smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
[NH3+]C(C(=O)[O-])(C(=O)[O-])C(=O)[O-]	39136158	571904390	/nfs/dbraw/zinc/90/43/90/571904390.db2.gz	NATWVKLDGZLUAI-UHFFFAOYSA-N	-2	2	163.085	-2.062	10	0		AAAELL
NC(N=CC(=O)[O-])N[P@@](=O)([O-])O	4096038	574412200	/nfs/dbraw/zinc/41/22/00/574412200.db2.gz	UUZLOPBEONRDRY-UHFFFAOYSA-N	-2	2	197.087	-1.722	10	0	endogenous,in-man	AAAELL
NC(N=CC(=O)[O-])N[P@](=O)([O-])O	4096038	574412201	/nfs/dbraw/zinc/41/22/01/574412201.db2.gz	UUZLOPBEONRDRY-UHFFFAOYSA-N	-2	2	197.087	-1.722	10	0	endogenous,in-man	AAAELL
C[NH2+]Cc1nc(O)c(C)c(=O)[nH]1	118161275	583293106	/nfs/dbraw/zinc/29/31/06/583293106.db2.gz	ZGWSQSRHZVJSDQ-UHFFFAOYSA-N	-2	2	169.184	-1.103	10	0		AAAELL
[NH3+]C(CC(=O)[O-])(CC(=O)[O-])C(=O)[O-]	24957899	169167923	/nfs/dbraw/zinc/16/79/23/169167923.db2.gz	ZJBWCVAEGNLETQ-UHFFFAOYSA-N	-2	2	191.139	-1.282	10	0	in-vitro	AAAELL
O=C([O-])CN[P@](=O)([O-])O	13550500	169341229	/nfs/dbraw/zinc/34/12/29/169341229.db2.gz	QUIQKYAAGXIAFF-UHFFFAOYSA-N	-2	2	155.046	-1.247	10	0		AAAELL
O=C([O-])CN[P@@](=O)([O-])O	13550500	169341231	/nfs/dbraw/zinc/34/12/31/169341231.db2.gz	QUIQKYAAGXIAFF-UHFFFAOYSA-N	-2	2	155.046	-1.247	10	0		AAAELL
O=C([O-])[C@H](CO)N[P@@](=O)([O-])O	95080606	169350799	/nfs/dbraw/zinc/35/07/99/169350799.db2.gz	ARBKBBKXTZQHMK-REOHCLBHSA-N	-2	2	185.072	-1.886	10	0		AAAELL
O=C([O-])[C@H](CO)N[P@](=O)([O-])O	95080606	169350801	/nfs/dbraw/zinc/35/08/01/169350801.db2.gz	ARBKBBKXTZQHMK-REOHCLBHSA-N	-2	2	185.072	-1.886	10	0		AAAELL
O=P([O-])(O)C(O)[P@@](=O)([O-])O	24740492	351418196	/nfs/dbraw/zinc/41/81/96/351418196.db2.gz	HJZKOAYDRQLPME-UHFFFAOYSA-N	-2	2	192.000	-1.382	10	0	world	AAAELL
O=P([O-])(O)C(O)[P@](=O)([O-])O	24740492	351418201	/nfs/dbraw/zinc/41/82/01/351418201.db2.gz	HJZKOAYDRQLPME-UHFFFAOYSA-N	-2	2	192.000	-1.382	10	0	world	AAAELL
[NH3+]CC(=O)NOCC(=O)[O-]	104566219	573020807	/nfs/dbraw/zinc/02/08/07/573020807.db2.gz	GVJRVCGGEYBWLK-UHFFFAOYSA-N	-2	2	148.118	-1.923	10	0		AAAELL