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-])OP(=O)([O-])[O-]	ZINC000040434013	205065575	/nfs/dbraw/zinc/06/55/75/205065575.db2.gz	ZTBUGSKKCSUCLQ-NCZFFCEISA-N	-3	0	380.358	5.090	1	0		GKAFRL
C[C@@H](C(=O)[O-])n1c2cc(C(=O)[O-])ccc2c(C2CCCCC2)c1-c1ccoc1	ZINC000045373149	210824388	/nfs/dbraw/zinc/82/43/88/210824388.db2.gz	JRLMZQGMYINTNX-ZDUSSCGKSA-N	-2	0	381.428	5.293	1	0		GKAFRL
CC(C)(CCCCCCCCCCCCCCC(C)(C)CC(=O)[O-])CC(=O)[O-]	ZINC000026188750	207309801	/nfs/dbraw/zinc/30/98/01/207309801.db2.gz	RQKGSIGQBVSOAD-UHFFFAOYSA-N	-2	0	398.628	7.450	1	0		GKAFRL
CC(C)=CCC/C(C)=C/CC/C(C)=C/CC[P@@](=O)([O-])C[P@@](=O)([O-])O	ZINC000001537313	212248654	/nfs/dbraw/zinc/24/86/54/212248654.db2.gz	OPTQBHLRSXBIHD-JTCWOHKRSA-N	-2	0	378.386	5.201	1	0	in-vivo	GKAFRL
O=C([O-])c1cc(C(=O)[O-])c2cc(/C=C/c3ccc(-c4ccccc4)cc3)ccc2n1	ZINC000013473785	221269250	/nfs/dbraw/zinc/26/92/50/221269250.db2.gz	MQXOORFWCLUCNF-VOTSOKGWSA-N	-2	0	395.414	5.469	1	0		GKAFRL
CC(C)=CCC/C(C)=C/CCCCCCC[C@H]([P@](C)(=O)[O-])[P@@](=O)([O-])O	ZINC000013742073	221286764	/nfs/dbraw/zinc/28/67/64/221286764.db2.gz	IJSHDRSBRXSFIG-VJSYINPZSA-N	-2	0	394.429	5.814	1	0		GKAFRL
CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@]1(C)CCC[C@@]2(C)CCOP(=O)([O-])[O-]	ZINC000028336184	207340277	/nfs/dbraw/zinc/34/02/77/207340277.db2.gz	JTUAZBDUOANPSM-CRSSMBPESA-N	-2	0	388.529	6.171	1	0		GKAFRL
O=C([O-])c1ccc(COc2ccc3c(c2)cc(C(=O)[O-])cc3-c2ccccc2)cc1	ZINC000071297079	222180047	/nfs/dbraw/zinc/18/00/47/222180047.db2.gz	IAGJKHKZXITPMF-UHFFFAOYSA-N	-2	0	398.414	5.482	1	0		GKAFRL
O=C([O-])CCCCCCCCCCCCCCCCCCCCCCC(=O)[O-]	ZINC000005177797	570421474	/nfs/dbraw/zinc/42/14/74/570421474.db2.gz	QXGVRGZJILVMDF-UHFFFAOYSA-N	-2	0	398.628	7.738	1	0		GKAFRL
CC(C)=CCC/C(C)=C/CC/C(C)=C/C[C@@H]([P@](C)(=O)[O-])[P@@](=O)([O-])O	ZINC000013742040	210088941	/nfs/dbraw/zinc/08/89/41/210088941.db2.gz	WXLQYCKKYNNCCQ-IYVBATGJSA-N	-2	0	378.386	5.200	1	0		GKAFRL
O=P([O-])([O-])C(F)(F)c1cccc(-c2cccc(C3CCCCCC3)c2O)c1	ZINC000096285008	211332004	/nfs/dbraw/zinc/33/20/04/211332004.db2.gz	KTKQESOFGNESNN-UHFFFAOYSA-N	-2	0	396.370	5.724	1	0		GKAFRL
CC(C)(CCCCOc1cccc(OCCCCC(C)(C)C(=O)[O-])c1)C(=O)[O-]	ZINC000025979061	207307256	/nfs/dbraw/zinc/30/72/56/207307256.db2.gz	PLHDNTQLERORJX-UHFFFAOYSA-N	-2	0	394.508	5.006	1	0		GKAFRL
