smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[C@@H]([NH2+]CC(=O)[O-])[P@@](=O)([O-])O	26723529	168378452	/nfs/dbraw/zinc/37/84/52/168378452.db2.gz	JHBFOISHSQMPPH-VKHMYHEASA-N	-3	2	183.100	-0.816	10	0		ABAELL
O=C([O-])[C@H]1CC[C@H]([P@@](=O)([O-])O)[NH2+]1	26727166	169352770	/nfs/dbraw/zinc/35/27/70/169352770.db2.gz	NHUJRKRSOXZZSB-DMTCNVIQSA-N	-3	2	195.111	-0.673	10	0		ABAELL
O=C([O-])[C@H]1CC[C@@H]([P@@](=O)([O-])O)[NH2+]1	26727157	169353051	/nfs/dbraw/zinc/35/30/51/169353051.db2.gz	NHUJRKRSOXZZSB-QWWZWVQMSA-N	-3	2	195.111	-0.673	10	0		ABAELL
O=C(P(=O)([O-])[O-])[P@](=O)([O-])O	60134681	169361449	/nfs/dbraw/zinc/36/14/49/169361449.db2.gz	XYORSKKUGAGNPC-UHFFFAOYSA-N	-3	2	189.984	-0.538	10	0		ABAELL
O=C(P(=O)([O-])[O-])[P@@](=O)([O-])O	60134681	169361451	/nfs/dbraw/zinc/36/14/51/169361451.db2.gz	XYORSKKUGAGNPC-UHFFFAOYSA-N	-3	2	189.984	-0.538	10	0		ABAELL
O=C([O-])C1(O[P@](=O)([O-])O)CC1	3645447	171009310	/nfs/dbraw/zinc/00/93/10/171009310.db2.gz	SCMOWVYOKVTMAY-UHFFFAOYSA-N	-2	2	182.068	-0.287	10	0	in-vitro	ABAELL
O=C([O-])C1(O[P@@](=O)([O-])O)CC1	3645447	171009312	/nfs/dbraw/zinc/00/93/12/171009312.db2.gz	SCMOWVYOKVTMAY-UHFFFAOYSA-N	-2	2	182.068	-0.287	10	0	in-vitro	ABAELL
CN(CC(=O)[O-])[P@@](=O)([O-])O	79456824	343589169	/nfs/dbraw/zinc/58/91/69/343589169.db2.gz	QJICNAUCGTWDHE-UHFFFAOYSA-N	-2	2	169.073	-0.905	10	0		ABAELL
CN(CC(=O)[O-])[P@](=O)([O-])O	79456824	343589172	/nfs/dbraw/zinc/58/91/72/343589172.db2.gz	QJICNAUCGTWDHE-UHFFFAOYSA-N	-2	2	169.073	-0.905	10	0		ABAELL
CC(C)CCn1[n-]c(=O)c(=O)[nH]c1=O	143904417	344022816	/nfs/dbraw/zinc/02/28/16/344022816.db2.gz	WZZUHRYNAALOOE-UHFFFAOYSA-N	-2	2	199.210	-0.317	10	0		ABAELL
CC(C)CCn1nc([O-])c(=O)[nH]c1=O	143904417	344022819	/nfs/dbraw/zinc/02/28/19/344022819.db2.gz	WZZUHRYNAALOOE-UHFFFAOYSA-N	-2	2	199.210	-0.317	10	0		ABAELL
O=C([O-])CN1N=C(C(=O)[O-])CC1=O	34286726	572069391	/nfs/dbraw/zinc/06/93/91/572069391.db2.gz	LTDSPQGCJYSNBI-UHFFFAOYSA-N	-2	2	186.123	-0.629	10	0		ABAELL
COCCc1c(O)[nH]c(=O)[nH]c1=O	142582431	573459964	/nfs/dbraw/zinc/45/99/64/573459964.db2.gz	MGUHHBFBSZFSAD-UHFFFAOYSA-N	-2	2	186.167	-0.995	10	0		ABAELL
