smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=CCCCCCCCCC/C=C\c1ccco1	ZINC000014771609	571723409	/nfs/dbraw/zinc/72/34/09/571723409.db2.gz	MGNABOKOTWYILU-OWBHPGMISA-N	0	0	246.394	5.990	1	30	endogenous,in-man	BKEFRN
CO/N=C/C=C(\C)CC/C=C(\C)CCC=C(C)C	ZINC000029126340	173492490	/nfs/dbraw/zinc/49/24/90/173492490.db2.gz	PBXBZXHATJKXMN-ALPANZDKSA-N	0	0	249.398	5.038	1	30		BKEFRN
C=C(C)[C@@H]1CC[C@@]2(C)CCC(=C)C(C)=C2C1	ZINC000059586515	560082754	/nfs/dbraw/zinc/08/27/54/560082754.db2.gz	QLLSXMKDBKMBDT-GDBMZVCRSA-N	0	0	216.368	5.035	1	30	biogenic,in-vitro	BKEFRN
C=C1CC[C@@]2(C)[C@]3(C)CC[C@H](C(C)C)[C@@]2(C)[C@H]13	ZINC000059587054	560082836	/nfs/dbraw/zinc/08/28/36/560082836.db2.gz	KFGDYDIFTQBZCC-MTSZKFMLSA-N	0	0	232.411	5.051	1	30	biogenic,in-vitro	BKEFRN
CCCCCCCC[C@@H](CC)c1ccccc1	ZINC000059635479	560082401	/nfs/dbraw/zinc/08/24/01/560082401.db2.gz	NVHBFHMWJJMQTG-MRXNPFEDSA-N	0	0	232.411	5.931	1	30	biogenic,in-vitro	BKEFRN
CCCCCCCC/C=C/CCCCCCO	ZINC000059724976	259329236	/nfs/dbraw/zinc/32/92/36/259329236.db2.gz	KKGMASVOOYPIGJ-MDZDMXLPSA-N	0	0	240.431	5.236	1	30		BKEFRN
C=C1/C=C\C(C)(C)CCC/C(C)=C/CC1	ZINC000059778342	187911741	/nfs/dbraw/zinc/91/17/41/187911741.db2.gz	FNXUOGPQAOCFKU-GNEBIQABSA-N	0	0	204.357	5.035	1	30	in-vitro	BKEFRN
C=C1/C=C/C(C)(C)CCC/C(C)=C\CC1	ZINC000059778346	560082216	/nfs/dbraw/zinc/08/22/16/560082216.db2.gz	FNXUOGPQAOCFKU-RYKBTYGJSA-N	0	0	204.357	5.035	1	30	biogenic,in-vitro	BKEFRN
C=C1C/C=C\C(C)(C)C/C=C(\C)CCC1	ZINC000064624844	188050866	/nfs/dbraw/zinc/05/08/66/188050866.db2.gz	HAVYZKHVTLAPDZ-HNPFEXMKSA-N	0	0	204.357	5.035	1	30	in-vitro	BKEFRN
C=C1CC[C@@H]2[C@H](C[C@H]3[C@H]1CCC3(C)C)C2(C)C	ZINC000069482346	560078357	/nfs/dbraw/zinc/07/83/57/560078357.db2.gz	XMYHQPZIMKTMOJ-XGUBFFRZSA-N	0	0	232.411	5.051	1	30	biogenic,in-vitro	BKEFRN
C=C(C)[C@@H]1CC[C@@]2(C)[C@@H](C)CC[C@H](C)[C@]2(C)C1	ZINC000069482556	290802926	/nfs/dbraw/zinc/80/29/26/290802926.db2.gz	KSOSMHISIYLCFS-KSWRQPAISA-N	0	0	234.427	5.441	1	30	biogenic,in-vitro	BKEFRN
C=C1C=C[C@@H]([C@@H](C)[C@@H](C)CC=C(C)C)CC1	ZINC000070450805	560049215	/nfs/dbraw/zinc/04/92/15/560049215.db2.gz	FBMFZFQVVWUGRD-HRCADAONSA-N	0	0	218.384	5.137	1	30	biogenic,in-vitro	BKEFRN
C=C(C)[C@H]1CC[C@]2(C)CCC=C(C)[C@@]2(C)C1	ZINC000070450857	560049205	/nfs/dbraw/zinc/04/92/05/560049205.db2.gz	IGHNHLWYXDJPIB-HRCADAONSA-N	0	0	218.384	5.115	1	30	biogenic,in-vitro	BKEFRN
CCCCCCCC[C@H](CC)C1CCCCC1	ZINC000070454731	290804303	/nfs/dbraw/zinc/80/43/03/290804303.db2.gz	FXZJDDWIBPIHOM-INIZCTEOSA-N	0	0	238.459	6.344	1	30	biogenic,in-vitro	BKEFRN
CCCCCCCC[C@H](C)C1CCCCC1	ZINC000070454732	290804301	/nfs/dbraw/zinc/80/43/01/290804301.db2.gz	XMDXQLIFVIVRKI-HNNXBMFYSA-N	0	0	224.432	5.953	1	30	biogenic,in-vitro	BKEFRN
