smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC/C=C/c1cc2c(c3[nH]ccc31)[C@@H](C)C[C@@H]2C	ZINC000003594088	167857894	/nfs/dbraw/zinc/85/78/94/167857894.db2.gz	YKQKDGDUOYBPHR-WTIVYXKASA-N	0	0	239.362	5.202	1	0		BKAFRN
C(=C/C=C/c1ccccc1)\C=C\Cc1ccccc1	ZINC000044387438	166225268	/nfs/dbraw/zinc/22/52/68/166225268.db2.gz	ALZIGHRHGDHKPD-BCPZQFGSSA-N	0	0	246.353	5.055	1	0		BKAFRN
CCCCC[C@@H](C)CCC[C@@H](C)CCC	ZINC000059587543	290804315	/nfs/dbraw/zinc/80/43/15/290804315.db2.gz	IRMGDQSAWLAMIV-LSDHHAIUSA-N	0	0	212.421	5.809	1	0	biogenic,in-vitro	BKAFRN
CC(C)=C1C/C=C(/C)CC/C=C(/C)CC1	ZINC000059778328	571771394	/nfs/dbraw/zinc/77/13/94/571771394.db2.gz	GXEGJTGWYVZSNR-OMQMMEOVSA-N	0	0	204.357	5.180	1	0	endogenous,in-man	BKAFRN
CC(C)=C1C/C=C(\C)CC/C=C(/C)CC1	ZINC000059778334	560082219	/nfs/dbraw/zinc/08/22/19/560082219.db2.gz	GXEGJTGWYVZSNR-LBJJKJHXSA-N	0	0	204.357	5.180	1	0	biogenic,in-vitro	BKAFRN
C[C@@H]1CCC[C@H](C)CCC(C)(C)CCC1	ZINC000064624194	177113801	/nfs/dbraw/zinc/11/38/01/177113801.db2.gz	UTJJFHJHTZKQSW-KGLIPLIRSA-N	0	0	210.405	5.419	1	0	in-vitro	BKAFRN
C[C@H]1CCC[C@H](C)CCC(C)(C)CCC1	ZINC000064624196	177130567	/nfs/dbraw/zinc/13/05/67/177130567.db2.gz	UTJJFHJHTZKQSW-KBPBESRZSA-N	0	0	210.405	5.419	1	0	in-vitro	BKAFRN
C[C@@H]1CCC[C@@H](C)CCC(C)(C)CCC1	ZINC000064624197	176114400	/nfs/dbraw/zinc/11/44/00/176114400.db2.gz	UTJJFHJHTZKQSW-ZIAGYGMSSA-N	0	0	210.405	5.419	1	0	in-vitro	BKAFRN
C[C@@H]1CCC[C@H](C)CCCC(C)(C)CC1	ZINC000064624198	177113634	/nfs/dbraw/zinc/11/36/34/177113634.db2.gz	UTJJFHJHTZKQSW-UONOGXRCSA-N	0	0	210.405	5.419	1	0	biogenic,in-vitro	BKAFRN
C[C@H]1CCC2=C1C[C@H](C(C)(C)C)CC[C@@H]2C	ZINC000069482378	290804318	/nfs/dbraw/zinc/80/43/18/290804318.db2.gz	FAHRNLUCTDVCOL-RWMBFGLXSA-N	0	0	220.400	5.195	1	0	biogenic,in-vitro	BKAFRN
C/C1=C\C[C@H](C)C/C=C\CC(C)(C)/C=C/[C@@H]1C	ZINC000069482548	560078207	/nfs/dbraw/zinc/07/82/07/560078207.db2.gz	PRUUKXVXEODGHX-DZXWYITNSA-N	0	0	232.411	5.527	1	0	biogenic,in-vitro	BKAFRN
C/C1=C\C[C@H](C)C/C=C/CC(C)(C)/C=C/[C@@H]1C	ZINC000069482551	290802578	/nfs/dbraw/zinc/80/25/78/290802578.db2.gz	PRUUKXVXEODGHX-KBRAGHBDSA-N	0	0	232.411	5.527	1	0	biogenic,in-vitro	BKAFRN
CC(C)=CCC[C@H](C)C1CCC(C)CC1	ZINC000070454520	560048173	/nfs/dbraw/zinc/04/81/73/560048173.db2.gz	PLGPPVNYZMVRCY-SLTAFYQDSA-N	0	0	208.389	5.195	1	0	biogenic,in-vitro	BKAFRN
CC(C)CC(C)(C)CC(C)(C)CC(C)(C)C	ZINC000078239703	166777764	/nfs/dbraw/zinc/77/77/64/166777764.db2.gz	RDUBCTHNBWFPTP-UHFFFAOYSA-N	0	0	226.448	5.911	1	0	in-vitro	BKAFRN
CC(C)CCC[C@@H](C)[C@H]1CCC2=CCCC[C@@]21C	ZINC000084687535	166823006	/nfs/dbraw/zinc/82/30/06/166823006.db2.gz	MDPQFSKVDWZCPS-NXHRZFHOSA-N	0	0	248.454	5.975	1	0		BKAFRN
CC1=CC[C@H]([C@@H]2C(C)=CCCC2(C)C)CC1	ZINC000085490242	560075437	/nfs/dbraw/zinc/07/54/37/560075437.db2.gz	ITCITDAEAKLVHK-GJZGRUSLSA-N	0	0	218.384	5.115	1	0	biogenic,in-vitro	BKAFRN
