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-])c1c(=O)[nH]c(=O)[nH]c1O	ZINC000001646665	372756842	/nfs/dbraw/zinc/75/68/42/372756842.db2.gz	QDHGQJQZPJPKJK-UHFFFAOYSA-N	-2	2	259.174	-2.808	50	0		CAAALL
O=C([O-])CC[C@@H](C(=O)[O-])[NH+](CC(=O)[O-])CC(=O)[O-]	ZINC000001675176	372756885	/nfs/dbraw/zinc/75/68/85/372756885.db2.gz	VCVKIIDXVWEWSZ-YFKPBYRVSA-N	-3	2	263.202	-1.224	50	0		CAAALL
O=C([O-])CC[NH2+]CC(P(=O)([O-])O)[P@](=O)([O-])O	ZINC000020157084	374103084	/nfs/dbraw/zinc/10/30/84/374103084.db2.gz	AIBHIWZOZMLHAG-UHFFFAOYSA-N	-2	2	277.106	-1.268	50	0		CAAALL
O=C([O-])CC[NH2+]CC(P(=O)([O-])O)[P@@](=O)([O-])O	ZINC000020157084	374103108	/nfs/dbraw/zinc/10/31/08/374103108.db2.gz	AIBHIWZOZMLHAG-UHFFFAOYSA-N	-2	2	277.106	-1.268	50	0		CAAALL
O=P([O-])(O)C(N1CCOCC1)[P@](=O)([O-])O	ZINC000005376295	170091012	/nfs/dbraw/zinc/09/10/12/170091012.db2.gz	KVUUQMDVROTSNI-UHFFFAOYSA-N	-2	2	261.107	-1.042	50	0		CAAALL
O=P([O-])(O)C(N1CCOCC1)[P@@](=O)([O-])O	ZINC000005376295	170091014	/nfs/dbraw/zinc/09/10/14/170091014.db2.gz	KVUUQMDVROTSNI-UHFFFAOYSA-N	-2	2	261.107	-1.042	50	0		CAAALL
O=C([O-])[C@H](O)[C@H](O)[C@H](O)[C@H](O)CO[P@@](=O)([O-])O	ZINC000012501560	574413068	/nfs/dbraw/zinc/41/30/68/574413068.db2.gz	BIRSGZKFKXLSJQ-TXICZTDVSA-N	-2	2	276.134	-3.376	50	0	endogenous,in-vitro	CAAALL
O=C([O-])[C@H](O)[C@H](O)[C@H](O)[C@H](O)CO[P@](=O)([O-])O	ZINC000012501560	574413069	/nfs/dbraw/zinc/41/30/69/574413069.db2.gz	BIRSGZKFKXLSJQ-TXICZTDVSA-N	-2	2	276.134	-3.376	50	0	endogenous,in-vitro	CAAALL
O=C([O-])CN(CP(=O)([O-])O)C[P@](=O)([O-])O	ZINC000004521256	372771086	/nfs/dbraw/zinc/77/10/86/372771086.db2.gz	OXHDYFKENBXUEM-UHFFFAOYSA-N	-3	2	263.079	-1.357	50	0	in-vitro	CAAALL
O=C([O-])CN(CP(=O)([O-])O)C[P@@](=O)([O-])O	ZINC000004521256	372771097	/nfs/dbraw/zinc/77/10/97/372771097.db2.gz	OXHDYFKENBXUEM-UHFFFAOYSA-N	-3	2	263.079	-1.357	50	0	in-vitro	CAAALL
O=C([O-])C1=C[C@@H](O[P@@](=O)([O-])O)[C@@H](O)[C@H](O)C1	ZINC000003870237	304035657	/nfs/dbraw/zinc/03/56/57/304035657.db2.gz	QYOJSKGCWNAKGW-PBXRRBTRSA-N	-2	2	254.131	-1.399	50	0	in-vivo,metabolite	CAAALL
O=C([O-])C1=C[C@@H](O[P@](=O)([O-])O)[C@@H](O)[C@H](O)C1	ZINC000003870237	304035659	/nfs/dbraw/zinc/03/56/59/304035659.db2.gz	QYOJSKGCWNAKGW-PBXRRBTRSA-N	-2	2	254.131	-1.399	50	0	in-vivo,metabolite	CAAALL
