smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cc(O)c([C@@H](C)CC[C@@H]2CO2)cc1O	ZINC000095576226	178196472	/nfs/dbraw/zinc/19/64/72/178196472.db2.gz	FULYBNTZVJWXBZ-WCBMZHEXSA-N	0	0	222.284	2.689	1	30		BFEFRN
Cc1cc2c(C#Cc3cccnc3)nc(C)cn2c1	ZINC000029125488	178278542	/nfs/dbraw/zinc/27/85/42/178278542.db2.gz	RBUNLEWRPDSPMK-UHFFFAOYSA-N	0	0	247.301	2.746	1	30		BFEFRN
CC(C=O)=NN=c1cc(C)c2ccccc2[nH]1	ZINC000005552769	187247851	/nfs/dbraw/zinc/24/78/51/187247851.db2.gz	OWARTMUKWKUDNB-XNTDXEJSSA-N	0	0	227.267	2.530	1	30		BFEFRN
C=C[C@@H]1OC(c2ccc(C)cc2)=N[C@H]1S	ZINC000028383409	187255997	/nfs/dbraw/zinc/25/59/97/187255997.db2.gz	SHTFVFWWLRULMZ-JQWIXIFHSA-N	0	0	219.309	2.582	1	30		BFEFRN
C=C1C(=O)O[C@H]2C/C(C)=C/CC[C@@]3(C)O[C@@H]3C[C@H]12	ZINC000028537334	290767642	/nfs/dbraw/zinc/76/76/42/290767642.db2.gz	RYQABBMOWVCVPW-CMFZEQLMSA-N	0	0	248.322	2.762	1	30	biogenic,in-vitro	BFEFRN
C=C(C)n1c2ccccc2n(C(=O)C(C)C)c1=O	ZINC000103204876	187363651	/nfs/dbraw/zinc/36/36/51/187363651.db2.gz	KDONHPSSWCDEAT-UHFFFAOYSA-N	0	0	244.294	2.590	1	30		BFEFRN
C=C(C)[C@@H](O)/C=C/c1ccccc1OC	ZINC000007992231	187363873	/nfs/dbraw/zinc/36/38/73/187363873.db2.gz	WSZSSUOYHWIWKN-BCPZQOPPSA-N	0	0	204.269	2.645	1	30		BFEFRN
C[C@@H]1CCC2=C(CO)C(=O)C[C@@H]3[C@H]([C@@H]21)C3(C)C	ZINC000034457785	290772291	/nfs/dbraw/zinc/77/22/91/290772291.db2.gz	CSYGBALGUZIIBA-KLPZLMTLSA-N	0	0	234.339	2.566	1	30	biogenic,in-vitro	BFEFRN
C=C1CC[C@@H](O)[C@]2(C)CC[C@H](C(=O)C(C)C)[C@@H]12	ZINC000038590261	187318585	/nfs/dbraw/zinc/31/85/85/187318585.db2.gz	OQRJYRPZPATIRR-JLNYLFASSA-N	0	0	236.355	2.955	1	30		BFEFRN
C=C(C)[C@H]1CC[C@@]2(C1)[C@H](C)C[C@@H](O)C[C@H]2C=O	ZINC000100778306	571827197	/nfs/dbraw/zinc/82/71/97/571827197.db2.gz	CEVNHRPKRNTGKO-GZBLMMOJSA-N	0	0	236.355	2.955	1	30	endogenous,in-man	BFEFRN
CCc1ncc(C#Cc2cccc(C)c2)cn1	ZINC000040834535	187702856	/nfs/dbraw/zinc/70/28/56/187702856.db2.gz	FXTFCPXQWTYWMG-UHFFFAOYSA-N	0	0	222.291	2.747	1	30		BFEFRN
CNC(=S)N=NC1C(=O)Nc2ccccc21	ZINC000013130022	187932762	/nfs/dbraw/zinc/93/27/62/187932762.db2.gz	LFMQSJKXWOAPPJ-BUHFOSPRSA-N	0	0	234.284	2.873	1	30		BFEFRN
CN1CC(C)(C)C/C1=N\C(=O)Nc1ccccc1	ZINC000169315567	187991131	/nfs/dbraw/zinc/99/11/31/187991131.db2.gz	TZKRIVFPADEHJJ-FOWTUZBSSA-N	0	0	245.326	2.979	1	30		BFEFRN
C=C(C)[C@H](O)/C=C\c1ccccc1OC	ZINC000073044233	188047816	/nfs/dbraw/zinc/04/78/16/188047816.db2.gz	WSZSSUOYHWIWKN-JLVNDZCYSA-N	0	0	204.269	2.645	1	30		BFEFRN
C=C1CC[C@H]2C(C)(C)[C@@H](O)CC[C@]2(C)[C@H]1CO	ZINC000015147927	188052387	/nfs/dbraw/zinc/05/23/87/188052387.db2.gz	PFTWUCXOLILHIQ-PWNZVWSESA-N	0	0	238.371	2.748	1	30		BFEFRN
O=C1C=Cc2c(Br)scc21	ZINC000001656430	188274291	/nfs/dbraw/zinc/27/42/91/188274291.db2.gz	SENZFQBCEOEZKS-UHFFFAOYSA-N	0	0	215.071	2.720	1	30		BFEFRN
CC(C)Cc1ccc(/C=C/C(=O)N(C)O)cc1	ZINC000026247923	188283195	/nfs/dbraw/zinc/28/31/95/188283195.db2.gz	JYEGBVJYCGZRIW-CMDGGOBGSA-N	0	0	233.311	2.746	1	30		BFEFRN
CC(NCCc1ccccc1)=C1C(=O)CCC1=O	ZINC000101565335	188322486	/nfs/dbraw/zinc/32/24/86/188322486.db2.gz	ZWKBAZUIPQSORY-LFIBNONCSA-N	0	0	243.306	2.865	1	30		BFEFRN
C/C1=C/CCC2=C[C@H](OC2=O)C(C)(C)/C=C\C1=O	ZINC000031158838	188358581	/nfs/dbraw/zinc/35/85/81/188358581.db2.gz	CAHQQYHQUHYOGU-WGGPUXJNSA-N	0	0	246.306	2.730	1	30		BFEFRN
C=C1C[C@@H](O)C=C(C)[C@@H]2[C@@H]1CC[C@@H](O)C2(C)C	ZINC000015262476	188407216	/nfs/dbraw/zinc/40/72/16/188407216.db2.gz	BQBQOPFBRCPZOA-AAVRWANBSA-N	0	0	236.355	2.667	1	30		BFEFRN
N#Cc1cccc(-c2ccn(-c3cccnc3)n2)c1	ZINC000103224473	181133938	/nfs/dbraw/zinc/13/39/38/181133938.db2.gz	HQMFIPBYRRZLDQ-UHFFFAOYSA-N	0	0	246.273	2.806	1	30		BFEFRN
C/C1=C/CCC2=C[C@H](OC2=O)C(C)(C)/C=C\C1=O	ZINC000031168627	200653245	/nfs/dbraw/zinc/65/32/45/200653245.db2.gz	CAHQQYHQUHYOGU-DCHWWWNVSA-N	0	0	246.306	2.730	1	30	biogenic,in-vitro	BFEFRN
O=C(Oc1ccccc1)[C@@H]1O[C@H]1c1ccccc1	ZINC000001762180	182610032	/nfs/dbraw/zinc/61/00/32/182610032.db2.gz	GBQMNXWHCORGMC-UONOGXRCSA-N	0	0	240.258	2.732	1	30		BFEFRN
O=c1c2ccccc2sn1/N=C/c1ccco1	ZINC000038998786	182989532	/nfs/dbraw/zinc/98/95/32/182989532.db2.gz	XVGLCFDLSPMSHD-MDWZMJQESA-N	0	0	244.275	2.538	1	30		BFEFRN
c1cc(NC2=NCCO2)cc(OC2CCCC2)c1	ZINC000040380152	183334141	/nfs/dbraw/zinc/33/41/41/183334141.db2.gz	TUHFRHYAWAJEDH-UHFFFAOYSA-N	0	0	246.310	2.615	1	30		BFEFRN
c1cc2c3c(cccc3c1)/C(=N/OC[C@H]1CO1)C2	ZINC000008576422	183374216	/nfs/dbraw/zinc/37/42/16/183374216.db2.gz	APUGRUXGWQEPQQ-GASGDFKYSA-N	0	0	239.274	2.515	1	30		BFEFRN
CC1=C2C=C[C@@]3(C)[C@H](O)CC[C@@H]3[C@@H]2CCC1=O	ZINC000029483454	168090341	/nfs/dbraw/zinc/09/03/41/168090341.db2.gz	NYVZYABSZXZXMK-QHSBEEBCSA-N	0	0	232.323	2.629	1	30		BFEFRN
CC1=CC(=O)CC(C)(C)/C1=C/C[C@H](C)O	ZINC000103142148	168091600	/nfs/dbraw/zinc/09/16/00/168091600.db2.gz	JHWWVZZGBLPJPW-PQTFEYQYSA-N	0	0	208.301	2.629	1	30		BFEFRN
CC1=C[C@H]2[C@@H](C(C)C)CC[C@@](C)(O)[C@H]2CC1=O	ZINC000034521955	168126947	/nfs/dbraw/zinc/12/69/47/168126947.db2.gz	XZKNRQNOZWYUMT-UKTARXLSSA-N	0	0	236.355	2.955	1	30		BFEFRN
CCOC(=O)c1cc(C#N)[nH]c1-c1ccsc1	ZINC000001657557	170291152	/nfs/dbraw/zinc/29/11/52/170291152.db2.gz	JFFCQHWBNOXQCT-UHFFFAOYSA-N	0	0	246.291	2.792	1	30		BFEFRN
CN1c2ccccc2/C(=N/c2ccccc2)C1=O	ZINC000034409395	172957714	/nfs/dbraw/zinc/95/77/14/172957714.db2.gz	LUEXNLDVPSVDKD-PEZBUJJGSA-N	0	0	236.274	2.784	1	30		BFEFRN
CO/N=C1/C=C(C#Cc2ccncc2)CCC1	ZINC000049088313	173492858	/nfs/dbraw/zinc/49/28/58/173492858.db2.gz	XULJGCFSMMZHOV-JQIJEIRASA-N	0	0	226.279	2.546	1	30		BFEFRN
COc1cc(/C=C/C(C)=C/C(C)=O)oc(=O)c1C	ZINC000072179178	174940258	/nfs/dbraw/zinc/94/02/58/174940258.db2.gz	QNRKTRKCMAQCAK-SBIWHPGTSA-N	0	0	248.278	2.505	1	30	in-vitro	BFEFRN
COc1ccc2[nH]c3c(c2c1)C(=O)C(C)=CC3=O	ZINC000038590743	175201592	/nfs/dbraw/zinc/20/15/92/175201592.db2.gz	NNYWFYCTKFMALH-UHFFFAOYSA-N	0	0	241.246	2.502	1	30		BFEFRN
COc1cccc(C2=CC(=O)CCC2)c1OC	ZINC000012479588	175248787	/nfs/dbraw/zinc/24/87/87/175248787.db2.gz	HQWOJNRCQAXCAU-UHFFFAOYSA-N	0	0	232.279	2.840	3	30		BFEFRN
C=C1[C@H]2C[C@@H]3CCC[C@]1(C)[C@@]3(C=O)[C@@H]2OC	ZINC000085546629	560070553	/nfs/dbraw/zinc/07/05/53/560070553.db2.gz	LWOXGOCDYCTVAW-MQLXINIDSA-N	0	0	220.312	2.583	1	30	biogenic,in-vitro	BFEFRN
C=C1[C@@H]2CC[C@@H](C2)[C@@]1(C)C/C=C/[C@@](C)(O)CO	ZINC000034639026	560086958	/nfs/dbraw/zinc/08/69/58/560086958.db2.gz	RDBBOGWMVIILJJ-DYIPYPEQSA-N	0	0	236.355	2.668	1	30	biogenic,in-vitro	BFEFRN
C=C1C(=O)O[C@@H]2/C=C(/C)CC[C@@H](O)C(=C)CC[C@@H]12	ZINC000005132481	560200807	/nfs/dbraw/zinc/20/08/07/560200807.db2.gz	JNHKVMWTQCZYHK-WCGRPHAJSA-N	0	0	248.322	2.522	1	30	in-vitro	BFEFRN
CC(=O)C1=C[C@@]2(C)[C@H](C)CCC[C@@H]2CC1=O	ZINC000014493258	571710510	/nfs/dbraw/zinc/71/05/10/571710510.db2.gz	XNORMQKITMTNGH-UDZFHETQSA-N	0	0	220.312	2.917	1	30	endogenous,in-man	BFEFRN
C=C1C(=O)O[C@@H]2C/C(C)=C\CC/C(C)=C\[C@H](O)[C@@H]12	ZINC000014453448	571708608	/nfs/dbraw/zinc/70/86/08/571708608.db2.gz	FRDLPOYYWWRSPZ-KFKFTGPASA-N	0	0	248.322	2.522	1	30	endogenous,in-man	BFEFRN
C=C(C)[C@@H]1CC[C@@]2(C1)C(CO)=CC(=O)C[C@@H]2C	ZINC000014714049	571720951	/nfs/dbraw/zinc/72/09/51/571720951.db2.gz	JPVDGXUSNAEUIC-ZOWXZIJZSA-N	0	0	234.339	2.877	1	30	endogenous,in-man	BFEFRN
CC(=O)C1=C[C@]2(C)[C@@H](C1)CCC(=O)[C@H]2C	ZINC000100772079	571814844	/nfs/dbraw/zinc/81/48/44/571814844.db2.gz	JJZRURWGJILXRH-DYLAAIIWSA-N	0	0	206.285	2.527	1	30	endogenous,in-man	BFEFRN
Cc1ccc(-c2c(C)c(C)nc(N)c2C#N)o1	ZINC000020058388	178315916	/nfs/dbraw/zinc/31/59/16/178315916.db2.gz	KYQQKHXCGMBDLE-UHFFFAOYSA-N	0	0	227.267	2.721	1	30		BFEFRN
C=C1C[C@]2(OC1=O)[C@@H]1CC[C@@H](C1)C2(C)C	ZINC000025983308	187206758	/nfs/dbraw/zinc/20/67/58/187206758.db2.gz	RMHOLYVZMZEYFM-CWSCBRNRSA-N	0	0	206.285	2.684	1	30		BFEFRN
C=C1C(=O)OC[C@@H]1CCC(C)=CC(=O)C=C(C)C	ZINC000013366314	187250913	/nfs/dbraw/zinc/25/09/13/187250913.db2.gz	WSKLYRKBPFVGEJ-KKNAONHISA-N	0	0	248.322	2.977	1	30	biogenic	BFEFRN
CC1=CCCC[C@H]1[C@@H]1C=CC(=O)[C@H](C)O1	ZINC000006037224	187249097	/nfs/dbraw/zinc/24/90/97/187249097.db2.gz	JJHADUXKXOHJIL-LOWVWBTDSA-N	0	0	206.285	2.645	1	30		BFEFRN
C=C(C)[C@H]1CC[C@@]2(C1)C(CO)=CC(=O)C[C@@H]2C	ZINC000062611959	571772407	/nfs/dbraw/zinc/77/24/07/571772407.db2.gz	JPVDGXUSNAEUIC-HUBLWGQQSA-N	0	0	234.339	2.877	1	30	endogenous,in-man	BFEFRN
C=C1C(=O)O[C@H](C)C[C@@H]1c1ccc([N+](=O)[O-])cc1	ZINC000045259396	187354691	/nfs/dbraw/zinc/35/46/91/187354691.db2.gz	WESMVXZGTWUUSN-PELKAZGASA-N	0	0	247.250	2.570	1	30		BFEFRN
C=C1C(=O)O[C@H]2C/C(C)=C/CC/C(C)=C/[C@@H](O)[C@H]12	ZINC000095910325	290767640	/nfs/dbraw/zinc/76/76/40/290767640.db2.gz	FRDLPOYYWWRSPZ-MXSOBKCTSA-N	0	0	248.322	2.522	1	30	biogenic,in-vitro	BFEFRN
CC1=C[C@H]2[C@H](C(C)C)CC[C@](C)(O)[C@H]2CC1=O	ZINC000095913773	290771056	/nfs/dbraw/zinc/77/10/56/290771056.db2.gz	XZKNRQNOZWYUMT-ABHRYQDASA-N	0	0	236.355	2.955	1	30	biogenic,in-vitro	BFEFRN
C[C@@H]1CCC=C2C(=O)C=C[C@@H](C(C)(C)O)[C@]21C	ZINC000014492457	290772292	/nfs/dbraw/zinc/77/22/92/290772292.db2.gz	CSSWGHXLDCLRSF-DGFSRKRXSA-N	0	0	234.339	2.875	1	30	biogenic,in-vitro	BFEFRN
Cc1cccc(NC(=O)/N=C2\CCCN2C)c1	ZINC000033956572	179124877	/nfs/dbraw/zinc/12/48/77/179124877.db2.gz	KPPUYCQSSNJGRN-NTCAYCPXSA-N	0	0	231.299	2.651	1	30		BFEFRN
Cc1nn(-c2ccc(Cl)cc2)cc1C#N	ZINC000096938394	180327982	/nfs/dbraw/zinc/32/79/82/180327982.db2.gz	SQUZQGLQFOQBJF-UHFFFAOYSA-N	0	0	217.659	2.706	1	30		BFEFRN
C=CC(F)(F)[C@H](Cc1ccccc1)NC(C)=O	ZINC000029547924	187546460	/nfs/dbraw/zinc/54/64/60/187546460.db2.gz	GZPRERVKBQINNQ-LBPRGKRZSA-N	0	0	239.265	2.555	1	30		BFEFRN
C[C@H]1CC(=O)C=C2[C@H]3O[C@H]3[C@H]3[C@H](C3(C)C)[C@@]21C	ZINC000040874097	187602718	/nfs/dbraw/zinc/60/27/18/187602718.db2.gz	VWHKRJDIXZCEGF-YAHBZEKOSA-N	0	0	232.323	2.581	1	30		BFEFRN
C=CCn1ncc2c1ncnc2SCCC	ZINC000028894699	187885174	/nfs/dbraw/zinc/88/51/74/187885174.db2.gz	QEXMSHWLLDGZLA-UHFFFAOYSA-N	0	0	234.328	2.514	1	30		BFEFRN
O=C1C2=C(CCCCC2)[C@@H]2CCCC[C@]12O	ZINC000001634596	187926222	/nfs/dbraw/zinc/92/62/22/187926222.db2.gz	UMFAPXWKPZXOEO-GXTWGEPZSA-N	0	0	220.312	2.751	1	30		BFEFRN
C=CCCCCCCCC#CC#CCO	ZINC000014722512	188254092	/nfs/dbraw/zinc/25/40/92/188254092.db2.gz	CENJVOWTHMJWMU-UHFFFAOYSA-N	0	0	204.313	2.902	1	30		BFEFRN
C1=C[C@]2(CO2)CO[C@@H]1CC1=CCCCC1	ZINC000027429259	188283209	/nfs/dbraw/zinc/28/32/09/188283209.db2.gz	BZBMWCMMBLYZMY-QWHCGFSZSA-N	0	0	206.285	2.601	1	30		BFEFRN
C[C@@H]1CC(=O)C=C(Nc2ccc([N+](=O)[O-])cc2)C1	ZINC000045348165	188297624	/nfs/dbraw/zinc/29/76/24/188297624.db2.gz	ILDDATJAXDSFJI-VIFPVBQESA-N	0	0	246.266	2.890	1	30		BFEFRN
CCCCCOC1=CC(=O)C(=O)c2ccccc21	ZINC000005820703	168723369	/nfs/dbraw/zinc/72/33/69/168723369.db2.gz	AIIWIVACBZYIRO-UHFFFAOYSA-N	0	0	244.290	3.000	1	30		BFEFRN
N#Cc1ccc([C@H]2CCCc3cncn32)c(F)c1	ZINC000103231349	181130154	/nfs/dbraw/zinc/13/01/54/181130154.db2.gz	SENWRDHZQKBEPY-CQSZACIVSA-N	0	0	241.269	2.820	1	30		BFEFRN
N#Cc1cccc(F)c1-c1nc2ncccc2o1	ZINC000169316008	181138775	/nfs/dbraw/zinc/13/87/75/181138775.db2.gz	DMKIYYFBDLZHDW-UHFFFAOYSA-N	0	0	239.209	2.901	1	30		BFEFRN
C=C(CO)[C@@H]1CC[C@@]2(C)CCC[C@@](C)(O)[C@H]2C1	ZINC000028463411	358442815	/nfs/dbraw/zinc/44/28/15/358442815.db2.gz	RMARCXQAHOJNRB-LXTVHRRPSA-N	0	0	238.371	2.892	1	30		BFEFRN
C/C1=C\CCC2=C[C@@H](OC2=O)C(C)(C)/C=C/C1=O	ZINC000034187531	219818789	/nfs/dbraw/zinc/81/87/89/219818789.db2.gz	CAHQQYHQUHYOGU-XPXANVHNSA-N	0	0	246.306	2.730	1	30		BFEFRN
O=c1[nH][nH]cc1C=Nc1ccc(Cl)cc1	ZINC000101822898	183253063	/nfs/dbraw/zinc/25/30/63/183253063.db2.gz	TZHJRNKWSPGTFP-LFYBBSHMSA-N	0	0	221.647	2.519	1	30		BFEFRN
O=C1Nc2ccccc2C1C=NN1CCCCC1	ZINC000008682373	183253524	/nfs/dbraw/zinc/25/35/24/183253524.db2.gz	BVWAKSKHKFCYJZ-XNTDXEJSSA-N	0	0	243.310	2.693	1	30		BFEFRN
C#CC#CCCCC/C=C/C(=O)NC[C@H](C)CC	ZINC000014825644	166109611	/nfs/dbraw/zinc/10/96/11/166109611.db2.gz	GVXYCOGZGQWTFZ-RDRICISKSA-N	0	0	245.366	2.902	1	30		BFEFRN
C#CCN(C)[C@H](C)[C@@H](F)c1ccccc1	ZINC000073160010	166160683	/nfs/dbraw/zinc/16/06/83/166160683.db2.gz	LUGLODFDTPSDMS-DGCLKSJQSA-N	0	0	205.276	2.651	1	30		BFEFRN
C#C[C@@H]1CC[C@@]2(C)C=CC(=O)[C@@H](C)[C@H]2C1	ZINC000031539450	166213766	/nfs/dbraw/zinc/21/37/66/166213766.db2.gz	WLJJVPSVSROSLC-SFTQSGBHSA-N	0	0	202.297	2.817	1	30		BFEFRN
CC1=C2CC(C)(C)C=C2C(=O)[C@](C)(O)C12CC2	ZINC000005766606	168089181	/nfs/dbraw/zinc/08/91/81/168089181.db2.gz	YHXLWSXPTJEXBW-AWEZNQCLSA-N	0	0	232.323	2.773	1	30		BFEFRN
CC1=C2CC[C@@]3(C)[C@H](CC[C@@H]3O)[C@@H]2CCC1=O	ZINC000029474588	168090966	/nfs/dbraw/zinc/09/09/66/168090966.db2.gz	DCEFUYKVMXITER-UXOAXIEHSA-N	0	0	234.339	2.853	1	30		BFEFRN
CC1=CC(=O)C(C(=O)C=Cc2ccccc2)C1=O	ZINC000101062074	168091346	/nfs/dbraw/zinc/09/13/46/168091346.db2.gz	DZCWMHWUNHNFIA-DZSZGWLZSA-N	0	0	240.258	2.610	1	30		BFEFRN
Cc1ccc2[nH]c3c(c2c1)C(=O)C(C)=CC3=O	ZINC000038867857	168092414	/nfs/dbraw/zinc/09/24/14/168092414.db2.gz	FGSYNXONCNEWTC-UHFFFAOYSA-N	0	0	225.247	2.802	1	30		BFEFRN
Cc1cc2c(c3c1C(=O)C(=O)C(C)=C3)[C@H](C)CO2	ZINC000015153803	168132850	/nfs/dbraw/zinc/13/28/50/168132850.db2.gz	LTOSSAVPMIKCBC-SECBINFHSA-N	0	0	242.274	2.660	1	30		BFEFRN
CCC(=N\O)/C(C)=C/c1ccc(F)nc1	ZINC000043206171	168197338	/nfs/dbraw/zinc/19/73/38/168197338.db2.gz	KZYMSANMAJGLBF-RCAAVWGTSA-N	0	0	208.236	2.864	1	30		BFEFRN
CCON=CNc1ccc(OCC)c(C)c1	ZINC000005863545	170460852	/nfs/dbraw/zinc/46/08/52/170460852.db2.gz	CMXIVYNDJJKVRN-UHFFFAOYSA-N	0	0	222.288	2.595	1	30		BFEFRN
COc1ccc(/C=N/OCC(C)C)cc1	ZINC000072182922	175049141	/nfs/dbraw/zinc/04/91/41/175049141.db2.gz	ZLIRXGQCWKPZDR-MDWZMJQESA-N	0	0	207.273	2.702	1	30		BFEFRN
COc1cccc2c1[nH]c1c2C(=O)C(C)=CC1=O	ZINC000034375538	175306394	/nfs/dbraw/zinc/30/63/94/175306394.db2.gz	REFFAWFESUQQGX-UHFFFAOYSA-N	0	0	241.246	2.502	1	30		BFEFRN
CC(=O)/C=C/c1cncc2c1CC[C@H]2C	ZINC000033832897	560088102	/nfs/dbraw/zinc/08/81/02/560088102.db2.gz	GFEIYWSBRLRYJI-XNPJLODASA-N	0	0	201.269	2.734	1	30	biogenic,in-vitro	BFEFRN
C[S@](=O)CCCCCCCCC#N	ZINC000014589128	560222632	/nfs/dbraw/zinc/22/26/32/560222632.db2.gz	XGRYRNQISNOEGY-CYBMUJFWSA-N	0	0	201.335	2.619	1	30	in-vitro	BFEFRN
C/C=C\C#CC#CCCCOC(=O)CC(C)C	ZINC000013433981	571701402	/nfs/dbraw/zinc/70/14/02/571701402.db2.gz	KWRUHFXUFNAAJG-PLNGDYQASA-N	0	0	232.323	2.939	1	30	endogenous,in-man	BFEFRN
C=C(C)[C@@H]1CC[C@]2(C1)C(CO)=CC(=O)C[C@@H]2C	ZINC000014714045	571720923	/nfs/dbraw/zinc/72/09/23/571720923.db2.gz	JPVDGXUSNAEUIC-YWPYICTPSA-N	0	0	234.339	2.877	1	30	endogenous,in-man	BFEFRN
C=C(C)[C@H]1CC[C@@]2(C1)[C@H](C)CC(=O)C[C@H]2CO	ZINC000085912823	571791480	/nfs/dbraw/zinc/79/14/80/571791480.db2.gz	YKAYVNCAHDGJNI-UKTARXLSSA-N	0	0	236.355	2.957	1	30	endogenous,in-man	BFEFRN
C=C(C)[C@H]1CC[C@@]2(C1)[C@@H](C)CC(=O)C[C@@H]2CO	ZINC000085912821	571791545	/nfs/dbraw/zinc/79/15/45/571791545.db2.gz	YKAYVNCAHDGJNI-RMRHIDDWSA-N	0	0	236.355	2.957	1	30	endogenous,in-man	BFEFRN
C=C1[C@H]2CC[C@@H](C(C)=O)[C@@H]2[C@@H](C(C)C)C[C@H]1O	ZINC000085887582	574416851	/nfs/dbraw/zinc/41/68/51/574416851.db2.gz	JNIVOKDEGVTPPC-XLWJZTARSA-N	0	0	236.355	2.811	1	30	endogenous,in-man	BFEFRN
[N-]=[N+]=Nc1ccc(C(=O)Cn2ccnc2)cc1	ZINC000027300034	187254526	/nfs/dbraw/zinc/25/45/26/187254526.db2.gz	ASANKGQBNYJXNA-UHFFFAOYSA-N	0	0	227.227	2.708	1	30		BFEFRN
FC(F)(F)c1cc(C#Cc2ccccc2)ncn1	ZINC000585145029	343880471	/nfs/dbraw/zinc/88/04/71/343880471.db2.gz	TUYPDXSNHBYAAG-UHFFFAOYSA-N	0	0	248.207	2.895	2	30		BFEFRN