C[C@H]1CC=C[C@](C)([C@@H]2CCCC3(CCCC3)C2)C1	ZINC000085543680	290804306	/nfs/dbraw/zinc/80/43/06/290804306.db2.gz	JWVZQFHBYXNEMV-BBWFWOEESA-N	0	0	246.438	5.729	1	0	biogenic,in-vitro	BKAFRN
C[C@H]1CC=C[C@](C)([C@H]2CCC3(CCCC3)C2)C1	ZINC000085543682	290804314	/nfs/dbraw/zinc/80/43/14/290804314.db2.gz	FUWVCOTTXRJWLJ-JYJNAYRXSA-N	0	0	232.411	5.339	1	0	biogenic,in-vitro	BKAFRN
CC1=C2C[C@@H]3CC[C@H]4CCCC[C@]3(C)[C@@]24CC1	ZINC000085548338	560072085	/nfs/dbraw/zinc/07/20/85/560072085.db2.gz	YDKOPVPPHDKAOQ-YQFWSFKMSA-N	0	0	230.395	5.093	1	0	biogenic,in-vitro	BKAFRN
CC(C)=CCC[C@@H](C)C1=CCC(C)=CC1	ZINC000085600560	187285768	/nfs/dbraw/zinc/28/57/68/187285768.db2.gz	JXZQZARENYGJMK-CQSZACIVSA-N	0	0	204.357	5.035	1	0	biogenic,in-vitro	BKAFRN
C/C=C(C)/C=C/C=C(/C)CCC=C(C)C	ZINC000085759858	571788488	/nfs/dbraw/zinc/78/84/88/571788488.db2.gz	JEKGHHPMLRLCIW-VBVMRKNNSA-N	0	0	204.357	5.202	1	0	endogenous,in-man	BKAFRN
C/C1=C\CC/C(C)=C/C(C)(C)/C=C/CC1	ZINC000085945024	290802572	/nfs/dbraw/zinc/80/25/72/290802572.db2.gz	RTIZXJCGCGLKCH-GXMLAKGOSA-N	0	0	204.357	5.035	1	0	biogenic,in-vitro	BKAFRN
CC(C)=CCC/C=C(\C)CCC=C(C)C	ZINC000085972437	290803319	/nfs/dbraw/zinc/80/33/19/290803319.db2.gz	SATOEJVASOISEY-RVDMUPIBSA-N	0	0	206.373	5.426	1	0	biogenic,in-vitro	BKAFRN
CCCC[C@@H](C)CCC[C@@H](C)CC[C@@H](C)CC	ZINC000085972888	571792514	/nfs/dbraw/zinc/79/25/14/571792514.db2.gz	UWNWTNBGIVBMAE-GVDBMIGSSA-N	0	0	240.475	6.445	1	0	endogenous,in-man	BKAFRN
CCCC[C@H](C)CCC[C@@H](C)CC[C@@H](C)CC	ZINC000085972896	571792268	/nfs/dbraw/zinc/79/22/68/571792268.db2.gz	UWNWTNBGIVBMAE-YESZJQIVSA-N	0	0	240.475	6.445	1	0	endogenous,in-man	BKAFRN
CCCC[C@@H](C)CCC[C@H](C)CC[C@@H](C)CC	ZINC000085972900	571792457	/nfs/dbraw/zinc/79/24/57/571792457.db2.gz	UWNWTNBGIVBMAE-BBWFWOEESA-N	0	0	240.475	6.445	1	0	endogenous,in-man	BKAFRN
CCCC[C@H](C)CCC[C@H](C)CC[C@@H](C)CC	ZINC000085972901	571792228	/nfs/dbraw/zinc/79/22/28/571792228.db2.gz	UWNWTNBGIVBMAE-ULQDDVLXSA-N	0	0	240.475	6.445	1	0	endogenous,in-man	BKAFRN
S=c1oc(C2CCCCC2)cc2ccccc21	ZINC000098083460	183315653	/nfs/dbraw/zinc/31/56/53/183315653.db2.gz	YXZMXYOGNNBESL-UHFFFAOYSA-N	0	0	244.359	5.210	1	0		BKAFRN
C/C1=C\C=C(\C(C)C)CC/C(C)=C/CC1	ZINC000100085028	560053523	/nfs/dbraw/zinc/05/35/23/560053523.db2.gz	WYGLLWYGQRUNLF-XZCMGSLHSA-N	0	0	204.357	5.035	1	0	biogenic,in-vitro	BKAFRN
CCC(CC)C(c1ccc(C)o1)c1ccc(C)o1	ZINC000169349158	168342262	/nfs/dbraw/zinc/34/22/62/168342262.db2.gz	HPXOBGVXWULWLA-UHFFFAOYSA-N	0	0	246.350	5.058	1	0		BKAFRN
CC(C)c1cccc(-c2ccccc2)c1C(C)C	ZINC000060248663	167629634	/nfs/dbraw/zinc/62/96/34/167629634.db2.gz	AMBHHSBRXZAGDZ-UHFFFAOYSA-N	0	0	238.374	5.600	2	0		BKAFRN
CCCCc1ccnc(CCCC)c1CCCC	ZINC000086860279	188144492	/nfs/dbraw/zinc/14/44/92/188144492.db2.gz	ICKPMZSTRBJHKU-UHFFFAOYSA-N	0	0	247.426	5.109	2	0		BKAFRN
OC1CCCCCCCCCCCCCC1	ZINC000086864381	183172590	/nfs/dbraw/zinc/17/25/90/183172590.db2.gz	FTBKLBHVTPKSRZ-UHFFFAOYSA-N	0	0	225.396	5.366	2	0		BKAFRN