smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C1O[C@@H]([C@@H](O)CO)C([O-])=C1O[P@@](=O)([O-])O	ZINC000100194925	372750778	/nfs/dbraw/zinc/75/07/78/372750778.db2.gz	MIJPAVRNWPDMOR-OKKQSCSOSA-N	-2	2	256.103	-1.856	40	0	in-vitro	CAABLL
O=C1O[C@@H]([C@@H](O)CO)C([O-])=C1O[P@](=O)([O-])O	ZINC000100194925	372750781	/nfs/dbraw/zinc/75/07/81/372750781.db2.gz	MIJPAVRNWPDMOR-OKKQSCSOSA-N	-2	2	256.103	-1.856	40	0	in-vitro	CAABLL
O=C([O-])[C@H]1O[C@H](O[P@@](=O)([O-])O)[C@H](O)[C@@H](O)[C@H]1O	ZINC000004096292	304209393	/nfs/dbraw/zinc/20/93/93/304209393.db2.gz	AIQDYKMWENWVQJ-DTEWXJGMSA-N	-2	2	274.118	-3.012	40	0	in-vitro	CAABLL
O=C([O-])[C@H]1O[C@H](O[P@](=O)([O-])O)[C@H](O)[C@@H](O)[C@H]1O	ZINC000004096292	304209395	/nfs/dbraw/zinc/20/93/95/304209395.db2.gz	AIQDYKMWENWVQJ-DTEWXJGMSA-N	-2	2	274.118	-3.012	40	0	in-vitro	CAABLL
O=C([O-])C[C@H](O)[C@H](O)[C@H](O)CO[P@@](=O)([O-])O	ZINC000004887586	170036298	/nfs/dbraw/zinc/03/62/98/170036298.db2.gz	LTHDIZOWAIGONP-RPDRRWSUSA-N	-2	2	260.135	-2.347	40	0		CAABLL
O=C([O-])C[C@H](O)[C@H](O)[C@H](O)CO[P@](=O)([O-])O	ZINC000004887586	170036299	/nfs/dbraw/zinc/03/62/99/170036299.db2.gz	LTHDIZOWAIGONP-RPDRRWSUSA-N	-2	2	260.135	-2.347	40	0		CAABLL
O=C([O-])C[C@H](O)[C@@H](O)[C@H](O)CO[P@@](=O)([O-])O	ZINC000004887588	304082295	/nfs/dbraw/zinc/08/22/95/304082295.db2.gz	LTHDIZOWAIGONP-MRKVFDINSA-N	-2	2	260.135	-2.347	40	0		CAABLL
O=C([O-])C[C@H](O)[C@@H](O)[C@H](O)CO[P@](=O)([O-])O	ZINC000004887588	304082297	/nfs/dbraw/zinc/08/22/97/304082297.db2.gz	LTHDIZOWAIGONP-MRKVFDINSA-N	-2	2	260.135	-2.347	40	0		CAABLL
O=C1O[C@@H]([C@H](O)CO)C([O-])=C1O[P@@](=O)([O-])O	ZINC000100194929	372750853	/nfs/dbraw/zinc/75/08/53/372750853.db2.gz	MIJPAVRNWPDMOR-FONMRSAGSA-N	-2	2	256.103	-1.856	40	0	in-vitro	CAABLL
O=C1O[C@@H]([C@H](O)CO)C([O-])=C1O[P@](=O)([O-])O	ZINC000100194929	372750858	/nfs/dbraw/zinc/75/08/58/372750858.db2.gz	MIJPAVRNWPDMOR-FONMRSAGSA-N	-2	2	256.103	-1.856	40	0	in-vitro	CAABLL
O=C1O[C@H]([C@H](O)CO)C([O-])=C1O[P@@](=O)([O-])O	ZINC000100194923	372751474	/nfs/dbraw/zinc/75/14/74/372751474.db2.gz	MIJPAVRNWPDMOR-VVJJHMBFSA-N	-2	2	256.103	-1.856	40	0	in-vitro	CAABLL
O=C1O[C@H]([C@H](O)CO)C([O-])=C1O[P@](=O)([O-])O	ZINC000100194923	372751480	/nfs/dbraw/zinc/75/14/80/372751480.db2.gz	MIJPAVRNWPDMOR-VVJJHMBFSA-N	-2	2	256.103	-1.856	40	0	in-vitro	CAABLL
O=C([O-])[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)CO[P@@](=O)([O-])O	ZINC000002545091	574411848	/nfs/dbraw/zinc/41/18/48/574411848.db2.gz	BIRSGZKFKXLSJQ-KLVWXMOXSA-N	-2	2	276.134	-3.376	40	0	endogenous,in-vitro	CAABLL
O=C([O-])[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)CO[P@](=O)([O-])O	ZINC000002545091	574411849	/nfs/dbraw/zinc/41/18/49/574411849.db2.gz	BIRSGZKFKXLSJQ-KLVWXMOXSA-N	-2	2	276.134	-3.376	40	0	endogenous,in-vitro	CAABLL
O=C([O-])[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)CO[P@@](=O)([O-])O	ZINC000002047359	372759738	/nfs/dbraw/zinc/75/97/38/372759738.db2.gz	BIRSGZKFKXLSJQ-QTBDOELSSA-N	-2	2	276.134	-3.376	40	0	endogenous,in-vivo	CAABLL
O=C([O-])[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)CO[P@](=O)([O-])O	ZINC000002047359	372759739	/nfs/dbraw/zinc/75/97/39/372759739.db2.gz	BIRSGZKFKXLSJQ-QTBDOELSSA-N	-2	2	276.134	-3.376	40	0	endogenous,in-vivo	CAABLL
