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)CC(=O)C1=C([O-])C(=O)[C@](O)(C(=O)C[C@@H](O)C(C)(C)O)C1=O	ZINC000014447698	574413411	/nfs/dbraw/zinc/41/34/11/574413411.db2.gz	VLAQNGQRJDXOQS-ABKXIKBNSA-N	-1	1	342.344	-0.612	1	30	endogenous,in-man	EBEFMM
CC(C)CC([O-])=C1C(=O)C(=O)[C@](O)(C(=O)C[C@@H](O)C(C)(C)O)C1=O	ZINC000014447698	574413412	/nfs/dbraw/zinc/41/34/12/574413412.db2.gz	VLAQNGQRJDXOQS-ABKXIKBNSA-N	-1	1	342.344	-0.612	1	30	endogenous,in-man	EBEFMM
CC(C)CC(=O)C1=C([O-])C(=O)[C@@](O)(C(=O)C[C@H](O)C(C)(C)O)C1=O	ZINC000014447703	574413414	/nfs/dbraw/zinc/41/34/14/574413414.db2.gz	VLAQNGQRJDXOQS-XXFAHNHDSA-N	-1	1	342.344	-0.612	1	30	endogenous,in-man	EBEFMM
CC(C)CC([O-])=C1C(=O)C(=O)[C@@](O)(C(=O)C[C@H](O)C(C)(C)O)C1=O	ZINC000014447703	574413415	/nfs/dbraw/zinc/41/34/15/574413415.db2.gz	VLAQNGQRJDXOQS-XXFAHNHDSA-N	-1	1	342.344	-0.612	1	30	endogenous,in-man	EBEFMM
C[C@H](Cn1cnc2ncnc(NC(N)=[NH2+])c21)OCP(=O)([O-])[O-]	ZINC000029123649	202181454	/nfs/dbraw/zinc/18/14/54/202181454.db2.gz	USBXDYZHJNKAFO-ZCFIWIBFSA-N	-1	1	329.257	-0.729	1	30		EBEFMM
CCOC(=O)C(=O)Nc1cc(C#N)cc(NC(=O)c2nn[n-]n2)c1	ZINC000027862825	202160203	/nfs/dbraw/zinc/16/02/03/202160203.db2.gz	JDCJJZPHEMRYAX-UHFFFAOYSA-N	-1	1	329.276	-0.175	1	30		EBEFMM
CC(C)CC(=O)C1=C([O-])C(=O)[C@](O)(C(=O)C[C@H](O)C(C)(C)O)C1=O	ZINC000014447702	574413408	/nfs/dbraw/zinc/41/34/08/574413408.db2.gz	VLAQNGQRJDXOQS-FVMDXXJSSA-N	-1	1	342.344	-0.612	1	30	endogenous,in-man	EBEFMM
CC(C)CC([O-])=C1C(=O)C(=O)[C@](O)(C(=O)C[C@H](O)C(C)(C)O)C1=O	ZINC000014447702	574413409	/nfs/dbraw/zinc/41/34/09/574413409.db2.gz	VLAQNGQRJDXOQS-FVMDXXJSSA-N	-1	1	342.344	-0.612	1	30	endogenous,in-man	EBEFMM
CC(C)CC(=O)C1=C([O-])C(=O)[C@@](O)(C(=O)C[C@@H](O)C(C)(C)O)C1=O	ZINC000014447700	574413403	/nfs/dbraw/zinc/41/34/03/574413403.db2.gz	VLAQNGQRJDXOQS-JDNHERCYSA-N	-1	1	342.344	-0.612	1	30	endogenous,in-man	EBEFMM
CC(C)CC([O-])=C1C(=O)C(=O)[C@@](O)(C(=O)C[C@@H](O)C(C)(C)O)C1=O	ZINC000014447700	574413404	/nfs/dbraw/zinc/41/34/04/574413404.db2.gz	VLAQNGQRJDXOQS-JDNHERCYSA-N	-1	1	342.344	-0.612	1	30	endogenous,in-man	EBEFMM