smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=C(C)[C@H]1CC[C@]2(C)CCCC(=C)[C@H]2C1	ZINC000000967554	560179977	/nfs/dbraw/zinc/17/99/77/560179977.db2.gz	YOVSPTNQHMDJAG-ZNMIVQPWSA-N	0	0	204.357	4.725	1	30	biogenic,in-vitro	BJEFRN
CCCCCCCCSC(=O)NCCCC	ZINC000001618956	168653780	/nfs/dbraw/zinc/65/37/80/168653780.db2.gz	QQCRJBAXCMQBLQ-UHFFFAOYSA-N	0	0	245.432	4.590	1	30		BJEFRN
C=C(C)[C@@H]1C=C2[C@H](CC[C@@H]2C)[C@@H](C)CC1	ZINC000002584416	188101296	/nfs/dbraw/zinc/10/12/96/188101296.db2.gz	DUYRYUZIBGFLDD-XDQVBPFNSA-N	0	0	204.357	4.581	1	30		BJEFRN
C=C1[C@H]2CC[C@H](C2)[C@@]1(C)CCC=C(C)C	ZINC000008234291	571692616	/nfs/dbraw/zinc/69/26/16/571692616.db2.gz	PGBNIHXXFQBCPU-ZNMIVQPWSA-N	0	0	204.357	4.725	1	30	endogenous,in-man	BJEFRN
C=C1[C@H]2CC[C@H](C2)[C@]1(C)CCC=C(C)C	ZINC000008234292	571692638	/nfs/dbraw/zinc/69/26/38/571692638.db2.gz	PGBNIHXXFQBCPU-RRFJBIMHSA-N	0	0	204.357	4.725	1	30	endogenous,in-man	BJEFRN
C=C(C)[C@H]1CC[C@@]2(C1)C(C)=CCC[C@H]2C	ZINC000008437017	560208981	/nfs/dbraw/zinc/20/89/81/560208981.db2.gz	WEZDOYDDKIHCLM-QLFBSQMISA-N	0	0	204.357	4.725	1	30	in-vitro	BJEFRN
CC1=C[C@@H]2[C@@H](CC1)[C@](C)(S)CC[C@H]2C(C)C	ZINC000013381697	168132398	/nfs/dbraw/zinc/13/23/98/168132398.db2.gz	NHIPRVZTDBRCSA-BYNSBNAKSA-N	0	0	238.440	4.713	1	30		BJEFRN
C/C=C\C=C\C=C/CCC=CC(=O)NCC(C)C	ZINC000015146193	571732916	/nfs/dbraw/zinc/73/29/16/571732916.db2.gz	SBXYHCVXUCYYJT-JRNWQWJGSA-N	0	0	247.382	4.624	1	30	endogenous,in-man	BJEFRN
[N-]=[N+]=Nc1nc2ccccc2c(N=[N+]=[N-])c1Cl	ZINC000017253745	188107381	/nfs/dbraw/zinc/10/73/81/188107381.db2.gz	CWMGIBFIUQOSPK-UHFFFAOYSA-N	0	0	245.633	4.772	1	30		BJEFRN
C=CC[C@H](Nc1ccc(C)cc1)c1ccsc1	ZINC000029058075	188234022	/nfs/dbraw/zinc/23/40/22/188234022.db2.gz	FMYDOWQBDGLKMQ-HNNXBMFYSA-N	0	0	243.375	4.786	1	30		BJEFRN
C=CC[C@@H](Nc1ccc(C)cc1)c1ccsc1	ZINC000029058080	187372328	/nfs/dbraw/zinc/37/23/28/187372328.db2.gz	FMYDOWQBDGLKMQ-OAHLLOKOSA-N	0	0	243.375	4.786	1	30		BJEFRN
C=CC[C@H](Nc1ccc(C)cc1)c1cccs1	ZINC000029058224	188059867	/nfs/dbraw/zinc/05/98/67/188059867.db2.gz	HTBGEXWIKUTJID-AWEZNQCLSA-N	0	0	243.375	4.786	1	30		BJEFRN
C=CC[C@@H](Nc1ccc(C)cc1)c1cccs1	ZINC000029058228	187208492	/nfs/dbraw/zinc/20/84/92/187208492.db2.gz	HTBGEXWIKUTJID-CQSZACIVSA-N	0	0	243.375	4.786	1	30		BJEFRN
C=CC[C@@H](Nc1ccc(Cl)cc1)c1ccoc1	ZINC000029058330	187207716	/nfs/dbraw/zinc/20/77/16/187207716.db2.gz	YEGMMDVNUBJKDD-CQSZACIVSA-N	0	0	247.725	4.662	1	30		BJEFRN
C=C(C)[C@H]1CCC[C@@]2(C)CCC[C@@](C)(C#N)[C@@H]12	ZINC000040379133	187263189	/nfs/dbraw/zinc/26/31/89/187263189.db2.gz	UZOKDTCVQZBQPP-UGUYLWEFSA-N	0	0	231.383	4.699	1	30		BJEFRN
