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)CCC[C@@H](C)CCC[C@@H](C)CCC[C@@H](C)C(=O)[O-]	ZINC000005758652	170137600	/nfs/dbraw/zinc/13/76/00/170137600.db2.gz	PAHGJZDQXIOYTH-KZNAEPCWSA-N	-1	0	298.511	6.146	1	0	endogenous,in-man	CKAFRM
CC(C)CCC[C@@H](C)CCC[C@H](C)CCC[C@@H](C)C(=O)[O-]	ZINC000005758688	170137576	/nfs/dbraw/zinc/13/75/76/170137576.db2.gz	PAHGJZDQXIOYTH-FGTMMUONSA-N	-1	0	298.511	6.146	1	0	endogenous,in-man	CKAFRM
CC/C=C/C=C/C=C\C=C/CCCCCCCC(=O)[O-]	ZINC000005761854	560203101	/nfs/dbraw/zinc/20/31/01/560203101.db2.gz	IJTNSXPMYKJZPR-BEGPLMEHSA-N	-1	0	276.420	5.437	1	0	in-vitro	CKAFRM
CCCCCC[C@@H](C)CCCCCCCCCCC(=O)[O-]	ZINC000005782755	170139938	/nfs/dbraw/zinc/13/99/38/170139938.db2.gz	MEBDGIUGSQZVMA-GOSISDBHSA-N	-1	0	298.511	6.579	1	0	in-vitro	CKAFRM
CCCCCC[C@H](C)CCCCCCCCCCC(=O)[O-]	ZINC000005782911	170139834	/nfs/dbraw/zinc/13/98/34/170139834.db2.gz	MEBDGIUGSQZVMA-SFHVURJKSA-N	-1	0	298.511	6.579	1	0	in-vitro	CKAFRM
O=C([O-])CCSCCCCCCCCCCCCF	ZINC000005828504	170144558	/nfs/dbraw/zinc/14/45/58/170144558.db2.gz	UIDYEXGBCAVMAM-UHFFFAOYSA-N	-1	0	292.460	5.065	1	0		CKAFRM
S=C([N-]c1ccc(Cl)cc1)SC1CCCCC1	ZINC000006512112	170208263	/nfs/dbraw/zinc/20/82/63/170208263.db2.gz	AABYDMFWAYJUCV-UHFFFAOYSA-N	-1	0	285.865	5.103	1	0		CKAFRM
CC/C=C\C/C=C/C/C=C\CCCCCCCC(=O)[O-]	ZINC000013508538	560217737	/nfs/dbraw/zinc/21/77/37/560217737.db2.gz	DTOSIQBPPRVQHS-PCMISOECSA-N	-1	0	278.436	5.661	1	0	in-vitro	CKAFRM
CC/C=C\CC/C=C/C=C\CCCCCCCC(=O)[O-]	ZINC000013532205	560218821	/nfs/dbraw/zinc/21/88/21/560218821.db2.gz	WTMLOMJSCCOUNI-QQFSJYTNSA-N	-1	0	278.436	5.661	1	0	in-vitro	CKAFRM
CCCCC[C@@H]1O/C1=C\C=C/CCCCCCCC(=O)[O-]	ZINC000013538825	560219054	/nfs/dbraw/zinc/21/90/54/560219054.db2.gz	ZFVKKBAQVWQQHP-ALADIWIOSA-N	-1	0	294.435	5.221	1	0	in-vitro	CKAFRM
CCCCC1(C(=O)Nc2ccccc2[S-])CCCCC1	ZINC000013813318	170597052	/nfs/dbraw/zinc/59/70/52/170597052.db2.gz	RPOWLQXTRJDTQA-UHFFFAOYSA-N	-1	0	291.460	5.055	1	0		CKAFRM
CCCCC[C@@H](C)CCCCCCCCCC(=O)[O-]	ZINC000014591999	571714672	/nfs/dbraw/zinc/71/46/72/571714672.db2.gz	AOKNWGQMRWJWFS-MRXNPFEDSA-N	-1	0	270.457	5.798	1	0	endogenous,in-man	CKAFRM
CCCCC[C@H](C)CCCCCCCCCC(=O)[O-]	ZINC000014592000	571714742	/nfs/dbraw/zinc/71/47/42/571714742.db2.gz	AOKNWGQMRWJWFS-INIZCTEOSA-N	-1	0	270.457	5.798	1	0	endogenous,in-man	CKAFRM
