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[C@H](O)[C@H](O)[C@H](O)[C@H](O)COP(=O)([O-])[O-]	ZINC000100067275	372898894	/nfs/dbraw/zinc/89/88/94/372898894.db2.gz	VFRROHXSMXFLSN-BGPJRJDNSA-N	-2	0	260.135	-3.262	50	30	in-vitro	CAEARL
N[C@H](C=O)[C@H](O)[C@@H](O)[C@@H](O)COP(=O)([O-])[O-]	ZINC000215934438	373214333	/nfs/dbraw/zinc/21/43/33/373214333.db2.gz	AEJSSXDYDSUOOZ-VANKVMQKSA-N	-2	0	259.151	-3.295	50	30		CAEARL
O=C[C@H](O)[C@H](O)[C@@H](O)[C@H](O)COP(=O)([O-])[O-]	ZINC000012503763	372788190	/nfs/dbraw/zinc/78/81/90/372788190.db2.gz	VFRROHXSMXFLSN-FSIIMWSLSA-N	-2	0	260.135	-3.262	50	30		CAEARL
O=C1[N-]C(=O)C(=Nc2c([O-])[nH]c(=O)[nH]c2=O)C(=O)N1	ZINC000001752873	372983430	/nfs/dbraw/zinc/98/34/30/372983430.db2.gz	VQTZGUYEOZNKQH-UHFFFAOYSA-N	-2	0	267.157	-3.472	50	30		CAEARL
O=C1N=C([O-])C(N=C2C(=O)[N-]C(=O)NC2=O)C([O-])=N1	ZINC000001680866	304655525	/nfs/dbraw/zinc/65/55/25/304655525.db2.gz	MUMMBXDKKJEASE-UHFFFAOYSA-N	-3	0	267.157	-1.952	50	30		CAEARL
N[C@H](C=O)[C@H](O)[C@@H](O)[C@H](O)COP(=O)([O-])[O-]	ZINC000255961850	328125638	/nfs/dbraw/zinc/12/56/38/328125638.db2.gz	AEJSSXDYDSUOOZ-ZXXMMSQZSA-N	-2	0	259.151	-3.295	50	30		CAEARL
O=C[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)COP(=O)([O-])[O-]	ZINC000100889630	372900655	/nfs/dbraw/zinc/90/06/55/372900655.db2.gz	VFRROHXSMXFLSN-BXKVDMCESA-N	-2	0	260.135	-3.262	50	30		CAEARL
N[C@H](C=O)[C@H](O)[C@H](O)[C@H](O)COP(=O)([O-])[O-]	ZINC000100657408	374029391	/nfs/dbraw/zinc/02/93/91/374029391.db2.gz	AEJSSXDYDSUOOZ-ARQDHWQXSA-N	-2	0	259.151	-3.295	50	30		CAEARL
O=C[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)COP(=O)([O-])[O-]	ZINC000002508229	374115965	/nfs/dbraw/zinc/11/59/65/374115965.db2.gz	VFRROHXSMXFLSN-KVTDHHQDSA-N	-2	0	260.135	-3.262	50	30	investigational	CAEARL
O=C[C@H](O)[C@H](O)[C@H](O)[C@@H](O)COP(=O)([O-])[O-]	ZINC000012503760	372787561	/nfs/dbraw/zinc/78/75/61/372787561.db2.gz	VFRROHXSMXFLSN-OMMKOOBNSA-N	-2	0	260.135	-3.262	50	30		CAEARL
N/C(=N\[O-])c1nonc1NCNc1nonc1/C(N)=N/[O-]	ZINC000022782433	171398689	/nfs/dbraw/zinc/39/86/89/171398689.db2.gz	PTLORDXSJLTLJR-UHFFFAOYSA-N	-2	0	298.223	-1.877	50	30		CAEARL
N[C@H](C=O)[C@H](O)[C@H](O)[C@@H](O)COP(=O)([O-])[O-]	ZINC000255961849	328125787	/nfs/dbraw/zinc/12/57/87/328125787.db2.gz	AEJSSXDYDSUOOZ-DPYQTVNSSA-N	-2	0	259.151	-3.295	50	30		CAEARL