CCC/C=C/C#CCCCCCCCCC	ZINC000070455569	560047138	/nfs/dbraw/zinc/04/71/38/560047138.db2.gz	XZDCEQPWFZIZPQ-VQHVLOKHSA-N	0	0	220.400	5.487	1	30	biogenic,in-vitro	BKEFRN
CCCCCCC[C@@H](CCC)CCCCC	ZINC000079129316	571781176	/nfs/dbraw/zinc/78/11/76/571781176.db2.gz	HMKBVDFFYNUAKM-INIZCTEOSA-N	0	0	226.448	6.344	1	30	endogenous,in-man	BKEFRN
CCCCCCC[C@H](CCC)CCCCC	ZINC000079129320	168658205	/nfs/dbraw/zinc/65/82/05/168658205.db2.gz	HMKBVDFFYNUAKM-MRXNPFEDSA-N	0	0	226.448	6.344	1	30	endogenous,in-man	BKEFRN
C=C1C/C=C\C(C)(C)C/C=C(/C)CCC1	ZINC000081978259	571781237	/nfs/dbraw/zinc/78/12/37/571781237.db2.gz	HAVYZKHVTLAPDZ-PRUKLFJYSA-N	0	0	204.357	5.035	1	30	endogenous,in-man	BKEFRN
C#C/C(=C\CCCCCC)c1cccc(Cl)c1	ZINC000084672355	166109471	/nfs/dbraw/zinc/10/94/71/166109471.db2.gz	MRTOBEQYTXFJDO-GXDHUFHOSA-N	0	0	246.781	5.327	1	30		BKEFRN
C=C(C)CCC[C@@H](C)C1=CCC(C)=CC1	ZINC000085491763	571781755	/nfs/dbraw/zinc/78/17/55/571781755.db2.gz	XISBISVWIJDEQH-CQSZACIVSA-N	0	0	204.357	5.035	1	30	endogenous,in-man	BKEFRN
CCCCCCCCCCCCOC(C)C	ZINC000085504519	188142854	/nfs/dbraw/zinc/14/28/54/188142854.db2.gz	JYJHLFUHTHWNSJ-UHFFFAOYSA-N	0	0	228.420	5.332	1	30	biogenic,in-vitro	BKEFRN
C=C[C@]1(C)CCC(=C(C)C)C[C@@]1(C)C(=C)C	ZINC000085504807	560074787	/nfs/dbraw/zinc/07/47/87/560074787.db2.gz	DUCIYIHTTCVNJA-CVEARBPZSA-N	0	0	218.384	5.281	1	30	biogenic,in-vitro	BKEFRN
CCCCCCC[C@H](CC)c1ccccc1	ZINC000085531484	290804309	/nfs/dbraw/zinc/80/43/09/290804309.db2.gz	PYVIFMPVFLOTLN-HNNXBMFYSA-N	0	0	218.384	5.541	1	30	biogenic,in-vitro	BKEFRN
CCCCCCCCCC[C@H](C)c1ccccc1	ZINC000085531485	560073253	/nfs/dbraw/zinc/07/32/53/560073253.db2.gz	VRPRIAVYSREHAN-KRWDZBQOSA-N	0	0	246.438	6.321	1	30	biogenic,in-vitro	BKEFRN
CCCCCCCC[C@H](CCC)c1ccccc1	ZINC000085531488	168654687	/nfs/dbraw/zinc/65/46/87/168654687.db2.gz	RHDHXBLZBVAPTL-KRWDZBQOSA-N	0	0	246.438	6.321	1	30	biogenic,in-vitro	BKEFRN
CCCCCCC[C@@H](CCC)c1ccccc1	ZINC000085531507	290804330	/nfs/dbraw/zinc/80/43/30/290804330.db2.gz	NSQAXMRLBNXEHK-MRXNPFEDSA-N	0	0	232.411	5.931	1	30	biogenic,in-vitro	BKEFRN
C=C(C)[C@@H]1CCC2=CCCC(C)(C)[C@]2(C)C1	ZINC000085541544	560071579	/nfs/dbraw/zinc/07/15/79/560071579.db2.gz	WCTNXGFHEZQHDR-CZUORRHYSA-N	0	0	218.384	5.115	1	30	biogenic,in-vitro	BKEFRN
C=C1CC[C@@H]2[C@H]([C@@H]3C[C@@H](C)C[C@H]13)[C@]2(C)CCC	ZINC000085545064	290803316	/nfs/dbraw/zinc/80/33/16/290803316.db2.gz	MKFRUHYCKUNEIH-LKPMVJSRSA-N	0	0	232.411	5.051	1	30	biogenic,in-vitro	BKEFRN
C=C(C)[C@H]1C/C=C(/C)CC/C=C(\C)CC1	ZINC000085598906	560062965	/nfs/dbraw/zinc/06/29/65/560062965.db2.gz	XMRKUJJDDKYUHV-SOMPWSNVSA-N	0	0	204.357	5.035	1	30	biogenic,in-vitro	BKEFRN
