smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCCCCC[C@@]1(C)C/C(=N/[O-])c2ccc(O)cc2O1	ZINC000044247206	175156383	/nfs/dbraw/zinc/15/63/83/175156383.db2.gz	QGIDVCWTIKGSJW-LXMVLSBBSA-N	-1	0	291.391	4.472	1	30		CIEFRM
C=C1CC[C@@H]2[C@](C)(CCC[C@]2(C)C(=O)[O-])[C@H]1CCC(C)=O	ZINC000039025249	290874678	/nfs/dbraw/zinc/87/46/78/290874678.db2.gz	WJXLWXJYJCBHME-IDCNUPLLSA-N	-1	0	292.419	4.219	1	30	biogenic,in-vitro	CIEFRM
[O-]c1c(C=NCc2ccccc2)sc2ccccc12	ZINC000006557589	170213167	/nfs/dbraw/zinc/21/31/67/170213167.db2.gz	XIVNKPOLXNAXIS-GZTJUZNOSA-N	-1	0	267.353	4.226	1	30		CIEFRM
Cc1cccc(/C=C/C(=O)c2cc(Cl)ccc2[O-])c1	ZINC000039082104	174163267	/nfs/dbraw/zinc/16/32/67/174163267.db2.gz	SLLGOZGTYXBIDT-FNORWQNLSA-N	-1	0	272.731	4.250	1	30		CIEFRM
Cc1cc(Cl)ccc1C#Cc1ccc(CCC(=O)[O-])cc1	ZINC000095596594	185015003	/nfs/dbraw/zinc/01/50/03/185015003.db2.gz	OKUIEMYUMHZGAO-UHFFFAOYSA-N	-1	0	298.769	4.065	1	30		CIEFRM
CCCCCCCCCOCCCCCC(=O)[O-]	ZINC000096907385	185127475	/nfs/dbraw/zinc/12/74/75/185127475.db2.gz	DDTKCMCZGKXLJJ-UHFFFAOYSA-N	-1	0	258.402	4.399	1	30		CIEFRM
CCCCC#CC#CC#CCCCCCCCC(=O)[O-]	ZINC000014616321	560223252	/nfs/dbraw/zinc/22/32/52/560223252.db2.gz	CBWJECXEMSFLLW-UHFFFAOYSA-N	-1	0	272.388	4.002	1	30	biogenic,in-vitro	CIEFRM
Cc1cc(C2CCCCC2)c(C)cc1C(=O)/C=C/C(=O)[O-]	ZINC000072177351	176334338	/nfs/dbraw/zinc/33/43/38/176334338.db2.gz	RDUKHILTNPRCAS-CMDGGOBGSA-N	-1	0	286.371	4.175	1	30		CIEFRM
CCCCCCC[C@]1(C)C/C(=N/[O-])c2ccc(O)cc2O1	ZINC000044247204	175156347	/nfs/dbraw/zinc/15/63/47/175156347.db2.gz	QGIDVCWTIKGSJW-KCGBVJQISA-N	-1	0	291.391	4.472	1	30		CIEFRM
CC(C)(C)c1ccc(/C=N/c2ccc(C(=O)[O-])cc2)cc1	ZINC000045260300	175337055	/nfs/dbraw/zinc/33/70/55/175337055.db2.gz	CZLMLVYXQCJOGH-XDHOZWIPSA-N	-1	0	281.355	4.433	1	30	in-vivo	CIEFRM
CC1=C[C@](C)(c2ccccc2[S-])[C@H](S)C(C)=C1	ZINC000086861416	327159156	/nfs/dbraw/zinc/15/91/56/327159156.db2.gz	LZJWGZPNWYCRRI-HUUCEWRRSA-N	-1	0	262.443	4.438	2	30		CIEFRM