Cc1ccccc1-c1sc2ccccc2c1C#N	ZINC000045353793	179241232	/nfs/dbraw/zinc/24/12/32/179241232.db2.gz	WDUYGMNMWJXCNM-UHFFFAOYSA-N	0	0	249.338	4.748	1	30		BJEFRN
C=C[C@]1(C)CC[C@@H](C(C)C)C[C@H]1C(=C)C	ZINC000059065168	560083175	/nfs/dbraw/zinc/08/31/75/560083175.db2.gz	VGLVBDNQOXVDTC-QLFBSQMISA-N	0	0	206.373	4.827	1	30	biogenic,in-vitro	BJEFRN
C=C1CC[C@@]2([C@H](C)CCC=C(C)C)C[C@@H]12	ZINC000059066035	560083220	/nfs/dbraw/zinc/08/32/20/560083220.db2.gz	DYUSFBWNOCHOFP-ILXRZTDVSA-N	0	0	204.357	4.725	1	30	biogenic,in-man	BJEFRN
C=C(C)C1=C2CC[C@H](C)[C@H]2CC(C)(C)C1	ZINC000059172797	560083114	/nfs/dbraw/zinc/08/31/14/560083114.db2.gz	KUBSAWBFAOYMLQ-SMDDNHRTSA-N	0	0	204.357	4.725	1	30	biogenic,in-vitro	BJEFRN
C=C1C=C2[C@@H](C(C)C)CC[C@H](C)[C@@H]2CC1	ZINC000059268582	571771002	/nfs/dbraw/zinc/77/10/02/571771002.db2.gz	RNDFUOKDULDZPR-MJBXVCDLSA-N	0	0	204.357	4.581	1	30	endogenous,in-man	BJEFRN
C=C1CC[C@@H](C(C)C)[C@H]2C=C(C)CC[C@@H]12	ZINC000059585923	560083111	/nfs/dbraw/zinc/08/31/11/560083111.db2.gz	WRHGORWNJGOVQY-SOUVJXGZSA-N	0	0	204.357	4.581	1	30	biogenic,in-vitro	BJEFRN
C=C1CC[C@H](C(C)C)[C@H]2C=C(C)CC[C@@H]12	ZINC000059586531	571770767	/nfs/dbraw/zinc/77/07/67/571770767.db2.gz	WRHGORWNJGOVQY-QLFBSQMISA-N	0	0	204.357	4.581	1	30	endogenous,in-man	BJEFRN
CC#Cc1ccc(-c2ccc(Cl)s2)s1	ZINC000059586716	560082960	/nfs/dbraw/zinc/08/29/60/560082960.db2.gz	NCWUBELUJQACKS-UHFFFAOYSA-N	0	0	238.764	4.501	1	30	biogenic,in-vitro	BJEFRN
C=C(C)[C@H]1CC[C@H](C)[C@]12CC=C(C)CC2	ZINC000059586738	290798973	/nfs/dbraw/zinc/79/89/73/290798973.db2.gz	DVBSKQAFCDJNSL-RRFJBIMHSA-N	0	0	204.357	4.725	1	30	biogenic,in-vitro	BJEFRN
C=C(C)[C@@H]1CC[C@@]2(C)CCCC(C)=C2C1	ZINC000059587169	560082825	/nfs/dbraw/zinc/08/28/25/560082825.db2.gz	MOTCYZHGMCNNRH-UKRRQHHQSA-N	0	0	204.357	4.869	1	30	biogenic,in-vitro	BJEFRN
C=C1C[C@H]2C[C@@H](C1)C2(C)CCC=C(C)C	ZINC000059588310	560082644	/nfs/dbraw/zinc/08/26/44/560082644.db2.gz	ZQFNEZGTAMRQSK-YIONKMFJSA-N	0	0	204.357	4.725	1	30	biogenic,in-vitro	BJEFRN
C=C1CC/C=C(/C)CC[C@H]2[C@H](CC)[C@@H](C)[C@H]12	ZINC000059588736	560082598	/nfs/dbraw/zinc/08/25/98/560082598.db2.gz	ZFAPNVWTEQGQGL-AZFBHODMSA-N	0	0	218.384	4.971	1	30	biogenic,in-vitro	BJEFRN
C=C(C)[C@@H]1CC[C@@]2(C)CC=CC(C)=C2C1	ZINC000059588944	560082566	/nfs/dbraw/zinc/08/25/66/560082566.db2.gz	LGRISOGTKBAJPA-UKRRQHHQSA-N	0	0	202.341	4.645	1	30	biogenic,in-vitro	BJEFRN
C=C1C=C2CCC[C@H](C)[C@@]2(C)[C@H]2[C@@H]1C2(C)C	ZINC000059589051	560082606	/nfs/dbraw/zinc/08/26/06/560082606.db2.gz	KHYRRFYFERPMRS-ZGMNHVEMSA-N	0	0	216.368	4.581	1	30	biogenic,in-vitro	BJEFRN
C=C(C)[C@H]1CC[C@]2(C)CCCC(=C)[C@@H]2C1	ZINC000059778397	571771505	/nfs/dbraw/zinc/77/15/05/571771505.db2.gz	YOVSPTNQHMDJAG-KKUMJFAQSA-N	0	0	204.357	4.725	1	30	endogenous,in-man	BJEFRN