C=C(C)C(=O)NC(C)(C)c1ccccc1	ZINC000096935124	187361675	/nfs/dbraw/zinc/36/16/75/187361675.db2.gz	DSQPAOPPZGPRLV-UHFFFAOYSA-N	0	0	203.285	2.614	1	30		BFEFRN
COCc1cccc(C#Cc2cccc(C)n2)c1	ZINC000095607447	187362406	/nfs/dbraw/zinc/36/24/06/187362406.db2.gz	OCPXWGYPEFSLKQ-UHFFFAOYSA-N	0	0	237.302	2.936	1	30		BFEFRN
CC#CC#CC#Cc1cc(Cl)ccc1OC	ZINC000013386152	290768765	/nfs/dbraw/zinc/76/87/65/290768765.db2.gz	RRAILGVSQOBWBZ-UHFFFAOYSA-N	0	0	228.678	2.727	1	30	biogenic,in-vitro	BFEFRN
C=CC[C@@](C)(NCc1ccccc1)C(=O)OCC	ZINC000008860537	187363492	/nfs/dbraw/zinc/36/34/92/187363492.db2.gz	JVVBWBWAPOGFBN-OAHLLOKOSA-N	0	0	247.338	2.674	1	30		BFEFRN
C=C(C)[C@@H](O)/C=C/c1ccc(OC)cc1	ZINC000007992458	187363809	/nfs/dbraw/zinc/36/38/09/187363809.db2.gz	OJNLKIJZNKOQNU-PPGNKHEKSA-N	0	0	204.269	2.645	1	30		BFEFRN
C=CCc1cc2cccc(OC)c2oc1=O	ZINC000001616469	187364311	/nfs/dbraw/zinc/36/43/11/187364311.db2.gz	ODWJIUIFVONHIB-UHFFFAOYSA-N	0	0	216.236	2.530	1	30		BFEFRN
CC(C)(C)OC(=O)C(O)=CC(=O)c1ccccc1	ZINC000101510043	187630533	/nfs/dbraw/zinc/63/05/33/187630533.db2.gz	MAUPBVAGMVTSHF-XFXZXTDPSA-N	0	0	248.278	2.653	1	30		BFEFRN
C=C[C@H]1[C@H]2COC(C)(C)O[C@@H]2CC(=O)C1(C)C	ZINC000005742406	187711533	/nfs/dbraw/zinc/71/15/33/187711533.db2.gz	GUFZQMXEDAJEQU-OUAUKWLOSA-N	0	0	238.327	2.555	1	30		BFEFRN
CC(=O)N(C)c1ccc(/N=C/c2ccc[nH]2)cc1	ZINC000000225412	187985392	/nfs/dbraw/zinc/98/53/92/187985392.db2.gz	YGPGPBKGOJDGCB-MHWRWJLKSA-N	0	0	241.294	2.748	1	30		BFEFRN
C=CC[C@H](OC(C)=O)c1ccc(OC(C)=O)cc1	ZINC000028336612	188234084	/nfs/dbraw/zinc/23/40/84/188234084.db2.gz	FYEOMVMZJLXHAG-AWEZNQCLSA-N	0	0	248.278	2.792	1	30		BFEFRN
C=C[C@@H](c1ccccc1)C1=CC(=O)C=CC1=O	ZINC000008214929	188253609	/nfs/dbraw/zinc/25/36/09/188253609.db2.gz	GHCDJBVCFINEBQ-ZDUSSCGKSA-N	0	0	224.259	2.591	3	30	in-vitro	BFEFRN
CC(C)[C@@H]1CC[C@@H](C)[C@]2(O)CCC(=O)C=C12	ZINC000035994096	188255370	/nfs/dbraw/zinc/25/53/70/188255370.db2.gz	QSCUHKDLNLVMNB-SCDSUCTJSA-N	0	0	222.328	2.709	1	30		BFEFRN
CC(/C=C/C(=O)NO)=C\c1ccc(Cl)cc1	ZINC000026494617	188283080	/nfs/dbraw/zinc/28/30/80/188283080.db2.gz	QTJGIAKMPQMBBB-BRTFRICFSA-N	0	0	237.686	2.805	1	30		BFEFRN
CC1=COC2=C(C)C(=O)C(=O)c3cccc1c32	ZINC000028565032	188283746	/nfs/dbraw/zinc/28/37/46/188283746.db2.gz	YREHARQHCMLSJF-UHFFFAOYSA-N	0	0	226.231	2.574	1	30		BFEFRN
CC(=O)/C=C/[C@H]1[C@H](C)C[C@H](O)CC1(C)C	ZINC000096922663	188322057	/nfs/dbraw/zinc/32/20/57/188322057.db2.gz	FEQPLOLFLKUQNO-KQKLDACOSA-N	0	0	210.317	2.565	1	30		BFEFRN
C/C=C/C(C)=N\NC1=NCCc2ccccc21	ZINC000169326608	188338730	/nfs/dbraw/zinc/33/87/30/188338730.db2.gz	FLYTWYHTQOLZFV-KCFSPJGKSA-N	0	0	227.311	2.531	1	30		BFEFRN
N#CC1(C#N)[C@@H]2C=C[C@@H](C2)[C@]1(Cl)C(F)(F)F	ZINC000004615490	181028053	/nfs/dbraw/zinc/02/80/53/181028053.db2.gz	KRHAKENVBIAMEX-BKPPORCPSA-N	0	0	246.619	2.766	2	30		BFEFRN
O=C(NO)[C@H](Cc1ccccc1)c1ccccc1	ZINC000045291616	182279550	/nfs/dbraw/zinc/27/95/50/182279550.db2.gz	SZZUTOJFUFBUFD-CQSZACIVSA-N	0	0	241.290	2.518	1	30		BFEFRN
Oc1ccc(O)c(C=NNc2ccccc2)c1	ZINC000026262984	183276333	/nfs/dbraw/zinc/27/63/33/183276333.db2.gz	ZYHUQTHEVMVSRS-NTEUORMPSA-N	0	0	228.251	2.544	1	30		BFEFRN
CCCc1cc(-c2ccccc2)nc(C#N)n1	ZINC000049553023	169562012	/nfs/dbraw/zinc/56/20/12/169562012.db2.gz	IUPDRSKJKKTVKP-UHFFFAOYSA-N	0	0	223.279	2.968	1	30	in-vivo	BFEFRN
C#CC#CCCCC/C=C\C(=O)NCC(C)C	ZINC000034259677	166108030	/nfs/dbraw/zinc/10/80/30/166108030.db2.gz	YKYOIMJLSMZUBA-QXMHVHEDSA-N	0	0	231.339	2.512	1	30		BFEFRN
C#CC#CCCCC/C=C/C(=O)NCC(C)C	ZINC000014825643	166108036	/nfs/dbraw/zinc/10/80/36/166108036.db2.gz	YKYOIMJLSMZUBA-VAWYXSNFSA-N	0	0	231.339	2.512	1	30		BFEFRN
C(#Cc1ccccc1)c1n[nH]c2ccccc12	ZINC000066263423	166226263	/nfs/dbraw/zinc/22/62/63/166226263.db2.gz	PBVODLIVAWFCPQ-UHFFFAOYSA-N	0	0	218.259	2.963	1	30		BFEFRN
C=CCNC(=O)c1cnc2c(C)csc2c1	ZINC000072322875	166394880	/nfs/dbraw/zinc/39/48/80/166394880.db2.gz	BKIUVQLCNZBZIJ-UHFFFAOYSA-N	0	0	232.308	2.521	2	30		BFEFRN
CC1=C2C=C[C@]3(C)[C@H](CC[C@@H]3O)[C@@H]2CCC1=O	ZINC000029483448	168089122	/nfs/dbraw/zinc/08/91/22/168089122.db2.gz	NYVZYABSZXZXMK-RJZRQDKASA-N	0	0	232.323	2.629	1	30		BFEFRN
CC1=C2CC[C@]3(C)[C@H](O)CC[C@@H]3[C@@H]2CCC1=O	ZINC000029474595	168090701	/nfs/dbraw/zinc/09/07/01/168090701.db2.gz	DCEFUYKVMXITER-GBOPCIDUSA-N	0	0	234.339	2.853	1	30		BFEFRN
Cc1ccc2c3c1C(=O)C(=O)C(C)=C3OC[C@H]2C	ZINC000006071466	168090853	/nfs/dbraw/zinc/09/08/53/168090853.db2.gz	SYWTYRLIJCHSLJ-MRVPVSSYSA-N	0	0	242.274	2.625	1	30	biogenic,in-vitro	BFEFRN
CCOC(=O)CO/N=C(C)/C=C/c1ccccc1	ZINC000049088193	170228014	/nfs/dbraw/zinc/22/80/14/170228014.db2.gz	XPXMPFKNULUKCP-MKQCFFQWSA-N	0	0	247.294	2.655	1	30		BFEFRN
CN1CCC/C1=N\C(=S)Nc1ccccc1	ZINC000139148565	173002607	/nfs/dbraw/zinc/00/26/07/173002607.db2.gz	IVTOMLQSULMSJG-SDNWHVSQSA-N	0	0	233.340	2.508	1	30		BFEFRN
CO/N=C1/C=C(C#Cc2ccccn2)CCC1	ZINC000049088570	173492906	/nfs/dbraw/zinc/49/29/06/173492906.db2.gz	VOZQUPARIPFLGF-JQIJEIRASA-N	0	0	226.279	2.546	1	30		BFEFRN
COC1=CC(=O)c2ccc3ccccc3c2C1=O	ZINC000001611275	174014210	/nfs/dbraw/zinc/01/42/10/174014210.db2.gz	BTIQIBXDCYXMBX-UHFFFAOYSA-N	0	0	238.242	2.749	1	30	biogenic,in-vitro	BFEFRN
COc1ccccc1/C=N/Cc1cccnc1	ZINC000103286306	175315261	/nfs/dbraw/zinc/31/52/61/175315261.db2.gz	DJGXTYYHRBKINB-LFIBNONCSA-N	0	0	226.279	2.709	1	30		BFEFRN
C[C@@H]1CCC[C@@]2(C)[C@H](c3ccoc3)C(=O)[C@H]3O[C@@]312	ZINC000034507651	176134615	/nfs/dbraw/zinc/13/46/15/176134615.db2.gz	XIVJRKHWYOXSOV-JIQWVAHOSA-N	0	0	246.306	2.910	1	30		BFEFRN
C=C(C)[C@@H]1C[C@H](C)[C@@H]2CC[C@@H](O)[C@@]3(C)O[C@@]23C1	ZINC000095914087	560056109	/nfs/dbraw/zinc/05/61/09/560056109.db2.gz	FPAJRRSIWPSYOP-QAIIKZMUSA-N	0	0	236.355	2.907	1	30	biogenic,in-vitro	BFEFRN
Oc1ccccc1/C=N\Cc1ccccc1O	ZINC000017161978	560090959	/nfs/dbraw/zinc/09/09/59/560090959.db2.gz	UASXFKHZBZLKLY-DHDCSXOGSA-N	0	0	227.263	2.717	1	30	biogenic,in-vitro	BFEFRN
CC(=O)/C=C/C1=C(C)[C@@H](O)CCC1(C)C	ZINC000014487660	560221798	/nfs/dbraw/zinc/22/17/98/560221798.db2.gz	LICNQDPDQQOXCU-FYJFLYSWSA-N	0	0	208.301	2.629	1	30	biogenic,in-vitro	BFEFRN
C[C@H]1[C@@H]2CC[C@@]3(C)CC(=O)C=C(C[C@@]1(C)O)[C@@H]23	ZINC000014616434	560223272	/nfs/dbraw/zinc/22/32/72/560223272.db2.gz	YVDIKOYRFZVBOY-XOKYVNOHSA-N	0	0	234.339	2.709	1	30	biogenic,in-vitro	BFEFRN
CC1=CC[C@]2(CC1=O)[C@H](C)C[C@H](O)[C@@H]2C(C)C	ZINC000014442525	571706451	/nfs/dbraw/zinc/70/64/51/571706451.db2.gz	ADNFCKCPNFGLCH-DHMWGJHJSA-N	0	0	236.355	2.955	1	30	endogenous,in-man	BFEFRN
C[C@]12CC[C@H]3[C@@H](CC3(C)C)C(=O)CC[C@@H]1O2	ZINC000100780996	571834342	/nfs/dbraw/zinc/83/43/42/571834342.db2.gz	UETZJEZFLKASPR-IHOMSZDFSA-N	0	0	222.328	2.949	1	30	endogenous,in-man	BFEFRN
C=C1Cc2occ(C)c2C(=O)[C@]2(O)[C@H](C)CC[C@@H]12	ZINC000230092318	571853161	/nfs/dbraw/zinc/85/31/61/571853161.db2.gz	CKDRPCYJCDMPFO-ZETOZRRWSA-N	0	0	246.306	2.660	1	30	endogenous,in-man	BFEFRN
C=C(C)[C@@H]1CC[C@@]2(C1)C(CO)=CC(=O)C[C@H]2C	ZINC000014714047	574413637	/nfs/dbraw/zinc/41/36/37/574413637.db2.gz	JPVDGXUSNAEUIC-JMSVASOKSA-N	0	0	234.339	2.877	1	30	endogenous,in-man	BFEFRN
C=C1C(=O)O[C@@H]2C[C@@]3(C)O[C@@H]3CC/C(C)=C\C[C@@H]12	ZINC000015160610	574413838	/nfs/dbraw/zinc/41/38/38/574413838.db2.gz	ACDBVOJKXAGTJM-QQQZQSCMSA-N	0	0	248.322	2.762	1	30	endogenous,in-man	BFEFRN
C=C1C(=O)O[C@H]2C[C@@]3(C)O[C@@H]3CC/C(C)=C\C[C@@H]12	ZINC000015160612	574413847	/nfs/dbraw/zinc/41/38/47/574413847.db2.gz	ACDBVOJKXAGTJM-CSMAYUGQSA-N	0	0	248.322	2.762	1	30	endogenous,in-man	BFEFRN
CC#Cc1c(C)cc2c3ccccc3[nH]c(=O)n12	ZINC000029232473	187208412	/nfs/dbraw/zinc/20/84/12/187208412.db2.gz	JYLQLAVGCTZLSW-UHFFFAOYSA-N	0	0	236.274	2.873	1	30		BFEFRN
C=C1C[C@@H](O)C=C(C)[C@H]2[C@H]1CC[C@@H](O)C2(C)C	ZINC000036373636	187249290	/nfs/dbraw/zinc/24/92/90/187249290.db2.gz	BQBQOPFBRCPZOA-RQJABVFESA-N	0	0	236.355	2.667	1	30		BFEFRN
C[C@@]12C[C@@H]1CC(C)(C)C[C@@]13O[C@]1(C)C(=O)C=C23	ZINC000013382372	187250265	/nfs/dbraw/zinc/25/02/65/187250265.db2.gz	MPKJWXWMWZURIW-MOZUYYIMSA-N	0	0	232.323	2.869	1	30		BFEFRN
C(#Cc1cc(C2CC2)ncn1)c1ccccc1	ZINC000585144810	343879893	/nfs/dbraw/zinc/87/98/93/343879893.db2.gz	HERHDKZMPCUDJZ-UHFFFAOYSA-N	0	0	220.275	2.754	2	30		BFEFRN
C=C(C)[C@H]1CC[C@]2(C1)[C@H](CO)CC(=O)C[C@@H]2C	ZINC000085912825	571791363	/nfs/dbraw/zinc/79/13/63/571791363.db2.gz	YKAYVNCAHDGJNI-PWNZVWSESA-N	0	0	236.355	2.957	1	30	endogenous,in-man	BFEFRN
O=C1c2cccc3cccc(c32)C=C1[N+](=O)[O-]	ZINC000078583110	187280985	/nfs/dbraw/zinc/28/09/85/187280985.db2.gz	NYEBMUGPMLUXNV-UHFFFAOYSA-N	0	0	225.203	2.654	1	30		BFEFRN
C(#Cc1nccc2sccc21)Cn1ccnc1	ZINC000585145298	344180410	/nfs/dbraw/zinc/18/04/10/344180410.db2.gz	LUJAASDQVKINTQ-UHFFFAOYSA-N	0	0	239.303	2.545	2	30		BFEFRN
C(#Cc1nc2ccccc2s1)Cn1cccn1	ZINC000585145299	344180436	/nfs/dbraw/zinc/18/04/36/344180436.db2.gz	LVDMXZFXRURXMP-UHFFFAOYSA-N	0	0	239.303	2.545	2	30		BFEFRN
C=C(C)[C@H]1Oc2cc(C(C)=O)c(O)cc2[C@@H]1OC	ZINC000013305524	290767341	/nfs/dbraw/zinc/76/73/41/290767341.db2.gz	AQYMPYYJWAIFLS-KGLIPLIRSA-N	0	0	248.278	2.619	1	30	biogenic,in-vitro	BFEFRN
CCCCC(=O)/C=C/C=C/C(=O)N1CCCCC1	ZINC000014619232	290771217	/nfs/dbraw/zinc/77/12/17/290771217.db2.gz	WSNYQSDXCCPJJP-YOYBCKCWSA-N	0	0	249.354	2.871	1	30	biogenic,in-vitro	BFEFRN
Cc1nn(-c2cccc(Cl)c2)cc1C#N	ZINC000096938390	180329375	/nfs/dbraw/zinc/32/93/75/180329375.db2.gz	XXKCXCMXIDUNCT-UHFFFAOYSA-N	0	0	217.659	2.706	1	30		BFEFRN
CCCCCCCCC[C@H](O)CNC(C)=O	ZINC000096913207	168651431	/nfs/dbraw/zinc/65/14/31/168651431.db2.gz	XAXBRBPUKYGRTP-ZDUSSCGKSA-N	0	0	229.364	2.624	1	30		BFEFRN
Cn1c(C#N)ccc1-c1ccc2c(c1)CC[C@@H]2O	ZINC000045302412	180613599	/nfs/dbraw/zinc/61/35/99/180613599.db2.gz	YJOXGGIBRYUHOB-HNNXBMFYSA-N	0	0	238.290	2.543	1	30		BFEFRN
C#CCN(CCF)[C@H](C)Cc1ccccc1	ZINC000073160008	188047683	/nfs/dbraw/zinc/04/76/83/188047683.db2.gz	ZKSBNFGJRLFTMX-CYBMUJFWSA-N	0	0	219.303	2.522	1	30		BFEFRN
C=C(C)[C@@H]1CCC(=C)[C@H](O)CCC(=C)[C@@H](O)C1	ZINC000015255489	188051987	/nfs/dbraw/zinc/05/19/87/188051987.db2.gz	LFGFKWGAGHTKPW-KFWWJZLASA-N	0	0	236.355	2.977	1	30		BFEFRN
C=C1C(=O)O[C@H](C)C[C@H]1c1ccccc1OC	ZINC000045253597	188044318	/nfs/dbraw/zinc/04/43/18/188044318.db2.gz	RBWQIKWOOAVWMZ-BXKDBHETSA-N	0	0	232.279	2.670	1	30		BFEFRN
C=C1C(=O)O[C@H]2C[C@H](C)C(CCC(C)=O)=CC[C@H]12	ZINC000029126060	188234005	/nfs/dbraw/zinc/23/40/05/188234005.db2.gz	AVFIYMSJDDGDBQ-FZZIBODNSA-N	0	0	248.322	2.810	1	30	biogenic	BFEFRN
C=CC(=O)c1ccc(NC(=O)CCC)cc1	ZINC000028863319	188283772	/nfs/dbraw/zinc/28/37/72/188283772.db2.gz	VZOOAXQUMUTSLY-UHFFFAOYSA-N	0	0	217.268	2.794	1	30		BFEFRN
C=C[C@@]1(C)CC2=C(C[C@H]1C(=C)C)[C@@H](O)C=C[C@@H]2O	ZINC000029041918	188302176	/nfs/dbraw/zinc/30/21/76/188302176.db2.gz	SQXTYAWGCAPKAP-VGWMRTNUSA-N	0	0	246.350	2.753	1	30		BFEFRN
N#Cc1cccc(-n2cnc(-c3cccnc3)c2)c1	ZINC000103224481	188324187	/nfs/dbraw/zinc/32/41/87/188324187.db2.gz	BNUVPUVPVYTIFV-UHFFFAOYSA-N	0	0	246.273	2.806	1	30		BFEFRN
C=C1CC[C@]23O[C@@]2(C)CCC2=C(C)C(=O)O[C@@H]2[C@@H]13	ZINC000039020797	188369712	/nfs/dbraw/zinc/36/97/12/188369712.db2.gz	FPCDZVJZOZOVPM-PAPYEOQZSA-N	0	0	246.306	2.516	1	30		BFEFRN
N#Cc1cccc(C2=NOCc3ccccc32)c1	ZINC000103185949	181136571	/nfs/dbraw/zinc/13/65/71/181136571.db2.gz	JCHDHKBFHCPOHV-UHFFFAOYSA-N	0	0	234.258	2.841	1	30		BFEFRN
N#Cc1cccnc1Nc1cccnc1Cl	ZINC000084672252	181154306	/nfs/dbraw/zinc/15/43/06/181154306.db2.gz	QPNXURSCXRENGF-UHFFFAOYSA-N	0	0	230.658	2.745	1	30		BFEFRN
CCCCC[C@H]1C(=O)C=C[C@H]1CC(=O)OC	ZINC000101525726	168746429	/nfs/dbraw/zinc/74/64/29/168746429.db2.gz	PIVSLSVPWXCWFO-WDEREUQCSA-N	0	0	224.300	2.501	1	30		BFEFRN
O=C(NO)c1cc2ccc(Cl)cc2s1	ZINC000014980438	182280736	/nfs/dbraw/zinc/28/07/36/182280736.db2.gz	DJTXCACFMWXOPY-UHFFFAOYSA-N	0	0	227.672	2.674	1	30		BFEFRN
O=C1CCOc2nc(C#CC3CCCC3)ccc21	ZINC000066079027	182744445	/nfs/dbraw/zinc/74/44/45/182744445.db2.gz	XIWPULFTGOZCOX-UHFFFAOYSA-N	0	0	241.290	2.589	1	30		BFEFRN
C[C@@H]1C(=O)C=CN2c3ccccc3CC[C@@H]12	ZINC000000022626	132312264	/nfs/dbraw/zinc/31/22/64/132312264.db2.gz	FBWAJLPTZNQDAJ-JQWIXIFHSA-N	0	0	213.280	2.540	1	30		BFEFRN
C=CCNC(=O)/C(C)=C(\C)c1ccc(OC)cc1	ZINC000111367295	166361337	/nfs/dbraw/zinc/36/13/37/166361337.db2.gz	ACGWJTQJPVCLTG-VAWYXSNFSA-N	0	0	245.322	2.791	1	30		BFEFRN
CC1(C)CC(=O)C=C(N[C@H]2CCC[C@@H](O)C2)C1	ZINC000103341449	167889068	/nfs/dbraw/zinc/88/90/68/167889068.db2.gz	NVAPZHNEFJMOAG-CXLKBUJLSA-N	0	0	237.343	2.993	1	30		BFEFRN
CC1=C2[C@@H]3[C@H](CC[C@H](C)[C@]2(O)CC1=O)C3(C)C	ZINC000014443089	168091720	/nfs/dbraw/zinc/09/17/20/168091720.db2.gz	ZBZKCPGSZOLGGP-LGRMDKJXSA-N	0	0	234.339	2.709	1	30		BFEFRN
Cc1ccc2[nH]c3c(c2c1)C(=O)C=C(C)C3=O	ZINC000034375550	168092642	/nfs/dbraw/zinc/09/26/42/168092642.db2.gz	BYYLBVVFULQTJI-UHFFFAOYSA-N	0	0	225.247	2.802	1	30		BFEFRN
COC1=C(C=Nc2ccccc2)OC(=O)C1	ZINC000101711504	175006622	/nfs/dbraw/zinc/00/66/22/175006622.db2.gz	PWIONTSYMQKFMN-MDWZMJQESA-N	0	0	217.224	2.744	1	30		BFEFRN
COc1ccc(/C(=N/O)NC2CCCCC2)cc1	ZINC000072101492	175046036	/nfs/dbraw/zinc/04/60/36/175046036.db2.gz	ODMUYJGOPGLYIH-UHFFFAOYSA-N	0	0	248.326	2.753	1	30		BFEFRN
COc1ccc(C(=O)/C=C/c2cccn2C)cc1	ZINC000169323645	175052660	/nfs/dbraw/zinc/05/26/60/175052660.db2.gz	GABAAHLQKQOULX-JXMROGBWSA-N	0	0	241.290	2.930	1	30		BFEFRN
C=C1CC[C@H]2O[C@]2(C)CC[C@@H]2[C@@H]1C[C@@]2(C)CO	ZINC000034457948	560087327	/nfs/dbraw/zinc/08/73/27/560087327.db2.gz	XLKXIWMHACWINL-ARILJUKYSA-N	0	0	236.355	2.909	1	30	biogenic,in-vitro	BFEFRN
C=C1CC[C@@H](C(C)C)[C@H]2[C@H]1CC[C@](C)(O)[C@H]2O	ZINC000095909942	560059314	/nfs/dbraw/zinc/05/93/14/560059314.db2.gz	DQVXKPUFGSPUGZ-YTFOTSKYSA-N	0	0	238.371	2.747	1	30	biogenic,in-vitro	BFEFRN
C[C@]12CCC(=O)C=C1CCc1ccc(O)cc12	ZINC000003978387	560192524	/nfs/dbraw/zinc/19/25/24/560192524.db2.gz	NPJWANZASAIMBS-HNNXBMFYSA-N	0	0	228.291	2.885	3	30	in-vitro	BFEFRN
C=C(C)[C@@H]1CC[C@@]2(C)C[C@@H](O)C[C@@](C)(O)[C@@H]2C1	ZINC000015208849	560229289	/nfs/dbraw/zinc/22/92/89/560229289.db2.gz	BIIOUOJJWZXURZ-ARILJUKYSA-N	0	0	238.371	2.891	1	30	biogenic,in-vitro	BFEFRN
CC(=O)C1=C[C@@]2(C)[C@H](CCC[C@@H]2C)CC1=O	ZINC000034521087	571751983	/nfs/dbraw/zinc/75/19/83/571751983.db2.gz	XNORMQKITMTNGH-DRCTWCGVSA-N	0	0	220.312	2.917	1	30	endogenous,in-man	BFEFRN
CS/C=C\C#C/C=C1\C=C[C@@]2(CCCO2)O1	ZINC000014593667	574413562	/nfs/dbraw/zinc/41/35/62/574413562.db2.gz	SOSDBVUESBQTDG-RWHNDLMHSA-N	0	0	234.320	2.844	1	30	endogenous,in-man	BFEFRN
CC(=O)ON(Cc1ccccc1)c1ccccn1	ZINC000073168962	187277397	/nfs/dbraw/zinc/27/73/97/187277397.db2.gz	GFKDCJSICRZTCZ-UHFFFAOYSA-N	0	0	242.278	2.566	1	30		BFEFRN
C=C(C)[C@@H]1CC[C@@]2(C)[C@H](O)CC[C@@](C)(O)[C@@H]2C1	ZINC000040876053	187354795	/nfs/dbraw/zinc/35/47/95/187354795.db2.gz	LGKGTMWCBFNQHP-KJWHEZOQSA-N	0	0	238.371	2.891	1	30	biogenic,in-vitro	BFEFRN
CC(=O)C(=C(N)c1ccco1)c1ccccc1	ZINC000096909025	187289997	/nfs/dbraw/zinc/28/99/97/187289997.db2.gz	PZJGMCDQRUFQDN-BUHFOSPRSA-N	0	0	227.263	2.696	1	30		BFEFRN
Cc1coc2c1C[C@H]1O[C@@]1(C)CC[C@H]1O[C@]1(C)C2	ZINC000005663085	187299904	/nfs/dbraw/zinc/29/99/04/187299904.db2.gz	FNQFNSGVMLMZNV-APIJFGDWSA-N	0	0	248.322	2.782	1	30	in-man	BFEFRN
Cc1nc(C#Cc2ccc(F)cc2)cs1	ZINC000013680867	187363743	/nfs/dbraw/zinc/36/37/43/187363743.db2.gz	UUKQDEMVLZEXPO-UHFFFAOYSA-N	0	0	217.268	2.990	1	30	in-vivo	BFEFRN
CC1(C)COC2=C(C1)C(=O)C(=O)c1ccccc12	ZINC000002245248	290769969	/nfs/dbraw/zinc/76/99/69/290769969.db2.gz	GAQRLJKQPBBUSK-UHFFFAOYSA-N	0	0	242.274	2.610	1	30	biogenic,in-vitro	BFEFRN
