smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC1=C(O)[C@@](C)(Cc2ccc(C)cc2)SC1=O	ZINC000013553927	168088180	/nfs/dbraw/zinc/08/81/80/168088180.db2.gz	RGYUMIUCPQIDNE-CQSZACIVSA-N	0	1	248.347	3.402	1	30		BGEFMN
CC1=C(O)[C@](C)(Cc2ccc(C)cc2)SC1=O	ZINC000013553928	168088573	/nfs/dbraw/zinc/08/85/73/168088573.db2.gz	RGYUMIUCPQIDNE-AWEZNQCLSA-N	0	1	248.347	3.402	1	30		BGEFMN
CC1=C(O)[C@@](C)(C2CCCCC2)SC1=O	ZINC000013678455	168087945	/nfs/dbraw/zinc/08/79/45/168087945.db2.gz	UEFRJISCESZDKA-GFCCVEGCSA-N	0	1	226.341	3.431	1	30		BGEFMN
CC1=C(O)[C@](C)(C2CCCCC2)SC1=O	ZINC000013678457	168088074	/nfs/dbraw/zinc/08/80/74/168088074.db2.gz	UEFRJISCESZDKA-LBPRGKRZSA-N	0	1	226.341	3.431	1	30		BGEFMN
C=CCCC[C@@]1(C)SC(=O)C(C)=C1O	ZINC000013678474	166245665	/nfs/dbraw/zinc/24/56/65/166245665.db2.gz	IUTIQBKSTUBRJP-LLVKDONJSA-N	0	1	212.314	3.207	1	30		BGEFMN
C=CCCC[C@]1(C)SC(=O)C(C)=C1O	ZINC000013678476	166248252	/nfs/dbraw/zinc/24/82/52/166248252.db2.gz	IUTIQBKSTUBRJP-NSHDSACASA-N	0	1	212.314	3.207	1	30		BGEFMN
C=C1C(=O)c2ccccc2C(O)=C1SCCC	ZINC000026653395	169334601	/nfs/dbraw/zinc/33/46/01/169334601.db2.gz	NPTNFNUFQOMFJR-UHFFFAOYSA-N	0	1	246.331	3.483	1	30		BGEFMN
C=C[C@H]1C[C@@H](C=C)O[P@@](=O)(OCC(=C)C)O1	ZINC000072136787	187871594	/nfs/dbraw/zinc/87/15/94/187871594.db2.gz	FTMYAPUNKLVZBB-SOSAQKQKSA-N	0	1	244.227	3.233	1	30		BGEFMN
Cc1cccc2c3c([nH]c21)C(O)=C(C=O)CCC3	ZINC000073199036	179225857	/nfs/dbraw/zinc/22/58/57/179225857.db2.gz	XVTUQTRFDQCKSN-CSKARUKUSA-N	0	1	241.290	3.437	1	30		BGEFMN
N#Cc1cc(-c2cccc3ccccc32)c[nH]c1=O	ZINC000095595339	181080970	/nfs/dbraw/zinc/08/09/70/181080970.db2.gz	KVQJIVIRWAYFCK-UHFFFAOYSA-N	0	1	246.269	3.067	1	30		BGEFMN
CC1=C(O)[C@@](C)(CCc2ccccc2)SC1=O	ZINC000101034047	168088476	/nfs/dbraw/zinc/08/84/76/168088476.db2.gz	YNZGQXKLXRBUAO-CQSZACIVSA-N	0	1	248.347	3.483	1	30		BGEFMN
CC1=C(O)[C@](C)(CCc2ccccc2)SC1=O	ZINC000101034051	168088581	/nfs/dbraw/zinc/08/85/81/168088581.db2.gz	YNZGQXKLXRBUAO-AWEZNQCLSA-N	0	1	248.347	3.483	1	30		BGEFMN
CC1=C(O)[C@@](C)(Cc2cccc(C)c2)SC1=O	ZINC000101074617	168088012	/nfs/dbraw/zinc/08/80/12/168088012.db2.gz	FFKYTIGDTKRCPH-CQSZACIVSA-N	0	1	248.347	3.402	1	30		BGEFMN