C=C(C)[C@H]1CC[C@@]2(C)CCCC(=C)[C@@H]2C1	ZINC000059778400	571771529	/nfs/dbraw/zinc/77/15/29/571771529.db2.gz	YOVSPTNQHMDJAG-SOUVJXGZSA-N	0	0	204.357	4.725	1	30	endogenous,in-man	BJEFRN
C=C1CCCC(C)(C)[C@H]2C=C(C)CC[C@@H]12	ZINC000059778544	188258996	/nfs/dbraw/zinc/25/89/96/188258996.db2.gz	ZJSIKVDEOWWVEH-KBPBESRZSA-N	0	0	204.357	4.725	1	30	biogenic,in-vitro	BJEFRN
C=C1C=C[C@@H]([C@H](C)CCC=C(C)C)CC1	ZINC000062233819	571771355	/nfs/dbraw/zinc/77/13/55/571771355.db2.gz	PHWISBHSBNDZDX-HUUCEWRRSA-N	0	0	204.357	4.891	1	30	endogenous,in-man	BJEFRN
C=C[C@@]1(C)CC[C@@H](C(=C)C)C[C@H]1C(=C)C	ZINC000062237753	571771319	/nfs/dbraw/zinc/77/13/19/571771319.db2.gz	OPFTUNCRGUEPRZ-ILXRZTDVSA-N	0	0	204.357	4.747	1	30	endogenous,in-man	BJEFRN
C=C[C@@]1(C)CC[C@H](C(=C)C)C[C@H]1C(=C)C	ZINC000062237755	571771611	/nfs/dbraw/zinc/77/16/11/571771611.db2.gz	OPFTUNCRGUEPRZ-KKUMJFAQSA-N	0	0	204.357	4.747	1	30	endogenous,in-man	BJEFRN
C=C(C)[C@H]1CC[C@H](C)[C@@]12CC=C(C)CC2	ZINC000062237779	560078642	/nfs/dbraw/zinc/07/86/42/560078642.db2.gz	DVBSKQAFCDJNSL-ZNMIVQPWSA-N	0	0	204.357	4.725	1	30	biogenic,in-vitro	BJEFRN
C=C1CC[C@H]2C[C@@H]1[C@]2(C)CCC=C(C)C	ZINC000062612244	560078612	/nfs/dbraw/zinc/07/86/12/560078612.db2.gz	DGZBGCMPRYFWFF-SOUVJXGZSA-N	0	0	204.357	4.725	1	30	biogenic,in-vitro	BJEFRN
C=C1C=C2[C@@H](C(C)C)CC[C@@H](C)[C@@H]2CC1	ZINC000064634152	571772259	/nfs/dbraw/zinc/77/22/59/571772259.db2.gz	RNDFUOKDULDZPR-MCIONIFRSA-N	0	0	204.357	4.581	1	30	endogenous,in-man	BJEFRN
C=C1CCC[C@]2(C)CC[C@@H](C(C)C)C[C@H]12	ZINC000069482280	560078295	/nfs/dbraw/zinc/07/82/95/560078295.db2.gz	IEICDHBPEPUHOB-RBSFLKMASA-N	0	0	206.373	4.805	1	30	biogenic,in-vitro	BJEFRN
C=C1CCCC(=C)[C@H]2CC(C)(C)[C@@H]2CC1	ZINC000069482518	560078301	/nfs/dbraw/zinc/07/83/01/560078301.db2.gz	PMMLIVYPEUJENN-ZIAGYGMSSA-N	0	0	204.357	4.725	1	30	biogenic,in-vitro	BJEFRN
C=C1CCC/C(C)=C\C[C@@H]2[C@H]1CC2(C)C	ZINC000070451255	290799585	/nfs/dbraw/zinc/79/95/85/290799585.db2.gz	NSMRKFBAPAOVQL-OQXBOSRRSA-N	0	0	204.357	4.725	1	30	biogenic,in-vitro	BJEFRN
CCCCC#CCC#CCCCCCC	ZINC000070454012	560048822	/nfs/dbraw/zinc/04/88/22/560048822.db2.gz	ANNOQCCFJMIPHQ-UHFFFAOYSA-N	0	0	204.357	4.544	1	30	biogenic,in-vitro	BJEFRN
C=C1CCC[C@@]2(C)CC[C@@H]3C(C)(C)C[C@]132	ZINC000070454077	560048811	/nfs/dbraw/zinc/04/88/11/560048811.db2.gz	LTMKWDWWHXRNMO-SNPRPXQTSA-N	0	0	204.357	4.559	1	30	biogenic,in-man	BJEFRN
C=C(CCC=C(C)C)c1ccc(C)cc1	ZINC000070454579	560048182	/nfs/dbraw/zinc/04/81/82/560048182.db2.gz	YAZBKDRDYPAXAO-UHFFFAOYSA-N	0	0	200.325	4.755	1	30	biogenic,in-vitro	BJEFRN