Cc1cccc(C)c1NC(=S)/N=C\N(C)C	ZINC000100256480	179043860	/nfs/dbraw/zinc/04/38/60/179043860.db2.gz	RCEUKHCFPMGACT-JYRVWZFOSA-N	0	0	235.356	2.590	1	30		BFEFRN
Cc1nn(-c2ccccc2)c(-n2cccc2)c1C#N	ZINC000008912289	180329403	/nfs/dbraw/zinc/32/94/03/180329403.db2.gz	CCANBRBJFHMSOA-UHFFFAOYSA-N	0	0	248.289	2.843	1	30		BFEFRN
C=C1CCc2c1c1oc(=O)c(C=O)c-1ccc2C	ZINC000006071299	188051962	/nfs/dbraw/zinc/05/19/62/188051962.db2.gz	PATCUDSVUMFCMB-UHFFFAOYSA-N	0	0	240.258	2.825	1	30	endogenous,in-man	BFEFRN
C=C[C@@]1(C)CC2=C(C[C@H]1C(=C)C)[C@H](O)C=C[C@H]2O	ZINC000029041924	188233238	/nfs/dbraw/zinc/23/32/38/188233238.db2.gz	SQXTYAWGCAPKAP-JJXSEGSLSA-N	0	0	246.350	2.753	1	30		BFEFRN
C=C1C/C=C/C(C)(C)C[C@@H](O)/C(C)=C\C[C@@H]1O	ZINC000034146959	188233992	/nfs/dbraw/zinc/23/39/92/188233992.db2.gz	QETDLTFNRYOLAT-QULUWVCYSA-N	0	0	236.355	2.977	1	30		BFEFRN
COc1c(C)cc(Cl)c2c1C(=O)C=CC2=O	ZINC000028871765	188283816	/nfs/dbraw/zinc/28/38/16/188283816.db2.gz	HETCGHXUBHKRSZ-UHFFFAOYSA-N	0	0	236.654	2.592	1	30		BFEFRN
N#Cc1cc(F)cc(C(=O)NC2CCCCC2)c1	ZINC000058582771	188302282	/nfs/dbraw/zinc/30/22/82/188302282.db2.gz	GWZXUEMHGOKSIP-UHFFFAOYSA-N	0	0	246.285	2.760	1	30		BFEFRN
C/C(=C\c1ccccc1)C(=O)C(=O)NC(C)(C)C	ZINC000072170960	188307039	/nfs/dbraw/zinc/30/70/39/188307039.db2.gz	BRDGHLJVOVDYGS-ZHACJKMWSA-N	0	0	245.322	2.574	1	30		BFEFRN
C=C[C@@H](C)[C@H]1OC(=O)c2cc(OC)cc(OC)c21	ZINC000045194537	188397924	/nfs/dbraw/zinc/39/79/24/188397924.db2.gz	REDMJMNSWHJJAD-AMIZOPFISA-N	0	0	248.278	2.737	1	30		BFEFRN
Cc1nc(C#Cc2cccc(F)c2)co1	ZINC000013681002	188407550	/nfs/dbraw/zinc/40/75/50/188407550.db2.gz	ROMYZYIIOINCPT-UHFFFAOYSA-N	0	0	201.200	2.522	1	30		BFEFRN
N#Cc1cc2cc3c(cc2nc1Cl)OCCO3	ZINC000011985202	181093742	/nfs/dbraw/zinc/09/37/42/181093742.db2.gz	UQUUELSGNFXSMV-UHFFFAOYSA-N	0	0	246.653	2.531	3	30		BFEFRN
N#Cc1cccc(-c2cn(-c3cccnc3)cn2)c1	ZINC000103224477	181133732	/nfs/dbraw/zinc/13/37/32/181133732.db2.gz	LRRYAFWKISOLKQ-UHFFFAOYSA-N	0	0	246.273	2.806	1	30		BFEFRN
O/N=C(\NC1CCCCC1)c1ccccc1F	ZINC000072181812	181824338	/nfs/dbraw/zinc/82/43/38/181824338.db2.gz	WXSGAMGOEOTDKG-UHFFFAOYSA-N	0	0	236.290	2.884	1	30		BFEFRN
O=C(NO)c1ccc(/C=C/c2ccccc2)o1	ZINC000040980715	182280756	/nfs/dbraw/zinc/28/07/56/182280756.db2.gz	USPQQLCGNXDFDP-VOTSOKGWSA-N	0	0	229.235	2.569	1	30		BFEFRN
c1cc(OC2CCCC2)ccc1NC1=NCCO1	ZINC000040918585	183359198	/nfs/dbraw/zinc/35/91/98/183359198.db2.gz	RDUGHRFTRSDLBD-UHFFFAOYSA-N	0	0	246.310	2.615	1	30		BFEFRN
Cc1ccc2c(c1)CC[C@H]1[C@H](C)C(=O)C=CN21	ZINC000000022627	132312427	/nfs/dbraw/zinc/31/24/27/132312427.db2.gz	WCPYNROBHCBVBH-AAEUAGOBSA-N	0	0	227.307	2.849	1	30		BFEFRN
C(=N/NC1=NCCc2ccccc21)\c1ccccc1	ZINC000039212513	166229726	/nfs/dbraw/zinc/22/97/26/166229726.db2.gz	UYYZAWYAAKISON-LDADJPATSA-N	0	0	249.317	2.613	1	30		BFEFRN
C=CCN(Cc1ccc(Cl)nc1)/C(C)=N/C#N	ZINC000103180719	166345937	/nfs/dbraw/zinc/34/59/37/166345937.db2.gz	XCLRBPNSFVYAEZ-MHWRWJLKSA-N	0	0	248.717	2.622	1	30		BFEFRN
CC(C)(C)CC#C[C@H]1C[C@@H]1c1c[nH]cn1	ZINC000029400735	166545629	/nfs/dbraw/zinc/54/56/29/166545629.db2.gz	XBRILQZFKNUQAJ-QWRGUYRKSA-N	0	0	202.301	2.953	1	30		BFEFRN
CC1=C2C=C[C@]3(C)[C@H](O)CC[C@@H]3[C@@H]2CCC1=O	ZINC000029483457	168090020	/nfs/dbraw/zinc/09/00/20/168090020.db2.gz	NYVZYABSZXZXMK-GBOPCIDUSA-N	0	0	232.323	2.629	1	30		BFEFRN
CC1=CC(=O)c2c3cc(F)ccc3[nH]c2C1=O	ZINC000034375554	168092020	/nfs/dbraw/zinc/09/20/20/168092020.db2.gz	VBTXUNOKDJDIHG-UHFFFAOYSA-N	0	0	229.210	2.632	1	30		BFEFRN
CC1=CC[C@@]2(O)[C@H](C)CC[C@@H](C(C)C)[C@@H]2C1=O	ZINC000040873733	168122419	/nfs/dbraw/zinc/12/24/19/168122419.db2.gz	DTKVUCPWKSABCL-QVHKTLOISA-N	0	0	236.355	2.955	1	30		BFEFRN
CC[C@@]12CCC3=CC(=O)CC[C@@H]3[C@@H]1CC[C@@H]2O	ZINC000029480237	171218638	/nfs/dbraw/zinc/21/86/38/171218638.db2.gz	NYNDTCWPKBQPCE-ZQDZILKHSA-N	0	0	234.339	2.853	1	30		BFEFRN
COc1ccc(/C=C/C=C(C(C)=O)C(C)=O)cc1	ZINC000139027652	175047283	/nfs/dbraw/zinc/04/72/83/175047283.db2.gz	QPSSHCVULITWTE-SNAWJCMRSA-N	0	0	244.290	2.813	1	30		BFEFRN
COc1ccc(NC=C2CCOC2=O)cc1	ZINC000101471130	175049900	/nfs/dbraw/zinc/04/99/00/175049900.db2.gz	NNQRVBYXJAGYLQ-MDWZMJQESA-N	0	0	219.240	2.587	1	30		BFEFRN
COc1cccc(/C(=N/O)NC2CCCCC2)c1	ZINC000072101458	175239461	/nfs/dbraw/zinc/23/94/61/175239461.db2.gz	ZZLXKZPISLJSHK-UHFFFAOYSA-N	0	0	248.326	2.753	1	30		BFEFRN
COc1cccc(OCC#Cc2ccncc2)c1	ZINC000040568107	175282931	/nfs/dbraw/zinc/28/29/31/175282931.db2.gz	PGXBAMUBKFUSMJ-UHFFFAOYSA-N	0	0	239.274	2.521	1	30		BFEFRN
C[C@H]1C[C@@H]2[C@H]3CCC(=O)C=C3CC[C@@]2(C)[C@@H]1O	ZINC000029475478	177352558	/nfs/dbraw/zinc/35/25/58/177352558.db2.gz	USYWOLRCXBJNMO-NJEAUENSSA-N	0	0	234.339	2.709	1	30		BFEFRN
CCCCC[C@H]1O[C@@H]1/C=C/C(=O)NCC(C)C	ZINC000095912392	560057114	/nfs/dbraw/zinc/05/71/14/560057114.db2.gz	WBDSQKLBFAMPBP-RYYBZQDPSA-N	0	0	239.359	2.663	1	30	biogenic,in-vitro	BFEFRN
CC1=C2C[C@H]3C[C@H](CO)[C@@H](C)[C@]2(CC1=O)C3(C)C	ZINC000085549707	560071904	/nfs/dbraw/zinc/07/19/04/560071904.db2.gz	QLKMKDGIDUBDHJ-QHSOUUPTSA-N	0	0	248.366	2.957	1	30	biogenic,in-vitro	BFEFRN
C=C1CC[C@H](O)[C@@]2(C)CC[C@H](C(C)C)C[C@]12O	ZINC000006491556	560205974	/nfs/dbraw/zinc/20/59/74/560205974.db2.gz	CKGNGZNSTIOFOY-XQLPTFJDSA-N	0	0	238.371	2.891	1	30	biogenic,in-vitro	BFEFRN
C[S@@](=O)CCCCCCCCC#N	ZINC000014589127	560222600	/nfs/dbraw/zinc/22/26/00/560222600.db2.gz	XGRYRNQISNOEGY-ZDUSSCGKSA-N	0	0	201.335	2.619	1	30	in-vitro	BFEFRN
C=C1[C@H]2CC[C@H](C2)[C@]1(C)CCC=C(CO)CO	ZINC000014690727	560224558	/nfs/dbraw/zinc/22/45/58/560224558.db2.gz	GDUPVLWBFYDTHE-RRFJBIMHSA-N	0	0	236.355	2.670	1	30	biogenic,in-vitro	BFEFRN
C=C1C(=O)O[C@@H]2C/C(C)=C\CC/C(C)=C\[C@@H](O)[C@H]12	ZINC000014453449	571708738	/nfs/dbraw/zinc/70/87/38/571708738.db2.gz	FRDLPOYYWWRSPZ-YISIQTNYSA-N	0	0	248.322	2.522	1	30	endogenous,in-man	BFEFRN
Cc1coc2c1C[C@H]1O[C@]1(C)CC[C@@H]1O[C@@]1(C)C2	ZINC000014773419	571723218	/nfs/dbraw/zinc/72/32/18/571723218.db2.gz	FNQFNSGVMLMZNV-YJNKXOJESA-N	0	0	248.322	2.782	1	30	endogenous,in-man	BFEFRN
C=C1CC[C@@H]2[C@](C)(O)CC[C@H](C(C)C)[C@@]2(O)C1	ZINC000013381685	574413229	/nfs/dbraw/zinc/41/32/29/574413229.db2.gz	AHNGXHRYFGQWSL-TUVASFSCSA-N	0	0	238.371	2.891	1	30	endogenous,in-man	BFEFRN
C=C1C(=O)O[C@@H]2C/C(C)=C\CC[C@]3(C)O[C@H]3C[C@@H]12	ZINC000015160623	574413841	/nfs/dbraw/zinc/41/38/41/574413841.db2.gz	RYQABBMOWVCVPW-WHXVNSBCSA-N	0	0	248.322	2.762	1	30	endogenous,in-man	BFEFRN
C=C1Cc2occ(C)c2C(=O)[C@]2(O)[C@H](C)CC[C@H]12	ZINC000086007187	574416902	/nfs/dbraw/zinc/41/69/02/574416902.db2.gz	CKDRPCYJCDMPFO-HFAKWTLXSA-N	0	0	246.306	2.660	1	30	endogenous,in-man	BFEFRN
C=C1C(=O)O[C@@H]2/C=C(/C)CC[C@H]3O[C@]3(C)CC[C@@H]12	ZINC000169363257	187226762	/nfs/dbraw/zinc/22/67/62/187226762.db2.gz	GEKKXBNQQCFXAH-FWASHPMJSA-N	0	0	248.322	2.762	1	30		BFEFRN
C=C1C(=O)[C@H]2O[C@]23C[C@H]2CC(C)(C)C[C@H]2[C@]13C	ZINC000005496729	187248228	/nfs/dbraw/zinc/24/82/28/187248228.db2.gz	QGOYASWEWJQUBT-DTFMEENKSA-N	0	0	232.323	2.725	1	30		BFEFRN
C=C(C)[C@H]1CC[C@]2(C1)[C@H](C=O)C[C@H](O)C[C@@H]2C	ZINC000000898849	187244755	/nfs/dbraw/zinc/24/47/55/187244755.db2.gz	CEVNHRPKRNTGKO-BTFPBAQTSA-N	0	0	236.355	2.955	1	30	endogenous,in-man	BFEFRN
C(=N\c1ccc(-c2ncon2)cc1)\c1ccc[nH]1	ZINC000028242989	187255820	/nfs/dbraw/zinc/25/58/20/187255820.db2.gz	COOQVBOVFCTCRN-NVNXTCNLSA-N	0	0	238.250	2.815	1	30		BFEFRN
CC1(C)O[C@@H]1CCCc1cc(O)ccc1O	ZINC000095580651	187288356	/nfs/dbraw/zinc/28/83/56/187288356.db2.gz	NLQUFFGHCLRIHQ-GFCCVEGCSA-N	0	0	222.284	2.598	1	30		BFEFRN
C#Cc1cccc(Nc2ccnc(Cl)n2)c1	ZINC000095561218	187362271	/nfs/dbraw/zinc/36/22/71/187362271.db2.gz	ZCUPITPYDOIZLF-UHFFFAOYSA-N	0	0	229.670	2.855	1	30		BFEFRN
CC#CCCC[C@]1(C)CCCNC1=S	ZINC000005940566	187363712	/nfs/dbraw/zinc/36/37/12/187363712.db2.gz	DRUQSDJLVBDEDD-GFCCVEGCSA-N	0	0	209.358	2.897	1	30		BFEFRN
Cc1nc(C#Cc2cccc(F)c2)cs1	ZINC000013680864	187363774	/nfs/dbraw/zinc/36/37/74/187363774.db2.gz	SCVDCVQUJSBAAM-UHFFFAOYSA-N	0	0	217.268	2.990	1	30	in-vivo	BFEFRN
CC(C)(C)C#COC(=O)c1ccccc1	ZINC000001629810	187364752	/nfs/dbraw/zinc/36/47/52/187364752.db2.gz	PYBKBZHNHYPLAR-UHFFFAOYSA-N	0	0	202.253	2.850	1	30		BFEFRN
C(=Nc1nc[nH]n1)c1cccc2ccccc12	ZINC000100419851	191063187	/nfs/dbraw/zinc/06/31/87/191063187.db2.gz	DVXLIIPIMNNLEB-ZSOIEALJSA-N	0	0	222.251	2.709	1	30		BFEFRN
CC(C)CNC=C1C(=O)c2ccccc2C1=O	ZINC000011535562	187931777	/nfs/dbraw/zinc/93/17/77/187931777.db2.gz	BYUNFCURENSSJR-OVCLIPMQSA-N	0	0	229.279	2.879	1	30		BFEFRN
Cc1ccc(N)c(C#Cc2cccc(F)c2)n1	ZINC000003821210	188052006	/nfs/dbraw/zinc/05/20/06/188052006.db2.gz	SMDCSNKFFKCUDO-UHFFFAOYSA-N	0	0	226.254	2.511	1	30		BFEFRN
C=C1C=CC[C@@H](C)[C@@]1(C)CCC1=C[C@@H](O)OC1=O	ZINC000015273491	188052269	/nfs/dbraw/zinc/05/22/69/188052269.db2.gz	DNVMNEBSCNECGO-ZLDLUXBVSA-N	0	0	248.322	2.727	1	30		BFEFRN
CC(Nc1ccccc1)=C1C(=O)O[C@H](C)C1=O	ZINC000013468347	188279369	/nfs/dbraw/zinc/27/93/69/188279369.db2.gz	KRZFCASOTAPZCN-MBBDXHFBSA-N	0	0	231.251	2.536	1	30		BFEFRN
Cc1oncc1C(=S)Nc1ccc(C#N)cc1	ZINC000026280454	188282650	/nfs/dbraw/zinc/28/26/50/188282650.db2.gz	MPPALKMLXLRVOS-UHFFFAOYSA-N	0	0	243.291	2.642	1	30		BFEFRN
N#C[C@H]1CCCC[C@H]1NC1(C#N)CCCCC1	ZINC000031840963	181068973	/nfs/dbraw/zinc/06/89/73/181068973.db2.gz	ZQPYNJHDXOORBF-CHWSQXEVSA-N	0	0	231.343	2.885	1	30		BFEFRN
O=c1cccc2[nH]c(C#Cc3cccnc3)ccc1-2	ZINC000095590951	183298376	/nfs/dbraw/zinc/29/83/76/183298376.db2.gz	BYMKDWUCMOXQFK-UHFFFAOYSA-N	0	0	246.269	2.735	1	30		BFEFRN
C=C1CC[C@@H](O)[C@]2(C)CC[C@@H](C(C)(C)O)C[C@@H]12	ZINC000095914600	386559466	/nfs/dbraw/zinc/55/94/66/386559466.db2.gz	MQOLOUZWNJHZLN-QVHKTLOISA-N	0	0	238.371	2.891	1	30	biogenic,in-vitro	BFEFRN
C(=N/c1nc2ccccc2[nH]1)\c1ccncc1	ZINC000071295311	166230485	/nfs/dbraw/zinc/23/04/85/166230485.db2.gz	NWKTVIQDYUPVFT-OQLLNIDSSA-N	0	0	222.251	2.709	1	30		BFEFRN
C=CCP1(=O)O[C@@H](C=C)C[C@H](C=C)O1	ZINC000072104620	166425596	/nfs/dbraw/zinc/42/55/96/166425596.db2.gz	PEHQSRABCRAFIR-UWVGGRQHSA-N	0	0	214.201	2.912	1	30		BFEFRN
CC1(C)CC2=C(O1)[C@]1(CO1)c1ccccc1C2=O	ZINC000040848106	167889512	/nfs/dbraw/zinc/88/95/12/167889512.db2.gz	OJRFSQGFMITKIW-HNNXBMFYSA-N	0	0	242.274	2.561	1	30		BFEFRN
CC1=C/C(=C\C(C)C)C(=O)[C@](C)(O)C12CC2	ZINC000025981571	168090258	/nfs/dbraw/zinc/09/02/58/168090258.db2.gz	GQAAIMZSKLOWIV-HJTPGIPUSA-N	0	0	220.312	2.629	1	30		BFEFRN
CC1=C/C(=C\C(C)C)C(=O)[C@@](C)(O)C12CC2	ZINC000025981577	168090367	/nfs/dbraw/zinc/09/03/67/168090367.db2.gz	GQAAIMZSKLOWIV-SVTZGKHISA-N	0	0	220.312	2.629	1	30		BFEFRN
CC[C@@](C)(O)c1[nH]c2ccc(C#N)cc2c1C	ZINC000015935746	171187513	/nfs/dbraw/zinc/18/75/13/171187513.db2.gz	ODFOKSDQFUFSPT-CQSZACIVSA-N	0	0	228.295	2.966	3	30		BFEFRN
CNc1oc(-c2cccc(Cl)c2)nc1C#N	ZINC000036380726	173490031	/nfs/dbraw/zinc/49/00/31/173490031.db2.gz	JVOMBGDXAFKVNQ-UHFFFAOYSA-N	0	0	233.658	2.908	1	30		BFEFRN
COc1ccc(/C=N\c2ccncc2)cc1O	ZINC000103275601	175049763	/nfs/dbraw/zinc/04/97/63/175049763.db2.gz	NUERNUQXPVRJMA-DHDCSXOGSA-N	0	0	228.251	2.546	1	30		BFEFRN
COc1cccc(C2=CC(=O)CC(C)(C)C2=O)c1	ZINC000061924457	175249164	/nfs/dbraw/zinc/24/91/64/175249164.db2.gz	HDOGTZKRTYJUIZ-UHFFFAOYSA-N	0	0	244.290	2.647	3	30		BFEFRN
C[C@@H]1C[C@H]2[C@@H]3CCC(=O)C=C3CC[C@@]2(C)[C@@H]1O	ZINC000029475921	176449034	/nfs/dbraw/zinc/44/90/34/176449034.db2.gz	USYWOLRCXBJNMO-SWMGHYKJSA-N	0	0	234.339	2.709	1	30		BFEFRN
C=C(C)[C@@H]1CC[C@]2(C1)[C@H](C)C[C@H](O)C[C@@H]2CO	ZINC000038675369	560086072	/nfs/dbraw/zinc/08/60/72/560086072.db2.gz	LOLOOEMMLLRJKC-ZSAUSMIDSA-N	0	0	238.371	2.748	1	30	biogenic,in-vitro	BFEFRN
C=C[C@]1(C)C[C@]2(O)OC(=O)C(C)=C2C[C@H]1C(=C)C	ZINC000014449926	560221575	/nfs/dbraw/zinc/22/15/75/560221575.db2.gz	SZSKOUUYIBMAJD-GLQYFDAESA-N	0	0	248.322	2.727	1	30	biogenic,in-vitro	BFEFRN
CC1=C(/C=C/[C@@H](C)O)C(C)(C)CCC1=O	ZINC000014487664	560221796	/nfs/dbraw/zinc/22/17/96/560221796.db2.gz	LWWWERIIOIAWQK-VUHVRTRXSA-N	0	0	208.301	2.629	1	30	biogenic,in-vitro	BFEFRN
C/C=C\C#CC#C/C=C/COC(=O)CC(C)C	ZINC000013433395	571701160	/nfs/dbraw/zinc/70/11/60/571701160.db2.gz	FPIBENZMUTVCEK-JWPKELMXSA-N	0	0	230.307	2.715	1	30	endogenous,in-man	BFEFRN
CC(=O)C1=C[C@@]2(C)[C@H](C)CCC[C@H]2CC1=O	ZINC000014493264	571710535	/nfs/dbraw/zinc/71/05/35/571710535.db2.gz	XNORMQKITMTNGH-PUYPPJJSSA-N	0	0	220.312	2.917	1	30	endogenous,in-man	BFEFRN
O=C(/C=C/c1ccccc1)c1ccc(O)c(O)c1	ZINC000038868875	571754232	/nfs/dbraw/zinc/75/42/32/571754232.db2.gz	WYUBYHGDUPOTPG-SOFGYWHQSA-N	0	0	240.258	2.994	1	30	endogenous,in-man	BFEFRN
C=C(C)[C@H]1CC[C@@]2(C1)[C@H](C)CC(=O)C[C@@H]2CO	ZINC000085912819	571791408	/nfs/dbraw/zinc/79/14/08/571791408.db2.gz	YKAYVNCAHDGJNI-QVHKTLOISA-N	0	0	236.355	2.957	1	30	endogenous,in-man	BFEFRN
C[C@H](O)C1=C[C@]2(C)[C@H](CCC[C@@H]2C)CC1=O	ZINC000014493249	574413470	/nfs/dbraw/zinc/41/34/70/574413470.db2.gz	YAQFZWZUAZKHAL-DYNIEEOBSA-N	0	0	222.328	2.709	1	30	endogenous,in-man	BFEFRN
C=C(C)[C@H]1CC[C@](C)(O)[C@@H]2CC[C@@](C)(O)[C@@H]2C1	ZINC000015265117	574413920	/nfs/dbraw/zinc/41/39/20/574413920.db2.gz	RQHOQQOEZPFYTD-VYDRJRHOSA-N	0	0	238.371	2.891	1	30	endogenous,in-man	BFEFRN
C=C(C)[C@@H]1CC(=O)[C@@H]2C[C@H](O)C[C@H](C)[C@@]2(C)C1	ZINC000085848470	574416803	/nfs/dbraw/zinc/41/68/03/574416803.db2.gz	MZPGODIAQREELD-IHWVXMPCSA-N	0	0	236.355	2.955	1	30	endogenous,in-man	BFEFRN
CCC(CC)N=Nc1nc2ccccc2[nH]c1=O	ZINC000045337586	168332079	/nfs/dbraw/zinc/33/20/79/168332079.db2.gz	QQZUBTGYEYRLSN-UHFFFAOYSA-N	0	0	244.298	2.511	1	30		BFEFRN
C=C1C[C@]2(OC1=O)[C@H]1CC[C@H](C1)C2(C)C	ZINC000025983300	187207315	/nfs/dbraw/zinc/20/73/15/187207315.db2.gz	RMHOLYVZMZEYFM-NRUUGDAUSA-N	0	0	206.285	2.684	1	30		BFEFRN
CC(C)=Cc1ccc(N(O)C(C)=O)cc1	ZINC000027717880	187255573	/nfs/dbraw/zinc/25/55/73/187255573.db2.gz	PBRWHLXCIVOGFD-UHFFFAOYSA-N	0	0	205.257	2.852	1	30		BFEFRN
FC(F)(F)c1ccnc(C#Cc2ccccc2)n1	ZINC000585144953	343880617	/nfs/dbraw/zinc/88/06/17/343880617.db2.gz	OQUAMGCECOLYBT-UHFFFAOYSA-N	0	0	248.207	2.895	2	30		BFEFRN
C=C1C(=O)O[C@H](C)C[C@H]1c1ccc([N+](=O)[O-])cc1	ZINC000045259401	187355240	/nfs/dbraw/zinc/35/52/40/187355240.db2.gz	WESMVXZGTWUUSN-PRHODGIISA-N	0	0	247.250	2.570	1	30		BFEFRN
N#Cc1nn(C(=O)c2ccccc2)c2ccccc12	ZINC000096273866	187288881	/nfs/dbraw/zinc/28/88/81/187288881.db2.gz	MOYKZPSSFMCUAR-UHFFFAOYSA-N	0	0	247.257	2.596	1	30		BFEFRN
C#C[C@@H]1CC[C@@]2(C)C=CC(=O)[C@@H](C)[C@@H]2C1	ZINC000038293199	166214168	/nfs/dbraw/zinc/21/41/68/166214168.db2.gz	WLJJVPSVSROSLC-OPDFLTKYSA-N	0	0	202.297	2.817	1	30		BFEFRN
C=C1C(=O)O[C@@H]2/C=C(\C)CC/C=C(\C)[C@@H](O)C[C@@H]12	ZINC000158280294	290767349	/nfs/dbraw/zinc/76/73/49/290767349.db2.gz	CHKPFVHCBRAVJP-MHCGRXEOSA-N	0	0	248.322	2.522	1	30	biogenic	BFEFRN
C=C(C)[C@H]1CCC(=O)[C@]23CC[C@@H](C)[C@@]2(C1)O3	ZINC000103580365	290767351	/nfs/dbraw/zinc/76/73/51/290767351.db2.gz	PVZOTDQMEIOVQO-ZMJPVWNMSA-N	0	0	220.312	2.869	1	30	biogenic,in-vitro	BFEFRN
C[C@@H]1CC(=O)C=C2[C@@H](O)C[C@@H]3[C@@H](C3(C)C)[C@]21C	ZINC000014856015	290772294	/nfs/dbraw/zinc/77/22/94/290772294.db2.gz	ALMYSFNKELLWOO-SKAUILTLSA-N	0	0	234.339	2.565	1	30	biogenic,in-vitro	BFEFRN
C[C@@H]1C(=O)C=C[C@]2(C)CC[C@@H](C(C)(C)O)C[C@@H]12	ZINC000100779250	571830440	/nfs/dbraw/zinc/83/04/40/571830440.db2.gz	MSSWKGZMPUXALD-OXIQGZBJSA-N	0	0	236.355	2.955	1	30	endogenous,in-man	BFEFRN