CC1=C(O)[C@](C)(Cc2cccc(C)c2)SC1=O	ZINC000101074620	168088605	/nfs/dbraw/zinc/08/86/05/168088605.db2.gz	FFKYTIGDTKRCPH-AWEZNQCLSA-N	0	1	248.347	3.402	1	30		BGEFMN
CC1=C(O)[C@@](C)(Cc2ccccc2C)SC1=O	ZINC000101074644	168088561	/nfs/dbraw/zinc/08/85/61/168088561.db2.gz	JSQHUYZSBNGHMJ-CQSZACIVSA-N	0	1	248.347	3.402	1	30		BGEFMN
CC1=C(O)[C@](C)(Cc2ccccc2C)SC1=O	ZINC000101074650	168088269	/nfs/dbraw/zinc/08/82/69/168088269.db2.gz	JSQHUYZSBNGHMJ-AWEZNQCLSA-N	0	1	248.347	3.402	1	30		BGEFMN
CC1=C(O)[C@@](C)(CC2CCC2)SC1=O	ZINC000101074675	168088363	/nfs/dbraw/zinc/08/83/63/168088363.db2.gz	UBWZCIIOPDQJRF-LLVKDONJSA-N	0	1	212.314	3.041	1	30		BGEFMN
CC1=C(O)[C@](C)(CC2CCC2)SC1=O	ZINC000101074677	168088082	/nfs/dbraw/zinc/08/80/82/168088082.db2.gz	UBWZCIIOPDQJRF-NSHDSACASA-N	0	1	212.314	3.041	1	30		BGEFMN
CCC/C=C/[C@@]1(C)SC(=O)C(C)=C1O	ZINC000101451558	188322953	/nfs/dbraw/zinc/32/29/53/188322953.db2.gz	YKLMOTXBCCKOHO-XUIVZRPNSA-N	0	1	212.314	3.207	1	30		BGEFMN
N#Cc1c(=N)sc(S)cc1-c1ccccc1	ZINC000101472650	181071440	/nfs/dbraw/zinc/07/14/40/181071440.db2.gz	MBNDQNPSUSOLAG-UHFFFAOYSA-N	0	1	244.344	3.055	1	30		BGEFMN
CC1=C(O)[C@@](C)(CCC(C)C)SC1=O	ZINC000102156942	168087840	/nfs/dbraw/zinc/08/78/40/168087840.db2.gz	UAHIFWVFSFTKKC-LLVKDONJSA-N	0	1	214.330	3.287	1	30		BGEFMN
C=C[C@@]12CCCC[C@H]1CC(C(=O)OC)C(=O)C2	ZINC000103129610	187291480	/nfs/dbraw/zinc/29/14/80/187291480.db2.gz	LKKIRWFJCSZMQZ-BCEWXUAWSA-N	0	1	236.311	3.128	1	30		BGEFMN
C=C[C@@]12CCCC[C@@H]1CC(C(=O)OC)C(=O)C2	ZINC000103129612	187291444	/nfs/dbraw/zinc/29/14/44/187291444.db2.gz	LKKIRWFJCSZMQZ-IJYRHHOGSA-N	0	1	236.311	3.128	1	30		BGEFMN
CC1(C)/C(=[NH+]\CCCC(=O)[O-])[C@]2(C)CC[C@H]1C2	ZINC000103193946	188324137	/nfs/dbraw/zinc/32/41/37/188324137.db2.gz	AAUDBCJOIMDPGU-VJBZWKFCSA-N	0	1	237.343	3.138	1	30		BGEFMN
C/C=C/C(=O)c1cc(O)c2ccccc2c1O	ZINC000103229047	188323482	/nfs/dbraw/zinc/32/34/82/188323482.db2.gz	XHOLFISCHAITBY-GORDUTHDSA-N	0	1	228.247	3.010	1	30		BGEFMN
Cc1ccc(C(=O)/C=C/c2ccco2)c(O)c1	ZINC000008684312	178369081	/nfs/dbraw/zinc/36/90/81/178369081.db2.gz	QBXUIWRVPNNSEM-FNORWQNLSA-N	0	1	228.247	3.190	3	30		BGEFMN