C=C1CC[C@@H](C(C)C)C[C@@]12CCC[C@H]2C	ZINC000070454997	560047874	/nfs/dbraw/zinc/04/78/74/560047874.db2.gz	YJNQXYUMOJIGBS-BPLDGKMQSA-N	0	0	206.373	4.805	1	30	biogenic,in-vitro	BJEFRN
C=C(C)[C@H]1CC[C@]2(C)CCC=C(C)[C@H]2C1	ZINC000070455020	560047740	/nfs/dbraw/zinc/04/77/40/560047740.db2.gz	OZQAPQSEYFAMCY-ZNMIVQPWSA-N	0	0	204.357	4.725	1	30	biogenic,in-vitro	BJEFRN
C=C(C)[C@@H]1CC[C@@]2(C)CCC[C@](C)(OC)[C@@H]2C1	ZINC000070455169	560047604	/nfs/dbraw/zinc/04/76/04/560047604.db2.gz	SGRUNWZTMUZTDU-FPCVCCKLSA-N	0	0	236.399	4.574	1	30	biogenic,in-vitro	BJEFRN
C=C(C)C1=C2C[C@@H](C)CC[C@@H]2[C@@H](C)CC1	ZINC000070455386	290798667	/nfs/dbraw/zinc/79/86/67/290798667.db2.gz	BDGCRWMOCSWZSC-SGMGOOAPSA-N	0	0	204.357	4.725	1	30	biogenic,in-vitro	BJEFRN
C=C1CC[C@]2(C)C[C@H]1[C@]1(C)CCC[C@]21C	ZINC000070455388	560047263	/nfs/dbraw/zinc/04/72/63/560047263.db2.gz	RTONMYLSQISFQA-APIJFGDWSA-N	0	0	204.357	4.559	1	30	biogenic,in-vitro	BJEFRN
CCCCCCCCCCC/C=C/C(=O)OC	ZINC000070455487	290802189	/nfs/dbraw/zinc/80/21/89/290802189.db2.gz	CKTWGIPZKUEHIY-BUHFOSPRSA-N	0	0	240.387	4.637	1	30	biogenic,in-vitro	BJEFRN
C=C(CCC=C(C)C)[C@@H]1C=C[C@@H](C)CC1	ZINC000085488795	560075669	/nfs/dbraw/zinc/07/56/69/560075669.db2.gz	HLXYVONWCAIOIR-UKRRQHHQSA-N	0	0	204.357	4.891	1	30	biogenic,in-vitro	BJEFRN
C=C(C)[C@H]1CC=C(C)[C@@H]2CC[C@H](C)C[C@H]21	ZINC000085489228	560075638	/nfs/dbraw/zinc/07/56/38/560075638.db2.gz	DZTRMTFGDPGXQR-ATGSNQNLSA-N	0	0	204.357	4.581	1	30	biogenic,in-vitro	BJEFRN
C=C1CC[C@H]2C(=C)CC[C@@H](C(C)C)[C@@H]2C1	ZINC000085489243	571781878	/nfs/dbraw/zinc/78/18/78/571781878.db2.gz	NOLWRMQDWRAODO-KKUMJFAQSA-N	0	0	204.357	4.581	1	30	endogenous,in-man	BJEFRN
C=C[C@]1(C)Cc2occ(C)c2C(=C)[C@H]1C(=C)C	ZINC000085491805	290800480	/nfs/dbraw/zinc/80/04/80/290800480.db2.gz	IUSQJOJQZUNLJG-HZPDHXFCSA-N	0	0	228.335	4.542	1	30	biogenic,in-vitro	BJEFRN
C=C[C@]1(C)CC[C@]2(C)C(=C)[C@H]1CC[C@@H]2C	ZINC000085493575	560074919	/nfs/dbraw/zinc/07/49/19/560074919.db2.gz	UYQNCGFXZZVAAK-MYPMTAMASA-N	0	0	204.357	4.581	1	30	biogenic,in-vitro	BJEFRN
C=C[C@]1(C)CC=C2CCC(C)(C)[C@@H]2CC1	ZINC000085532121	290800238	/nfs/dbraw/zinc/80/02/38/290800238.db2.gz	XFFSZJFAUMNTMB-UKRRQHHQSA-N	0	0	204.357	4.725	1	30	biogenic,in-vitro	BJEFRN
C=C1CCC(C)(C)C2=CCCC(C)(C)[C@H]12	ZINC000085540961	560071662	/nfs/dbraw/zinc/07/16/62/560071662.db2.gz	DOTPZZZHOADLRP-CYBMUJFWSA-N	0	0	204.357	4.725	1	30	biogenic,in-vitro	BJEFRN
C=C[C@@]1(C)CC[C@]2(C)C(=C)[C@H]1CC[C@H]2C	ZINC000085541207	560070587	/nfs/dbraw/zinc/07/05/87/560070587.db2.gz	UYQNCGFXZZVAAK-RZFFKMDDSA-N	0	0	204.357	4.581	1	30	biogenic,in-vitro	BJEFRN