CC(C)(C)c1ccc(-c2c(C#N)csc2C(=O)[O-])cc1	ZINC000040766969	174398366	/nfs/dbraw/zinc/39/83/66/174398366.db2.gz	LXGOZTHYUCARGI-UHFFFAOYSA-N	-1	0	285.368	4.282	1	30		CIEFRM
CCCCCCC[C@H](C/C=C/CCC(=O)[O-])OC	ZINC000072175199	176334377	/nfs/dbraw/zinc/33/43/77/176334377.db2.gz	DHIPOEWPWSLXNL-RCQQVGEISA-N	-1	0	256.386	4.173	1	30		CIEFRM
CCCCCCCCCCOCCCCC(=O)[O-]	ZINC000096907384	185128512	/nfs/dbraw/zinc/12/85/12/185128512.db2.gz	IZGZSBCWROSAPI-UHFFFAOYSA-N	-1	0	258.402	4.399	1	30		CIEFRM
CCCCC/C=C/C=C1/C(=O)C=C[C@@H]1CCCCC(=O)[O-]	ZINC000096910186	185129529	/nfs/dbraw/zinc/12/95/29/185129529.db2.gz	PCBMOOTXFSRAOQ-RLTIYUTQSA-N	-1	0	290.403	4.449	1	30		CIEFRM
CC1=C[C@@](C)(c2ccccc2[S-])[C@H](S)C(C)=C1	ZINC000086861415	327159278	/nfs/dbraw/zinc/15/92/78/327159278.db2.gz	LZJWGZPNWYCRRI-CABCVRRESA-N	-1	0	262.443	4.438	2	30		CIEFRM
CC1=C([O-])[C@](C)(/C=C2/C=C/CCCCC2)SC1=O	ZINC000053275882	520841027	/nfs/dbraw/zinc/84/10/27/520841027.db2.gz	DZTAZMBSUSMJMI-JQFYYSCOSA-N	-1	0	264.390	4.297	1	30		CIEFRM
CCCCCCCCCCCCCCC(=O)NCC(=O)[O-]	ZINC000085589935	571785722	/nfs/dbraw/zinc/78/57/22/571785722.db2.gz	GFPGAMQTXLSWHM-UHFFFAOYSA-N	-1	0	299.455	4.278	1	30	endogenous,in-man	CIEFRM
O=C(/C=C/c1ccccc1C(F)(F)F)c1ccccc1[O-]	ZINC000096903284	185127808	/nfs/dbraw/zinc/12/78/08/185127808.db2.gz	LSFPYNVKZANYQT-MDZDMXLPSA-N	-1	0	292.256	4.307	1	30		CIEFRM
Nc1ccc(C(=O)/C=C/c2ccc3ccccc3c2)c([O-])c1	ZINC000096914970	185129470	/nfs/dbraw/zinc/12/94/70/185129470.db2.gz	KBVKGJFDVCFBCP-UXBLZVDNSA-N	-1	0	289.334	4.024	1	30		CIEFRM
CC(=Nc1ccc(O)cc1)c1sc2ccccc2c1[O-]	ZINC000020194062	171060123	/nfs/dbraw/zinc/06/01/23/171060123.db2.gz	YQOVLZRFLVGMEZ-LICLKQGHSA-N	-1	0	283.352	4.453	1	30		CIEFRM
CC(C)(C)c1ccc(C=NNc2ccc(C(=O)[O-])cc2)cc1	ZINC000034758884	171865726	/nfs/dbraw/zinc/86/57/26/171865726.db2.gz	GAUVTANYBPNLLZ-UNOMPAQXSA-N	-1	0	296.370	4.128	1	30		CIEFRM
CC1=C[C@](C)(c2ccccc2[S-])[C@@H](S)C(C)=C1	ZINC000086861420	327159301	/nfs/dbraw/zinc/15/93/01/327159301.db2.gz	LZJWGZPNWYCRRI-LSDHHAIUSA-N	-1	0	262.443	4.438	2	30		CIEFRM
