smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C([O-])CN(CC(=O)[O-])CC(O)CN(CC(=O)[O-])CC(=O)[O-]	ZINC000003861209	304066042	/nfs/dbraw/zinc/06/60/42/304066042.db2.gz	WYMDDFRYORANCC-UHFFFAOYSA-N	-4	1	322.270	-2.710	50	0	world	DAAAML
O=[P@]1([O-])N=P([O-])([O-])N=P([O-])([O-])NP([O-])([O-])=[NH+]1	ZINC000263621383	373158439	/nfs/dbraw/zinc/15/84/39/373158439.db2.gz	PTDSNNVMKZYOAN-UHFFFAOYSA-N	-6	1	315.980	-1.240	50	0		DAAAML
C[C@@H](CN(CC(=O)[O-])CC(=O)[O-])[NH+](CC(=O)[O-])CC(=O)[O-]	ZINC000019367477	372781430	/nfs/dbraw/zinc/78/14/30/372781430.db2.gz	XNCSCQSQSGDGES-ZETCQYMHSA-N	-3	1	306.271	-1.683	50	0		DAAAML
O=P([O-])([O-])OC[C@H]1O[C@]2(CO[P@](=O)([O-])O2)[C@H](O)[C@@H]1O	ZINC000215856195	373066609	/nfs/dbraw/zinc/06/66/09/373066609.db2.gz	OYLOOUQOYVXAHA-KAZBKCHUSA-N	-3	1	322.099	-1.940	50	0		DAAAML
O=C([O-])CCN(CC[N@@H+](CCC(=O)[O-])CC(=O)[O-])CC(=O)[O-]	ZINC000022576460	304051991	/nfs/dbraw/zinc/05/19/91/304051991.db2.gz	IZQWNOQOAFSHOK-UHFFFAOYSA-N	-3	1	320.298	-1.291	50	0	in-vitro	DAAAML
C[C@H](CN(CC(=O)[O-])CC(=O)[O-])[NH+](CC(=O)[O-])CC(=O)[O-]	ZINC000019366539	372781982	/nfs/dbraw/zinc/78/19/82/372781982.db2.gz	XNCSCQSQSGDGES-SSDOTTSWSA-N	-3	1	306.271	-1.683	50	0		DAAAML
O=P([O-])([O-])OC[C@H]1O[C@]2(CO[P@](=O)([O-])O2)[C@H](O)[C@H]1O	ZINC000215856243	373066225	/nfs/dbraw/zinc/06/62/25/373066225.db2.gz	OYLOOUQOYVXAHA-MOJAZDJTSA-N	-3	1	322.099	-1.940	50	0		DAAAML
O=C([O-])CNc1nc(NCC(=O)[O-])nc(N2CCOCC2)n1	ZINC000002316003	373631371	/nfs/dbraw/zinc/63/13/71/373631371.db2.gz	ORNNLKQXCUZNBW-UHFFFAOYSA-N	-2	1	312.286	-1.299	50	0		DAAAML
NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-]	ZINC000003776571	303366283	/nfs/dbraw/zinc/36/62/83/303366283.db2.gz	JJGBXTYGTKWGAT-YUMQZZPRSA-N	-2	1	301.299	-1.630	50	0	investigational	DAAAML