C=C1C=C2CCC[C@@H]3CC=C[C@@]4([C@@H]1C4(C)C)[C@@]23C	ZINC000085545316	560070826	/nfs/dbraw/zinc/07/08/26/560070826.db2.gz	PJQHHUZJEWLKTR-SIUPPRGNSA-N	0	0	240.390	4.891	1	30	biogenic,in-vitro	BJEFRN
C=C1C=C2CC[C@@H]3CCC[C@@]2([C@H]2[C@@H]1C2(C)C)[C@H]3C	ZINC000085545327	560070818	/nfs/dbraw/zinc/07/08/18/560070818.db2.gz	WOWKIVUCXFPDAO-JDVPTSSJSA-N	0	0	242.406	4.971	1	30	biogenic,in-vitro	BJEFRN
C=C1[C@H]2CC[C@H](C2)[C@]1(C)C1CCCCC1	ZINC000085546708	560070576	/nfs/dbraw/zinc/07/05/76/560070576.db2.gz	DZDSYUDLAQUDGR-CFVMTHIKSA-N	0	0	204.357	4.559	1	30	biogenic,in-vitro	BJEFRN
C=C1CCC[C@@]1(C)[C@]1(C)CC=C(C)CC1	ZINC000085574351	188270554	/nfs/dbraw/zinc/27/05/54/188270554.db2.gz	YFLSTROSSKYYNK-HUUCEWRRSA-N	0	0	204.357	4.869	1	30		BJEFRN
C=C(C)[C@H]1CCC(C)=C2CC[C@@H](C)[C@@H]2C1	ZINC000085598968	571786321	/nfs/dbraw/zinc/78/63/21/571786321.db2.gz	YHAJBLWYOIUHHM-IPYPFGDCSA-N	0	0	204.357	4.725	1	30	endogenous,in-man	BJEFRN
C=C(C)[C@H]1CCC(C)=C2CC[C@H](C)[C@@H]2C1	ZINC000085598971	187243579	/nfs/dbraw/zinc/24/35/79/187243579.db2.gz	YHAJBLWYOIUHHM-YDHLFZDLSA-N	0	0	204.357	4.725	1	30	endogenous,in-man	BJEFRN
C=C(C)[C@H]1CC[C@H](C)C2=C(C1)[C@@H](C)CC2	ZINC000085598977	571786295	/nfs/dbraw/zinc/78/62/95/571786295.db2.gz	ADIDQIZBYUABQK-AVGNSLFASA-N	0	0	204.357	4.725	1	30	endogenous,in-man	BJEFRN
C=C1C=C2[C@H](C(C)C)CC[C@@H](C)[C@@H]2CC1	ZINC000085600689	571786134	/nfs/dbraw/zinc/78/61/34/571786134.db2.gz	RNDFUOKDULDZPR-RDBSUJKOSA-N	0	0	204.357	4.581	1	30	endogenous,in-man	BJEFRN
C=C1C=C2[C@H](C(C)C)CC[C@H](C)[C@@H]2CC1	ZINC000085600693	571786534	/nfs/dbraw/zinc/78/65/34/571786534.db2.gz	RNDFUOKDULDZPR-IHRRRGAJSA-N	0	0	204.357	4.581	1	30	endogenous,in-man	BJEFRN
C=C1CC[C@H](C(C)C)[C@@H]2C=C(C)CC[C@@H]12	ZINC000085600705	571786451	/nfs/dbraw/zinc/78/64/51/571786451.db2.gz	WRHGORWNJGOVQY-ILXRZTDVSA-N	0	0	204.357	4.581	1	30	endogenous,in-man	BJEFRN
C=C1CC[C@H](C(C)C)[C@@H]2C=C(C)CC[C@H]12	ZINC000085600707	188270720	/nfs/dbraw/zinc/27/07/20/188270720.db2.gz	WRHGORWNJGOVQY-KFWWJZLASA-N	0	0	204.357	4.581	1	30	endogenous,in-man	BJEFRN
C=C1C=C2[C@@H](C(C)C)CC[C@H](C)[C@H]2CC1	ZINC000085644661	560067325	/nfs/dbraw/zinc/06/73/25/560067325.db2.gz	RNDFUOKDULDZPR-BFHYXJOUSA-N	0	0	204.357	4.581	1	30	biogenic,in-vitro	BJEFRN
C=C(C)[C@@H]1CCC2=CC(=C)C[C@@H](C)[C@]2(C)C1	ZINC000085648165	560067025	/nfs/dbraw/zinc/06/70/25/560067025.db2.gz	ZHZKVVITYBMLFH-FMKPAKJESA-N	0	0	216.368	4.891	1	30	biogenic,in-vitro	BJEFRN
C=C(C)[C@@H]1CC[C@@]2(C)CC=CC(=C)[C@@H]2C1	ZINC000085757660	290798681	/nfs/dbraw/zinc/79/86/81/290798681.db2.gz	DDLAIUOYTHJYGD-QLFBSQMISA-N	0	0	202.341	4.501	1	30	biogenic,in-vitro	BJEFRN
C=C(C)[C@H]1C=C2C(C)=CCC[C@]2(C)CC1	ZINC000085757667	290798969	/nfs/dbraw/zinc/79/89/69/290798969.db2.gz	PWAPUSDWDZRECY-UKRRQHHQSA-N	0	0	202.341	4.645	1	30	biogenic,in-vitro	BJEFRN