O=C1O[C@H]([C@@H](O)CO)C([O-])=C1O[P@@](=O)([O-])O	ZINC000100042156	372897887	/nfs/dbraw/zinc/89/78/87/372897887.db2.gz	MIJPAVRNWPDMOR-ZAFYKAAXSA-N	-2	2	256.103	-1.856	50	0	in-vitro	CAAALL
O=C1O[C@H]([C@@H](O)CO)C([O-])=C1O[P@](=O)([O-])O	ZINC000100042156	372897895	/nfs/dbraw/zinc/89/78/95/372897895.db2.gz	MIJPAVRNWPDMOR-ZAFYKAAXSA-N	-2	2	256.103	-1.856	50	0	in-vitro	CAAALL
O=C([O-])[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO[P@@](=O)([O-])O	ZINC000001532623	304173798	/nfs/dbraw/zinc/17/37/98/304173798.db2.gz	BIRSGZKFKXLSJQ-SQOUGZDYSA-N	-2	2	276.134	-3.376	50	0	endogenous,in-man	CAAALL
O=C([O-])[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO[P@](=O)([O-])O	ZINC000001532623	304173799	/nfs/dbraw/zinc/17/37/99/304173799.db2.gz	BIRSGZKFKXLSJQ-SQOUGZDYSA-N	-2	2	276.134	-3.376	50	0	endogenous,in-man	CAAALL
O=C([O-])[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)CO[P@@](=O)([O-])O	ZINC000012501562	574413053	/nfs/dbraw/zinc/41/30/53/574413053.db2.gz	BIRSGZKFKXLSJQ-QMKXCQHVSA-N	-2	2	276.134	-3.376	50	0	endogenous,in-vitro	CAAALL
O=C([O-])[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)CO[P@](=O)([O-])O	ZINC000012501562	574413054	/nfs/dbraw/zinc/41/30/54/574413054.db2.gz	BIRSGZKFKXLSJQ-QMKXCQHVSA-N	-2	2	276.134	-3.376	50	0	endogenous,in-vitro	CAAALL
O=C([O-])[C@H](O)[C@H](O)[C@H](O)[C@@H](O)CO[P@@](=O)([O-])O	ZINC000012501558	574413061	/nfs/dbraw/zinc/41/30/61/574413061.db2.gz	BIRSGZKFKXLSJQ-NRXMZTRTSA-N	-2	2	276.134	-3.376	50	0	endogenous,in-vitro	CAAALL
O=C([O-])[C@H](O)[C@H](O)[C@H](O)[C@@H](O)CO[P@](=O)([O-])O	ZINC000012501558	574413062	/nfs/dbraw/zinc/41/30/62/574413062.db2.gz	BIRSGZKFKXLSJQ-NRXMZTRTSA-N	-2	2	276.134	-3.376	50	0	endogenous,in-vitro	CAAALL
O=C([O-])[C@H](O)[C@H](O)[C@@H](O)[C@H](O)CO[P@@](=O)([O-])O	ZINC000012501564	574413071	/nfs/dbraw/zinc/41/30/71/574413071.db2.gz	BIRSGZKFKXLSJQ-KKQCNMDGSA-N	-2	2	276.134	-3.376	50	0	endogenous,in-vitro	CAAALL
O=C([O-])[C@H](O)[C@H](O)[C@@H](O)[C@H](O)CO[P@](=O)([O-])O	ZINC000012501564	574413072	/nfs/dbraw/zinc/41/30/72/574413072.db2.gz	BIRSGZKFKXLSJQ-KKQCNMDGSA-N	-2	2	276.134	-3.376	50	0	endogenous,in-vitro	CAAALL