C=C1CC[C@@]2(C(C)C)O[C@H]2[C@H]2[C@H]1CC[C@]2(C)O	ZINC000026832512	187546275	/nfs/dbraw/zinc/54/62/75/187546275.db2.gz	DHOMMAYDBREASS-AICCOOGYSA-N	0	0	236.355	2.907	1	30		BFEFRN
C=C1C(=O)O[C@H]2/C=C(/C)[C@@H](O)CC/C(C)=C/C[C@H]12	ZINC000169360097	187564958	/nfs/dbraw/zinc/56/49/58/187564958.db2.gz	SXBRYRJLFAIQNM-FPVNFMCDSA-N	0	0	248.322	2.522	1	30		BFEFRN
Cc1nc(C#Cc2cccnc2)c(C)s1	ZINC000013680913	187711586	/nfs/dbraw/zinc/71/15/86/187711586.db2.gz	JDFSJBMBMZRXML-UHFFFAOYSA-N	0	0	214.293	2.555	1	30	in-vivo	BFEFRN
COc1ccc([C@H]2C=CC(=O)CC2)c(OC)c1	ZINC000095571410	187973997	/nfs/dbraw/zinc/97/39/97/187973997.db2.gz	MRCGSKRFUOGWAB-JTQLQIEISA-N	0	0	232.279	2.707	3	30		BFEFRN
C=C1CC[C@H]2[C@@H](CC2(C)C)C(=O)CC[C@@H]1O	ZINC000003171726	187959092	/nfs/dbraw/zinc/95/90/92/187959092.db2.gz	BSFUDCIRZBAPDS-WOPDTQHZSA-N	0	0	222.328	2.709	1	30	endogenous,in-man	BFEFRN
C=C1CC[C@@H](O)[C@]2(C)CC[C@H](C(C)C)[C@@H](O)[C@@H]12	ZINC000038918838	188007541	/nfs/dbraw/zinc/00/75/41/188007541.db2.gz	WKKJGHCXVKEJNU-RYPNDVFKSA-N	0	0	238.371	2.747	1	30	biogenic,in-vitro	BFEFRN
C=C1CC[C@@H](O)[C@]2(C)CC[C@@](O)(C(C)C)C[C@@H]12	ZINC000040977226	188043037	/nfs/dbraw/zinc/04/30/37/188043037.db2.gz	SWIPEIJPNVNEPT-YJNKXOJESA-N	0	0	238.371	2.891	1	30	biogenic,in-vitro	BFEFRN
C#CCNCc1coc(-c2ccccc2Cl)n1	ZINC000072100875	188047340	/nfs/dbraw/zinc/04/73/40/188047340.db2.gz	JQAGNFQDUCSPMF-UHFFFAOYSA-N	0	0	246.697	2.718	1	30		BFEFRN
C=C(C)[C@H]1CCC(=C)[C@@H](O)CCC2=C[C@H]1OC2=O	ZINC000034522729	188233986	/nfs/dbraw/zinc/23/39/86/188233986.db2.gz	AHRAJHROHXBDAF-HZSPNIEDSA-N	0	0	248.322	2.522	1	30	biogenic,in-vitro	BFEFRN
CC(N)=C1C(=O)CC(c2ccccc2)CC1=O	ZINC000013058643	188279853	/nfs/dbraw/zinc/27/98/53/188279853.db2.gz	MYHVRESOWUTJHQ-NSHDSACASA-N	0	0	229.279	2.985	1	30		BFEFRN
CC1=CCCC[C@@H]1[C@H]1C=CC(=O)[C@H](C)O1	ZINC000027428001	188283275	/nfs/dbraw/zinc/28/32/75/188283275.db2.gz	JJHADUXKXOHJIL-GMXVVIOVSA-N	0	0	206.285	2.645	1	30		BFEFRN
CC1=CC2=C(C(C)C)C(=O)C[C@@H](C)C2C(=O)C1=O	ZINC000044361231	188296495	/nfs/dbraw/zinc/29/64/95/188296495.db2.gz	LAGZRKDQPWWRRT-MRVPVSSYSA-N	0	0	246.306	2.889	1	30		BFEFRN
C=C1CC[C@@H]2O[C@@]2(C)CC[C@H]2[C@H]1C[C@]2(C)O	ZINC000040828685	188396817	/nfs/dbraw/zinc/39/68/17/188396817.db2.gz	FDXOLTKNPDKRPV-PEDHHIEDSA-N	0	0	222.328	2.661	1	30		BFEFRN
N#C[C@H](Cc1ccc[nH]1)c1ccc([N+](=O)[O-])cc1	ZINC000169329402	181063489	/nfs/dbraw/zinc/06/34/89/181063489.db2.gz	APRWOGYGQLJSCK-NSHDSACASA-N	0	0	241.250	2.773	1	30		BFEFRN
N#Cc1c2ncccc2[nH]c1N1CCCCCC1	ZINC000013490325	181078380	/nfs/dbraw/zinc/07/83/80/181078380.db2.gz	DXERLGMEXBZTLS-UHFFFAOYSA-N	0	0	240.310	2.815	1	30		BFEFRN
N#Cc1ccc2c(c1)CCC2=Cc1c[nH]cn1	ZINC000013611827	181132625	/nfs/dbraw/zinc/13/26/25/181132625.db2.gz	FFOSLNTUQPRRRB-WUXMJOGZSA-N	0	0	221.263	2.768	1	30		BFEFRN
N#Cc1cccc(C#Cc2csc(CF)n2)c1	ZINC000028701632	181134613	/nfs/dbraw/zinc/13/46/13/181134613.db2.gz	SAUAOCKTTMVEHF-UHFFFAOYSA-N	0	0	242.278	2.884	1	30		BFEFRN
CCCCC[C@@H]1C(=O)C=C[C@H]1CC(=O)OC	ZINC000040379461	168741047	/nfs/dbraw/zinc/74/10/47/168741047.db2.gz	PIVSLSVPWXCWFO-QWRGUYRKSA-N	0	0	224.300	2.501	1	30		BFEFRN
CCCCc1ccc(N(O)C(C)=O)cc1	ZINC000027717873	169021013	/nfs/dbraw/zinc/02/10/13/169021013.db2.gz	BKDAAACOFCQSSD-UHFFFAOYSA-N	0	0	207.273	2.771	1	30		BFEFRN
C=C[C@@H]1CC(=O)c2cc(F)ccc2N1C(=O)OC	ZINC000040393594	132223476	/nfs/dbraw/zinc/22/34/76/132223476.db2.gz	WNFIFKYXUDUTNT-SECBINFHSA-N	0	0	249.241	2.540	1	30		BFEFRN
Cc1ccc2c(c1)CC[C@@H]1[C@H](C)C(=O)C=CN21	ZINC000027200723	132333880	/nfs/dbraw/zinc/33/38/80/132333880.db2.gz	WCPYNROBHCBVBH-WCQYABFASA-N	0	0	227.307	2.849	1	30		BFEFRN
C#CC[C@H](C(=O)c1ccc(C)cc1)N1CCCC1	ZINC000013682207	166204630	/nfs/dbraw/zinc/20/46/30/166204630.db2.gz	RRFLDGUEDAERPR-OAHLLOKOSA-N	0	0	241.334	2.665	1	30		BFEFRN
C#C[C@@H]1CC[C@@]2(C)C=CC(=O)C(C)=C2C1	ZINC000034455373	166213852	/nfs/dbraw/zinc/21/38/52/166213852.db2.gz	RTESQNRDPLLSCQ-RISCZKNCSA-N	0	0	200.281	2.881	1	30		BFEFRN
C=CCO[C@]1(C)C[C@@H]2OCC3=CCCC[C@]32O1	ZINC000073331826	166422937	/nfs/dbraw/zinc/42/29/37/166422937.db2.gz	VHJCLFGFTXILCT-IHRRRGAJSA-N	0	0	236.311	2.573	1	30		BFEFRN
CC1(C)CCC2=C(O1)C(=O)C1=C(CCCC1)C2=O	ZINC000084705119	167891833	/nfs/dbraw/zinc/89/18/33/167891833.db2.gz	TYJZNKZGWQQLFI-UHFFFAOYSA-N	0	0	246.306	2.852	1	30		BFEFRN
CC1=CC(=O)C(C(=O)C=Cc2cccs2)C1=O	ZINC000101065545	168091293	/nfs/dbraw/zinc/09/12/93/168091293.db2.gz	ORVBQHHHWLSBQK-JOKBTEAVSA-N	0	0	246.287	2.672	1	30		BFEFRN
CC1=C[C@H]2C[C@@]34O[C@@]3(CC(=O)O4)C(C)(C)[C@@H]2CC1	ZINC000040980663	168131665	/nfs/dbraw/zinc/13/16/65/168131665.db2.gz	CGBNIHVFQQVBKM-IDTSFGKNSA-N	0	0	248.322	2.801	1	30		BFEFRN
CCNC(=S)N/N=C(\CC)c1ccc(C)cc1	ZINC000007008241	170105268	/nfs/dbraw/zinc/10/52/68/170105268.db2.gz	SEOASWSYPQXDDB-NTCAYCPXSA-N	0	0	249.383	2.593	1	30		BFEFRN
CC[C@H](C)C(=O)OC[C@H]1CCCC[C@@H]1C=O	ZINC000029570137	171256315	/nfs/dbraw/zinc/25/63/15/171256315.db2.gz	FFZLWVPCNBASGT-QJPTWQEYSA-N	0	0	226.316	2.581	1	30		BFEFRN
COC1=CC(=O)S[C@]1(C)Cc1ccccc1	ZINC000013609122	174013218	/nfs/dbraw/zinc/01/32/18/174013218.db2.gz	AVIKPZULNVHLGA-CYBMUJFWSA-N	0	0	234.320	2.792	1	30		BFEFRN
C[C@@]12C[C@@H]1C[C@]1(C)CC3=C(C[C@@H]21)C(=O)C=CC3=O	ZINC000049784736	176549525	/nfs/dbraw/zinc/54/95/25/176549525.db2.gz	PMOALYDYEGEJOE-LDYRWJSCSA-N	0	0	242.318	2.837	1	30		BFEFRN
C=C1C(=O)O[C@@H]2/C=C(\C)CC/C=C(\C)C[C@@H](O)[C@@H]12	ZINC000004098092	560195281	/nfs/dbraw/zinc/19/52/81/560195281.db2.gz	PDEJECFRCJOMEN-OURLZOILSA-N	0	0	248.322	2.522	1	30	biogenic,in-vitro	BFEFRN
C=C1C(=O)O[C@@H]2C/C(C)=C\CC/C(C)=C\[C@@H](O)[C@@H]12	ZINC000014453447	571708791	/nfs/dbraw/zinc/70/87/91/571708791.db2.gz	FRDLPOYYWWRSPZ-NFYUVWPLSA-N	0	0	248.322	2.522	1	30	endogenous,in-man	BFEFRN
C=C1CC[C@H]2[C@](C)(O)CC[C@H](C(C)C)[C@]2(O)C1	ZINC000014918652	571726850	/nfs/dbraw/zinc/72/68/50/571726850.db2.gz	AHNGXHRYFGQWSL-LXTVHRRPSA-N	0	0	238.371	2.891	1	30	endogenous,in-man	BFEFRN
C=C1Cc2occ(C)c2C(=O)[C@]2(O)[C@@H]1CC[C@@H]2C	ZINC000014887508	571726917	/nfs/dbraw/zinc/72/69/17/571726917.db2.gz	CKDRPCYJCDMPFO-FIXISWKDSA-N	0	0	246.306	2.660	1	30	endogenous,in-man	BFEFRN
C=C1CC[C@@H]2[C@@](O)(C1)[C@@H](C(C)C)CC[C@]2(C)O	ZINC000014918654	571727049	/nfs/dbraw/zinc/72/70/49/571727049.db2.gz	AHNGXHRYFGQWSL-CBBWQLFWSA-N	0	0	238.371	2.891	1	30	endogenous,in-man	BFEFRN
C[C@@]12CC[C@H]3[C@@H](CC3(C)C)C(=O)CC[C@@H]1O2	ZINC000003171672	571683170	/nfs/dbraw/zinc/68/31/70/571683170.db2.gz	UETZJEZFLKASPR-IUCKATPISA-N	0	0	222.328	2.949	1	30	endogenous,in-man	BFEFRN
C[C@]12CC[C@@H]3[C@@H](CC3(C)C)C(=O)CC[C@@H]1O2	ZINC000100780993	571834318	/nfs/dbraw/zinc/83/43/18/571834318.db2.gz	UETZJEZFLKASPR-KLTVKPSUSA-N	0	0	222.328	2.949	1	30	endogenous,in-man	BFEFRN
Cc1ccc(C2=NO[C@@H](C#N)CC2)cc1C	ZINC000040914178	178513008	/nfs/dbraw/zinc/51/30/08/178513008.db2.gz	AZIURFRVJKPFAP-GFCCVEGCSA-N	0	0	214.268	2.710	1	30		BFEFRN
CC1(C)OC(/C=C/c2ccc(C#N)cc2)=CC1=O	ZINC000034463731	187257635	/nfs/dbraw/zinc/25/76/35/187257635.db2.gz	NMWRHECJRIEAQX-BQYQJAHWSA-N	0	0	239.274	2.833	1	30		BFEFRN
C(#Cc1nccc2sccc21)Cn1cccn1	ZINC000585145356	343880503	/nfs/dbraw/zinc/88/05/03/343880503.db2.gz	OYRSTHZTSAWIDE-UHFFFAOYSA-N	0	0	239.303	2.545	2	30		BFEFRN
C=C1[C@@H]2CC[C@]13[C@H](C)C(=O)[C@@H](O)[C@@H](C)[C@]3(C)C2	ZINC000040981228	187354407	/nfs/dbraw/zinc/35/44/07/187354407.db2.gz	QDTSSRCDTBHKAG-PWDJSDCWSA-N	0	0	234.339	2.565	1	30		BFEFRN
C=C1CC[C@@H](C(C)C)[C@@H]2[C@@H](C(=O)CO)CC[C@H]12	ZINC000040411202	187354750	/nfs/dbraw/zinc/35/47/50/187354750.db2.gz	ZKICAUCMQVTPQE-JLNYLFASSA-N	0	0	236.355	2.812	1	30		BFEFRN
N#Cc1ccc2c(c1)[nH]c1c2CCc2c[nH]nc2-1	ZINC000096921638	187290114	/nfs/dbraw/zinc/29/01/14/187290114.db2.gz	UZHSANPUVQQETG-UHFFFAOYSA-N	0	0	234.262	2.528	1	30		BFEFRN
C=C(C)[C@H](CCC(C)=O)N(O)c1ccccn1	ZINC000073157551	187359307	/nfs/dbraw/zinc/35/93/07/187359307.db2.gz	ISCCHRRXCVVEQA-LBPRGKRZSA-N	0	0	234.299	2.591	1	30		BFEFRN
C=C(C)[C@@H](C)N(O)c1ccc(Cl)cn1	ZINC000073196851	187359446	/nfs/dbraw/zinc/35/94/46/187359446.db2.gz	KBTFYNYJMBYLHT-MRVPVSSYSA-N	0	0	212.680	2.895	1	30		BFEFRN
Cc1cccc2c3ccc(C#N)cc3c(=O)[nH]c12	ZINC000028645699	179225620	/nfs/dbraw/zinc/22/56/20/179225620.db2.gz	HCPOLZFMMLPJQA-UHFFFAOYSA-N	0	0	234.258	2.861	1	30		BFEFRN
C=C1C(=O)O[C@@H](C)C[C@@H]1c1ccc(OC)cc1	ZINC000045259419	187702727	/nfs/dbraw/zinc/70/27/27/187702727.db2.gz	VAIJGSKOZOHYQQ-ZANVPECISA-N	0	0	232.279	2.670	1	30		BFEFRN
CCCCCC[C@@H](O)/C=C1/CCCC1=O	ZINC000026168611	168676707	/nfs/dbraw/zinc/67/67/07/168676707.db2.gz	STGSBEXQWKQAQJ-NLYDNYMLSA-N	0	0	210.317	2.997	1	30		BFEFRN
C=C(C)[C@@H](CCC(C)=O)N(O)c1ccccn1	ZINC000073157546	188047626	/nfs/dbraw/zinc/04/76/26/188047626.db2.gz	ISCCHRRXCVVEQA-GFCCVEGCSA-N	0	0	234.299	2.591	1	30		BFEFRN
C=C(C(=O)OC)[C@@H](O)/C=C(\C)CCC=C(C)C	ZINC000027846500	188233341	/nfs/dbraw/zinc/23/33/41/188233341.db2.gz	YANDEWUSSLSRJT-STRFDMGBSA-N	0	0	238.327	2.769	1	30		BFEFRN
CC#CCCOc1cccc2ccc(N)nc21	ZINC000028387537	188233757	/nfs/dbraw/zinc/23/37/57/188233757.db2.gz	ULQJDCAFXBRXGD-UHFFFAOYSA-N	0	0	226.279	2.609	1	30		BFEFRN
C=C[C@@H]1OC(c2ccc(Cl)cc2)=N[C@H]1S	ZINC000028377479	188283813	/nfs/dbraw/zinc/28/38/13/188283813.db2.gz	IKZDCRKJMJCCPS-ONGXEEELSA-N	0	0	239.727	2.927	1	30		BFEFRN
C=CN1C(C)=C(C(C)=O)NN1c1ccc(C)cc1	ZINC000103271742	188323977	/nfs/dbraw/zinc/32/39/77/188323977.db2.gz	UXDJHWQZWGHQAJ-UHFFFAOYSA-N	0	0	243.310	2.501	1	30		BFEFRN
CC1(C)O[C@H]1CCCc1cc(O)ccc1O	ZINC000095580650	188319705	/nfs/dbraw/zinc/31/97/05/188319705.db2.gz	NLQUFFGHCLRIHQ-LBPRGKRZSA-N	0	0	222.284	2.598	1	30		BFEFRN
N#Cc1ccc(C=C2SC(=O)NC2=S)cc1	ZINC000095557273	188320134	/nfs/dbraw/zinc/32/01/34/188320134.db2.gz	UBJFFYYYSSVYDM-UITAMQMPSA-N	0	0	246.316	2.683	1	30		BFEFRN
Cc1coc2c1C[C@H]1O[C@@]1(C)CC[C@@H]1O[C@@]1(C)C2	ZINC000100780874	188334762	/nfs/dbraw/zinc/33/47/62/188334762.db2.gz	FNQFNSGVMLMZNV-XGUBFFRZSA-N	0	0	248.322	2.782	1	30	endogenous,in-man	BFEFRN
C=C(C)[C@@H]1[C@H](O)[C@@H]2O[C@]2(C)[C@@H]2CC[C@H](C)C[C@H]21	ZINC000045498504	188397765	/nfs/dbraw/zinc/39/77/65/188397765.db2.gz	AGVVMVNNMJUBCX-HIDDOJLPSA-N	0	0	236.355	2.763	1	30		BFEFRN
C=C(C)n1c2ccccc2n(C(=O)CCC)c1=O	ZINC000103207658	188407600	/nfs/dbraw/zinc/40/76/00/188407600.db2.gz	GVTLUNFCVWZJDG-UHFFFAOYSA-N	0	0	244.294	2.734	1	30		BFEFRN
N#C[C@@H]1CCC(c2ccc3c(c2)CCC3)=NO1	ZINC000040901063	181059103	/nfs/dbraw/zinc/05/91/03/181059103.db2.gz	ORAGRYDIQROYBE-ZDUSSCGKSA-N	0	0	226.279	2.582	1	30		BFEFRN
N#Cc1cccc(-c2ccc3ncnc(N)c3c2)c1	ZINC000148878926	181133806	/nfs/dbraw/zinc/13/38/06/181133806.db2.gz	ZCFWCGFNEWHTRE-UHFFFAOYSA-N	0	0	246.273	2.751	1	30		BFEFRN
N#Cc1nc(CSCc2ccccc2)oc1N	ZINC000001652619	181168062	/nfs/dbraw/zinc/16/80/62/181168062.db2.gz	GBFRWDKLVJUCNQ-UHFFFAOYSA-N	0	0	245.307	2.562	1	30		BFEFRN
O=C(NO)c1ccc(CCc2ccccc2)cc1	ZINC000042919833	182280584	/nfs/dbraw/zinc/28/05/84/182280584.db2.gz	LYMFLPHSLQPLEX-UHFFFAOYSA-N	0	0	241.290	2.591	1	30		BFEFRN
O=C1C(=Cc2cc[nH]n2)CCc2ccccc21	ZINC000013746653	182711775	/nfs/dbraw/zinc/71/17/75/182711775.db2.gz	VYLLEPDOPRKCHB-PKNBQFBNSA-N	0	0	224.263	2.622	1	30		BFEFRN
O=C1COc2cc(C#Cc3ccccc3)ccc21	ZINC000066080290	182769694	/nfs/dbraw/zinc/76/96/94/182769694.db2.gz	APIWERDIKNFDLK-UHFFFAOYSA-N	0	0	234.254	2.662	1	30		BFEFRN
C[C@@H]1C(=O)C=CN2c3ccccc3CC[C@H]12	ZINC000027206315	132333890	/nfs/dbraw/zinc/33/38/90/132333890.db2.gz	FBWAJLPTZNQDAJ-CMPLNLGQSA-N	0	0	213.280	2.540	1	30		BFEFRN
C#CC(C)(C)Oc1ccc(CCC(=O)OC)cc1	ZINC000103172617	166114061	/nfs/dbraw/zinc/11/40/61/166114061.db2.gz	PIUIBLKJPUWXQM-UHFFFAOYSA-N	0	0	246.306	2.583	1	30		BFEFRN
C#CCN(C)[C@H](C)[C@@H]([18F])c1ccccc1	ZINC000102908082	166161285	/nfs/dbraw/zinc/16/12/85/166161285.db2.gz	LUGLODFDTPSDMS-DTIOTQPPSA-N	0	0	204.279	2.651	1	30		BFEFRN
CC1(C)CCC[C@]2(C)C3=C(COC3=O)C(=O)C[C@@H]12	ZINC000014619279	167916695	/nfs/dbraw/zinc/91/66/95/167916695.db2.gz	DUXBZCLJTPCFOX-NHYWBVRUSA-N	0	0	248.322	2.645	1	30		BFEFRN
CC1=CC[C@]2(O1)C(C)=CC(=O)CC2(C)C	ZINC000013434462	168122244	/nfs/dbraw/zinc/12/22/44/168122244.db2.gz	PYBOFDINXIGETR-ZDUSSCGKSA-N	0	0	206.285	2.995	1	30	endogenous,in-man	BFEFRN
CC1=C[C@@H]2C[C@@]34O[C@@]3(CC(=O)O4)C(C)(C)[C@H]2CC1	ZINC000040980664	168126841	/nfs/dbraw/zinc/12/68/41/168126841.db2.gz	CGBNIHVFQQVBKM-FDRIWYBQSA-N	0	0	248.322	2.801	1	30		BFEFRN
CC[C@@]12CCC3=CC(=O)CC[C@H]3[C@@H]1CC[C@@H]2O	ZINC000029480242	171218681	/nfs/dbraw/zinc/21/86/81/171218681.db2.gz	NYNDTCWPKBQPCE-CBBWQLFWSA-N	0	0	234.339	2.853	1	30		BFEFRN
COc1ccc(/C=N\c2ccncc2)cc1	ZINC000103275595	175049915	/nfs/dbraw/zinc/04/99/15/175049915.db2.gz	WIKIDLSCWSVTJI-GDNBJRDFSA-N	0	0	212.252	2.841	1	30		BFEFRN
COc1ccc2[nH]c3c(c2c1)C(=O)C=C(C)C3=O	ZINC000034375556	175201562	/nfs/dbraw/zinc/20/15/62/175201562.db2.gz	GIIYIZNFZVCFLP-UHFFFAOYSA-N	0	0	241.246	2.502	1	30		BFEFRN
COc1ccc2cc(C#N)c(NC(C)C)nc2c1	ZINC000020105114	175224110	/nfs/dbraw/zinc/22/41/10/175224110.db2.gz	RQZBJQXOIQSDLD-UHFFFAOYSA-N	0	0	241.294	2.935	3	30		BFEFRN
COc1cccc2c1[nH]c1c2C(=O)C=C(C)C1=O	ZINC000034375559	175306718	/nfs/dbraw/zinc/30/67/18/175306718.db2.gz	AAYCCZGYVBTJFN-UHFFFAOYSA-N	0	0	241.246	2.502	1	30		BFEFRN
C[C@H]1C(=O)C=C2[C@H]1C[C@H](C(C)(C)O)CC[C@@H]2C	ZINC000028642958	177182030	/nfs/dbraw/zinc/18/20/30/177182030.db2.gz	OXURLMMPMKOJKK-WGBDABJCSA-N	0	0	236.355	2.955	1	30		BFEFRN
COC(=O)c1cc(C(=O)C=C(C)C)ccc1OC	ZINC000014489180	560221817	/nfs/dbraw/zinc/22/18/17/560221817.db2.gz	PHPCTTJFNKISSP-UHFFFAOYSA-N	0	0	248.278	2.631	1	30	biogenic,in-vitro	BFEFRN
C=C1CC[C@@H](O)[C@]2(C)CC[C@H](CC(C)(C)O)[C@@H]12	ZINC000072112174	560076280	/nfs/dbraw/zinc/07/62/80/560076280.db2.gz	UACKNRNYUIAHPT-BHPKHCPMSA-N	0	0	238.371	2.891	1	30	biogenic,in-vitro	BFEFRN
C=C1CC[C@@H](O)[C@@]23CO[C@@H]([C@@H]12)[C@H](C(C)C)CC3	ZINC000038294093	560086137	/nfs/dbraw/zinc/08/61/37/560086137.db2.gz	UGTNMBUGYLPZBY-NJVJYBDUSA-N	0	0	236.355	2.765	1	30	biogenic,in-vitro	BFEFRN
C=C(C)[C@H]1COc2cc3oc(=O)ccc3cc2O1	ZINC000003197468	560188677	/nfs/dbraw/zinc/18/86/77/560188677.db2.gz	DUECABXXAMFFBH-CYBMUJFWSA-N	0	0	244.246	2.509	3	30	biogenic,in-vitro	BFEFRN
CC1=CC[C@]2(CC1=O)[C@H](C)C[C@@H](O)[C@@H]2C(C)C	ZINC000014442529	571706422	/nfs/dbraw/zinc/70/64/22/571706422.db2.gz	ADNFCKCPNFGLCH-UXOAXIEHSA-N	0	0	236.355	2.955	1	30	endogenous,in-man	BFEFRN
C=C1Cc2occ(C)c2C(=O)[C@@]2(O)[C@H](C)CC[C@H]12	ZINC000014887505	571726995	/nfs/dbraw/zinc/72/69/95/571726995.db2.gz	CKDRPCYJCDMPFO-UEKVPHQBSA-N	0	0	246.306	2.660	1	30	endogenous,in-man	BFEFRN
CCCCCCOC(=O)C[C@H](C)S	ZINC000034049920	571749817	/nfs/dbraw/zinc/74/98/17/571749817.db2.gz	HDYQKQAKXIPCAP-VIFPVBQESA-N	0	0	204.335	2.818	1	30	endogenous,in-man	BFEFRN
C[C@@]12CC[C@@H]3[C@@H](CC3(C)C)C(=O)CC[C@@H]1O2	ZINC000003978554	571684849	/nfs/dbraw/zinc/68/48/49/571684849.db2.gz	UETZJEZFLKASPR-KOXOONSLSA-N	0	0	222.328	2.949	1	30	endogenous,in-man	BFEFRN
C=C(CO)[C@]1(O)CC[C@]2(C)CCCC(=C)[C@@H]2C1	ZINC000085756927	571788058	/nfs/dbraw/zinc/78/80/58/571788058.db2.gz	SDWGOFYIBUYAQT-KKUMJFAQSA-N	0	0	236.355	2.813	1	30	endogenous,in-man	BFEFRN
C[C@H]1C(=O)C=C[C@]2(C)CC[C@@H](C(C)(C)O)C[C@@H]12	ZINC000100779249	571830505	/nfs/dbraw/zinc/83/05/05/571830505.db2.gz	MSSWKGZMPUXALD-FJJYHAOUSA-N	0	0	236.355	2.955	1	30	endogenous,in-man	BFEFRN
C=C1[C@@H]2CC[C@H](C(C)=O)[C@H]2[C@@H](C(C)C)C[C@@H]1O	ZINC000100783340	571839482	/nfs/dbraw/zinc/83/94/82/571839482.db2.gz	JNIVOKDEGVTPPC-QRTUWBSPSA-N	0	0	236.355	2.811	1	30	endogenous,in-man	BFEFRN
