smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCCCC(=O)/C=C\C=C\CCCCCCCC(=O)[O-]	ZINC000013515840	170557276	/nfs/dbraw/zinc/55/72/76/170557276.db2.gz	JHXAZBBVQSRKJR-QNQPVOBRSA-N	-1	0	294.435	5.064	1	30		CKEFRM
C=CCCCC[C@@H](C)CCCCCC#CCCCC(=O)[O-]	ZINC000014592576	170638370	/nfs/dbraw/zinc/63/83/70/170638370.db2.gz	QDFJJLKEXYAXFA-GOSISDBHSA-N	-1	0	292.463	5.578	1	30		CKEFRM
CCCC/C=C/C=C\C#CCCCCCCCC(=O)[O-]	ZINC000014616248	571715784	/nfs/dbraw/zinc/71/57/84/571715784.db2.gz	ONYHYSLZNLJFHX-MDAAKZFYSA-N	-1	0	276.420	5.108	1	30	endogenous,in-man	CKEFRM
C#CCCCCCCCC1=C(CCCCCCC(=O)[O-])C1	ZINC000014715605	560224856	/nfs/dbraw/zinc/22/48/56/560224856.db2.gz	CUWBJXSLCSBCIA-UHFFFAOYSA-N	-1	0	290.447	5.476	1	30	in-vitro	CKEFRM
CC(=Nc1ccc(C)cc1)c1sc2ccccc2c1[O-]	ZINC000020842937	171276063	/nfs/dbraw/zinc/27/60/63/171276063.db2.gz	IMQYOORYIQDZTK-LDADJPATSA-N	-1	0	281.380	5.056	1	30		CKEFRM
CCCCCCCCC#C/C=C/CCCCCC(=O)[O-]	ZINC000028541393	171563713	/nfs/dbraw/zinc/56/37/13/171563713.db2.gz	BWSIKEZDJMZITO-VAWYXSNFSA-N	-1	0	278.436	5.332	1	30	in-vivo	CKEFRM
CCCC/C=C/C#CCCCCCCCCCC(=O)[O-]	ZINC000034572901	171844882	/nfs/dbraw/zinc/84/48/82/171844882.db2.gz	WHEVOQUCZMDNBG-AATRIKPKSA-N	-1	0	278.436	5.332	1	30		CKEFRM
CCCCCCCC[C@@H]1O[C@@H]1C/C=C\CCCCC(=O)[O-]	ZINC000043366165	175027209	/nfs/dbraw/zinc/02/72/09/175027209.db2.gz	MTWBSHWVWQGLIP-BEBBCNLGSA-N	-1	0	296.451	5.096	1	30		CKEFRM
CCCCCCCC[C@H]1O[C@H]1C/C=C\CCCCC(=O)[O-]	ZINC000043888696	175117653	/nfs/dbraw/zinc/11/76/53/175117653.db2.gz	MTWBSHWVWQGLIP-GJGKEFFFSA-N	-1	0	296.451	5.096	1	30		CKEFRM
CCCCCCCCCCCC(=S)SCC(=O)[O-]	ZINC000044280426	175158924	/nfs/dbraw/zinc/15/89/24/175158924.db2.gz	QIJVJNZUTNQBOL-UHFFFAOYSA-N	-1	0	290.494	5.053	1	30		CKEFRM
CCCCCCCC/C=C/C(=O)CCCCCCC(=O)[O-]	ZINC000044404611	175171550	/nfs/dbraw/zinc/17/15/50/175171550.db2.gz	PHIXKQDGLSTYQU-SDNWHVSQSA-N	-1	0	296.451	5.288	1	30		CKEFRM
CCCCCCCCC#C/C=C\CCCCCC(=O)[O-]	ZINC000049867793	560083509	/nfs/dbraw/zinc/08/35/09/560083509.db2.gz	BWSIKEZDJMZITO-QXMHVHEDSA-N	-1	0	278.436	5.332	1	30	biogenic,in-vivo	CKEFRM
