smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[N+](C)(C)CO[P@@](=O)([O-])O[P@](=O)([O-])OC[C@@H]1O[C@@H](n2ccc(N)nc2=O)[C@@H](O)[C@H]1O	ZINC000008035111	562938727	/nfs/dbraw/zinc/93/87/27/562938727.db2.gz	NTUKWLVBPUVIED-PDEGPIFNSA-O	-1	0	475.308	-1.641	1	5		JABFRM
Cc1cc2nc3c(=O)[nH]c(=O)[nH]c3[n+](C[C@H](O)[C@H](O)[C@H](O)COP(=O)([O-])[O-])c2cc1C	ZINC000011524518	560211275	/nfs/dbraw/zinc/21/12/75/560211275.db2.gz	ANKZYBDXHMZBDK-SCRDCRAPSA-O	-1	0	457.356	-2.139	1	5	in-vitro	JABFRM
C[N+](C)(C)CO[P@@](=O)([O-])O[P@@](=O)([O-])OC[C@H]1O[C@@H](n2ccc(N)nc2=O)[C@H](O)[C@@H]1O	ZINC000013783280	562992778	/nfs/dbraw/zinc/99/27/78/562992778.db2.gz	NTUKWLVBPUVIED-HJQYOEGKSA-O	-1	0	475.308	-1.641	1	5		JABFRM
C[N+](C)(C)CCO[P@@](=O)([O-])O[P@@](=O)([O-])O[C@H]1O[C@@H](n2ccc(N)nc2=O)[C@H](O)[C@@H]1O	ZINC000040440356	563143840	/nfs/dbraw/zinc/14/38/40/563143840.db2.gz	QHMFEMKJMHEXGU-WRWGMCAJSA-O	-1	0	475.308	-1.641	1	5		JABFRM
Nc1nc2c(c(=O)[nH]1)n(Cc1cccc([N+](=O)[O-])c1)c[n+]2[C@@H]1O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]1O	ZINC000049069045	563201047	/nfs/dbraw/zinc/20/10/47/563201047.db2.gz	SUMJIKRGNXINOK-XNIJJKJLSA-O	-1	0	499.353	-1.721	1	5		JABFRM
C[N+](C)(C)CCO[P@@](=O)([O-])O[P@@](=O)([O-])OC[C@@H]1O[C@@H](n2ccc(N)nc2=O)[C@H](O)[C@H]1O	ZINC000053683467	717130509	/nfs/dbraw/zinc/13/05/09/717130509.db2.gz	RZZPDXZPRHQOCG-FTYKPCCVSA-O	-1	0	489.335	-1.599	1	5	in-vivo	JABFRM
NC(=O)[C@@H]1CCCCNc2c(F)cc([N+](=O)[O-])cc2C(=O)N[C@@H](CC(=O)[O-])C(=O)NCC(=O)N1	ZINC000008829336	562955025	/nfs/dbraw/zinc/95/50/25/562955025.db2.gz	NQKAKKPKADPFDA-STQMWFEESA-N	-1	0	482.425	-1.011	3	5		JABFRM