C=C1C(=O)O[C@@H]2C/C(C)=C\CC[C@@]3(C)O[C@H]3C[C@@H]12	ZINC000015160622	574413837	/nfs/dbraw/zinc/41/38/37/574413837.db2.gz	RYQABBMOWVCVPW-SRJGHQRSSA-N	0	0	248.322	2.762	1	30	endogenous,in-man	BFEFRN
O=C(/C=C/c1ccc(-c2cccs2)cc1)NO	ZINC000043069073	581101737	/nfs/dbraw/zinc/10/17/37/581101737.db2.gz	OAERDJLAFVBYLK-VMPITWQZSA-N	0	0	245.303	2.934	1	30		BFEFRN
C(#Cc1nc2ccccc2s1)Cn1ccnc1	ZINC000585145457	343880982	/nfs/dbraw/zinc/88/09/82/343880982.db2.gz	VVQQLAYIKJZUJH-UHFFFAOYSA-N	0	0	239.303	2.545	2	30		BFEFRN
CC(C)=C1C[C@H]2C(=C(C)CC1=O)CC[C@H]2O	ZINC000059586702	290769231	/nfs/dbraw/zinc/76/92/31/290769231.db2.gz	IOVLSVCAUBTWBM-QWHCGFSZSA-N	0	0	220.312	2.773	1	30	biogenic,in-vitro	BFEFRN
C=C(C)[C@@H]1Cc2cc(C(C)=O)c(OC)cc2O1	ZINC000014511032	187391850	/nfs/dbraw/zinc/39/18/50/187391850.db2.gz	IYMJMWNDRCWQPW-LBPRGKRZSA-N	0	0	232.279	2.777	1	30		BFEFRN
Cc1nc2cc(C#N)ccc2n2cccc12	ZINC000169348655	180076896	/nfs/dbraw/zinc/07/68/96/180076896.db2.gz	SXCPQPNNWFPCHQ-UHFFFAOYSA-N	0	0	207.236	2.668	1	30		BFEFRN
CCCCCCCNc1nc(C#N)cnc1C#N	ZINC000082149771	168655716	/nfs/dbraw/zinc/65/57/16/168655716.db2.gz	GBMYMSHWVDNNCS-UHFFFAOYSA-N	0	0	243.314	2.602	1	30		BFEFRN
C=C(C(=O)CC)[C@@H](O)c1ccc(Cl)cc1	ZINC000084722528	187797768	/nfs/dbraw/zinc/79/77/68/187797768.db2.gz	HEDPGLCHZDEUIN-GFCCVEGCSA-N	0	0	224.687	2.909	1	30		BFEFRN
C=C1C=CC[C@@H](C)[C@@]1(C)CCC1=C[C@H](O)OC1=O	ZINC000040891603	188083735	/nfs/dbraw/zinc/08/37/35/188083735.db2.gz	DNVMNEBSCNECGO-KYOSRNDESA-N	0	0	248.322	2.727	1	30		BFEFRN
C=C1C(=O)O[C@H]2C[C@@H](C)C(/C=C/C(C)=O)=CC[C@@H]12	ZINC000001722667	188100452	/nfs/dbraw/zinc/10/04/52/188100452.db2.gz	RBRPTFMVULVGIC-MQOKGFKRSA-N	0	0	246.306	2.586	1	30		BFEFRN
C=C1C[C@@H](O)C=C(C)[C@H]2[C@@H]1CC[C@@H](O)C2(C)C	ZINC000036373635	188104253	/nfs/dbraw/zinc/10/42/53/188104253.db2.gz	BQBQOPFBRCPZOA-SYQHCUMBSA-N	0	0	236.355	2.667	1	30		BFEFRN
N#Cc1ccc(Cn2ccnc2)c2ccccc12	ZINC000028637748	188109831	/nfs/dbraw/zinc/10/98/31/188109831.db2.gz	BLSYBYJHHMRCSI-UHFFFAOYSA-N	0	0	233.274	2.956	1	30		BFEFRN
CC(C)[C@H]1CC[C@@H]2C(=O)C=C(CO)CC[C@]12C	ZINC000084725711	188142869	/nfs/dbraw/zinc/14/28/69/188142869.db2.gz	VQENMSMKAXJEAT-UMVBOHGHSA-N	0	0	236.355	2.957	1	30		BFEFRN
CCO/N=C/CC(=O)c1ccc(OCC)cc1	ZINC000103165558	188150476	/nfs/dbraw/zinc/15/04/76/188150476.db2.gz	UBLXYZCALULEPU-GXDHUFHOSA-N	0	0	235.283	2.680	1	30		BFEFRN
C=C[C@H](C)[C@H]1OC(=O)c2cc(OC)cc(OC)c21	ZINC000045194534	188216508	/nfs/dbraw/zinc/21/65/08/188216508.db2.gz	REDMJMNSWHJJAD-ISVAXAHUSA-N	0	0	248.278	2.737	1	30		BFEFRN
C=C(C)[C@@H](O)/C=C\c1ccccc1OC	ZINC000073044236	188221031	/nfs/dbraw/zinc/22/10/31/188221031.db2.gz	WSZSSUOYHWIWKN-LAUAKBEESA-N	0	0	204.269	2.645	1	30		BFEFRN
C=C1C(=O)O[C@@H]2C[C@@H](C)C(=O)C/C=C(\C)CC[C@@H]12	ZINC000015956311	188225120	/nfs/dbraw/zinc/22/51/20/188225120.db2.gz	WBBCIKNHTYTDRA-YYYMEZEWSA-N	0	0	248.322	2.810	1	30		BFEFRN
C#CCCCCOc1ccc2ccc(=O)oc2c1	ZINC000103270405	188225615	/nfs/dbraw/zinc/22/56/15/188225615.db2.gz	DELPHQSATGCEPA-UHFFFAOYSA-N	0	0	242.274	2.975	1	30		BFEFRN
O=C(NO)[C@@H](Cc1ccccc1)c1ccccc1	ZINC000045291613	182278927	/nfs/dbraw/zinc/27/89/27/182278927.db2.gz	SZZUTOJFUFBUFD-AWEZNQCLSA-N	0	0	241.290	2.518	1	30		BFEFRN
O=C(NO)[C@@H]1[C@H](c2ccccc2)[C@H]1C1CCCC1	ZINC000103251644	182279537	/nfs/dbraw/zinc/27/95/37/182279537.db2.gz	RWFKGNPIEAZMNM-MGPQQGTHSA-N	0	0	245.322	2.712	1	30		BFEFRN
Oc1cccc(/C=N\c2ccccc2)c1O	ZINC000101406552	183287940	/nfs/dbraw/zinc/28/79/40/183287940.db2.gz	IKCNVDHSEBASIB-ZROIWOOFSA-N	0	0	213.236	2.848	1	30		BFEFRN
C=CCOn1c(C=C)nc2ccc(C)cc21	ZINC000013005014	166425341	/nfs/dbraw/zinc/42/53/41/166425341.db2.gz	OSPBKNPMGPLFND-UHFFFAOYSA-N	0	0	214.268	2.602	1	30		BFEFRN
CC1=C2C=C[C@@]3(C)[C@H](CC[C@@H]3O)[C@@H]2CCC1=O	ZINC000029483451	168089421	/nfs/dbraw/zinc/08/94/21/168089421.db2.gz	NYVZYABSZXZXMK-UXOAXIEHSA-N	0	0	232.323	2.629	1	30		BFEFRN
COc1ccc(-c2ccc(O)c(/C=N/O)c2)cc1	ZINC000040420468	175034605	/nfs/dbraw/zinc/03/46/05/175034605.db2.gz	VKFBQDWUIAMZAJ-OQLLNIDSSA-N	0	0	243.262	2.876	1	30		BFEFRN
C[C@@H]1CC[C@@H](C)N1c1[nH]c2cccnc2c1C#N	ZINC000013490319	176199553	/nfs/dbraw/zinc/19/95/53/176199553.db2.gz	RUHJPAGSLSITFP-NXEZZACHSA-N	0	0	240.310	2.812	1	30		BFEFRN
C=C(C)[C@@H]1CC[C@]2(C1)C(CO)=CC(=O)C[C@H]2C	ZINC000014714043	574413617	/nfs/dbraw/zinc/41/36/17/574413617.db2.gz	JPVDGXUSNAEUIC-LALPHHSUSA-N	0	0	234.339	2.877	1	30	endogenous,in-man	BFEFRN
C[C@@H]1C[C@H]2O[C@@]23[C@@H]1[C@H]1[C@@H](CC(=O)[C@@H]3C)C1(C)C	ZINC000095912041	560057620	/nfs/dbraw/zinc/05/76/20/560057620.db2.gz	LDDQBOJJVLRDTL-IJFLORRJSA-N	0	0	234.339	2.661	1	30	biogenic,in-vitro	BFEFRN
C=C1CC[C@@H]2O[C@]2(C)CC[C@@H]2[C@@H]1C[C@@]2(C)CO	ZINC000095099169	560062628	/nfs/dbraw/zinc/06/26/28/560062628.db2.gz	XLKXIWMHACWINL-NIFZNCRKSA-N	0	0	236.355	2.909	1	30	biogenic,in-vitro	BFEFRN
C=C(C)[C@H]1C/C=C(/C)[C@@H](O)CCC2=C[C@H]1OC2=O	ZINC000085854128	560066518	/nfs/dbraw/zinc/06/65/18/560066518.db2.gz	XJUHTEFWFCFCBI-PMMOVUOPSA-N	0	0	248.322	2.522	1	30	biogenic,in-vitro	BFEFRN
C=C(C)[C@@H]1CCC(CO)=C2CC(=O)C(C)=C2C1	ZINC000014454422	560221719	/nfs/dbraw/zinc/22/17/19/560221719.db2.gz	BIWBNAFBKLFTGT-LLVKDONJSA-N	0	0	232.323	2.941	1	30	biogenic,in-vitro	BFEFRN
CC1=CC[C@]2(CC1=O)[C@H](C)C[C@H](O)[C@H]2C(C)C	ZINC000014442523	571706537	/nfs/dbraw/zinc/70/65/37/571706537.db2.gz	ADNFCKCPNFGLCH-OSRDXIQISA-N	0	0	236.355	2.955	1	30	endogenous,in-man	BFEFRN
C[C@@H]1C(=O)C=C[C@]2(C)CC[C@H](C(C)(C)O)C[C@H]12	ZINC000014452649	574413429	/nfs/dbraw/zinc/41/34/29/574413429.db2.gz	MSSWKGZMPUXALD-OHTBPHCPSA-N	0	0	236.355	2.955	1	30	endogenous,in-man	BFEFRN
CC(=O)C1=C[C@]2(C)[C@@H](C)CCC[C@H]2CC1=O	ZINC000085884093	574416841	/nfs/dbraw/zinc/41/68/41/574416841.db2.gz	XNORMQKITMTNGH-NURSFMCSSA-N	0	0	220.312	2.917	1	30	endogenous,in-man	BFEFRN
Cc1ccc(/C=N/Cc2ccncc2)c(O)c1	ZINC000018189953	178357836	/nfs/dbraw/zinc/35/78/36/178357836.db2.gz	IKJBNYYKWPKOGV-MHWRWJLKSA-N	0	0	226.279	2.715	1	30		BFEFRN
C(#Cc1ccnc(C2CC2)n1)c1ccccc1	ZINC000585144801	343880115	/nfs/dbraw/zinc/88/01/15/343880115.db2.gz	GNWVPXFPJYHQFU-UHFFFAOYSA-N	0	0	220.275	2.754	2	30		BFEFRN
C=C1C(=O)OC[C@H]1CCC(C)=CC(=O)C=C(C)C	ZINC000013366311	187741114	/nfs/dbraw/zinc/74/11/14/187741114.db2.gz	WSKLYRKBPFVGEJ-HQIZRNBFSA-N	0	0	248.322	2.977	1	30		BFEFRN
CC(=O)C1=C[C@@H]2[C@H](C(C)C)CC[C@@H](C)[C@]2(O)C1	ZINC000035050019	187766574	/nfs/dbraw/zinc/76/65/74/187766574.db2.gz	SUWIUWGENXLECJ-AQNFWKISSA-N	0	0	236.355	2.955	1	30		BFEFRN
C=C1CC[C@@H](O)[C@](C)(O)CC[C@@H]2[C@@H]1CC2(C)C	ZINC000013383874	188081510	/nfs/dbraw/zinc/08/15/10/188081510.db2.gz	XZTGVWRBZDBQLP-RGCMKSIDSA-N	0	0	238.371	2.891	1	30		BFEFRN
N#Cc1ccc(C2=NO[C@@H]3CCCC[C@@H]23)cc1	ZINC000095576762	188146264	/nfs/dbraw/zinc/14/62/64/188146264.db2.gz	QAPQNAMRJWTPBW-CHWSQXEVSA-N	0	0	226.279	2.851	1	30		BFEFRN
CC(=O)C1=CC2=C(C)C(=O)CC[C@@]2(C)CC1	ZINC000096908776	188147739	/nfs/dbraw/zinc/14/77/39/188147739.db2.gz	VGNDVIXJJLLSAH-CQSZACIVSA-N	0	0	218.296	2.981	1	30		BFEFRN
C=C(C)[C@@H]1CC[C@](C)(O)[C@H]2CC[C@](C)(O)[C@H]2C1	ZINC000039121358	188216237	/nfs/dbraw/zinc/21/62/37/188216237.db2.gz	RQHOQQOEZPFYTD-QTVXIADOSA-N	0	0	238.371	2.891	1	30	biogenic,in-vitro	BFEFRN
C#CCSc1nncn1-c1ccccc1Cl	ZINC000103282481	188225515	/nfs/dbraw/zinc/22/55/15/188225515.db2.gz	NVYBHQYUOQGSGE-UHFFFAOYSA-N	0	0	249.726	2.646	1	30		BFEFRN
C=C[C@H](c1ccccc1)C1=CC(=O)C=CC1=O	ZINC000008214930	188458717	/nfs/dbraw/zinc/45/87/17/188458717.db2.gz	GHCDJBVCFINEBQ-CYBMUJFWSA-N	0	0	224.259	2.591	3	30	in-vitro	BFEFRN
N#CC1(C#N)[C@H]2C=C[C@H](C2)[C@]1(Cl)C(F)(F)F	ZINC000004615492	181027965	/nfs/dbraw/zinc/02/79/65/181027965.db2.gz	KRHAKENVBIAMEX-LKEWCRSYSA-N	0	0	246.619	2.766	2	30		BFEFRN
N#Cc1cc2ccncc2n2c3ccccc3nc12	ZINC000049808045	181093791	/nfs/dbraw/zinc/09/37/91/181093791.db2.gz	USOASWDCZRZEGH-UHFFFAOYSA-N	0	0	244.257	2.907	1	30		BFEFRN
N#Cc1ccc(-n2cc(-c3ccccc3)nn2)cc1	ZINC000141310807	181096229	/nfs/dbraw/zinc/09/62/29/181096229.db2.gz	JHTCUQZQGIDRNX-UHFFFAOYSA-N	0	0	246.273	2.806	1	30		BFEFRN
N#Cc1ccc2[nH]c(=O)c3ccccc3c2c1	ZINC000028645730	181131812	/nfs/dbraw/zinc/13/18/12/181131812.db2.gz	DLSJMLATZDIQAM-UHFFFAOYSA-N	0	0	220.231	2.553	1	30		BFEFRN
Nc1ccccc1C(=O)/C=C/c1ccncc1	ZINC000096932251	181751889	/nfs/dbraw/zinc/75/18/89/181751889.db2.gz	YQKNFJZTJJTAOW-AATRIKPKSA-N	0	0	224.263	2.560	1	30		BFEFRN
O=c1[nH][nH]cc1C=Nc1ccccc1Cl	ZINC000101886381	183253280	/nfs/dbraw/zinc/25/32/80/183253280.db2.gz	KDRIJLFIMAMGJC-LFYBBSHMSA-N	0	0	221.647	2.519	1	30		BFEFRN
O=C(/C=C/c1ccncc1)c1nc2ccccc2[nH]1	ZINC000005316647	384109390	/nfs/dbraw/zinc/10/93/90/384109390.db2.gz	BZHNPHUIIZKXBV-AATRIKPKSA-N	0	0	249.273	2.854	1	30		BFEFRN
CC/C=C\C[C@@H]1C(=O)C=C[C@@H]1CC(=O)NC(C)C	ZINC000040865631	167861659	/nfs/dbraw/zinc/86/16/59/167861659.db2.gz	VNYSVPHXOKQONC-QLQVPFRHSA-N	0	0	249.354	2.629	1	30		BFEFRN
CC1=C2C(=O)O[C@@H](c3ccoc3)[C@]2(C)CCC1=O	ZINC000006003308	168090054	/nfs/dbraw/zinc/09/00/54/168090054.db2.gz	CGHVUSLIWOGTID-GXTWGEPZSA-N	0	0	246.262	2.563	1	30		BFEFRN
CCC(=O)C1=C(N2CCCC2)CC(C)(C)CC1=O	ZINC000003350161	168198836	/nfs/dbraw/zinc/19/88/36/168198836.db2.gz	ZITXTFISKZJYLT-UHFFFAOYSA-N	0	0	249.354	2.705	3	30		BFEFRN
COc1ccc(-c2ccc(/C=N/O)c(O)c2)cc1	ZINC000029136202	175032450	/nfs/dbraw/zinc/03/24/50/175032450.db2.gz	PIMHSZXJYJIXNF-OQLLNIDSSA-N	0	0	243.262	2.876	1	30		BFEFRN
COc1ccc(C=CC(O)=CC(C)=O)c(OC)c1	ZINC000101046789	175047174	/nfs/dbraw/zinc/04/71/74/175047174.db2.gz	JMADGRJKUVDQEB-HOGPSILUSA-N	0	0	248.278	2.748	1	30		BFEFRN
COc1ccc(/C=C/C(=O)c2ccc[nH]2)cc1	ZINC000039186921	175047625	/nfs/dbraw/zinc/04/76/25/175047625.db2.gz	KTBMAYJEAQEYNY-RMKNXTFCSA-N	0	0	227.263	2.919	1	30		BFEFRN
COc1cccc(OCC#Cc2nccs2)c1	ZINC000040567525	175282290	/nfs/dbraw/zinc/28/22/90/175282290.db2.gz	HADYUWDMEOWLFF-UHFFFAOYSA-N	0	0	245.303	2.582	1	30		BFEFRN
C[C@@H]1C[C@@H]2[C@@H]3CCC(=O)C=C3CC[C@@]2(C)[C@@H]1O	ZINC000169360042	176408166	/nfs/dbraw/zinc/40/81/66/176408166.db2.gz	USYWOLRCXBJNMO-WMESBKTJSA-N	0	0	234.339	2.709	1	30		BFEFRN
C[C@H]1CCC2=C(O1)C(=O)c1ccccc1C2=O	ZINC000006037460	177069394	/nfs/dbraw/zinc/06/93/94/177069394.db2.gz	XMZISKRNPYGBKE-QMMMGPOBSA-N	0	0	228.247	2.519	1	30		BFEFRN
C[C@H]1CC[C@@H](O)C2=CC(=O)[C@H]3[C@H](C3(C)C)[C@@]21C	ZINC000040393184	177194278	/nfs/dbraw/zinc/19/42/78/177194278.db2.gz	KDPNSOLPHGZUAY-RHVNPFLSSA-N	0	0	234.339	2.565	1	30		BFEFRN
C[C@H]1CC[C@H](O)C2=CC(=O)[C@H]3[C@H](C3(C)C)[C@@]21C	ZINC000040866043	177206080	/nfs/dbraw/zinc/20/60/80/177206080.db2.gz	KDPNSOLPHGZUAY-NQRSEGCXSA-N	0	0	234.339	2.565	1	30		BFEFRN
C=C[C@H]1CC(=O)c2cc(F)ccc2N1C(=O)OC	ZINC000040393593	534687069	/nfs/dbraw/zinc/68/70/69/534687069.db2.gz	WNFIFKYXUDUTNT-VIFPVBQESA-N	0	0	249.241	2.540	1	30		BFEFRN
C=C(C)[C@@H](O)CC[C@]1(C)[C@H]2CC[C@]1(C)[C@@H](O)C2	ZINC000095912084	560057549	/nfs/dbraw/zinc/05/75/49/560057549.db2.gz	WZPRDXQRYVCWDT-BTFPBAQTSA-N	0	0	238.371	2.891	1	30	biogenic,in-vitro	BFEFRN
C=C(C)[C@H]1CC[C@@](C)(O)[C@H]2CC[C@](C)(O)[C@H]2C1	ZINC000059588638	560082607	/nfs/dbraw/zinc/08/26/07/560082607.db2.gz	RQHOQQOEZPFYTD-LXFSFDBISA-N	0	0	238.371	2.891	1	30	biogenic,in-vitro	BFEFRN
C=C(C)[C@@H]1Cc2c(ccc3ccc(=O)oc23)O1	ZINC000013360048	560214981	/nfs/dbraw/zinc/21/49/81/560214981.db2.gz	WLRXMMDATRQQNQ-LBPRGKRZSA-N	0	0	228.247	2.673	1	30	in-vitro	BFEFRN
C=C[C@]1(CO)CC[C@@H](C(C)(C)O)C[C@H]1C(=C)C	ZINC000015149958	560228940	/nfs/dbraw/zinc/22/89/40/560228940.db2.gz	USJQEHIEUGYOFY-VNHYZAJKSA-N	0	0	238.371	2.914	1	30	biogenic,in-vitro	BFEFRN
C=C(CO)[C@]1(O)CC[C@@]2(C)CCCC(=C)[C@@H]2C1	ZINC000039187322	571754746	/nfs/dbraw/zinc/75/47/46/571754746.db2.gz	SDWGOFYIBUYAQT-ZNMIVQPWSA-N	0	0	236.355	2.813	1	30	endogenous,in-man	BFEFRN
CC(=O)C1=C[C@]2(C)[C@H](C)CCC[C@@H]2CC1=O	ZINC000085884094	571791031	/nfs/dbraw/zinc/79/10/31/571791031.db2.gz	XNORMQKITMTNGH-GLXFQSAKSA-N	0	0	220.312	2.917	1	30	endogenous,in-man	BFEFRN
C=C(C)[C@@H]1CC[C@](C)(O)[C@@H]2CC[C@](C)(O)[C@@H]2C1	ZINC000257371472	571859189	/nfs/dbraw/zinc/85/91/89/571859189.db2.gz	RQHOQQOEZPFYTD-ZSAUSMIDSA-N	0	0	238.371	2.891	1	30	endogenous,in-man	BFEFRN
C[C@@H](O)C1=C[C@]2(C)[C@H](CCC[C@@H]2C)CC1=O	ZINC000014493246	574413442	/nfs/dbraw/zinc/41/34/42/574413442.db2.gz	YAQFZWZUAZKHAL-OXIWPEFWSA-N	0	0	222.328	2.709	1	30	endogenous,in-man	BFEFRN
C=C1C(=O)O[C@@H]2C/C(C)=C\CC[C@]3(C)O[C@@H]3C[C@@H]12	ZINC000015160621	574413852	/nfs/dbraw/zinc/41/38/52/574413852.db2.gz	RYQABBMOWVCVPW-YJIKTSGISA-N	0	0	248.322	2.762	1	30	endogenous,in-man	BFEFRN
Cc1ccc(/C=C/C=C2C(=O)C=CC2=O)cc1	ZINC000072124460	178354714	/nfs/dbraw/zinc/35/47/14/178354714.db2.gz	VHVGPOCDQRUFEE-NSCUHMNNSA-N	0	0	224.259	2.643	1	30		BFEFRN
Cc1ccc2c(c1C=O)[C@@](C)(C=O)CC2(C)C	ZINC000013378864	178964708	/nfs/dbraw/zinc/96/47/08/178964708.db2.gz	TYEKKGOLTVUTJI-OAHLLOKOSA-N	0	0	230.307	2.945	1	30		BFEFRN
Cc1cccc2c3cc(C#N)ccc3c(=O)[nH]c12	ZINC000028645708	179225562	/nfs/dbraw/zinc/22/55/62/179225562.db2.gz	HEIQYCUVUQDHRX-UHFFFAOYSA-N	0	0	234.258	2.861	1	30		BFEFRN
Cc1ccccc1NC(=O)/N=C1\CCCN1C	ZINC000169315544	179297744	/nfs/dbraw/zinc/29/77/44/179297744.db2.gz	AOUAHDPIQAVTPT-NTCAYCPXSA-N	0	0	231.299	2.651	1	30		BFEFRN
C[C@@H]1CC(=O)C=C2[C@H](O)C[C@@H]3[C@@H](C3(C)C)[C@]21C	ZINC000014856017	187416529	/nfs/dbraw/zinc/41/65/29/187416529.db2.gz	ALMYSFNKELLWOO-XANOUDBCSA-N	0	0	234.339	2.565	1	30	biogenic,in-vitro	BFEFRN
C=C1C(=O)O[C@@H]2/C=C(\C)CC/C=C(\C)CC[C@@]12O	ZINC000006019113	187741253	/nfs/dbraw/zinc/74/12/53/187741253.db2.gz	AZKRCCHLNBJNOK-HZAIZTQPSA-N	0	0	248.322	2.666	1	30		BFEFRN
C=CCn1cc(-c2cc(CCC)ccc2O)nn1	ZINC000084587769	188098321	/nfs/dbraw/zinc/09/83/21/188098321.db2.gz	RENQMUYHPXNCMS-UHFFFAOYSA-N	0	0	243.310	2.789	1	30		BFEFRN
CC(C)C[C@H](C=O)NC(=O)OCc1ccccc1	ZINC000027620267	188109915	/nfs/dbraw/zinc/10/99/15/188109915.db2.gz	SEWLQRPKYMZHDM-CYBMUJFWSA-N	0	0	249.310	2.526	1	30		BFEFRN
N#Cc1cccc(-n2cc(-c3cccnc3)cn2)c1	ZINC000103224471	188150366	/nfs/dbraw/zinc/15/03/66/188150366.db2.gz	QLUSBZDBHPULKC-UHFFFAOYSA-N	0	0	246.273	2.806	1	30		BFEFRN
Cc1coc2c1C[C@@H]1O[C@@]1(C)CC[C@H]1O[C@]1(C)C2	ZINC000005663086	188157761	/nfs/dbraw/zinc/15/77/61/188157761.db2.gz	FNQFNSGVMLMZNV-CBBWQLFWSA-N	0	0	248.322	2.782	1	30	in-man	BFEFRN
C=CCn1c(C)cs/c1=N\N=C\c1ccco1	ZINC000169338350	188161943	/nfs/dbraw/zinc/16/19/43/188161943.db2.gz	BNZPMHAPEHHXJA-LOLOATOISA-N	0	0	247.323	2.572	1	30		BFEFRN
CN1CCCC/C1=N\C(=O)Nc1ccccc1	ZINC000169315617	188161960	/nfs/dbraw/zinc/16/19/60/188161960.db2.gz	MMNUVEJHPQKMEN-NTCAYCPXSA-N	0	0	231.299	2.733	1	30		BFEFRN
C=C1C(=O)O[C@@H](C)C[C@H]1c1ccccc1OC	ZINC000045253599	188216432	/nfs/dbraw/zinc/21/64/32/188216432.db2.gz	RBWQIKWOOAVWMZ-JOYOIKCWSA-N	0	0	232.279	2.670	1	30		BFEFRN
C=C1C/C=C/C(C)(C)C[C@@H](O)/C(C)=C/C[C@@H]1O	ZINC000169291802	188433968	/nfs/dbraw/zinc/43/39/68/188433968.db2.gz	QETDLTFNRYOLAT-ATJPOXMGSA-N	0	0	236.355	2.977	1	30		BFEFRN
N#C[C@H](N=O)c1nc2ccccc2s1	ZINC000045235903	181064895	/nfs/dbraw/zinc/06/48/95/181064895.db2.gz	RJGUIRNSOFOCNA-ZETCQYMHSA-N	0	0	203.226	2.627	1	30		BFEFRN
N#Cc1ccc2[nH]c3c(c2c1)CCc1c[nH]nc1-3	ZINC000038589908	181130928	/nfs/dbraw/zinc/13/09/28/181130928.db2.gz	IDSXKKJVMJVBRG-UHFFFAOYSA-N	0	0	234.262	2.528	1	30		BFEFRN
N#Cc1sc(Oc2ccccc2)c(C#N)c1N	ZINC000013556999	181178492	/nfs/dbraw/zinc/17/84/92/181178492.db2.gz	VIBSNMQODJMPMI-UHFFFAOYSA-N	0	0	241.275	2.866	1	30		BFEFRN