CCCCCCCCC/C=C/CCCCC(=O)[O-]	ZINC000059518949	571770994	/nfs/dbraw/zinc/77/09/94/571770994.db2.gz	NNNVXFKZMRGJPM-ZHACJKMWSA-N	-1	0	254.414	5.328	1	30	endogenous,in-man	CKEFRM
CCCCCCCCCC(=O)CCCCCCCC(=O)[O-]	ZINC000060232542	571771623	/nfs/dbraw/zinc/77/16/23/571771623.db2.gz	KNYQSFOUGYMRDE-UHFFFAOYSA-N	-1	0	298.467	5.512	1	30	endogenous,in-man	CKEFRM
CCCCCCC/C=C/[C@H](O)CCCCCCCC(=O)[O-]	ZINC000070450973	560049108	/nfs/dbraw/zinc/04/91/08/560049108.db2.gz	UYTAXAWTQDKVBD-WKOYGUFESA-N	-1	0	298.467	5.079	1	30	biogenic,in-vitro	CKEFRM
CCCCCCCCCCC/C=C\CCC(=O)[O-]	ZINC000070455095	290883265	/nfs/dbraw/zinc/88/32/65/290883265.db2.gz	OXGMPGKZDZPDIF-SEYXRHQNSA-N	-1	0	254.414	5.328	1	30	biogenic,in-vitro	CKEFRM
CCCCCCCCCCC[C@@H]1C[C@H]1CCCCC(=O)[O-]	ZINC000070455440	290883408	/nfs/dbraw/zinc/88/34/08/290883408.db2.gz	HONOYUAERSMCAP-QZTJIDSGSA-N	-1	0	296.495	6.188	1	30	biogenic,in-vitro	CKEFRM
CCCCCCCC/C=C/[C@H](O)CCCCCCC(=O)[O-]	ZINC000070457414	560047020	/nfs/dbraw/zinc/04/70/20/560047020.db2.gz	JEXIZLHRWZNJIX-WKOYGUFESA-N	-1	0	298.467	5.079	1	30	biogenic,in-vitro	CKEFRM
CCCCCCCC[C@H](O)/C=C/CCCCCCC(=O)[O-]	ZINC000070457495	560047018	/nfs/dbraw/zinc/04/70/18/560047018.db2.gz	RXBFKZNLXJKTLQ-VMEIHUARSA-N	-1	0	298.467	5.079	1	30	biogenic,in-vitro	CKEFRM
CCCCCCC[C@H](O)/C=C\CCCCCCCC(=O)[O-]	ZINC000070457507	560047030	/nfs/dbraw/zinc/04/70/30/560047030.db2.gz	MHBZYZVYSHCDLI-KSVUCXBSSA-N	-1	0	298.467	5.079	1	30	biogenic,in-vitro	CKEFRM
CCCCCCCCCCC(=O)CCCCCCC(=O)[O-]	ZINC000073333375	176467560	/nfs/dbraw/zinc/46/75/60/176467560.db2.gz	OTXWABSAIDKSMU-UHFFFAOYSA-N	-1	0	298.467	5.512	1	30		CKEFRM
CCCCCCCCC#CCCCCCC[C@H](F)C(=O)[O-]	ZINC000073370135	176469146	/nfs/dbraw/zinc/46/91/46/176469146.db2.gz	VAELZRLESYJUQL-KRWDZBQOSA-N	-1	0	298.442	5.504	1	30		CKEFRM
CCCCCCCCCC[C@@H](C)CCCCCCC(=O)[O-]	ZINC000073370633	176469378	/nfs/dbraw/zinc/46/93/78/176469378.db2.gz	DSIUZBLIPJBAMZ-GOSISDBHSA-N	-1	0	298.511	6.579	1	30		CKEFRM