C=C(C)[C@H]1CCC[C@@]2(C)CCCC(=C)[C@H]12	ZINC000085813055	560066687	/nfs/dbraw/zinc/06/66/87/560066687.db2.gz	HRMKWYBXBKFOIS-RBSFLKMASA-N	0	0	204.357	4.725	1	30	biogenic,in-vitro	BJEFRN
C=C(C)[C@H]1CCC[C@@]2(C)C=CCC(=C)[C@H]12	ZINC000085813071	290798940	/nfs/dbraw/zinc/79/89/40/290798940.db2.gz	KSQRZYSCIBVHIW-RBSFLKMASA-N	0	0	202.341	4.501	1	30	biogenic,in-vitro	BJEFRN
C=CCCCCC/C=C/CC#CC#C/C=C\C	ZINC000085831877	571788908	/nfs/dbraw/zinc/78/89/08/571788908.db2.gz	OJWVHJFAQCYGMT-LPMQCFACSA-N	0	0	226.363	4.652	1	30	endogenous,in-man	BJEFRN
C=C(C)[C@H]1CCCC(=C)[C@@H]2CCC(=C)[C@@H]21	ZINC000085842308	290798930	/nfs/dbraw/zinc/79/89/30/290798930.db2.gz	WHXNGWDWVGXRQW-QLFBSQMISA-N	0	0	202.341	4.501	1	30	biogenic,in-vitro	BJEFRN
C=C(C)CC/C=C(/C)c1ccc(C)cc1	ZINC000085851347	290798673	/nfs/dbraw/zinc/79/86/73/290798673.db2.gz	ATHANBLXCHRFDY-AUWJEWJLSA-N	0	0	200.325	4.755	1	30	biogenic,in-vitro	BJEFRN
C=C(C)CCCC(=C)c1ccc(C)cc1	ZINC000085851351	290798664	/nfs/dbraw/zinc/79/86/64/290798664.db2.gz	FRNIMXBIDKGTCS-UHFFFAOYSA-N	0	0	200.325	4.755	1	30	biogenic,in-vitro	BJEFRN
C=C(CCCC(C)C)c1ccc(C)cc1	ZINC000085851400	560066529	/nfs/dbraw/zinc/06/65/29/560066529.db2.gz	OUOQVJYYZABQJT-UHFFFAOYSA-N	0	0	202.341	4.835	1	30	biogenic,in-vitro	BJEFRN
C=C1CC[C@@H]2C(C)=CC[C@H](C(C)C)[C@H]2C1	ZINC000085880225	574416830	/nfs/dbraw/zinc/41/68/30/574416830.db2.gz	COEMCKKNQLRLNH-RBSFLKMASA-N	0	0	204.357	4.581	1	30	endogenous,in-man	BJEFRN
C=C1CC[C@@H]2C(C)=CC[C@@H](C(C)C)[C@H]2C1	ZINC000085880227	574416824	/nfs/dbraw/zinc/41/68/24/574416824.db2.gz	COEMCKKNQLRLNH-RRFJBIMHSA-N	0	0	204.357	4.581	1	30	endogenous,in-man	BJEFRN
C=C1CC[C@@H]2C(C)=CC[C@H](C(C)C)[C@@H]2C1	ZINC000085880230	571790578	/nfs/dbraw/zinc/79/05/78/571790578.db2.gz	COEMCKKNQLRLNH-KFWWJZLASA-N	0	0	204.357	4.581	1	30	endogenous,in-man	BJEFRN
C=C1CC[C@@H]2C(C)=CC[C@@H](C(C)C)[C@@H]2C1	ZINC000085880235	571790650	/nfs/dbraw/zinc/79/06/50/571790650.db2.gz	COEMCKKNQLRLNH-ZNMIVQPWSA-N	0	0	204.357	4.581	1	30	endogenous,in-man	BJEFRN
C=C1CC[C@@H](C(C)C)c2cc(C)ccc21	ZINC000085880343	560066045	/nfs/dbraw/zinc/06/60/45/560066045.db2.gz	KFYISTOZYAKAPV-ZDUSSCGKSA-N	0	0	200.325	4.542	1	30	biogenic,in-man	BJEFRN
C=C(C)[C@H]1CC[C@]2(C)CC=C(C)CC[C@@H]12	ZINC000085935030	560066292	/nfs/dbraw/zinc/06/62/92/560066292.db2.gz	RLNLRKHTQIXWHM-ILXRZTDVSA-N	0	0	204.357	4.725	1	30	biogenic,in-vitro	BJEFRN
C=C[C@]1(C)CC[C@H]2C(C)(C)C[C@]21C(=C)C	ZINC000086035296	560066000	/nfs/dbraw/zinc/06/60/00/560066000.db2.gz	UAOBSVDFJSNTLJ-CFVMTHIKSA-N	0	0	204.357	4.581	1	30	biogenic,in-vitro	BJEFRN