O=C(/C=C/c1cccc([N+](=O)[O-])c1)C(F)(F)F	ZINC000026388579	181839872	/nfs/dbraw/zinc/83/98/72/181839872.db2.gz	NWOWAPJGBPISJI-SNAWJCMRSA-N	0	0	245.156	2.739	1	30		BFEFRN
O=C(NO)c1ccc2c(c1)Nc1ccccc1O2	ZINC000036222766	182280386	/nfs/dbraw/zinc/28/03/86/182280386.db2.gz	QGJCQXBZXWKIRV-UHFFFAOYSA-N	0	0	242.234	2.655	1	30		BFEFRN
O=C1[C@H]2O[C@]23CCCC[C@H]3[C@@H]1c1ccccc1	ZINC000103288428	182841821	/nfs/dbraw/zinc/84/18/21/182841821.db2.gz	QQEHLVALVYPRFH-VIRABCJISA-N	0	0	228.291	2.681	1	30		BFEFRN
O[C@H]1CCCc2nc(C#Cc3ccccc3)ccc21	ZINC000028967984	183238698	/nfs/dbraw/zinc/23/86/98/183238698.db2.gz	VUDNTKZUIAXLLZ-KRWDZBQOSA-N	0	0	249.313	2.851	1	30	in-vivo	BFEFRN
Oc1ccc(/N=C/c2cc(F)ccc2O)cc1	ZINC000064485729	183267481	/nfs/dbraw/zinc/26/74/81/183267481.db2.gz	DMNWPRBTFLCRKO-OVCLIPMQSA-N	0	0	231.226	2.988	1	30		BFEFRN
CC(C)=C/C=C1\O[C@@H]2CC(C)=CC(=O)[C@@H]2[C@]1(C)O	ZINC000013377408	384663177	/nfs/dbraw/zinc/66/31/77/384663177.db2.gz	GNWNPLBSEQDDQV-FRPWFYLFSA-N	0	0	248.322	2.522	1	30		BFEFRN
CC(C)C/C=C(\CO)C(=O)c1ccccc1	ZINC000040564754	166742908	/nfs/dbraw/zinc/74/29/08/166742908.db2.gz	FAHSTRRIAZWDQT-UKTHLTGXSA-N	0	0	218.296	2.834	1	30		BFEFRN
C(=NN=c1[nH]c2ccccc2o1)c1ccccn1	ZINC000040575759	166229390	/nfs/dbraw/zinc/22/93/90/166229390.db2.gz	CBTWTJWZPKFAKO-OQLLNIDSSA-N	0	0	238.250	2.669	1	30		BFEFRN
CC1(C)CC(=O)C=C(c2cccc(CO)c2)C1	ZINC000036389296	167883202	/nfs/dbraw/zinc/88/32/02/167883202.db2.gz	NCYFGNLUDQSMEB-UHFFFAOYSA-N	0	0	230.307	2.951	3	30		BFEFRN
CC1(C)[C@H]2CC[C@@H]1C(=O)[C@@]1(C=CC(=O)CC1)C2	ZINC000005757339	168009820	/nfs/dbraw/zinc/00/98/20/168009820.db2.gz	SGDVJUNELXGLNJ-JVLSTEMRSA-N	0	0	232.323	2.917	1	30		BFEFRN
Cc1ccn2c(cc3c2C(=O)C(C)=C(C)C3=O)c1	ZINC000073221242	168080718	/nfs/dbraw/zinc/08/07/18/168080718.db2.gz	GFHIMLJDDVSFAX-UHFFFAOYSA-N	0	0	239.274	2.963	1	30		BFEFRN
CC1=C(CC[C@H](C)O)C(C)(C)CCC1=O	ZINC000014487741	168086381	/nfs/dbraw/zinc/08/63/81/168086381.db2.gz	KNHUHSLRIKTCIY-VIFPVBQESA-N	0	0	210.317	2.853	1	30	biogenic,in-vitro	BFEFRN
CC1=C2CC[C@]3(C)[C@H](CC[C@@H]3O)[C@@H]2CCC1=O	ZINC000029474583	168090371	/nfs/dbraw/zinc/09/03/71/168090371.db2.gz	DCEFUYKVMXITER-RJZRQDKASA-N	0	0	234.339	2.853	1	30		BFEFRN
CC1=CC[C@@]2(O1)C(C)=CC(=O)CC2(C)C	ZINC000013434460	168120927	/nfs/dbraw/zinc/12/09/27/168120927.db2.gz	PYBOFDINXIGETR-CYBMUJFWSA-N	0	0	206.285	2.995	1	30	endogenous,in-man	BFEFRN
CC[C@@H]1COC(=C2Sc3ccccc3C2=O)N1	ZINC000084739016	171103511	/nfs/dbraw/zinc/10/35/11/171103511.db2.gz	BNHBMLAFLLWLAU-HFNCJKPHSA-N	0	0	247.319	2.543	1	30		BFEFRN
COc1ccc(/C(=N/O)c2ccccc2)cc1	ZINC000006018126	175045258	/nfs/dbraw/zinc/04/52/58/175045258.db2.gz	PHKAHRGUQKGTCV-CCEZHUSRSA-N	0	0	227.263	2.922	1	30		BFEFRN
COc1ccc2c(c1)[nH]c1c2C(=O)C(C)=CC1=O	ZINC000040429905	175223466	/nfs/dbraw/zinc/22/34/66/175223466.db2.gz	FBXPHUZRLGTRFW-UHFFFAOYSA-N	0	0	241.246	2.502	1	30	endogenous,in-man	BFEFRN
COc1ccc2c(c1)[nH]c1c2C(=O)C=C(C)C1=O	ZINC000034375558	175223577	/nfs/dbraw/zinc/22/35/77/175223577.db2.gz	WKMGFERJJLAONB-UHFFFAOYSA-N	0	0	241.246	2.502	1	30		BFEFRN
C[C@H]1C[C@H]2[C@@H]3CCC(=O)C=C3CC[C@@]2(C)[C@@H]1O	ZINC000029475474	177387501	/nfs/dbraw/zinc/38/75/01/177387501.db2.gz	USYWOLRCXBJNMO-KGKICYMHSA-N	0	0	234.339	2.709	1	30		BFEFRN
C=C1CC[C@@]2(C(C)C)O[C@H]2[C@@H]2[C@@H]1CC[C@]2(C)O	ZINC000026832508	560091801	/nfs/dbraw/zinc/09/18/01/560091801.db2.gz	DHOMMAYDBREASS-QTVXIADOSA-N	0	0	236.355	2.907	1	30	biogenic,in-vitro	BFEFRN
CC1=C2C[C@@]3(C)C(=CC(=O)C[C@@H]3C)C=C2OC1=O	ZINC000095914113	560056019	/nfs/dbraw/zinc/05/60/19/560056019.db2.gz	UUHIOHRKWZKCRA-VXJOIVPMSA-N	0	0	244.290	2.689	1	30	biogenic,in-vitro	BFEFRN
Cc1c(O)c(O)cc2c1C(=O)C=C(C)C2(C)C	ZINC000095098976	560062860	/nfs/dbraw/zinc/06/28/60/560062860.db2.gz	QLIFNOZKBHRYRO-UHFFFAOYSA-N	0	0	232.279	2.826	1	30	biogenic,in-vitro	BFEFRN
C=C1CC[C@H](C(C)C)[C@H]2C=C(CO)C(=O)C[C@H]12	ZINC000085553769	560071826	/nfs/dbraw/zinc/07/18/26/560071826.db2.gz	GFIMKBMHXOTRJW-MGPQQGTHSA-N	0	0	234.339	2.733	1	30	biogenic,in-vitro	BFEFRN
C=C1CC[C@H](O)[C@@]2(C)CC[C@@H]([C@@H](O)C(C)C)[C@H]12	ZINC000040872766	560078941	/nfs/dbraw/zinc/07/89/41/560078941.db2.gz	OZBVMKPZPKMEGY-CAEXGNQWSA-N	0	0	238.371	2.747	1	30	biogenic,in-vitro	BFEFRN
O=C1C=C[C@](O)(C/C=C/c2ccccc2)CC1	ZINC000048998443	560085135	/nfs/dbraw/zinc/08/51/35/560085135.db2.gz	MNSSTBQBMIUDKC-NFBGWVBBSA-N	0	0	228.291	2.740	1	30	biogenic,in-vitro	BFEFRN
CC1=CC[C@]2(CC1=O)[C@H](C)C[C@@H](O)[C@H]2C(C)C	ZINC000014442527	571706473	/nfs/dbraw/zinc/70/64/73/571706473.db2.gz	ADNFCKCPNFGLCH-GBOPCIDUSA-N	0	0	236.355	2.955	1	30	endogenous,in-man	BFEFRN
C=C1C(=O)O[C@@H]2C/C(C)=C\CC/C(C)=C\[C@H](O)[C@H]12	ZINC000014453450	571708734	/nfs/dbraw/zinc/70/87/34/571708734.db2.gz	FRDLPOYYWWRSPZ-PWHIHHCVSA-N	0	0	248.322	2.522	1	30	endogenous,in-man	BFEFRN
C=C1Cc2occ(C)c2C(=O)[C@@]2(O)[C@@H](C)CC[C@@H]12	ZINC000014887517	571727007	/nfs/dbraw/zinc/72/70/07/571727007.db2.gz	CKDRPCYJCDMPFO-ZIBATOQPSA-N	0	0	246.306	2.660	1	30	endogenous,in-man	BFEFRN
C=C1C(=O)O[C@H]2C[C@H](C)C(/C=C\C(C)=O)=CC[C@@H]12	ZINC000004983277	571687840	/nfs/dbraw/zinc/68/78/40/571687840.db2.gz	RBRPTFMVULVGIC-WDZCRSBBSA-N	0	0	246.306	2.586	1	30	endogenous,in-man	BFEFRN
C[C@H]1C(=O)C=C[C@]2(C)CC[C@@H](C(C)(C)O)C[C@H]12	ZINC000100779252	571830458	/nfs/dbraw/zinc/83/04/58/571830458.db2.gz	MSSWKGZMPUXALD-BLTAXRJOSA-N	0	0	236.355	2.955	1	30	endogenous,in-man	BFEFRN
C=C(C)[C@@H]1CC[C@]2(C1)[C@@H](C)CC(=O)C[C@@H]2CO	ZINC000230083134	571852729	/nfs/dbraw/zinc/85/27/29/571852729.db2.gz	YKAYVNCAHDGJNI-JLNYLFASSA-N	0	0	236.355	2.957	1	30	endogenous,in-man	BFEFRN
C=C(C)[C@@H]1CC[C@](C)(O)[C@@H]2CC[C@](C)(O)[C@H]2C1	ZINC000257371470	571858791	/nfs/dbraw/zinc/85/87/91/571858791.db2.gz	RQHOQQOEZPFYTD-MRLBHPIUSA-N	0	0	238.371	2.891	1	30	endogenous,in-man	BFEFRN
CCCCCCCCn1cc2c(n1)ncnc2N	ZINC000034633669	581091913	/nfs/dbraw/zinc/09/19/13/581091913.db2.gz	MPAKAILKZIXZGD-UHFFFAOYSA-N	0	0	247.346	2.769	1	30		BFEFRN
Cc1cc(Cl)ccc1C=C1C(=O)C=CC1=O	ZINC000049679114	178066976	/nfs/dbraw/zinc/06/69/76/178066976.db2.gz	VYQCGLSQVFJHIQ-UHFFFAOYSA-N	0	0	232.666	2.740	1	30		BFEFRN
C[C@@H]1C(=O)C=C[C@]2(C)CC[C@@H](C(C)(C)O)C[C@H]12	ZINC000100779253	571830431	/nfs/dbraw/zinc/83/04/31/571830431.db2.gz	MSSWKGZMPUXALD-YFCNSXCBSA-N	0	0	236.355	2.955	1	30	endogenous,in-man	BFEFRN
CCCCCCCCC[C@@H](O)CNC(C)=O	ZINC000096913209	168651360	/nfs/dbraw/zinc/65/13/60/168651360.db2.gz	XAXBRBPUKYGRTP-CYBMUJFWSA-N	0	0	229.364	2.624	1	30		BFEFRN
CC1=CCCC[C@@H]1[C@@H]1C=CC(=O)[C@@H](C)O1	ZINC000169317454	187816118	/nfs/dbraw/zinc/81/61/18/187816118.db2.gz	JJHADUXKXOHJIL-MDZLAQPJSA-N	0	0	206.285	2.645	1	30		BFEFRN
C=C1CC[C@@H](O)[C@]2(C)CC[C@@H](C(C)C)C[C@@]12O	ZINC000032296294	188060812	/nfs/dbraw/zinc/06/08/12/188060812.db2.gz	CKGNGZNSTIOFOY-APIJFGDWSA-N	0	0	238.371	2.891	1	30	biogenic,in-vitro	BFEFRN
CC(=O)/C=C\C1=C(C)C(=O)CCC1(C)C	ZINC000028541802	188110061	/nfs/dbraw/zinc/11/00/61/188110061.db2.gz	OBHGOXFSRVNKBS-WAYWQWQTSA-N	0	0	206.285	2.837	1	30	biogenic,in-vitro	BFEFRN
CNC(=S)[C@@]1(c2cccnc2)CCCS1	ZINC000013651039	188105664	/nfs/dbraw/zinc/10/56/64/188105664.db2.gz	CJDIUYZQGNXWRB-NSHDSACASA-N	0	0	238.381	2.762	1	30		BFEFRN
Cc1nn(C)c(/C=C/c2ccccc2)c1C#N	ZINC000049125718	188124431	/nfs/dbraw/zinc/12/44/31/188124431.db2.gz	JRLHMEHYGPDCRL-CMDGGOBGSA-N	0	0	223.279	2.771	1	30		BFEFRN
CC(C)NC1=CC(=O)c2ccccc2C1=O	ZINC000100879593	188150005	/nfs/dbraw/zinc/15/00/05/188150005.db2.gz	OKTUATCEPFBSPR-KAMYIIQDSA-N	0	0	215.252	2.631	1	30		BFEFRN
C=CCc1cc(C(OC)OC)sc1[N+](=O)[O-]	ZINC000026257082	188416206	/nfs/dbraw/zinc/41/62/06/188416206.db2.gz	LASRHHANIPRLSA-UHFFFAOYSA-N	0	0	243.284	2.676	1	30		BFEFRN
N#Cc1ccc2ccc3nc4ncccc4n3c2c1	ZINC000072176291	181133196	/nfs/dbraw/zinc/13/31/96/181133196.db2.gz	PWTXLUJMDBZYHX-UHFFFAOYSA-N	0	0	244.257	2.907	1	30		BFEFRN
N#Cc1cccc(C=CC(=O)C2OC=CC2=O)c1	ZINC000103176786	181134952	/nfs/dbraw/zinc/13/49/52/181134952.db2.gz	VAXMVYWWJBUULF-SNAWJCMRSA-N	0	0	239.230	2.753	1	30		BFEFRN
O=C(NO)c1ccc2cc(Cl)ccc2c1	ZINC000014980430	182280470	/nfs/dbraw/zinc/28/04/70/182280470.db2.gz	JZBJTZUKTGJIEU-UHFFFAOYSA-N	0	0	221.643	2.612	1	30		BFEFRN
O=C1ON=C(c2cccs2)/C1=C/c1ccoc1	ZINC000034800384	182835129	/nfs/dbraw/zinc/83/51/29/182835129.db2.gz	ZCXYAKNQZPCDGA-TWGQIWQCSA-N	0	0	245.259	2.686	1	30		BFEFRN
Oc1ccc(/N=C/c2cc(O)cc(O)c2)cc1	ZINC000003986372	183267181	/nfs/dbraw/zinc/26/71/81/183267181.db2.gz	XZFRKTZPIMAWOE-RIYZIHGNSA-N	0	0	229.235	2.554	1	30		BFEFRN
O=c1cccc2[nH]c(C#Cc3ccccn3)ccc1-2	ZINC000095590577	183299047	/nfs/dbraw/zinc/29/90/47/183299047.db2.gz	NIXDUPLMLIKEAI-UHFFFAOYSA-N	0	0	246.269	2.735	1	30		BFEFRN
C=CCNc1[nH]c2ccccc2c1C(=O)OC	ZINC000040420669	166407325	/nfs/dbraw/zinc/40/73/25/166407325.db2.gz	VXQASYQCVNMSAS-UHFFFAOYSA-N	0	0	230.267	2.552	1	30		BFEFRN
CC(=O)c1sc(N=NCc2ccco2)nc1C	ZINC000008656598	166493272	/nfs/dbraw/zinc/49/32/72/166493272.db2.gz	GDNQDFONCRMUQF-WUXMJOGZSA-N	0	0	249.295	2.693	1	30		BFEFRN
CC/C=C\C[C@H]1C(=O)C=C[C@H]1CC(=O)NC(C)C	ZINC000040865625	167861247	/nfs/dbraw/zinc/86/12/47/167861247.db2.gz	VNYSVPHXOKQONC-AGFGORMFSA-N	0	0	249.354	2.629	1	30		BFEFRN
Cc1cc(O)c(C(C)C)c2c1C(=O)C(=O)C(C)=C2	ZINC000014445073	168133177	/nfs/dbraw/zinc/13/31/77/168133177.db2.gz	KAIIHLMDZDKJOC-UHFFFAOYSA-N	0	0	244.290	2.993	1	30	biogenic,in-vitro	BFEFRN
CCC(=N\O)/C(C)=C/c1ccc(OC)nc1	ZINC000049035311	168196598	/nfs/dbraw/zinc/19/65/98/168196598.db2.gz	PXDWCZGBDFEEIA-DTCTWCMCSA-N	0	0	220.272	2.734	1	30		BFEFRN
COc1ccc(/C(=N\O)Nc2ccccc2)cc1	ZINC000072103658	175045549	/nfs/dbraw/zinc/04/55/49/175045549.db2.gz	QZRKSVLUFDVMJX-UHFFFAOYSA-N	0	0	242.278	2.943	1	30		BFEFRN
COc1ccc(C=CC=C2C(=O)CCC2=O)cc1	ZINC000169322435	175047022	/nfs/dbraw/zinc/04/70/22/175047022.db2.gz	QDBFSNFHAJCECI-NSCUHMNNSA-N	0	0	242.274	2.567	1	30		BFEFRN
C[C@@H](C#N)NC(=O)O[C@@H](C)CC1CCCCC1	ZINC000028469911	175598205	/nfs/dbraw/zinc/59/82/05/175598205.db2.gz	GMJXHTSWDYHBCL-QWRGUYRKSA-N	0	0	238.331	2.984	1	30		BFEFRN
C[C@@H]1CCC2=C(O1)C(=O)c1ccccc1C2=O	ZINC000006030778	176062385	/nfs/dbraw/zinc/06/23/85/176062385.db2.gz	XMZISKRNPYGBKE-MRVPVSSYSA-N	0	0	228.247	2.519	1	30		BFEFRN
C[C@]12CC[C@H](O)C[C@]1(C#N)CC=C1CC[C@H]12	ZINC000027559641	177483907	/nfs/dbraw/zinc/48/39/07/177483907.db2.gz	PBXWXLDOTGIFLF-DGAVXFQQSA-N	0	0	217.312	2.788	1	30		BFEFRN
C=C1[C@H]2CC[C@H]([C@@H]2OC)[C@]1(C)CCC=O	ZINC000085546658	560070585	/nfs/dbraw/zinc/07/05/85/560070585.db2.gz	JWXGUOJEQFYZNG-FDYHWXHSSA-N	0	0	208.301	2.583	1	30	biogenic,in-vitro	BFEFRN
C=C(C)[C@@H]1CC[C@@]2(O)[C@@H](O)CC[C@@H](C)[C@]2(C)C1	ZINC000040834288	560078775	/nfs/dbraw/zinc/07/87/75/560078775.db2.gz	SYQOXUZXBKCNIB-NIFZNCRKSA-N	0	0	238.371	2.891	1	30	biogenic,in-vitro	BFEFRN
C=C1C[C@H](O)C[C@@]2(C)CC[C@@H](C(C)(C)O)C[C@H]12	ZINC000033833418	560088114	/nfs/dbraw/zinc/08/81/14/560088114.db2.gz	XZXBGGYJQALVAW-QVHKTLOISA-N	0	0	238.371	2.891	1	30	biogenic,in-vitro	BFEFRN
C=C1C(=O)O[C@H]2C[C@@H](C)C(/C=C\C(C)=O)=CC[C@@H]12	ZINC000004983275	571687794	/nfs/dbraw/zinc/68/77/94/571687794.db2.gz	RBRPTFMVULVGIC-BCBVQEBBSA-N	0	0	246.306	2.586	1	30	endogenous,in-man	BFEFRN
C=C(C)[C@H]1CC[C@@]2(C1)C(CO)=CC(=O)C[C@H]2C	ZINC000062611956	571771636	/nfs/dbraw/zinc/77/16/36/571771636.db2.gz	JPVDGXUSNAEUIC-XUJVJEKNSA-N	0	0	234.339	2.877	1	30	endogenous,in-man	BFEFRN
C=C(C)[C@@H]1CC[C@]2(C1)[C@H](C)C[C@H](O)C[C@H]2C=O	ZINC000095661487	571800945	/nfs/dbraw/zinc/80/09/45/571800945.db2.gz	CEVNHRPKRNTGKO-MRLBHPIUSA-N	0	0	236.355	2.955	1	30	endogenous,in-man	BFEFRN
C[C@@H](O)C1=C[C@@]2(C)[C@H](CCC[C@@H]2C)CC1=O	ZINC000014493252	574413467	/nfs/dbraw/zinc/41/34/67/574413467.db2.gz	YAQFZWZUAZKHAL-ICUOPCATSA-N	0	0	222.328	2.709	1	30	endogenous,in-man	BFEFRN
C[C@H](O)C1=C[C@@]2(C)[C@H](CCC[C@@H]2C)CC1=O	ZINC000014493255	574413471	/nfs/dbraw/zinc/41/34/71/574413471.db2.gz	YAQFZWZUAZKHAL-KZWBYHQPSA-N	0	0	222.328	2.709	1	30	endogenous,in-man	BFEFRN
C=C1C(=O)O[C@@H]2C/C(C)=C\CC[C@@]3(C)O[C@@H]3C[C@@H]12	ZINC000015160620	574413834	/nfs/dbraw/zinc/41/38/34/574413834.db2.gz	RYQABBMOWVCVPW-YUKVIWMZSA-N	0	0	248.322	2.762	1	30	endogenous,in-man	BFEFRN
C=C1C(=O)O[C@@H]2C[C@@]3(C)O[C@@H]3CC/C(C)=C\C[C@H]12	ZINC000015160611	574413835	/nfs/dbraw/zinc/41/38/35/574413835.db2.gz	ACDBVOJKXAGTJM-LKQWVPANSA-N	0	0	248.322	2.762	1	30	endogenous,in-man	BFEFRN
C=C(CO)[C@@]1(O)CC[C@@]2(C)CCCC(=C)[C@H]2C1	ZINC000015206527	574413857	/nfs/dbraw/zinc/41/38/57/574413857.db2.gz	SDWGOFYIBUYAQT-RBSFLKMASA-N	0	0	236.355	2.813	1	30	endogenous,in-man	BFEFRN
CC(=O)C1=C[C@]2(C)[C@H](C)CCC[C@H]2CC1=O	ZINC000085884091	574416845	/nfs/dbraw/zinc/41/68/45/574416845.db2.gz	XNORMQKITMTNGH-OLUVUFQESA-N	0	0	220.312	2.917	1	30	endogenous,in-man	BFEFRN
Cc1cc(O)c([C@H](C)CC[C@@H]2CO2)cc1O	ZINC000095578451	178197292	/nfs/dbraw/zinc/19/72/92/178197292.db2.gz	FULYBNTZVJWXBZ-PSASIEDQSA-N	0	0	222.284	2.689	1	30		BFEFRN
Cc1cc2oc(=N)c(C#N)c(C)c2cc1C	ZINC000005832853	178307192	/nfs/dbraw/zinc/30/71/92/178307192.db2.gz	NWSCWFLDOLSGEB-UHFFFAOYSA-N	0	0	212.252	2.709	1	30		BFEFRN
Cc1ccc(-c2c3c(nc(N)c2C#N)CCC3)o1	ZINC000034935103	178315648	/nfs/dbraw/zinc/31/56/48/178315648.db2.gz	WHNKUKRKJZVMIM-UHFFFAOYSA-N	0	0	239.278	2.593	1	30		BFEFRN
C=C(C)[C@H]1CC[C@]2(C1)C(CO)=CC(=O)C[C@H]2C	ZINC000062611950	571771337	/nfs/dbraw/zinc/77/13/37/571771337.db2.gz	JPVDGXUSNAEUIC-TYNCELHUSA-N	0	0	234.339	2.877	1	30	endogenous,in-man	BFEFRN
Cc1ccc(C2=NO[C@H](C#N)CC2)cc1C	ZINC000040914176	178513950	/nfs/dbraw/zinc/51/39/50/178513950.db2.gz	AZIURFRVJKPFAP-LBPRGKRZSA-N	0	0	214.268	2.710	1	30		BFEFRN
C(#Cc1ccc(C2CC2)nn1)c1ccccc1	ZINC000585145024	343880393	/nfs/dbraw/zinc/88/03/93/343880393.db2.gz	SYFZQVCBTHIHPQ-UHFFFAOYSA-N	0	0	220.275	2.754	2	30		BFEFRN
Cc1ccc([C@H](C)CC[C@@H]2CO2)c(O)c1	ZINC000095574275	178882648	/nfs/dbraw/zinc/88/26/48/178882648.db2.gz	WPRTXGAWWGDEDU-GHMZBOCLSA-N	0	0	206.285	2.983	1	30		BFEFRN
C=C(C)[C@H]1CC[C@@]2(C1)[C@H](C)C[C@H](O)C[C@@H]2O	ZINC000086049265	290767358	/nfs/dbraw/zinc/76/73/58/290767358.db2.gz	ZFLAQNRXNIGIQD-IKOXMDCHSA-N	0	0	224.344	2.501	1	30	biogenic,in-vitro	BFEFRN
C=C1CC[C@@H](O)[C@]2(C)CC[C@H](C(C)C)[C@@H](O)[C@H]12	ZINC000036405886	187413364	/nfs/dbraw/zinc/41/33/64/187413364.db2.gz	WKKJGHCXVKEJNU-QMIVOQANSA-N	0	0	238.371	2.747	1	30	biogenic,in-vitro	BFEFRN
C/C(=N\OCCCCO)c1ccc(Cl)cc1	ZINC000169332862	187475106	/nfs/dbraw/zinc/47/51/06/187475106.db2.gz	YZVWDUAHSIBCPM-GXDHUFHOSA-N	0	0	241.718	2.853	1	30		BFEFRN
C=C1[C@H](O)CC(C)(C)[C@@H]1C[C@@H]1C[C@H](O)C=C1C	ZINC000034456100	187720047	/nfs/dbraw/zinc/72/00/47/187720047.db2.gz	FJECUPOJMUFFHN-REWJHTLYSA-N	0	0	236.355	2.667	1	30		BFEFRN
N#C[C@@H](c1nc2ccccc2[nH]1)c1ccccn1	ZINC000005594058	187758314	/nfs/dbraw/zinc/75/83/14/187758314.db2.gz	VFXXZVZZYCCKAQ-SNVBAGLBSA-N	0	0	234.262	2.613	1	30		BFEFRN
CC(C)(c1ccc(C#N)cc1)n1ccnc1	ZINC000028638467	187765133	/nfs/dbraw/zinc/76/51/33/187765133.db2.gz	SQKZHKLOFPAJCP-UHFFFAOYSA-N	0	0	211.268	2.538	1	30		BFEFRN
CC(NCCc1ccccc1)=C1CCOC1=O	ZINC000103047666	187803885	/nfs/dbraw/zinc/80/38/85/187803885.db2.gz	XHAKNZVJEOQFDA-PTNGSMBKSA-N	0	0	231.295	2.880	1	30		BFEFRN
C=C1C(=O)O[C@H](C)C[C@@H]1c1ccc(OC)cc1	ZINC000045259417	187867071	/nfs/dbraw/zinc/86/70/71/187867071.db2.gz	VAIJGSKOZOHYQQ-RNCFNFMXSA-N	0	0	232.279	2.670	1	30		BFEFRN