CCCCCCCCCCCCC/C=C/CCC(=O)[O-]	ZINC000078684432	177371536	/nfs/dbraw/zinc/37/15/36/177371536.db2.gz	OBNDIDKDLXSSCB-CCEZHUSRSA-N	-1	0	282.468	6.109	1	30		CKEFRM
CCCCCC/C=C\C/C=C\CCCCCCCC(=O)[O-]	ZINC000085479104	290882779	/nfs/dbraw/zinc/88/27/79/290882779.db2.gz	BFXHARLBAGKNRH-NQLNTKRDSA-N	-1	0	294.479	6.275	1	30	biogenic,in-vitro	CKEFRM
CCCCCC/C=C\C[C@H](CC)CCCCCC(=O)[O-]	ZINC000085506161	290882790	/nfs/dbraw/zinc/88/27/90/290882790.db2.gz	KEGWDBDWBFDZCS-CCCPALQASA-N	-1	0	282.468	5.964	1	30	biogenic,in-vitro	CKEFRM
CCCCCCCCCCCC1(/C=C/C(=O)[O-])CCCC1	ZINC000085510678	560073998	/nfs/dbraw/zinc/07/39/98/560073998.db2.gz	IIYOJYAKTOOLRP-GHRIWEEISA-N	-1	0	294.479	6.109	1	30	biogenic,in-vitro	CKEFRM
CCCCCCCCCCCCC[C@H](C)CCC(=O)[O-]	ZINC000085530413	290883405	/nfs/dbraw/zinc/88/34/05/290883405.db2.gz	YJSYQGRKJYFNIE-KRWDZBQOSA-N	-1	0	284.484	6.188	1	30	biogenic,in-vitro	CKEFRM
CCCCCCCCCC/C=C/CCCC(=O)[O-]	ZINC000085836524	571789550	/nfs/dbraw/zinc/78/95/50/571789550.db2.gz	KVXIRQZWCOAYRD-VAWYXSNFSA-N	-1	0	254.414	5.328	1	30	endogenous,in-man	CKEFRM
CCCCCCCCCC/C=C/CCCCCC(=O)[O-]	ZINC000086020542	179218147	/nfs/dbraw/zinc/21/81/47/179218147.db2.gz	RVUCYJXFCAVHNC-VAWYXSNFSA-N	-1	0	282.468	6.109	1	30		CKEFRM
CCCCCCCCC/C=C/CCCCCCC(=O)[O-]	ZINC000086020547	179218194	/nfs/dbraw/zinc/21/81/94/179218194.db2.gz	WRIDQFICGBMAFQ-ZHACJKMWSA-N	-1	0	282.468	6.109	1	30		CKEFRM
CCCCCCCCCCCCC#CCCCC(=O)[O-]	ZINC000086020661	571793917	/nfs/dbraw/zinc/79/39/17/571793917.db2.gz	GDBJCCBRRCYCEG-UHFFFAOYSA-N	-1	0	280.452	5.556	1	30	endogenous,in-man	CKEFRM
CCCCCCCCCCCCCC(=O)CCCC(=O)[O-]	ZINC000086037936	571794300	/nfs/dbraw/zinc/79/43/00/571794300.db2.gz	UIROXHXJKJUFSV-UHFFFAOYSA-N	-1	0	298.467	5.512	1	30	endogenous,in-man	CKEFRM
CCCCCCCC(=O)CCCCCCCCCC(=O)[O-]	ZINC000086037995	571794346	/nfs/dbraw/zinc/79/43/46/571794346.db2.gz	ZWXGGJPQIPPKPP-UHFFFAOYSA-N	-1	0	298.467	5.512	1	30	endogenous,in-man	CKEFRM
CCCCCCCCCCCCCCCC#CC(=O)[O-]	ZINC000095574189	185009942	/nfs/dbraw/zinc/00/99/42/185009942.db2.gz	WEAGGGHXTMXZQA-UHFFFAOYSA-N	-1	0	280.452	5.556	1	30		CKEFRM