smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[P@](=O)([O-])O)[C@@H](NC(=O)[C@@H]([NH3+])Cc2ccc(O)cc2)[C@H]1O	ZINC000004097314	560194575	/nfs/dbraw/zinc/19/45/75/560194575.db2.gz	KFKVKJLSMMCPPC-YCOMJZELSA-N	0	2	509.416	-1.464	10	0	in-vitro	KAAELN
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[P@@](=O)([O-])O)[C@@H](NC(=O)[C@@H]([NH3+])Cc2ccc(O)cc2)[C@H]1O	ZINC000004097314	560194573	/nfs/dbraw/zinc/19/45/73/560194573.db2.gz	KFKVKJLSMMCPPC-YCOMJZELSA-N	0	2	509.416	-1.464	10	0	in-vitro	KAAELN
C[C@H]1COc2c(N3CC[NH+](C)CC3)c(F)cc3c(=O)c(C(=O)O[C@@H]4O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]4O)cn1c32	ZINC000077301784	553661334	/nfs/dbraw/zinc/66/13/34/553661334.db2.gz	GACUZKDACXKMSN-VVQRKAEQSA-N	0	2	537.497	-1.105	10	0	in-vitro	KAAELN
C[C@@H]1COc2c(N3CC[NH+](C)CC3)c(F)cc3c(=O)c(C(=O)O[C@@H]4O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]4O)cn1c32	ZINC000077312038	553663319	/nfs/dbraw/zinc/66/33/19/553663319.db2.gz	GACUZKDACXKMSN-QKMDDNPUSA-N	0	2	537.497	-1.105	10	0	in-vitro	KAAELN