C=CCCCCC/C=C\C/C=C\CCCCC	ZINC000085599350	187243409	/nfs/dbraw/zinc/24/34/09/187243409.db2.gz	XFZBIINLEPBMDY-NERFDCTISA-N	0	0	234.427	6.206	1	30		BKEFRN
C=C[C@H](C)CC[C@@H](CCC(=C)C)C(=C)C	ZINC000085643610	560067408	/nfs/dbraw/zinc/06/74/08/560067408.db2.gz	QLJDIDJHRGOWHJ-LSDHHAIUSA-N	0	0	206.373	5.137	1	30	biogenic,in-vitro	BKEFRN
C=C[C@@]1(C)CCC(=C(C)C)CC1=C(C)C	ZINC000085646416	560067032	/nfs/dbraw/zinc/06/70/32/560067032.db2.gz	DGWBMZHTXBUWNH-HNNXBMFYSA-N	0	0	204.357	5.035	1	30	biogenic,in-vitro	BKEFRN
C=C1CC/C=C(\C)CC[C@]2(C)[C@@H]1CC2(C)C	ZINC000085648171	560067030	/nfs/dbraw/zinc/06/70/30/560067030.db2.gz	CGHCXAYRRQKBQT-QXIXBFCJSA-N	0	0	218.384	5.115	1	30	biogenic,in-vitro	BKEFRN
CCCCCCCC/C=C/CCCCCC=O	ZINC000085836506	256775499	/nfs/dbraw/zinc/77/54/99/256775499.db2.gz	BLJFSPZWKBTYHR-MDZDMXLPSA-N	0	0	238.415	5.443	1	30		BKEFRN
C=C(C)CCC[C@H](C)C1=CCC(C)=CC1	ZINC000085851429	571790161	/nfs/dbraw/zinc/79/01/61/571790161.db2.gz	XISBISVWIJDEQH-AWEZNQCLSA-N	0	0	204.357	5.035	1	30	endogenous,in-man	BKEFRN
CCCCCCCCCCC/C=C/CC=O	ZINC000086040403	571794314	/nfs/dbraw/zinc/79/43/14/571794314.db2.gz	CLUQHDODXPPERO-OUKQBFOZSA-N	0	0	224.388	5.053	1	30	endogenous,in-man	BKEFRN
C=C(C)[C@@H]1C/C=C(\C)CC/C=C(/C)CC1	ZINC000090375169	560045736	/nfs/dbraw/zinc/04/57/36/560045736.db2.gz	XMRKUJJDDKYUHV-GNVJXCABSA-N	0	0	204.357	5.035	1	30	biogenic,in-vitro	BKEFRN
CC/C=C/CCCCCCCCCCCCC	ZINC000095911894	560057687	/nfs/dbraw/zinc/05/76/87/560057687.db2.gz	YICJXYRVTBRLKS-FNORWQNLSA-N	0	0	238.459	6.654	1	30	biogenic,in-vitro	BKEFRN
C=C(C)[C@@H]1/C=C(\C)CC/C=C(\C)CCC1	ZINC000095912432	290802921	/nfs/dbraw/zinc/80/29/21/290802921.db2.gz	YSOYXLPARMWZFY-MXDWAHGPSA-N	0	0	204.357	5.035	1	30	biogenic,in-vitro	BKEFRN
CCCCCCCC[C@@H](CCC)c1ccccc1	ZINC000095914310	560055945	/nfs/dbraw/zinc/05/59/45/560055945.db2.gz	RHDHXBLZBVAPTL-QGZVFWFLSA-N	0	0	246.438	6.321	1	30	biogenic,in-vitro	BKEFRN
C=C1CCC[C@]2(C)CCC(=C(C)C)C[C@]12C	ZINC000095918612	560055025	/nfs/dbraw/zinc/05/50/25/560055025.db2.gz	CBSRFDQDBGGSEA-HZPDHXFCSA-N	0	0	218.384	5.259	1	30	biogenic,in-vitro	BKEFRN
CCC/C=C/CCCCCCCCCCCC	ZINC000110174788	187806128	/nfs/dbraw/zinc/80/61/28/187806128.db2.gz	BNGUZDGWNATSIB-VQHVLOKHSA-N	0	0	238.459	6.654	1	30		BKEFRN
C=C(C1CCCCC1)C1CCC(CCC)CC1	ZINC000055167499	353349202	/nfs/dbraw/zinc/34/92/02/353349202.db2.gz	ZSDQBZGXZUMYFW-UHFFFAOYSA-N	0	0	234.427	5.729	2	30		BKEFRN
CCCCCCCCCCCCCCCCO	ZINC000100494698	183317081	/nfs/dbraw/zinc/31/70/81/183317081.db2.gz	KZRFCCRXAKJKOR-UHFFFAOYSA-N	0	0	241.439	5.274	2	30		BKEFRN
C#CCCCCCCCCCCCc1ccco1	ZINC000008830705	571692736	/nfs/dbraw/zinc/69/27/36/571692736.db2.gz	ONYOTXAYIZRIPJ-UHFFFAOYSA-N	0	0	246.394	5.356	3	30	endogenous,in-man	BKEFRN