Cc1cccc(C#Cc2cccc([N+](=O)[O-])c2)n1	ZINC000028369214	188060023	/nfs/dbraw/zinc/06/00/23/188060023.db2.gz	PGFOPILFCBXMFO-UHFFFAOYSA-N	0	0	238.246	2.698	1	30		BFEFRN
C=C1CCC(=O)[C@@H](C)CC[C@@H]2[C@H]1C[C@]2(C)O	ZINC000034409157	188060612	/nfs/dbraw/zinc/06/06/12/188060612.db2.gz	SNRJRYXYMKILLJ-FMSGJZPZSA-N	0	0	222.328	2.709	1	30		BFEFRN
C=C(C)C#Cc1c(C)c(OC)c(OC)cc1OC	ZINC000013370350	188082306	/nfs/dbraw/zinc/08/23/06/188082306.db2.gz	CPPLWBNAWKMJON-UHFFFAOYSA-N	0	0	246.306	2.948	1	30	in-vitro	BFEFRN
CC1(C)[C@@H]2CC[C@H]1C(=O)[C@@]1(C=CC(=O)CC1)C2	ZINC000005742297	188102561	/nfs/dbraw/zinc/10/25/61/188102561.db2.gz	SGDVJUNELXGLNJ-IFUGULHKSA-N	0	0	232.323	2.917	1	30		BFEFRN
C=C(C)[C@H](O)/C=C/c1ccccc1OC	ZINC000007992230	188104065	/nfs/dbraw/zinc/10/40/65/188104065.db2.gz	WSZSSUOYHWIWKN-IDVQTMNDSA-N	0	0	204.269	2.645	1	30		BFEFRN
CC(C)(C)/C=C/C(=O)C[C@@H](O)C(C)(C)C	ZINC000040564509	188118443	/nfs/dbraw/zinc/11/84/43/188118443.db2.gz	TWPKYXKVCQTAHK-WSKFYRRCSA-N	0	0	212.333	2.955	1	30		BFEFRN
COc1cc(O)c(C(=O)C=C(C)C)cc1OC	ZINC000000400334	188204339	/nfs/dbraw/zinc/20/43/39/188204339.db2.gz	OSURYTKHOFOPLA-UHFFFAOYSA-N	0	0	236.267	2.558	1	30		BFEFRN
C=C1C(=O)O[C@H]2/C=C(\C)CC/C=C(/C)C[C@H](O)[C@@H]12	ZINC000016977072	188225416	/nfs/dbraw/zinc/22/54/16/188225416.db2.gz	PDEJECFRCJOMEN-ZNJKZWBCSA-N	0	0	248.322	2.522	1	30		BFEFRN
N#C/C=c1/c2ccccc2n2nc3ccccc3c12	ZINC000031908734	181026785	/nfs/dbraw/zinc/02/67/85/181026785.db2.gz	YHSSELMFFNKMFD-XFXZXTDPSA-N	0	0	243.269	2.664	1	30		BFEFRN
N#C[C@@H](Cc1ccc[nH]1)c1ccc([N+](=O)[O-])cc1	ZINC000169329400	181055343	/nfs/dbraw/zinc/05/53/43/181055343.db2.gz	APRWOGYGQLJSCK-LLVKDONJSA-N	0	0	241.250	2.773	1	30		BFEFRN
N#Cc1c(Cl)[nH]c(=S)nc1-c1ccccc1	ZINC000096910378	181073801	/nfs/dbraw/zinc/07/38/01/181073801.db2.gz	YCPRAJZXZIBWFZ-UHFFFAOYSA-N	0	0	247.710	2.957	1	30		BFEFRN
N#Cc1c(=O)nc2c3cccc4cccc(c1-2)c34	ZINC000070622170	181079324	/nfs/dbraw/zinc/07/93/24/181079324.db2.gz	VQYSTSIAUDPRJH-UHFFFAOYSA-N	0	0	230.226	2.600	1	30		BFEFRN
N#Cc1ccc(-c2ccc3ncnc(N)c3c2)cc1	ZINC000148840501	181094967	/nfs/dbraw/zinc/09/49/67/181094967.db2.gz	KTKDOVXJHXOAOF-UHFFFAOYSA-N	0	0	246.273	2.751	1	30		BFEFRN
C#CCOc1cc(OCC=C)nc2ccccc21	ZINC000049068879	166197535	/nfs/dbraw/zinc/19/75/35/166197535.db2.gz	WTAWSXDIMYTITA-UHFFFAOYSA-N	0	0	239.274	2.812	1	30		BFEFRN
C=CCNc1ncnc2c3ccccc3[nH]c21	ZINC000101481833	166408564	/nfs/dbraw/zinc/40/85/64/166408564.db2.gz	ZAUOESZRRGOTDJ-UHFFFAOYSA-N	0	0	224.267	2.661	1	30		BFEFRN
CC1=C(C)C(=O)c2c(cc3ccccn32)C1=O	ZINC000001618304	168080999	/nfs/dbraw/zinc/08/09/99/168080999.db2.gz	SSXDJMSSVBOSAF-UHFFFAOYSA-N	0	0	225.247	2.655	1	30		BFEFRN
CC1=C2CC[C@@]3(C)[C@H](O)CC[C@@H]3[C@@H]2CCC1=O	ZINC000029474591	168091035	/nfs/dbraw/zinc/09/10/35/168091035.db2.gz	DCEFUYKVMXITER-QHSBEEBCSA-N	0	0	234.339	2.853	1	30		BFEFRN
Cc1ccc(C)c2c1C(=O)C=C(C)C2=O	ZINC000028873759	168092560	/nfs/dbraw/zinc/09/25/60/168092560.db2.gz	UYWGWSNISMHZQQ-UHFFFAOYSA-N	0	0	200.237	2.629	1	30		BFEFRN
Cc1cc2c(c3c1C(=O)C(=O)C(C)=C3)[C@@H](C)CO2	ZINC000015153805	168133101	/nfs/dbraw/zinc/13/31/01/168133101.db2.gz	LTOSSAVPMIKCBC-VIFPVBQESA-N	0	0	242.274	2.660	1	30	biogenic,in-vitro	BFEFRN
CC[C@H](C)C(=O)OC[C@H]1CCCC[C@H]1C=O	ZINC000029570140	171256153	/nfs/dbraw/zinc/25/61/53/171256153.db2.gz	FFZLWVPCNBASGT-SDDRHHMPSA-N	0	0	226.316	2.581	1	30		BFEFRN
CN(/C(=N\O)c1ccccc1)c1ccccc1	ZINC000017191072	172292578	/nfs/dbraw/zinc/29/25/78/172292578.db2.gz	XQNPFLAAKWMIDR-PFONDFGASA-N	0	0	226.279	2.959	1	30		BFEFRN
CO[C@H]1C=C(Nc2cccc(Cl)c2)C(=O)C1	ZINC000001615956	174873624	/nfs/dbraw/zinc/87/36/24/174873624.db2.gz	DMLFZPPSYYJZHM-JTQLQIEISA-N	0	0	237.686	2.624	1	30		BFEFRN
COc1ccc(C=CC(=O)C2OC=CC2=O)cc1	ZINC000103194566	175047611	/nfs/dbraw/zinc/04/76/11/175047611.db2.gz	RIDXPRPIPHYUTK-QPJJXVBHSA-N	0	0	244.246	2.890	1	30		BFEFRN
COc1ccc(/C=C/[C@H]2CC(=O)C=CO2)cc1	ZINC000084727189	175048518	/nfs/dbraw/zinc/04/85/18/175048518.db2.gz	XLAVUKOAAZDFGY-GBXSZLQWSA-N	0	0	230.263	2.580	1	30		BFEFRN
COc1ccc(/C=N\c2ccncc2)cc1OC	ZINC000103275598	175049856	/nfs/dbraw/zinc/04/98/56/175049856.db2.gz	UVPYUZVZRJVRPM-YBEGLDIGSA-N	0	0	242.278	2.849	1	30		BFEFRN
COc1ccccc1C1=CC(=O)CC(C)(C)C1=O	ZINC000036388434	175320591	/nfs/dbraw/zinc/32/05/91/175320591.db2.gz	FAOFSUPKKNLHJS-UHFFFAOYSA-N	0	0	244.290	2.647	3	30		BFEFRN
C=C1C(=O)O[C@@H]2/C=C(\C)C[C@H](O)/C=C(\C)CC[C@@H]12	ZINC000101674239	560052445	/nfs/dbraw/zinc/05/24/45/560052445.db2.gz	GDAPCCXIJOBGFV-LZQGXPBISA-N	0	0	248.322	2.522	1	30	biogenic,in-vitro	BFEFRN
C=C1CCC[C@@]2(C)C[C@]3(O)OC(=O)C(C)=C3C[C@@H]12	ZINC000005373280	560201539	/nfs/dbraw/zinc/20/15/39/560201539.db2.gz	FBMORZZOJSDNRQ-CQDKDKBSSA-N	0	0	248.322	2.705	1	30	biogenic,in-vitro	BFEFRN
C=C1CC[C@@H]2[C@@](O)(C1)[C@H](C(C)C)CC[C@]2(C)O	ZINC000006036023	571691223	/nfs/dbraw/zinc/69/12/23/571691223.db2.gz	AHNGXHRYFGQWSL-ZQDZILKHSA-N	0	0	238.371	2.891	1	30	endogenous,in-man	BFEFRN
O=C1C[C@H]2OCCCC2=C1c1cccs1	ZINC000013387720	571700093	/nfs/dbraw/zinc/70/00/93/571700093.db2.gz	FCVWHDAKNZMSON-SNVBAGLBSA-N	0	0	220.293	2.654	1	30	endogenous,in-man	BFEFRN
C=C(CO)[C@@]1(O)CC[C@@]2(C)CCCC(=C)[C@@H]2C1	ZINC000015206523	571735218	/nfs/dbraw/zinc/73/52/18/571735218.db2.gz	SDWGOFYIBUYAQT-RRFJBIMHSA-N	0	0	236.355	2.813	1	30	endogenous,in-man	BFEFRN
C=C(C)[C@H]1CC[C@]2(C1)C(CO)=CC(=O)C[C@@H]2C	ZINC000062611952	571771608	/nfs/dbraw/zinc/77/16/08/571771608.db2.gz	JPVDGXUSNAEUIC-SLEUVZQESA-N	0	0	234.339	2.877	1	30	endogenous,in-man	BFEFRN
C=C(CO)[C@]1(O)CC[C@@]2(C)CCCC(=C)[C@H]2C1	ZINC000085756932	571788079	/nfs/dbraw/zinc/78/80/79/571788079.db2.gz	SDWGOFYIBUYAQT-KFWWJZLASA-N	0	0	236.355	2.813	1	30	endogenous,in-man	BFEFRN
C=C(CO)[C@]1(O)CC[C@]2(C)CCCC(=C)[C@H]2C1	ZINC000085756930	571788086	/nfs/dbraw/zinc/78/80/86/571788086.db2.gz	SDWGOFYIBUYAQT-ILXRZTDVSA-N	0	0	236.355	2.813	1	30	endogenous,in-man	BFEFRN
CC(=O)C1=C[C@]2(C)[C@@H](C1)CCC(=O)[C@@H]2C	ZINC000100772080	571814804	/nfs/dbraw/zinc/81/48/04/571814804.db2.gz	JJZRURWGJILXRH-KDDOJWQBSA-N	0	0	206.285	2.527	1	30	endogenous,in-man	BFEFRN
C=C(C)[C@H]1CC(=O)[C@H]2C[C@H](O)C[C@@H](C)[C@]2(C)C1	ZINC000100778628	571828489	/nfs/dbraw/zinc/82/84/89/571828489.db2.gz	MZPGODIAQREELD-OKWIKPQFSA-N	0	0	236.355	2.955	1	30	endogenous,in-man	BFEFRN
C=C(C)[C@H]1CC(=O)[C@H]2C[C@@H](O)C[C@H](C)[C@]2(C)C1	ZINC000100778635	571828491	/nfs/dbraw/zinc/82/84/91/571828491.db2.gz	MZPGODIAQREELD-BAYHKCFCSA-N	0	0	236.355	2.955	1	30	endogenous,in-man	BFEFRN
C=C(C)[C@H]1CC(=O)[C@H]2C[C@@H](O)C[C@@H](C)[C@]2(C)C1	ZINC000100778633	571828500	/nfs/dbraw/zinc/82/85/00/571828500.db2.gz	MZPGODIAQREELD-KDBYPZKRSA-N	0	0	236.355	2.955	1	30	endogenous,in-man	BFEFRN
C=C1[C@@H]2CC[C@H](C(C)=O)[C@H]2[C@H](C(C)C)C[C@@H]1O	ZINC000100783338	571839469	/nfs/dbraw/zinc/83/94/69/571839469.db2.gz	JNIVOKDEGVTPPC-AICCOOGYSA-N	0	0	236.355	2.811	1	30	endogenous,in-man	BFEFRN
Cc1ccc2c(c1)C(=O)C(C(C)C)=C[C@]2(C)O	ZINC000006071307	178943682	/nfs/dbraw/zinc/94/36/82/178943682.db2.gz	CNZCFICJJNMIPR-HNNXBMFYSA-N	0	0	230.307	2.981	1	30		BFEFRN
COC1C(=O)Oc2ccc(C=CC(C)=O)cc21	ZINC000033832896	290771668	/nfs/dbraw/zinc/77/16/68/290771668.db2.gz	NGLQPPQDBIMYKL-ONEGZZNKSA-N	0	0	232.235	2.749	1	30	biogenic,in-vitro	BFEFRN
CS(=O)(=O)CCCCCCCCCC#N	ZINC000014593413	290772290	/nfs/dbraw/zinc/77/22/90/290772290.db2.gz	OKNKACRVIGPQAW-UHFFFAOYSA-N	0	0	231.361	2.675	1	30	biogenic,in-vitro	BFEFRN
CC/C=C/C=C/[C@]1(C)OC(C[C@H](C)O)=CC1=O	ZINC000014721804	187391695	/nfs/dbraw/zinc/39/16/95/187391695.db2.gz	UPZFQAPMUIHLPL-JVADZJFHSA-N	0	0	236.311	2.522	1	30		BFEFRN
C=CCn1ncc2c1ncnc2SCC1CC1	ZINC000028894838	188059400	/nfs/dbraw/zinc/05/94/00/188059400.db2.gz	GCYGPRCDGPUAKY-UHFFFAOYSA-N	0	0	246.339	2.514	1	30		BFEFRN
C=C1C/C=C\C(C)(C)C[C@@H](O)/C(C)=C/C[C@@H]1O	ZINC000169291800	188078854	/nfs/dbraw/zinc/07/88/54/188078854.db2.gz	QETDLTFNRYOLAT-VNZMUUNPSA-N	0	0	236.355	2.977	1	30		BFEFRN
CC(C)(C)C(=O)/C=C1\C(=O)Nc2ccccc21	ZINC000013526135	188105616	/nfs/dbraw/zinc/10/56/16/188105616.db2.gz	VGCBQOHGDJSUKU-NTMALXAHSA-N	0	0	229.279	2.637	1	30		BFEFRN
C=C(C)CCOc1ccc(C(C)=O)c(O)c1	ZINC000072107276	188220791	/nfs/dbraw/zinc/22/07/91/188220791.db2.gz	ZNDRTUVSOVWOAW-UHFFFAOYSA-N	0	0	220.268	2.940	1	30		BFEFRN
C=C(C)[C@H](O)/C=C/c1ccc(OC)cc1	ZINC000007992457	188224959	/nfs/dbraw/zinc/22/49/59/188224959.db2.gz	OJNLKIJZNKOQNU-YSKGHYERSA-N	0	0	204.269	2.645	1	30		BFEFRN
C=CC[C@H](Nc1ccc(OC)cc1)C(=O)OCC	ZINC000008689912	188225321	/nfs/dbraw/zinc/22/53/21/188225321.db2.gz	FGBOFQZPEGMEQD-ZDUSSCGKSA-N	0	0	249.310	2.615	1	30		BFEFRN
CC(=O)C1=CC=CC1=NNc1ccccc1	ZINC000017258302	188460551	/nfs/dbraw/zinc/46/05/51/188460551.db2.gz	KDBBHGQEKHITEO-FYWRMAATSA-N	0	0	212.252	2.540	1	30		BFEFRN
N#CCc1cccc(C#Cc2csc(F)n2)c1	ZINC000066098048	181048969	/nfs/dbraw/zinc/04/89/69/181048969.db2.gz	SPURXWRBPVNQJO-UHFFFAOYSA-N	0	0	242.278	2.748	1	30		BFEFRN
N#Cc1c(Cl)[nH]c(=S)nc1-c1ccco1	ZINC000096910380	181073794	/nfs/dbraw/zinc/07/37/94/181073794.db2.gz	VLNNXJIXRUNAER-UHFFFAOYSA-N	0	0	237.671	2.550	1	30		BFEFRN
O=C(/C=C/c1ccccc1O)c1ccc(O)cc1	ZINC000005716859	387515124	/nfs/dbraw/zinc/51/51/24/387515124.db2.gz	PYXFBLHBGUOXFY-JXMROGBWSA-N	0	0	240.258	2.994	1	30		BFEFRN
C#CCCOc1oc(=O)c2ccccc2c1Cl	ZINC000084711033	166150108	/nfs/dbraw/zinc/15/01/08/166150108.db2.gz	MMLQOEYTITYQOY-UHFFFAOYSA-N	0	0	248.665	2.849	1	30		BFEFRN
C#C[C@@H]1CC[C@@]2(C)C=CC(=O)C(=C)[C@@H]2C1	ZINC000036448596	166213477	/nfs/dbraw/zinc/21/34/77/166213477.db2.gz	IGGHNQBLFKBHMD-DYEKYZERSA-N	0	0	200.281	2.737	1	30		BFEFRN
C#Cc1ccc(-n2nncc2CCCC)cc1	ZINC000028825636	166220201	/nfs/dbraw/zinc/22/02/01/166220201.db2.gz	WYIVVYNLIRBIMG-UHFFFAOYSA-N	0	0	225.295	2.591	1	30		BFEFRN
CC1(C)CC2=C(O1)[C@@]1(CO1)c1ccccc1C2=O	ZINC000040848105	167888915	/nfs/dbraw/zinc/88/89/15/167888915.db2.gz	OJRFSQGFMITKIW-OAHLLOKOSA-N	0	0	242.274	2.561	1	30		BFEFRN
CC1=C2C[C@H]3[C@@H](C[C@@]2(C)CCC1=O)OC(=O)[C@H]3C	ZINC000034175683	168091492	/nfs/dbraw/zinc/09/14/92/168091492.db2.gz	RFNUCJPJRGWVFX-IKECWLCDSA-N	0	0	248.322	2.644	1	30		BFEFRN
CC1=CCCC[C@H]1[C@H]1O[C@H](C)C=CC1=O	ZINC000027324141	168094410	/nfs/dbraw/zinc/09/44/10/168094410.db2.gz	STOZPHLAYABICO-NQBHXWOUSA-N	0	0	206.285	2.645	1	30		BFEFRN
CC1=C[C@@H]2[C@@H](CC1=O)[C@](C)(O)CC[C@H]2C(C)C	ZINC000013381594	168131897	/nfs/dbraw/zinc/13/18/97/168131897.db2.gz	XZKNRQNOZWYUMT-RMRHIDDWSA-N	0	0	236.355	2.955	1	30		BFEFRN
CC[C@@H](CC[C@@H]1CO1)c1cc(O)ccc1O	ZINC000095579477	170820766	/nfs/dbraw/zinc/82/07/66/170820766.db2.gz	HUHPNANFXCZDTD-GXSJLCMTSA-N	0	0	222.284	2.770	1	30		BFEFRN
CN(/N=C\c1ccc([N+](=O)[O-])o1)c1ccccc1	ZINC000015919472	172291848	/nfs/dbraw/zinc/29/18/48/172291848.db2.gz	FBNFLHMGTZRYOE-LCYFTJDESA-N	0	0	245.238	2.658	1	30		BFEFRN
CO/N=C(/Cc1ccccc1)c1cccnc1	ZINC000072937877	173491665	/nfs/dbraw/zinc/49/16/65/173491665.db2.gz	FPSOYYSGRVQYES-PEZBUJJGSA-N	0	0	226.279	2.675	1	30		BFEFRN
COc1ccccc1/N=C1/SCCCN1C	ZINC000013118907	175315585	/nfs/dbraw/zinc/31/55/85/175315585.db2.gz	FWVWWBGIUDCCIO-OUKQBFOZSA-N	0	0	236.340	2.751	1	30		BFEFRN
C[C@@H]1CC[C@@H](C(C)(C)O)C[C@]2(C)C1=C[C@H]1O[C@H]12	ZINC000028974871	176196639	/nfs/dbraw/zinc/19/66/39/176196639.db2.gz	ZQLNOTQNTMDOGU-ZUJPDMLGSA-N	0	0	236.355	2.907	1	30		BFEFRN
Cc1ccc2c3c1C(=O)C(=O)C(C)=C3OC=C2C	ZINC000001704127	518190071	/nfs/dbraw/zinc/19/00/71/518190071.db2.gz	WSRLWSPFIOAYST-UHFFFAOYSA-N	0	0	240.258	2.882	1	30	biogenic,in-vitro	BFEFRN
C=C(C)[C@@H]1Oc2cc(O)c(C(C)=O)cc2[C@H]1OC	ZINC000013305463	560213946	/nfs/dbraw/zinc/21/39/46/560213946.db2.gz	PHYSEYYYFQMJGP-UONOGXRCSA-N	0	0	248.278	2.619	1	30	biogenic,in-vitro	BFEFRN
C=C(C)[C@@H](/C=C/C1=C(C)COC1=O)CCC(C)=O	ZINC000070454910	560047923	/nfs/dbraw/zinc/04/79/23/560047923.db2.gz	PIPVGWJYWLNXKC-SBDDDAINSA-N	0	0	248.322	2.977	1	30	biogenic,in-vitro	BFEFRN
C=C1CC[C@H](O)[C@@]2(C)CC[C@H](C(C)C)[C@@H](O)[C@H]12	ZINC000095911419	560058152	/nfs/dbraw/zinc/05/81/52/560058152.db2.gz	WKKJGHCXVKEJNU-GZBLMMOJSA-N	0	0	238.371	2.747	1	30	biogenic,in-vitro	BFEFRN
CC1=C2CC[C@@H](C)[C@H]2[C@H]2[C@@H](CC1=O)[C@@]2(C)CO	ZINC000034457787	560087414	/nfs/dbraw/zinc/08/74/14/560087414.db2.gz	FFODVFHYFVHCLI-ZENKMJSXSA-N	0	0	234.339	2.566	1	30	biogenic,in-vitro	BFEFRN
CC1=CC(=O)CC(C)(C)/C1=C\C[C@H](C)O	ZINC000033838363	560088012	/nfs/dbraw/zinc/08/80/12/560088012.db2.gz	JHWWVZZGBLPJPW-OGGBREFQSA-N	0	0	208.301	2.629	1	30	biogenic,in-vitro	BFEFRN
C=C(C)[C@@H]1Cc2cc(C(C)=O)ccc2O1	ZINC000005369757	560110264	/nfs/dbraw/zinc/11/02/64/560110264.db2.gz	UVYUUQGGBNKRFU-ZDUSSCGKSA-N	0	0	202.253	2.769	1	30	biogenic	BFEFRN
CC(=O)C1=C[C@@]2(C)[C@@H](C)CCC[C@H]2CC1=O	ZINC000014493267	571710518	/nfs/dbraw/zinc/71/05/18/571710518.db2.gz	XNORMQKITMTNGH-CHIMOYNISA-N	0	0	220.312	2.917	1	30	endogenous,in-man	BFEFRN
CC(=O)C1=C[C@]2(C)[C@H](CCC[C@@H]2C)CC1=O	ZINC000014493261	571710621	/nfs/dbraw/zinc/71/06/21/571710621.db2.gz	XNORMQKITMTNGH-PXWWUCIGSA-N	0	0	220.312	2.917	1	30	endogenous,in-man	BFEFRN
CCCCCCOC(=O)C[C@@H](C)S	ZINC000034049919	571749521	/nfs/dbraw/zinc/74/95/21/571749521.db2.gz	HDYQKQAKXIPCAP-SECBINFHSA-N	0	0	204.335	2.818	1	30	endogenous,in-man	BFEFRN
CC(=O)C1=C[C@]2(C)[C@H](C1)CCC(=O)[C@@H]2C	ZINC000100772083	571814818	/nfs/dbraw/zinc/81/48/18/571814818.db2.gz	JJZRURWGJILXRH-QWRKXWFKSA-N	0	0	206.285	2.527	1	30	endogenous,in-man	BFEFRN
C=C(C)[C@H]1CC[C@]2(C1)[C@H](C=O)C[C@@H](O)C[C@@H]2C	ZINC000100778309	571827250	/nfs/dbraw/zinc/82/72/50/571827250.db2.gz	CEVNHRPKRNTGKO-YYFQZIEXSA-N	0	0	236.355	2.955	1	30	endogenous,in-man	BFEFRN
CC(C)=CC(=O)C[C@@]1(C)[C@@H]2C[C@H]1C[C@H](O)[C@@H]2C	ZINC000100780413	571833348	/nfs/dbraw/zinc/83/33/48/571833348.db2.gz	TZZOUTYFTVJIFX-QFCKPIOYSA-N	0	0	236.355	2.955	1	30	endogenous,in-man	BFEFRN
CS/C=C\C#C/C=C1\C=C[C@]2(CCCO2)O1	ZINC000014593666	574413567	/nfs/dbraw/zinc/41/35/67/574413567.db2.gz	SOSDBVUESBQTDG-FWWAXZRXSA-N	0	0	234.320	2.844	1	30	endogenous,in-man	BFEFRN
C=C(C)[C@@H]1CC[C@](C)(O)[C@@H]2CC[C@@](C)(O)[C@@H]2C1	ZINC000015265115	574413914	/nfs/dbraw/zinc/41/39/14/574413914.db2.gz	RQHOQQOEZPFYTD-ARILJUKYSA-N	0	0	238.371	2.891	1	30	endogenous,in-man	BFEFRN
C=C(C)[C@@H]1CC(=O)[C@@H]2C[C@H](O)C[C@@H](C)[C@@]2(C)C1	ZINC000085848467	574416811	/nfs/dbraw/zinc/41/68/11/574416811.db2.gz	MZPGODIAQREELD-XLFUENPSSA-N	0	0	236.355	2.955	1	30	endogenous,in-man	BFEFRN
C=C1CC[C@@H]([C@@H](C)CO)[C@@H]2C[C@H](C)C(=O)C[C@@H]12	ZINC000034433150	290767873	/nfs/dbraw/zinc/76/78/73/290767873.db2.gz	DITQGYNPDBFKPS-PEDHHIEDSA-N	0	0	236.355	2.812	1	30	biogenic,in-vitro	BFEFRN
C=C1[C@@H]2CC[C@H](C(C)=O)[C@H]2[C@@H](C(C)C)C[C@H]1O	ZINC000100783335	571839438	/nfs/dbraw/zinc/83/94/38/571839438.db2.gz	JNIVOKDEGVTPPC-JARUQAPTSA-N	0	0	236.355	2.811	1	30	endogenous,in-man	BFEFRN
Cc1cn2cccc2c(C#Cc2cccc(O)c2)n1	ZINC000029125768	179567104	/nfs/dbraw/zinc/56/71/04/179567104.db2.gz	WVKANQOVUXTWGO-UHFFFAOYSA-N	0	0	248.285	2.748	1	30		BFEFRN
C=C1CC[C@@]2(C(C)C)O[C@H]2[C@H]2[C@@H]1CC[C@]2(C)O	ZINC000026832516	188059372	/nfs/dbraw/zinc/05/93/72/188059372.db2.gz	DHOMMAYDBREASS-MRLBHPIUSA-N	0	0	236.355	2.907	1	30		BFEFRN
C=C1CC[C@H](O)[C@@]2(C)CC[C@H](C(=O)C(C)C)[C@@H]12	ZINC000032296497	188081583	/nfs/dbraw/zinc/08/15/83/188081583.db2.gz	OQRJYRPZPATIRR-RMRHIDDWSA-N	0	0	236.355	2.955	1	30		BFEFRN
CNC(=S)[C@@]1(c2ccncc2)CCCS1	ZINC000026729987	188110313	/nfs/dbraw/zinc/11/03/13/188110313.db2.gz	ZNOMKSQQKDDAPY-NSHDSACASA-N	0	0	238.381	2.762	1	30		BFEFRN