CC(C)CCCCCC/C=C/CCCCC(=O)[O-]	ZINC000014592788	571714709	/nfs/dbraw/zinc/71/47/09/571714709.db2.gz	PLEXOMFVUZNSTQ-GQCTYLIASA-N	-1	0	254.414	5.184	1	0	endogenous,in-man	CKAFRM
CC/C=C\C/C=C\CC/C=C/CC/C=C/CCC(=O)[O-]	ZINC000014616262	571715867	/nfs/dbraw/zinc/71/58/67/571715867.db2.gz	SIVLURJESSFFDP-FLVFHSTKSA-N	-1	0	276.420	5.437	1	0	endogenous,in-man	CKAFRM
CCCC/C=C/C=C\C=C\CCCCCCCC(=O)[O-]	ZINC000014616295	571716395	/nfs/dbraw/zinc/71/63/95/571716395.db2.gz	CUXYLFPMQMFGPL-MRZTUZPCSA-N	-1	0	278.436	5.661	1	0	endogenous,in-man	CKAFRM
CCCCC[C@H]1O[C@@H]1C/C=C/CCCCCCCC(=O)[O-]	ZINC000017315036	560090982	/nfs/dbraw/zinc/09/09/82/560090982.db2.gz	CCPPLLJZDQAOHD-ZJJGVRJWSA-N	-1	0	296.451	5.096	1	0	biogenic,in-vitro	CKAFRM
CC(C)=CCC/C=C/CC/C(C)=C/CC/C(C)=C/C(=O)[O-]	ZINC000038683589	174152068	/nfs/dbraw/zinc/15/20/68/174152068.db2.gz	JYTUCTYDVKVRFD-UXTHVSFZSA-N	-1	0	290.447	5.827	1	0		CKAFRM
CCC1=C(C)/C(=C/c2ccc(C(=O)[O-])cc2)CCC1(C)C	ZINC000040846323	174419244	/nfs/dbraw/zinc/41/92/44/174419244.db2.gz	ZCBZETDCCXLBGJ-FOWTUZBSSA-N	-1	0	284.399	5.315	1	0		CKAFRM
CCC(C[C@@H](C)C(=O)[O-])=C(c1ccccc1)c1ccccc1	ZINC000045189444	175326191	/nfs/dbraw/zinc/32/61/91/175326191.db2.gz	FHJCCQOFMHARRW-OAHLLOKOSA-N	-1	0	294.394	5.009	1	0		CKAFRM
CCC(C[C@H](C)C(=O)[O-])=C(c1ccccc1)c1ccccc1	ZINC000045189446	175326085	/nfs/dbraw/zinc/32/60/85/175326085.db2.gz	FHJCCQOFMHARRW-HNNXBMFYSA-N	-1	0	294.394	5.009	1	0		CKAFRM
CC1=C(/C=C/c2ccc(/C=C/C(=O)[O-])cc2)C(C)(C)CCC1	ZINC000045288036	175353984	/nfs/dbraw/zinc/35/39/84/175353984.db2.gz	ONIZREAONFMGNP-DCIPZJNNSA-N	-1	0	296.410	5.324	1	0		CKAFRM
Oc1cccc(-c2ccc(-c3ccc([S-])cc3)s2)c1	ZINC000045321313	175359343	/nfs/dbraw/zinc/35/93/43/175359343.db2.gz	DGSQMNORWUWDKL-UHFFFAOYSA-N	-1	0	284.405	5.076	1	0		CKAFRM
CC(C)=CCC/C(C)=C/CC/C(C)=C/C/C=C/C(=O)[O-]	ZINC000045358941	175362422	/nfs/dbraw/zinc/36/24/22/175362422.db2.gz	ZJRFQMPVXYRRLE-FMIBOSOXSA-N	-1	0	276.420	5.437	1	0		CKAFRM
CC(C)=CCC/C(C)=C/CC/C(C)=C/CCCC(=O)[O-]	ZINC000045366076	175362395	/nfs/dbraw/zinc/36/23/95/175362395.db2.gz	PEFRSINZRLUBKR-QKXOVSGLSA-N	-1	0	278.436	5.661	1	0		CKAFRM
C/C=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/C(=O)[O-]	ZINC000058541307	518518893	/nfs/dbraw/zinc/51/88/93/518518893.db2.gz	IGRHZWMXIAQHNL-RMBLDVLJSA-N	-1	0	290.447	5.827	1	0		CKAFRM
CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C=C/C(=O)[O-]	ZINC000058568753	519402941	/nfs/dbraw/zinc/40/29/41/519402941.db2.gz	GLPWLKHIIUEHTR-IHKMYNNBSA-N	-1	0	290.447	5.827	1	0		CKAFRM
CC[C@H](O)CCCCC/C=C\CCCCCCCC(=O)[O-]	ZINC000064540345	522783260	/nfs/dbraw/zinc/78/32/60/522783260.db2.gz	UTLBSLGWELAEAY-IVZVJUQRSA-N	-1	0	298.467	5.079	1	0		CKAFRM
O=C([O-])CC/C=C/CCCCCCCC[C@@H]1C=CCC1	ZINC000070455096	290884300	/nfs/dbraw/zinc/88/43/00/290884300.db2.gz	LZZANLYIVGPJEZ-DBWMJRBXSA-N	-1	0	278.436	5.494	1	0	biogenic,in-vitro	CKAFRM
CC(C)=CCC/C(C)=C/C/C(=C/c1ccccc1)C(=O)[O-]	ZINC000070455168	560047458	/nfs/dbraw/zinc/04/74/58/560047458.db2.gz	PFGWXVXLHNUCMV-VJNRYYPDSA-N	-1	0	284.399	5.237	1	0	biogenic,in-vitro	CKAFRM
CC(/C=C/C=C(/C)C1=C[C@H](C)CC[C@H]1C(C)C)=C\C(=O)[O-]	ZINC000071317561	176122023	/nfs/dbraw/zinc/12/20/23/176122023.db2.gz	CJBRTDXJWUGFOW-XVZFVHJYSA-N	-1	0	288.431	5.148	1	0		CKAFRM
CC(/C=C/C=C(C)\C=C\C1=CC[C@H]2C[C@@H]1C2(C)C)=C\C(=O)[O-]	ZINC000071318694	176121882	/nfs/dbraw/zinc/12/18/82/176121882.db2.gz	JSBIITUOLHAMQY-LQPLLVJUSA-N	-1	0	298.426	5.068	1	0		CKAFRM
CCCCC[C@H]1C=C[C@H](CCCCCCC(=O)[O-])CC1	ZINC000085493003	560075029	/nfs/dbraw/zinc/07/50/29/560075029.db2.gz	WQKPSJAENANRCM-IRXDYDNUSA-N	-1	0	280.452	5.574	1	0	biogenic,in-vitro	CKAFRM
O=C([O-])CCCCCCC/C=C\CCC1CCCCC1	ZINC000085506105	290884314	/nfs/dbraw/zinc/88/43/14/290884314.db2.gz	NCVYUGKAUDPBAW-XQRVVYSFSA-N	-1	0	280.452	5.718	1	0	biogenic,in-vitro	CKAFRM
CC/C=C\CCCCCCCCCCCCC(=O)[O-]	ZINC000095556522	185009316	/nfs/dbraw/zinc/00/93/16/185009316.db2.gz	WKBMRZYEXBIXCA-ARJAWSKDSA-N	-1	0	268.441	5.718	1	0		CKAFRM
CC/C=C\CCCCCCCCCCCCCCC(=O)[O-]	ZINC000095557229	185009509	/nfs/dbraw/zinc/00/95/09/185009509.db2.gz	WPTRWTPRXZSACO-ARJAWSKDSA-N	-1	0	296.495	6.499	1	0		CKAFRM
CC/C=C\CCCC=CC(=O)CCCCCCCC(=O)[O-]	ZINC000100363055	574417268	/nfs/dbraw/zinc/41/72/68/574417268.db2.gz	YUPHIKSLGBATJK-OBKPXJAFSA-N	-1	0	294.435	5.546	1	0	endogenous,in-man	CKAFRM
CC/C=C\C/C=C\C/C=C/C/C=C\CCCCC(=O)[O-]	ZINC000169290547	188655959	/nfs/dbraw/zinc/65/59/59/188655959.db2.gz	JIWBIWFOSCKQMA-KMDMWTCTSA-N	-1	0	276.420	5.437	1	0		CKAFRM
CC(C)CCCCCCCCc1cccc(O)c1C(=O)[O-]	ZINC000014489739	560221801	/nfs/dbraw/zinc/22/18/01/560221801.db2.gz	GTFMLRZLGJZNBV-UHFFFAOYSA-N	-1	0	292.419	5.020	3	0	in-vitro	CKAFRM