CC1=C([O-])[C@](C)(Cc2c(C)cc(C)cc2C)SC1=O	ZINC000101034697	185732559	/nfs/dbraw/zinc/73/25/59/185732559.db2.gz	DECFZFGYRJPNKA-INIZCTEOSA-N	-1	0	276.401	4.018	1	30		CIEFRM
CCC(C)(C)c1ccc(Sc2c[n-]c(=O)c(C#N)c2)cc1	ZINC000095598246	185015607	/nfs/dbraw/zinc/01/56/07/185015607.db2.gz	PAHSPAOJQGRWMK-UHFFFAOYSA-N	-1	0	298.411	4.498	1	30		CIEFRM
C[C@H](C=O)CCCCCCCCCC/C=C/C(=O)[O-]	ZINC000085510631	290876877	/nfs/dbraw/zinc/87/68/77/290876877.db2.gz	PEMFRIONVPNSBD-FQNOHDAGSA-N	-1	0	268.397	4.363	1	30	biogenic,in-vitro	CIEFRM
O=C1C(=O)C(CCCC2CCCCC2)=C([O-])c2ccccc21	ZINC000005647197	170123730	/nfs/dbraw/zinc/12/37/30/170123730.db2.gz	YWCRDQUBLARYCI-UHFFFAOYSA-N	-1	0	298.382	4.472	1	30		CIEFRM
[O-]/N=C(\c1cc2ccccc2o1)c1ccc(Cl)cc1	ZINC000008667242	170344820	/nfs/dbraw/zinc/34/48/20/170344820.db2.gz	ZEOAOTRMQPJDQG-ICFOKQHNSA-N	-1	0	271.703	4.313	1	30		CIEFRM
Nc1ccc(C(=O)/C=C/c2csc3ccccc23)c([O-])c1	ZINC000096914968	185129598	/nfs/dbraw/zinc/12/95/98/185129598.db2.gz	PICQBDTWRQPJAF-VMPITWQZSA-N	-1	0	295.363	4.085	1	30		CIEFRM
CCCC[C@@H](CC)C[C@]1(C)SC([O-])=C(C)C1=O	ZINC000101034949	185732514	/nfs/dbraw/zinc/73/25/14/185732514.db2.gz	VLJYGBUQBGLSQC-RISCZKNCSA-N	-1	0	256.411	4.457	1	30		CIEFRM
CCc1c(C(=O)/C=C/C(=O)[O-])cc(C(C)C)cc1C(C)C	ZINC000072175277	176334052	/nfs/dbraw/zinc/33/40/52/176334052.db2.gz	HGULEZSNVRMLJV-BQYQJAHWSA-N	-1	0	288.387	4.319	1	30		CIEFRM
O=C(/C=C/C=C/c1ccc(Cl)cc1)c1ccccc1[O-]	ZINC000095589552	185014515	/nfs/dbraw/zinc/01/45/15/185014515.db2.gz	GEUBOANDXYLBSM-JGOQQPJWSA-N	-1	0	284.742	4.498	1	30		CIEFRM
CC1=C[C@@](C)(c2ccccc2[S-])[C@@H](S)C(C)=C1	ZINC000086861418	327159200	/nfs/dbraw/zinc/15/92/00/327159200.db2.gz	LZJWGZPNWYCRRI-GJZGRUSLSA-N	-1	0	262.443	4.438	2	30		CIEFRM
O=C([O-])CCCCCCC/C=C\C#CC#Cc1ccco1	ZINC000001550804	560182160	/nfs/dbraw/zinc/18/21/60/560182160.db2.gz	AKBAHATYKFKXLG-RQOWECAXSA-N	-1	0	284.355	4.006	1	30	in-vitro	CIEFRM
CCC/C=C\C#C/C=C/[C@H](O)CCCCCCCC(=O)[O-]	ZINC000033822302	171821632	/nfs/dbraw/zinc/82/16/32/171821632.db2.gz	DFVZVNJGUDAZDP-NBRIXNEGSA-N	-1	0	292.419	4.079	1	30		CIEFRM