C=C1CCC[C@@]2(C)[C@H]3CC[C@@]12CC3(C)C	ZINC000086042029	571794792	/nfs/dbraw/zinc/79/47/92/571794792.db2.gz	BUDWHMNUSAOQBI-AEGPPILISA-N	0	0	204.357	4.559	1	30	endogenous,in-man	BJEFRN
C=C[C@@]1(C)CC[C@@H](C(=C)C)C[C@@H]1C(=C)C	ZINC000095098821	560062862	/nfs/dbraw/zinc/06/28/62/560062862.db2.gz	OPFTUNCRGUEPRZ-KFWWJZLASA-N	0	0	204.357	4.747	1	30	biogenic,in-vitro	BJEFRN
C=C1C[C@@]23C(=C1C)C[C@@H](CC[C@H]2C)C3(C)C	ZINC000095619492	571798307	/nfs/dbraw/zinc/79/83/07/571798307.db2.gz	CASPQMNSCBDWDR-KFNAQCHYSA-N	0	0	216.368	4.725	1	30	endogenous,in-man	BJEFRN
C=C1C=C2[C@H](CC1)[C@H](C)CC[C@H]2C(C)C	ZINC000095909787	574417140	/nfs/dbraw/zinc/41/71/40/574417140.db2.gz	RNDFUOKDULDZPR-HZSPNIEDSA-N	0	0	204.357	4.581	1	30	endogenous,in-man	BJEFRN
C=C(C)[C@H]1CCC[C@@]2(C)CCC=C(C)[C@H]12	ZINC000095911784	560057897	/nfs/dbraw/zinc/05/78/97/560057897.db2.gz	OLYGAQAHPBFDGU-RBSFLKMASA-N	0	0	204.357	4.725	1	30	biogenic,in-vitro	BJEFRN
C=CCCCCC/C=C\CC#CC#C/C=C/C	ZINC000095911869	560057700	/nfs/dbraw/zinc/05/77/00/560057700.db2.gz	OJWVHJFAQCYGMT-DQWOJMMFSA-N	0	0	226.363	4.652	1	30	biogenic,in-vitro	BJEFRN
C=C[C@]1(C)CCC[C@H](C(=C)C)[C@H]1C(=C)C	ZINC000095912426	560057285	/nfs/dbraw/zinc/05/72/85/560057285.db2.gz	GJWVPRIGTFVAQW-RBSFLKMASA-N	0	0	204.357	4.747	1	30	biogenic,in-vitro	BJEFRN
C=C1CCC[C@]2(C)[C@@]34CC(C)(C)[C@@H]3CC[C@@]124	ZINC000095913834	560056262	/nfs/dbraw/zinc/05/62/62/560056262.db2.gz	JTDDQVIWIAOYMN-ARLBYUKCSA-N	0	0	216.368	4.559	1	30	biogenic,in-vitro	BJEFRN
C=C1CC[C@]2([C@@H](C)CCC=C(C)C)C[C@H]12	ZINC000100778176	571826907	/nfs/dbraw/zinc/82/69/07/571826907.db2.gz	DYUSFBWNOCHOFP-RRFJBIMHSA-N	0	0	204.357	4.725	1	30	endogenous,in-man	BJEFRN
C=C1CC[C@]2([C@H](C)CCC=C(C)C)C[C@H]12	ZINC000100778178	571826903	/nfs/dbraw/zinc/82/69/03/571826903.db2.gz	DYUSFBWNOCHOFP-RBSFLKMASA-N	0	0	204.357	4.725	1	30	endogenous,in-man	BJEFRN
C=C(C)[C@H]1CC[C@]2(C)CCC=C(C)[C@@H]2C1	ZINC000100779219	571830478	/nfs/dbraw/zinc/83/04/78/571830478.db2.gz	OZQAPQSEYFAMCY-KKUMJFAQSA-N	0	0	204.357	4.725	1	30	endogenous,in-man	BJEFRN
C=C(C)[C@H]1CC[C@H](C)C2=C(C1)[C@H](C)CC2	ZINC000100779495	571830876	/nfs/dbraw/zinc/83/08/76/571830876.db2.gz	ADIDQIZBYUABQK-XQQFMLRXSA-N	0	0	204.357	4.725	1	30	endogenous,in-man	BJEFRN
C=C1CCC[C@]2(C)[C@H]3CC[C@@]12CC3(C)C	ZINC000100780709	571834069	/nfs/dbraw/zinc/83/40/69/571834069.db2.gz	BUDWHMNUSAOQBI-NWANDNLSSA-N	0	0	204.357	4.559	1	30	endogenous,in-man	BJEFRN
C=C1CCC[C@]2(C)[C@@H]3CC[C@]12CC3(C)C	ZINC000100780717	571834009	/nfs/dbraw/zinc/83/40/09/571834009.db2.gz	BUDWHMNUSAOQBI-YUELXQCFSA-N	0	0	204.357	4.559	1	30	endogenous,in-man	BJEFRN