C=C1C(=O)ON(C)[C@H]1c1cccc2ccccc21	ZINC000040556570	188117944	/nfs/dbraw/zinc/11/79/44/188117944.db2.gz	QWWFKOXPGUEVKE-CQSZACIVSA-N	0	0	239.274	2.841	1	30		BFEFRN
N#Cc1cccc(-n2ccc(-c3cccnc3)n2)c1	ZINC000103224469	188150253	/nfs/dbraw/zinc/15/02/53/188150253.db2.gz	FWIRAYALBWXCDD-UHFFFAOYSA-N	0	0	246.273	2.806	1	30		BFEFRN
Cc1coc2c1C[C@H]1O[C@]1(C)CC[C@H]1O[C@]1(C)C2	ZINC000005663088	188157630	/nfs/dbraw/zinc/15/76/30/188157630.db2.gz	FNQFNSGVMLMZNV-KBUPBQIOSA-N	0	0	248.322	2.782	1	30	in-man	BFEFRN
C=C1CC[C@@]2(O)[C@H](C)CC[C@@H](C(C)C)[C@@H]2[C@@H]1O	ZINC000040872437	188215475	/nfs/dbraw/zinc/21/54/75/188215475.db2.gz	DQLZODFYAUOOHY-XLWJZTARSA-N	0	0	238.371	2.747	1	30		BFEFRN
C=C1[C@@H](C)C[C@H]2C[C@]1(C)CCC1=CC(=O)O[C@@]12O	ZINC000040979914	188215896	/nfs/dbraw/zinc/21/58/96/188215896.db2.gz	SGZIOSXTKWBXTJ-HLHNXRDNSA-N	0	0	248.322	2.561	1	30		BFEFRN
C=C(CCCCC)[C@@H]1CC=C(C)[C@@H](O)[C@@H]1O	ZINC000095586170	188223547	/nfs/dbraw/zinc/22/35/47/188223547.db2.gz	AXJPQODPACCMFO-BFHYXJOUSA-N	0	0	224.344	2.811	1	30		BFEFRN
C=C(C)[C@H]1Cc2c(ccc3ccc(=O)oc23)O1	ZINC000013360051	188225535	/nfs/dbraw/zinc/22/55/35/188225535.db2.gz	WLRXMMDATRQQNQ-GFCCVEGCSA-N	0	0	228.247	2.673	1	30	biogenic,in-vitro	BFEFRN
C=C1C(=O)O[C@@H]2/C=C(/C)CC/C=C(/C)C[C@@H](O)[C@@H]12	ZINC000033953356	188416463	/nfs/dbraw/zinc/41/64/63/188416463.db2.gz	PDEJECFRCJOMEN-KOKKXWLYSA-N	0	0	248.322	2.522	1	30		BFEFRN
N#C[C@@H](N=O)c1nc2ccccc2s1	ZINC000045235901	181056556	/nfs/dbraw/zinc/05/65/56/181056556.db2.gz	RJGUIRNSOFOCNA-SSDOTTSWSA-N	0	0	203.226	2.627	1	30		BFEFRN
C#Cc1ccc2c(c1)COc1c3ccccc3nn1-2	ZINC000012726969	188585595	/nfs/dbraw/zinc/58/55/95/188585595.db2.gz	UNBMUTBTGXBINN-UHFFFAOYSA-N	0	0	246.269	2.899	3	30		BFEFRN
N#Cc1ccc2cccc3c2c1C(=O)C=C3	ZINC000049807569	181133183	/nfs/dbraw/zinc/13/31/83/181133183.db2.gz	FIXOLFJVCQWTRN-UHFFFAOYSA-N	0	0	205.216	2.921	1	30		BFEFRN
N#Cc1ccc2[nH]c(N=Cc3ccco3)nc2c1	ZINC000071294671	181133264	/nfs/dbraw/zinc/13/32/64/181133264.db2.gz	JROCKKHJDZLDHZ-OVCLIPMQSA-N	0	0	236.234	2.778	1	30		BFEFRN
O/N=C(\NC1CCCCC1)c1ccc(F)cc1	ZINC000072181074	181823861	/nfs/dbraw/zinc/82/38/61/181823861.db2.gz	NWODLOQNMNLXHG-UHFFFAOYSA-N	0	0	236.290	2.884	1	30		BFEFRN
O=[N+]([O-])c1cc(F)cc(C#Cc2ccccn2)c1	ZINC000071281260	182923544	/nfs/dbraw/zinc/92/35/44/182923544.db2.gz	GUEBWFJZKAZCQM-UHFFFAOYSA-N	0	0	242.209	2.529	1	30		BFEFRN
O[C@@H]1CCCc2nc(C#Cc3ccccc3)ccc21	ZINC000028967981	183198479	/nfs/dbraw/zinc/19/84/79/183198479.db2.gz	VUDNTKZUIAXLLZ-QGZVFWFLSA-N	0	0	249.313	2.851	1	30	in-vivo	BFEFRN
c1cc2c3c(cccc3c1)/C(=N/OC[C@@H]1CO1)C2	ZINC000008576423	183375018	/nfs/dbraw/zinc/37/50/18/183375018.db2.gz	APUGRUXGWQEPQQ-ZLUHGAPXSA-N	0	0	239.274	2.515	1	30		BFEFRN
CC(C)(C)CC#C[C@@H]1C[C@@H]1c1c[nH]cn1	ZINC000029400731	166545789	/nfs/dbraw/zinc/54/57/89/166545789.db2.gz	XBRILQZFKNUQAJ-MNOVXSKESA-N	0	0	202.301	2.953	1	30		BFEFRN
CC/C=C\C[C@H]1C(=O)C=C[C@H]1CC(=O)OCC	ZINC000084670366	167861217	/nfs/dbraw/zinc/86/12/17/167861217.db2.gz	WLFXPBFZFCOQOH-ABZJQCSKSA-N	0	0	236.311	2.667	1	30		BFEFRN
Cc1ccc2c3c1C(=O)C(=O)C(C)=C3OC[C@@H]2C	ZINC000006071465	168091621	/nfs/dbraw/zinc/09/16/21/168091621.db2.gz	SYWTYRLIJCHSLJ-QMMMGPOBSA-N	0	0	242.274	2.625	1	30		BFEFRN
CC1=CCCC[C@H]1[C@H]1O[C@@H](C)C=CC1=O	ZINC000027324135	168094055	/nfs/dbraw/zinc/09/40/55/168094055.db2.gz	STOZPHLAYABICO-DMDPSCGWSA-N	0	0	206.285	2.645	1	30		BFEFRN
COc1ccc(-c2[nH]nc(SC)c2C#N)cc1	ZINC000000095657	175028989	/nfs/dbraw/zinc/02/89/89/175028989.db2.gz	NNGOZRFRERVJSV-UHFFFAOYSA-N	0	0	245.307	2.679	1	30		BFEFRN
COc1ccc(C=CC(O)=CC(C)=O)cc1OC	ZINC000101045213	175047110	/nfs/dbraw/zinc/04/71/10/175047110.db2.gz	MGZOSXSTGQXJPL-HOGPSILUSA-N	0	0	248.278	2.748	1	30		BFEFRN
COc1cccc(OCC#Cc2ccccn2)c1	ZINC000034456176	175282200	/nfs/dbraw/zinc/28/22/00/175282200.db2.gz	NUGIZDIFZXSZAH-UHFFFAOYSA-N	0	0	239.274	2.521	1	30	in-vivo	BFEFRN
C[C@]12CC[C@H](O)C[C@]1(/C=N/O)CC=C1CC[C@@H]12	ZINC000027559592	177484026	/nfs/dbraw/zinc/48/40/26/177484026.db2.gz	SQBCEZDQJYLDOQ-IWYSVFIFSA-N	0	0	235.327	2.724	1	30		BFEFRN
CC1=C2[C@H](O)C[C@@H](C)[C@H]2[C@H]2[C@@H](CC1=O)C2(C)C	ZINC000038998241	560081851	/nfs/dbraw/zinc/08/18/51/560081851.db2.gz	NBURJTWYUXMZMQ-KVFFALJZSA-N	0	0	234.339	2.565	1	30	biogenic,in-vitro	BFEFRN
C=C1CC[C@@H](O)[C@]2(C)CC[C@@H](C(C)C)[C@H](O)[C@H]12	ZINC000038918830	560081973	/nfs/dbraw/zinc/08/19/73/560081973.db2.gz	WKKJGHCXVKEJNU-AICCOOGYSA-N	0	0	238.371	2.747	1	30	biogenic,in-vitro	BFEFRN
C=C1CC[C@@H](O)[C@]2(C)CC[C@](O)(C(C)C)C[C@@H]12	ZINC000034519719	560087195	/nfs/dbraw/zinc/08/71/95/560087195.db2.gz	SWIPEIJPNVNEPT-GBJTYRQASA-N	0	0	238.371	2.891	1	30	biogenic,in-vitro	BFEFRN
C=C1CC[C@@H](C(C)(C)O)[C@@H]2C[C@H](C)C(=O)C[C@@H]12	ZINC000034506866	560087254	/nfs/dbraw/zinc/08/72/54/560087254.db2.gz	IEVRRNVEPZMZKC-WUHRBBMRSA-N	0	0	236.355	2.955	1	30	biogenic,in-vitro	BFEFRN
C=C1CC[C@H]2[C@](O)(C1)C(C(C)C)=CC[C@]2(C)O	ZINC000033830040	560088981	/nfs/dbraw/zinc/08/89/81/560088981.db2.gz	USTNWHUHFGWSGY-ILXRZTDVSA-N	0	0	236.355	2.811	1	30	biogenic,in-vitro	BFEFRN
C=C(C)[C@@H]1COc2cc3oc(=O)ccc3cc2O1	ZINC000003197470	560188708	/nfs/dbraw/zinc/18/87/08/560188708.db2.gz	DUECABXXAMFFBH-ZDUSSCGKSA-N	0	0	244.246	2.509	3	30	in-vitro	BFEFRN
C=C(C)[C@@H]1C[C@@H](O)C2=CC(=O)C[C@@H](C)[C@]2(C)C1	ZINC000014450473	560221618	/nfs/dbraw/zinc/22/16/18/560221618.db2.gz	AHROGQKIGMNGTG-FKGLVLAHSA-N	0	0	234.339	2.875	1	30	biogenic,in-vitro	BFEFRN
C=C(C)[C@H]1Cc2cc(C(C)=O)c(OC)cc2O1	ZINC000014511030	560222100	/nfs/dbraw/zinc/22/21/00/560222100.db2.gz	IYMJMWNDRCWQPW-GFCCVEGCSA-N	0	0	232.279	2.777	1	30	biogenic,in-vitro	BFEFRN
C=C1CC[C@H]2[C@H](CC2(C)C)C(=O)CC[C@@H]1O	ZINC000013298504	571695979	/nfs/dbraw/zinc/69/59/79/571695979.db2.gz	BSFUDCIRZBAPDS-SRVKXCTJSA-N	0	0	222.328	2.709	1	30	endogenous,in-man	BFEFRN
C=C1Cc2occ(C)c2C(=O)[C@@]2(O)[C@H](C)CC[C@@H]12	ZINC000014887512	571726837	/nfs/dbraw/zinc/72/68/37/571726837.db2.gz	CKDRPCYJCDMPFO-JRPNMDOOSA-N	0	0	246.306	2.660	1	30	endogenous,in-man	BFEFRN
O=C1C[C@@H]2OCCCC2=C1c1cccs1	ZINC000013387721	571700235	/nfs/dbraw/zinc/70/02/35/571700235.db2.gz	FCVWHDAKNZMSON-JTQLQIEISA-N	0	0	220.293	2.654	1	30	endogenous,in-man	BFEFRN
CC(=O)C1=C[C@]2(C)[C@H](C1)CCC(=O)[C@H]2C	ZINC000100772082	571814823	/nfs/dbraw/zinc/81/48/23/571814823.db2.gz	JJZRURWGJILXRH-WLTAIBSBSA-N	0	0	206.285	2.527	1	30	endogenous,in-man	BFEFRN
C=C(C)[C@H]1CC[C@@]2(C1)[C@H](C)C[C@H](O)C[C@H]2C=O	ZINC000100778307	571827239	/nfs/dbraw/zinc/82/72/39/571827239.db2.gz	CEVNHRPKRNTGKO-CAEXGNQWSA-N	0	0	236.355	2.955	1	30	endogenous,in-man	BFEFRN
C=C1C(=O)O[C@H]2C[C@@]3(C)O[C@@H]3CC/C(C)=C\C[C@H]12	ZINC000015160613	574413843	/nfs/dbraw/zinc/41/38/43/574413843.db2.gz	ACDBVOJKXAGTJM-CKFJYUSTSA-N	0	0	248.322	2.762	1	30	endogenous,in-man	BFEFRN
C=C(C)[C@@H]1CC[C@@](C)(O)[C@@H]2CC[C@@](C)(O)[C@@H]2C1	ZINC000015265111	574413900	/nfs/dbraw/zinc/41/39/00/574413900.db2.gz	RQHOQQOEZPFYTD-KJWHEZOQSA-N	0	0	238.371	2.891	1	30	endogenous,in-man	BFEFRN
CCc1ncnc(C#Cc2ccccc2)c1F	ZINC000585144884	343880088	/nfs/dbraw/zinc/88/00/88/343880088.db2.gz	LSXOLCHNCKNMCE-UHFFFAOYSA-N	0	0	226.254	2.578	2	30		BFEFRN
C=C(CO)C(=O)[C@H]1CCC2=CCC[C@H](C)[C@]21C	ZINC000038417946	290767354	/nfs/dbraw/zinc/76/73/54/290767354.db2.gz	NEUJHRQRRDXWQD-NJZAAPMLSA-N	0	0	234.339	2.877	1	30	biogenic,in-vitro	BFEFRN
Cc1ccc2nc(NCCS)sc2c1	ZINC000045253348	178978957	/nfs/dbraw/zinc/97/89/57/178978957.db2.gz	CPVCBMSYQSSMOY-UHFFFAOYSA-N	0	0	224.354	2.946	1	30		BFEFRN
C=C[C@@]1(C)CC2=C(C[C@H]1C(=C)C)[C@@H](O)C=C[C@H]2O	ZINC000029041920	187372398	/nfs/dbraw/zinc/37/23/98/187372398.db2.gz	SQXTYAWGCAPKAP-JONQDZQNSA-N	0	0	246.350	2.753	1	30		BFEFRN
C[C@@]12C[C@@H]1CC(C)(C)C[C@@H]1C2=CC(=O)[C@@]1(C)O	ZINC000014442561	187392059	/nfs/dbraw/zinc/39/20/59/187392059.db2.gz	RQZGCZIEUZCSMD-PVRXDPTQSA-N	0	0	234.339	2.709	1	30		BFEFRN
C=C1CC[C@@H](O)[C@]2(C)CC[C@@H](C(C)C)[C@@H](O)[C@@H]12	ZINC000045496091	187395290	/nfs/dbraw/zinc/39/52/90/187395290.db2.gz	WKKJGHCXVKEJNU-JARUQAPTSA-N	0	0	238.371	2.747	1	30		BFEFRN
Cc1nc2c(C#Cc3ccccc3)nccn2c1C	ZINC000029413924	180062408	/nfs/dbraw/zinc/06/24/08/180062408.db2.gz	NCRDBVJDTLCJSJ-UHFFFAOYSA-N	0	0	247.301	2.746	1	30		BFEFRN
C=CCn1ccc(=O)c2ccc(Cl)cc21	ZINC000103266878	187536886	/nfs/dbraw/zinc/53/68/86/187536886.db2.gz	VLLRPEYRMIVDJM-UHFFFAOYSA-N	0	0	219.671	2.841	1	30		BFEFRN
C=C(C)[C@H](O)/C=C/c1cccc(OC)c1	ZINC000007992236	187538063	/nfs/dbraw/zinc/53/80/63/187538063.db2.gz	VYZGTIRXPSFICE-SBDDDAINSA-N	0	0	204.269	2.645	1	30		BFEFRN
C=C(C)[C@H]1C[C@@]2(C)C(=CC1=O)CC[C@@H](O)[C@@H]2C	ZINC000006066834	187741299	/nfs/dbraw/zinc/74/12/99/187741299.db2.gz	AJFPOVBARCSOLH-XTWPYSKKSA-N	0	0	234.339	2.875	1	30		BFEFRN
CC1=CCCC[C@H]1[C@H]1C=CC(=O)[C@@H](C)O1	ZINC000006030468	188103223	/nfs/dbraw/zinc/10/32/23/188103223.db2.gz	JJHADUXKXOHJIL-NQBHXWOUSA-N	0	0	206.285	2.645	1	30		BFEFRN
Cc1coc2c1C[C@H]1O[C@]1(C)CC[C@H]1O[C@@]1(C)C2	ZINC000014773411	188105882	/nfs/dbraw/zinc/10/58/82/188105882.db2.gz	FNQFNSGVMLMZNV-TUVASFSCSA-N	0	0	248.322	2.782	1	30		BFEFRN
CC1=CCCC[C@@H]1[C@@H]1O[C@@H](C)C=CC1=O	ZINC000169318195	188161634	/nfs/dbraw/zinc/16/16/34/188161634.db2.gz	STOZPHLAYABICO-GVXVVHGQSA-N	0	0	206.285	2.645	1	30		BFEFRN
C=C1CC[C@H](O)[C@]2(C)CC[C@H](C(C)C)[C@H](O)[C@@H]12	ZINC000040980706	188215916	/nfs/dbraw/zinc/21/59/16/188215916.db2.gz	WKKJGHCXVKEJNU-SEBNEYGDSA-N	0	0	238.371	2.747	1	30	biogenic,in-vitro	BFEFRN
C=CCN1c2ccccc2C(N=O)C1=O	ZINC000095545613	188223641	/nfs/dbraw/zinc/22/36/41/188223641.db2.gz	VFVLXGVCELJEMA-UHFFFAOYSA-N	0	0	202.213	2.931	1	30		BFEFRN
C#CCSc1nncn1-c1ccc(Cl)cc1	ZINC000103282475	188225178	/nfs/dbraw/zinc/22/51/78/188225178.db2.gz	MGKCIGGZFVOLTB-UHFFFAOYSA-N	0	0	249.726	2.646	1	30		BFEFRN
C=C1C(=O)O[C@H]2/C=C(/C)[C@@H](O)CC/C(C)=C\C[C@H]12	ZINC000013585327	188225181	/nfs/dbraw/zinc/22/51/81/188225181.db2.gz	SXBRYRJLFAIQNM-SCJYFTOSSA-N	0	0	248.322	2.522	1	30		BFEFRN
Fc1cnc(C#Cc2ccc3ccccc3n2)nc1	ZINC000095590511	181016690	/nfs/dbraw/zinc/01/66/90/181016690.db2.gz	AKTFBAHRZJFGBC-UHFFFAOYSA-N	0	0	249.248	2.564	1	30		BFEFRN
N#C[C@H]1CCC(c2ccc3c(c2)CCC3)=NO1	ZINC000040901066	181067258	/nfs/dbraw/zinc/06/72/58/181067258.db2.gz	ORAGRYDIQROYBE-CYBMUJFWSA-N	0	0	226.279	2.582	1	30		BFEFRN
O=C(Cc1ccc(Oc2ccccc2)cc1)NO	ZINC000072136443	182038694	/nfs/dbraw/zinc/03/86/94/182038694.db2.gz	BYHBQIBKPZHNKO-UHFFFAOYSA-N	0	0	243.262	2.527	1	30		BFEFRN
OCCC#Cc1ccccc1C#Cc1ccccc1	ZINC000028648730	183041992	/nfs/dbraw/zinc/04/19/92/183041992.db2.gz	UEQOGGZQIRGICM-UHFFFAOYSA-N	0	0	246.309	2.820	1	30		BFEFRN
c1ccc(-c2ccc(NC3=NCCO3)cc2)cc1	ZINC000040412478	183379697	/nfs/dbraw/zinc/37/96/97/183379697.db2.gz	INGYJPLDODMIEL-UHFFFAOYSA-N	0	0	238.290	2.961	1	30		BFEFRN
C=CCCSc1ncnc2c1cnn2CC=C	ZINC000028894942	166293829	/nfs/dbraw/zinc/29/38/29/166293829.db2.gz	QYZHZPCRLRRRGU-UHFFFAOYSA-N	0	0	246.339	2.681	1	30		BFEFRN
CC/C=C\CC[C@H](O)C1=CCCCC1=O	ZINC000003965607	167861779	/nfs/dbraw/zinc/86/17/79/167861779.db2.gz	GEGCTKNWHQTDCW-MVZIDQBPSA-N	0	0	208.301	2.773	1	30		BFEFRN
CC1=CC(=O)CC(C)(C)[C@@]12C=CC(=O)CC2	ZINC000014585406	168091223	/nfs/dbraw/zinc/09/12/23/168091223.db2.gz	GLVZMJJTCUYPNA-CQSZACIVSA-N	0	0	218.296	2.837	1	30		BFEFRN
Cc1c2cc3c(c(C)cc-2oc1=O)C(=O)C=C3C	ZINC000014619519	168092548	/nfs/dbraw/zinc/09/25/48/168092548.db2.gz	VNKUJZXHKKCWCV-UHFFFAOYSA-N	0	0	240.258	2.961	1	30	biogenic	BFEFRN
CC1=CC[C@]2(CC1=O)[C@@H](C)C[C@@H](O)[C@H]2C(C)C	ZINC000039121115	168122382	/nfs/dbraw/zinc/12/23/82/168122382.db2.gz	ADNFCKCPNFGLCH-MXYBEHONSA-N	0	0	236.355	2.955	1	30		BFEFRN
CC1=C[C@@H]2C[C@@]34O[C@@]3(CC(=O)O4)C(C)(C)[C@@H]2CC1	ZINC000040980661	168126884	/nfs/dbraw/zinc/12/68/84/168126884.db2.gz	CGBNIHVFQQVBKM-HKCMKHECSA-N	0	0	248.322	2.801	1	30		BFEFRN
CC1=C[C@H]2C[C@@]34O[C@@]3(CC(=O)O4)C(C)(C)[C@H]2CC1	ZINC000040980666	168132191	/nfs/dbraw/zinc/13/21/91/168132191.db2.gz	CGBNIHVFQQVBKM-LWWSYDQCSA-N	0	0	248.322	2.801	1	30		BFEFRN
CCc1sc(C)nc1C#Cc1cccnc1	ZINC000013680916	172129726	/nfs/dbraw/zinc/12/97/26/172129726.db2.gz	SJJSHLRFCBWELS-UHFFFAOYSA-N	0	0	228.320	2.809	1	30	in-vivo	BFEFRN
CN(C)C(=O)Oc1ccc2ccccc2c1C#N	ZINC000084688348	172381935	/nfs/dbraw/zinc/38/19/35/172381935.db2.gz	UPWYPFYFJZLBFA-UHFFFAOYSA-N	0	0	240.262	2.772	1	30		BFEFRN
CO/N=C/CC(=O)c1ccc(OC(C)C)cc1	ZINC000103153498	173492188	/nfs/dbraw/zinc/49/21/88/173492188.db2.gz	JHXSJLSZKQDMEO-NTEUORMPSA-N	0	0	235.283	2.679	1	30		BFEFRN
COc1ccc(/C=C/[C@@H]2CC(=O)C=CO2)cc1	ZINC000084727185	175047578	/nfs/dbraw/zinc/04/75/78/175047578.db2.gz	XLAVUKOAAZDFGY-BTKRWWFXSA-N	0	0	230.263	2.580	1	30		BFEFRN
COc1ccc([C@@H]2C=CC(=O)CC2)c(OC)c1	ZINC000095571411	175181678	/nfs/dbraw/zinc/18/16/78/175181678.db2.gz	MRCGSKRFUOGWAB-SNVBAGLBSA-N	0	0	232.279	2.707	3	30		BFEFRN
COc1ccccc1/C(=N/O)NC1CCCCC1	ZINC000072180112	175314151	/nfs/dbraw/zinc/31/41/51/175314151.db2.gz	MXJOLMAYDWVYSE-UHFFFAOYSA-N	0	0	248.326	2.753	1	30		BFEFRN
C[C@H]1C[C@@H]2[C@@H]3CCC(=O)C=C3CC[C@@]2(C)[C@@H]1O	ZINC000029475470	177353024	/nfs/dbraw/zinc/35/30/24/177353024.db2.gz	USYWOLRCXBJNMO-JZLHEVAFSA-N	0	0	234.339	2.709	1	30		BFEFRN
C[C@H]1C[C@H]2[C@H]3CCC(=O)C=C3CC[C@@]2(C)[C@@H]1O	ZINC000029475482	177387315	/nfs/dbraw/zinc/38/73/15/177387315.db2.gz	USYWOLRCXBJNMO-JLGPQHSXSA-N	0	0	234.339	2.709	1	30		BFEFRN
C=C[C@@]1(C)C[C@@]2(O)OC(=O)C(C)=C2C[C@@H]1C(=C)C	ZINC000070454895	560047894	/nfs/dbraw/zinc/04/78/94/560047894.db2.gz	SZSKOUUYIBMAJD-BYCMXARLSA-N	0	0	248.322	2.727	1	30	biogenic,in-vitro	BFEFRN
CC1=C2[C@@H](O)C[C@@H](C)[C@H]2[C@H]2[C@@H](CC1=O)C2(C)C	ZINC000034457786	560087422	/nfs/dbraw/zinc/08/74/22/560087422.db2.gz	NBURJTWYUXMZMQ-BITPFMKHSA-N	0	0	234.339	2.565	1	30	biogenic,in-vitro	BFEFRN
C=C1CC/C=C(\C)C(=O)[C@H](O)[C@@H]2[C@@H]1CC2(C)C	ZINC000017722352	560090964	/nfs/dbraw/zinc/09/09/64/560090964.db2.gz	AXGJIHAKGFPXOX-BFRHVZAJSA-N	0	0	234.339	2.875	1	30	biogenic,in-vitro	BFEFRN
C=C1CC[C@@H]2[C@](C)(O)CC[C@@H](C(C)C)[C@@]2(O)C1	ZINC000013381684	571699733	/nfs/dbraw/zinc/69/97/33/571699733.db2.gz	AHNGXHRYFGQWSL-YJNKXOJESA-N	0	0	238.371	2.891	1	30	endogenous,in-man	BFEFRN
C=C(C)[C@H]1CC(=O)[C@H]2C[C@H](O)C[C@H](C)[C@]2(C)C1	ZINC000100778631	571828448	/nfs/dbraw/zinc/82/84/48/571828448.db2.gz	MZPGODIAQREELD-WHPHWUKISA-N	0	0	236.355	2.955	1	30	endogenous,in-man	BFEFRN
CC(C)=CC(=O)C[C@@]1(C)[C@@H]2C[C@H]1C[C@H](O)[C@H]2C	ZINC000100780416	571833280	/nfs/dbraw/zinc/83/32/80/571833280.db2.gz	TZZOUTYFTVJIFX-ZYDPBQMLSA-N	0	0	236.355	2.955	1	30	endogenous,in-man	BFEFRN
C=C1[C@@H]2CC[C@H](C(C)=O)[C@H]2[C@H](C(C)C)C[C@H]1O	ZINC000100783333	571839460	/nfs/dbraw/zinc/83/94/60/571839460.db2.gz	JNIVOKDEGVTPPC-ZQNQSHIBSA-N	0	0	236.355	2.811	1	30	endogenous,in-man	BFEFRN
C=C(C)[C@@H]1CC[C@](C)(O)[C@@H]2CC[C@@](C)(O)[C@H]2C1	ZINC000257371471	571859161	/nfs/dbraw/zinc/85/91/61/571859161.db2.gz	RQHOQQOEZPFYTD-NIFZNCRKSA-N	0	0	238.371	2.891	1	30	endogenous,in-man	BFEFRN
C=C(C)[C@H]1CC[C@@](C)(O)[C@@H]2CC[C@@](C)(O)[C@@H]2C1	ZINC000015265113	574413912	/nfs/dbraw/zinc/41/39/12/574413912.db2.gz	RQHOQQOEZPFYTD-NJVJYBDUSA-N	0	0	238.371	2.891	1	30	endogenous,in-man	BFEFRN
C=C1Cc2occ(C)c2C(=O)[C@@]2(O)[C@@H]1CC[C@@H]2C	ZINC000086007188	574416901	/nfs/dbraw/zinc/41/69/01/574416901.db2.gz	CKDRPCYJCDMPFO-RWSFTLGLSA-N	0	0	246.306	2.660	1	30	endogenous,in-man	BFEFRN