O=C([O-])[C@H]1O[C@H](O[P@@](=O)([O-])O)[C@H](O)[C@@H](O)[C@@H]1O	ZINC000004095578	304209356	/nfs/dbraw/zinc/20/93/56/304209356.db2.gz	AIQDYKMWENWVQJ-QIUUJYRFSA-N	-2	2	274.118	-3.012	40	0	endogenous,in-man	CAABLL
O=C([O-])[C@H]1O[C@H](O[P@](=O)([O-])O)[C@H](O)[C@@H](O)[C@@H]1O	ZINC000004095578	304209358	/nfs/dbraw/zinc/20/93/58/304209358.db2.gz	AIQDYKMWENWVQJ-QIUUJYRFSA-N	-2	2	274.118	-3.012	40	0	endogenous,in-man	CAABLL
O=C([O-])[C@@H](O)[C@@H](O)[C@@H](O)[C@H](O)CO[P@@](=O)([O-])O	ZINC000003869603	574412066	/nfs/dbraw/zinc/41/20/66/574412066.db2.gz	BIRSGZKFKXLSJQ-STGXQOJASA-N	-2	2	276.134	-3.376	40	0	endogenous,in-vitro	CAABLL
O=C([O-])[C@@H](O)[C@@H](O)[C@@H](O)[C@H](O)CO[P@](=O)([O-])O	ZINC000003869603	574412067	/nfs/dbraw/zinc/41/20/67/574412067.db2.gz	BIRSGZKFKXLSJQ-STGXQOJASA-N	-2	2	276.134	-3.376	40	0	endogenous,in-vitro	CAABLL
O=C([O-])[C@@H](O)[C@@H](O)[C@@H](O)[C@@H](O)CO[P@@](=O)([O-])O	ZINC000003869602	574412078	/nfs/dbraw/zinc/41/20/78/574412078.db2.gz	BIRSGZKFKXLSJQ-FCAWWPLPSA-N	-2	2	276.134	-3.376	40	0	endogenous,in-vitro	CAABLL
O=C([O-])[C@@H](O)[C@@H](O)[C@@H](O)[C@@H](O)CO[P@](=O)([O-])O	ZINC000003869602	574412079	/nfs/dbraw/zinc/41/20/79/574412079.db2.gz	BIRSGZKFKXLSJQ-FCAWWPLPSA-N	-2	2	276.134	-3.376	40	0	endogenous,in-vitro	CAABLL
O=C([O-])CC[C@H](C(=O)[O-])[NH+](CC(=O)[O-])CC(=O)[O-]	ZINC000005112940	304060847	/nfs/dbraw/zinc/06/08/47/304060847.db2.gz	VCVKIIDXVWEWSZ-RXMQYKEDSA-N	-3	2	263.202	-1.224	40	0		CAABLL
O=C([O-])C[C@@H](O)[C@H](O)[C@H](O)CO[P@@](=O)([O-])O	ZINC000004887587	304074120	/nfs/dbraw/zinc/07/41/20/304074120.db2.gz	LTHDIZOWAIGONP-KODRXGBYSA-N	-2	2	260.135	-2.347	40	0		CAABLL
O=C([O-])C[C@@H](O)[C@H](O)[C@H](O)CO[P@](=O)([O-])O	ZINC000004887587	304074122	/nfs/dbraw/zinc/07/41/22/304074122.db2.gz	LTHDIZOWAIGONP-KODRXGBYSA-N	-2	2	260.135	-2.347	40	0		CAABLL
O=C1O[C@H]([C@@H](O)CO[P@@](=O)([O-])O)C([O-])=C1O	ZINC000100085175	372898576	/nfs/dbraw/zinc/89/85/76/372898576.db2.gz	KIENGQUGHPTFGC-JLAZNSOCSA-N	-2	2	256.103	-1.290	40	0	in-vitro	CAABLL
O=C1O[C@H]([C@@H](O)CO[P@](=O)([O-])O)C([O-])=C1O	ZINC000100085175	372898577	/nfs/dbraw/zinc/89/85/77/372898577.db2.gz	KIENGQUGHPTFGC-JLAZNSOCSA-N	-2	2	256.103	-1.290	40	0	in-vitro	CAABLL
O=C([O-])C[C@@H](O)[C@@H](O)[C@H](O)CO[P@@](=O)([O-])O	ZINC000004887589	170036183	/nfs/dbraw/zinc/03/61/83/170036183.db2.gz	LTHDIZOWAIGONP-ZMIZWQJLSA-N	-2	2	260.135	-2.347	40	0		CAABLL
O=C([O-])C[C@@H](O)[C@@H](O)[C@H](O)CO[P@](=O)([O-])O	ZINC000004887589	170036185	/nfs/dbraw/zinc/03/61/85/170036185.db2.gz	LTHDIZOWAIGONP-ZMIZWQJLSA-N	-2	2	260.135	-2.347	40	0		CAABLL
O=C([O-])[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO[P@@](=O)([O-])O	ZINC000003869604	574412094	/nfs/dbraw/zinc/41/20/94/574412094.db2.gz	BIRSGZKFKXLSJQ-MBMOQRBOSA-N	-2	2	276.134	-3.376	40	0	endogenous,in-vitro	CAABLL
O=C([O-])[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO[P@](=O)([O-])O	ZINC000003869604	574412095	/nfs/dbraw/zinc/41/20/95/574412095.db2.gz	BIRSGZKFKXLSJQ-MBMOQRBOSA-N	-2	2	276.134	-3.376	40	0	endogenous,in-vitro	CAABLL