CC(C)(CCCCCCCC(=O)CCCCCCCC(C)(C)C(=O)[O-])C(=O)[O-]	ZINC000028464297	207342986	/nfs/dbraw/zinc/34/29/86/207342986.db2.gz	UVLJYZXKILPXPK-UHFFFAOYSA-N	-2	0	398.584	6.239	1	0		GKAFRL
CCCC[C@@H](CC)Cc1ccc(C(=O)[O-])c(C(=O)[O-])c1C[C@H](CC)CCCC	ZINC000013515267	291149071	/nfs/dbraw/zinc/14/90/71/291149071.db2.gz	XZYRJVLKSRQAGD-QZTJIDSGSA-N	-2	0	390.564	6.601	1	0	biogenic,in-vitro	GKAFRL
CC(C)=CCC/C(C)=C/CC/C(C)=C/C=C/[P@](=O)([O-])C[P@@](=O)([O-])O	ZINC000029551585	207365082	/nfs/dbraw/zinc/36/50/82/207365082.db2.gz	IZSUFXYWDUWORE-LFDLETANSA-N	-2	0	376.370	5.325	1	0		GKAFRL
CC(C)=CCC/C(C)=C/CC/C(C)=C/C[C@H]([P@](C)(=O)[O-])[P@@](=O)([O-])O	ZINC000013742041	221286780	/nfs/dbraw/zinc/28/67/80/221286780.db2.gz	WXLQYCKKYNNCCQ-DONOPRKNSA-N	-2	0	378.386	5.200	1	0		GKAFRL
O=P([O-])([O-])C(F)(F)c1ccc(-c2cccc(Cc3ccc(F)cc3)c2)cc1	ZINC000096284990	208302294	/nfs/dbraw/zinc/30/22/94/208302294.db2.gz	UGWFBSFOAIETOT-UHFFFAOYSA-N	-2	0	392.313	5.311	1	0		GKAFRL
O=P([O-])([O-])C(F)(F)c1cccc(-c2cccc(C3CCCCC3)c2O)c1	ZINC000096284979	208302317	/nfs/dbraw/zinc/30/23/17/208302317.db2.gz	JUSLBFDSFUTQKT-UHFFFAOYSA-N	-2	0	382.343	5.334	1	0		GKAFRL
CC/C(=C\CO[P@@](=O)([O-])OP(=O)([O-])[O-])CC/C=C(\C)CCC=C(C)C	ZINC000013557438	221272954	/nfs/dbraw/zinc/27/29/54/221272954.db2.gz	LBVQFALCKFOREH-NCZFFCEISA-N	-3	0	396.357	5.022	1	0		GKAFRL
CC(C)=CCC/C(C)=C/CCCCCC[C@H]([P@](C)(=O)[O-])[P@@](=O)([O-])O	ZINC000013742069	221286432	/nfs/dbraw/zinc/28/64/32/221286432.db2.gz	DPDLUUWFVYYYOE-NWNNTGRJSA-N	-2	0	380.402	5.424	1	0		GKAFRL
CC(C)(CCCCOc1ccc(OCCCCC(C)(C)C(=O)[O-])cc1)C(=O)[O-]	ZINC000025980326	204838256	/nfs/dbraw/zinc/83/82/56/204838256.db2.gz	FEZZGHBMLLVGSQ-UHFFFAOYSA-N	-2	0	394.508	5.006	1	0		GKAFRL
O=C([O-])c1[nH]c2cc(Cl)cc(Cl)c2c1/C=C/[C@@H](C(=O)[O-])c1ccccc1	ZINC000064527041	222072202	/nfs/dbraw/zinc/07/22/02/222072202.db2.gz	AJTMJIZCAZUSMA-NNNHXZLVSA-N	-2	0	390.222	5.055	1	0		GKAFRL
CC(C)=CCC/C(C)=C/CC/C(C)=C/CS[P@@](=O)([O-])OP(=O)([O-])[O-]	ZINC000012504468	560212711	/nfs/dbraw/zinc/21/27/11/560212711.db2.gz	MYMLCRQRXFRQGP-YFVJMOTDSA-N	-3	0	398.398	5.349	1	0	in-vitro,metabolite	GKAFRL
CC(C)=CCC/C(C)=C/CC/C(C)=C(\C)CO[P@@](=O)([O-])OP(=O)([O-])[O-]	ZINC000013540384	210066840	/nfs/dbraw/zinc/06/68/40/210066840.db2.gz	NLEXDUMLYCKKMI-MQIHADEYSA-N	-3	0	396.357	5.022	1	0		GKAFRL