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(C)=C/CC/C(C)=C/CC[P@@](=O)([O-])O[P@@](=O)([O-])O	ZINC000040434013	205065579	/nfs/dbraw/zinc/06/55/79/205065579.db2.gz	ZTBUGSKKCSUCLQ-NCZFFCEISA-N	-2	1	380.358	5.090	1	0		GKAFML
CC(C)=CCC/C(C)=C/CC/C(C)=C/CC[P@@](=O)([O-])O[P@](=O)([O-])O	ZINC000040434013	205065582	/nfs/dbraw/zinc/06/55/82/205065582.db2.gz	ZTBUGSKKCSUCLQ-NCZFFCEISA-N	-2	1	380.358	5.090	1	0		GKAFML
CC(C)=CCC/C(C)=C/CC/C(C)=C/CC[P@@](=O)([O-])C[P@](=O)([O-])O	ZINC000001537313	212248663	/nfs/dbraw/zinc/24/86/63/212248663.db2.gz	OPTQBHLRSXBIHD-JTCWOHKRSA-N	-2	1	378.386	5.201	1	0	in-vivo	GKAFML
CC(C)=CCC/C(C)=C/CCCCCCC[C@H]([P@](C)(=O)[O-])[P@](=O)([O-])O	ZINC000013742073	221286769	/nfs/dbraw/zinc/28/67/69/221286769.db2.gz	IJSHDRSBRXSFIG-VJSYINPZSA-N	-2	1	394.429	5.814	1	0		GKAFML
CC(C)=CCC/C(C)=C/CC/C(C)=C/C[C@@H]([P@](C)(=O)[O-])[P@](=O)([O-])O	ZINC000013742040	210088944	/nfs/dbraw/zinc/08/89/44/210088944.db2.gz	WXLQYCKKYNNCCQ-IYVBATGJSA-N	-2	1	378.386	5.200	1	0		GKAFML
CC(C)=CCC/C(C)=C/CC/C(C)=C/C=C/[P@](=O)([O-])C[P@](=O)([O-])O	ZINC000029551585	207365094	/nfs/dbraw/zinc/36/50/94/207365094.db2.gz	IZSUFXYWDUWORE-LFDLETANSA-N	-2	1	376.370	5.325	1	0		GKAFML
CC(C)=CCC/C(C)=C/CC/C(C)=C/C[C@H]([P@](C)(=O)[O-])[P@](=O)([O-])O	ZINC000013742041	221286784	/nfs/dbraw/zinc/28/67/84/221286784.db2.gz	WXLQYCKKYNNCCQ-DONOPRKNSA-N	-2	1	378.386	5.200	1	0		GKAFML
CC/C(=C\CO[P@@](=O)([O-])O[P@@](=O)([O-])O)CC/C=C(\C)CCC=C(C)C	ZINC000013557438	221272957	/nfs/dbraw/zinc/27/29/57/221272957.db2.gz	LBVQFALCKFOREH-NCZFFCEISA-N	-2	1	396.357	5.022	1	0		GKAFML
CC/C(=C\CO[P@@](=O)([O-])O[P@](=O)([O-])O)CC/C=C(\C)CCC=C(C)C	ZINC000013557438	221272960	/nfs/dbraw/zinc/27/29/60/221272960.db2.gz	LBVQFALCKFOREH-NCZFFCEISA-N	-2	1	396.357	5.022	1	0		GKAFML
CC(C)=CCC/C(C)=C/CCCCCC[C@H]([P@](C)(=O)[O-])[P@](=O)([O-])O	ZINC000013742069	221286436	/nfs/dbraw/zinc/28/64/36/221286436.db2.gz	DPDLUUWFVYYYOE-NWNNTGRJSA-N	-2	1	380.402	5.424	1	0		GKAFML
CC(C)=CCC/C(C)=C/CC/C(C)=C/CS[P@@](=O)([O-])O[P@@](=O)([O-])O	ZINC000012504468	560212715	/nfs/dbraw/zinc/21/27/15/560212715.db2.gz	MYMLCRQRXFRQGP-YFVJMOTDSA-N	-2	1	398.398	5.349	1	0	in-vitro,metabolite	GKAFML
CC(C)=CCC/C(C)=C/CC/C(C)=C/CS[P@@](=O)([O-])O[P@](=O)([O-])O	ZINC000012504468	560212717	/nfs/dbraw/zinc/21/27/17/560212717.db2.gz	MYMLCRQRXFRQGP-YFVJMOTDSA-N	-2	1	398.398	5.349	1	0	in-vitro,metabolite	GKAFML
CC(C)=CCC/C(C)=C/CC/C(C)=C(\C)CO[P@@](=O)([O-])O[P@@](=O)([O-])O	ZINC000013540384	210066841	/nfs/dbraw/zinc/06/68/41/210066841.db2.gz	NLEXDUMLYCKKMI-MQIHADEYSA-N	-2	1	396.357	5.022	1	0		GKAFML
CC(C)=CCC/C(C)=C/CC/C(C)=C(\C)CO[P@@](=O)([O-])O[P@](=O)([O-])O	ZINC000013540384	210066843	/nfs/dbraw/zinc/06/68/43/210066843.db2.gz	NLEXDUMLYCKKMI-MQIHADEYSA-N	-2	1	396.357	5.022	1	0		GKAFML