C=C1CC[C@H]2C(C)=CC[C@@H](C(C)C)[C@@H]2C1	ZINC000100781770	571836121	/nfs/dbraw/zinc/83/61/21/571836121.db2.gz	COEMCKKNQLRLNH-KKUMJFAQSA-N	0	0	204.357	4.581	1	30	endogenous,in-man	BJEFRN
C=C1CC[C@H]2C(C)=CC[C@H](C(C)C)[C@@H]2C1	ZINC000100781772	571836096	/nfs/dbraw/zinc/83/60/96/571836096.db2.gz	COEMCKKNQLRLNH-ILXRZTDVSA-N	0	0	204.357	4.581	1	30	endogenous,in-man	BJEFRN
C=C1CC[C@H]2C(=C)CC[C@H](C(C)C)[C@@H]2C1	ZINC000100782217	571836971	/nfs/dbraw/zinc/83/69/71/571836971.db2.gz	NOLWRMQDWRAODO-ILXRZTDVSA-N	0	0	204.357	4.581	1	30	endogenous,in-man	BJEFRN
CC(/C=C/[C@H]1C(C)=CCCC1(C)C)=N\OC(C)C	ZINC000103202203	187803960	/nfs/dbraw/zinc/80/39/60/187803960.db2.gz	NKDAVNQJSALWSM-SJCUQYERSA-N	0	0	249.398	4.726	1	30		BJEFRN
CCCO/N=C(C)\C=C\[C@@H]1C(C)=CCCC1(C)C	ZINC000103215417	169297729	/nfs/dbraw/zinc/29/77/29/169297729.db2.gz	SEOGVJVYNBGYPK-RCHUVSAKSA-N	0	0	249.398	4.728	1	30		BJEFRN
CCCO/N=C(C)\C=C\[C@H]1C(C)=CCCC1(C)C	ZINC000103215420	169298133	/nfs/dbraw/zinc/29/81/33/169298133.db2.gz	SEOGVJVYNBGYPK-CTNMLDGOSA-N	0	0	249.398	4.728	1	30		BJEFRN
CC(/C=C/[C@@H]1C(C)=CCCC1(C)C)=N/OC(C)C	ZINC000103215422	188150673	/nfs/dbraw/zinc/15/06/73/188150673.db2.gz	NKDAVNQJSALWSM-RCHUVSAKSA-N	0	0	249.398	4.726	1	30		BJEFRN
C=C1CCC/C=C(\C)CCC2=C[C@H]1CC2	ZINC000103559622	560051630	/nfs/dbraw/zinc/05/16/30/560051630.db2.gz	UTURGVPJEGEHFH-FDYAIDJWSA-N	0	0	202.341	4.789	1	30	biogenic,in-vitro	BJEFRN
C=C1/C=C\[C@@H](C(C)C)CC/C(C)=C/CC1	ZINC000104882975	188081862	/nfs/dbraw/zinc/08/18/62/188081862.db2.gz	GAIBLDCXCZKKJE-BNUWYVMISA-N	0	0	204.357	4.891	1	30		BJEFRN
C=C(C)[C@H]1CCC2=CCC[C@H](C)[C@@]2(C)C1	ZINC000105248652	188254294	/nfs/dbraw/zinc/25/42/94/188254294.db2.gz	QEBNYNLSCGVZOH-KCQAQPDRSA-N	0	0	204.357	4.725	1	30		BJEFRN
C=C1/C=C/[C@@H](C(C)C)CC/C(C)=C/CC1	ZINC000059586407	187360695	/nfs/dbraw/zinc/36/06/95/187360695.db2.gz	GAIBLDCXCZKKJE-RGZOGPIRSA-N	0	0	204.357	4.891	2	30	biogenic,in-vitro	BJEFRN
C=C(C)[C@H]1CC[C@@]2(C)CCC=C(C)[C@H]2C1	ZINC000059589300	187361138	/nfs/dbraw/zinc/36/11/38/187361138.db2.gz	OZQAPQSEYFAMCY-RRFJBIMHSA-N	0	0	204.357	4.725	2	30	biogenic,in-vitro	BJEFRN
CCCCC[C@@H](S)[C@@H](S)CCCCC	ZINC000086864461	168746271	/nfs/dbraw/zinc/74/62/71/168746271.db2.gz	CCCFXKAUMZCQEG-TXEJJXNPSA-N	0	0	234.474	4.744	2	30		BJEFRN
CCCCC[C@@H](S)[C@H](S)CCCCC	ZINC000086864462	385057958	/nfs/dbraw/zinc/05/79/58/385057958.db2.gz	CCCFXKAUMZCQEG-VXGBXAGGSA-N	0	0	234.474	4.744	2	30		BJEFRN
CCCCC[C@H](S)[C@@H](S)CCCCC	ZINC000086864464	385056836	/nfs/dbraw/zinc/05/68/36/385056836.db2.gz	CCCFXKAUMZCQEG-RYUDHWBXSA-N	0	0	234.474	4.744	2	30		BJEFRN
C=C(C)c1sc(-c2ccc(Cl)cc2)nc1C	ZINC000012725960	188224794	/nfs/dbraw/zinc/22/47/94/188224794.db2.gz	XYCHWLCLYCVEFS-UHFFFAOYSA-N	0	0	249.766	4.805	3	30		BJEFRN