O=C([O-])CCO[P@](=O)([O-])O	13542400	560219204	/nfs/dbraw/zinc/21/92/04/560219204.db2.gz	QMMAAPSPIPKBBV-UHFFFAOYSA-N	-2	2	170.057	-0.430	10	0	in-vitro	ABAELL
O=C([O-])CCO[P@@](=O)([O-])O	13542400	560219205	/nfs/dbraw/zinc/21/92/05/560219205.db2.gz	QMMAAPSPIPKBBV-UHFFFAOYSA-N	-2	2	170.057	-0.430	10	0	in-vitro	ABAELL
C[C@H]([NH2+]C[P@@](=O)([O-])O)C(=O)[O-]	26723549	571771881	/nfs/dbraw/zinc/77/18/81/571771881.db2.gz	RASUWBZHFDVNCQ-VKHMYHEASA-N	-3	2	183.100	-0.816	10	0		ABAELL
CC(P(=O)([O-])O)[P@@](=O)([O-])O	31539412	571950706	/nfs/dbraw/zinc/95/07/06/571950706.db2.gz	MXYOPVWZZKEAGX-UHFFFAOYSA-N	-2	2	190.028	-0.312	10	0		ABAELL
CC(P(=O)([O-])O)[P@](=O)([O-])O	31539412	571950709	/nfs/dbraw/zinc/95/07/09/571950709.db2.gz	MXYOPVWZZKEAGX-UHFFFAOYSA-N	-2	2	190.028	-0.312	10	0		ABAELL
O=C([O-])CC(=O)O[P@](=O)([O-])O	13542032	571987172	/nfs/dbraw/zinc/98/71/72/571987172.db2.gz	IJUHOHTWCPRNOW-UHFFFAOYSA-N	-2	2	184.040	-0.903	10	0		ABAELL
O=C([O-])CC(=O)O[P@@](=O)([O-])O	13542032	571987176	/nfs/dbraw/zinc/98/71/76/571987176.db2.gz	IJUHOHTWCPRNOW-UHFFFAOYSA-N	-2	2	184.040	-0.903	10	0		ABAELL
O=C([O-])C1=C(O)C(O)[C@H]1C(=O)[O-]	34449870	572081991	/nfs/dbraw/zinc/08/19/91/572081991.db2.gz	YRNAFAZNDOKXNQ-XIXRPRMCSA-N	-2	2	174.108	-0.271	10	0		ABAELL
O=C([O-])C1=C(O)C(O)[C@@H]1C(=O)[O-]	34449870	572081994	/nfs/dbraw/zinc/08/19/94/572081994.db2.gz	YRNAFAZNDOKXNQ-XIXRPRMCSA-N	-2	2	174.108	-0.271	10	0		ABAELL
CSc1c(O)[nH]c(=O)[nH]c1=O	238415223	573482236	/nfs/dbraw/zinc/48/22/36/573482236.db2.gz	AMDAJPUNYJLUKN-UHFFFAOYSA-N	-2	2	174.181	-0.916	10	0		ABAELL
CC12C3(C(=O)[O-])C1(C(=O)[O-])C23C(=O)O	238179339	573888731	/nfs/dbraw/zinc/88/87/31/573888731.db2.gz	KAKAIUWJXILDLP-UHFFFAOYSA-N	-2	2	198.130	-0.754	10	0		ABAELL
CC(C)(O[P@@](=O)([O-])O)C(=O)[O-]	238199358	573931368	/nfs/dbraw/zinc/93/13/68/573931368.db2.gz	XBWXYTDUPWFHEE-UHFFFAOYSA-N	-2	2	184.084	-0.041	10	0		ABAELL
CC(C)(O[P@](=O)([O-])O)C(=O)[O-]	238199358	573931375	/nfs/dbraw/zinc/93/13/75/573931375.db2.gz	XBWXYTDUPWFHEE-UHFFFAOYSA-N	-2	2	184.084	-0.041	10	0		ABAELL