smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
NOc1[nH]c(=O)[nH]c(=O)c1/N=C1/C(=O)[N-]C(=O)NC1=O	ZINC000038322162	372779971	/nfs/dbraw/zinc/77/99/71/372779971.db2.gz	HZRQHQKDQSVFMQ-UHFFFAOYSA-N	-1	2	282.172	-1.993	50	30		CAEALM
NOc1[nH]c(=O)[nH]c(=O)c1/N=C1\C(=O)[N-]C(=O)NC1=O	ZINC000038322162	372779983	/nfs/dbraw/zinc/77/99/83/372779983.db2.gz	HZRQHQKDQSVFMQ-UHFFFAOYSA-N	-1	2	282.172	-1.993	50	30		CAEALM
O=C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO[P@@](=O)([O-])O	ZINC000019850142	372797397	/nfs/dbraw/zinc/79/73/97/372797397.db2.gz	VFRROHXSMXFLSN-SLPGGIOYSA-N	-1	2	260.135	-3.262	50	30	in-vitro,metabolite	CAEALM
O=C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO[P@](=O)([O-])O	ZINC000019850142	372797406	/nfs/dbraw/zinc/79/74/06/372797406.db2.gz	VFRROHXSMXFLSN-SLPGGIOYSA-N	-1	2	260.135	-3.262	50	30	in-vitro,metabolite	CAEALM
O=C[C@H](O)[C@H](O)[C@H](O)[C@H](O)CO[P@@](=O)([O-])O	ZINC000100067275	372898903	/nfs/dbraw/zinc/89/89/03/372898903.db2.gz	VFRROHXSMXFLSN-BGPJRJDNSA-N	-1	2	260.135	-3.262	50	30	in-vitro	CAEALM
O=C[C@H](O)[C@H](O)[C@H](O)[C@H](O)CO[P@](=O)([O-])O	ZINC000100067275	372898907	/nfs/dbraw/zinc/89/89/07/372898907.db2.gz	VFRROHXSMXFLSN-BGPJRJDNSA-N	-1	2	260.135	-3.262	50	30	in-vitro	CAEALM
[NH3+][C@H](C=O)[C@H](O)[C@@H](O)[C@@H](O)COP(=O)([O-])[O-]	ZINC000215934438	373214353	/nfs/dbraw/zinc/21/43/53/373214353.db2.gz	AEJSSXDYDSUOOZ-VANKVMQKSA-N	-1	2	259.151	-3.295	50	30		CAEALM
O=C[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)CO[P@@](=O)([O-])O	ZINC000104861723	186028897	/nfs/dbraw/zinc/02/88/97/186028897.db2.gz	VFRROHXSMXFLSN-VANKVMQKSA-N	-1	2	260.135	-3.262	50	30		CAEALM
O=C[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)CO[P@](=O)([O-])O	ZINC000104861723	186028899	/nfs/dbraw/zinc/02/88/99/186028899.db2.gz	VFRROHXSMXFLSN-VANKVMQKSA-N	-1	2	260.135	-3.262	50	30		CAEALM
O=C[C@H](O)[C@H](O)[C@@H](O)[C@H](O)CO[P@@](=O)([O-])O	ZINC000012503763	372788197	/nfs/dbraw/zinc/78/81/97/372788197.db2.gz	VFRROHXSMXFLSN-FSIIMWSLSA-N	-1	2	260.135	-3.262	50	30		CAEALM
O=C[C@H](O)[C@H](O)[C@@H](O)[C@H](O)CO[P@](=O)([O-])O	ZINC000012503763	372788203	/nfs/dbraw/zinc/78/82/03/372788203.db2.gz	VFRROHXSMXFLSN-FSIIMWSLSA-N	-1	2	260.135	-3.262	50	30		CAEALM
[NH3+][C@H](C=O)[C@H](O)[C@@H](O)[C@H](O)COP(=O)([O-])[O-]	ZINC000255961850	328125639	/nfs/dbraw/zinc/12/56/39/328125639.db2.gz	AEJSSXDYDSUOOZ-ZXXMMSQZSA-N	-1	2	259.151	-3.295	50	30		CAEALM
O=C[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)CO[P@@](=O)([O-])O	ZINC000100889630	372900669	/nfs/dbraw/zinc/90/06/69/372900669.db2.gz	VFRROHXSMXFLSN-BXKVDMCESA-N	-1	2	260.135	-3.262	50	30		CAEALM
O=C[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)CO[P@](=O)([O-])O	ZINC000100889630	372900677	/nfs/dbraw/zinc/90/06/77/372900677.db2.gz	VFRROHXSMXFLSN-BXKVDMCESA-N	-1	2	260.135	-3.262	50	30		CAEALM
[NH3+][C@H](C=O)[C@H](O)[C@H](O)[C@H](O)COP(=O)([O-])[O-]	ZINC000100657408	374029410	/nfs/dbraw/zinc/02/94/10/374029410.db2.gz	AEJSSXDYDSUOOZ-ARQDHWQXSA-N	-1	2	259.151	-3.295	50	30		CAEALM
O=C[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO[P@@](=O)([O-])O	ZINC000002508229	374115973	/nfs/dbraw/zinc/11/59/73/374115973.db2.gz	VFRROHXSMXFLSN-KVTDHHQDSA-N	-1	2	260.135	-3.262	50	30	investigational	CAEALM
O=C[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO[P@](=O)([O-])O	ZINC000002508229	374115979	/nfs/dbraw/zinc/11/59/79/374115979.db2.gz	VFRROHXSMXFLSN-KVTDHHQDSA-N	-1	2	260.135	-3.262	50	30	investigational	CAEALM
O=C[C@H](O)[C@H](O)[C@H](O)[C@@H](O)CO[P@@](=O)([O-])O	ZINC000012503760	372787576	/nfs/dbraw/zinc/78/75/76/372787576.db2.gz	VFRROHXSMXFLSN-OMMKOOBNSA-N	-1	2	260.135	-3.262	50	30		CAEALM
O=C[C@H](O)[C@H](O)[C@H](O)[C@@H](O)CO[P@](=O)([O-])O	ZINC000012503760	372787584	/nfs/dbraw/zinc/78/75/84/372787584.db2.gz	VFRROHXSMXFLSN-OMMKOOBNSA-N	-1	2	260.135	-3.262	50	30		CAEALM
[NH3+][C@H](C=O)[C@H](O)[C@H](O)[C@@H](O)COP(=O)([O-])[O-]	ZINC000255961849	328125789	/nfs/dbraw/zinc/12/57/89/328125789.db2.gz	AEJSSXDYDSUOOZ-DPYQTVNSSA-N	-1	2	259.151	-3.295	50	30		CAEALM