smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN(C)N=Nc1cn([C@@H]2O[C@@H](CO)[C@@H](O)[C@H]2O)c(=O)[nH]c1=O	ZINC000104126510	372851854	/nfs/dbraw/zinc/85/18/54/372851854.db2.gz	MCVQMIXTMPTFSO-MPLAWVFGSA-N	0	0	315.286	-2.292	40	10		DACBRN
CN(C)N=Nc1cn([C@@H]2O[C@@H](CO)[C@@H](O)[C@H]2O)c(=O)[nH]c1=O	ZINC000104126504	372853440	/nfs/dbraw/zinc/85/34/40/372853440.db2.gz	MCVQMIXTMPTFSO-KSBCDKNQSA-N	0	0	315.286	-2.292	40	10		DACBRN
CC(=O)N[C@@H]1[C@@H](O)[C@@H](O)[C@@H](CO)O[C@@H]1Oc1ccc(N)cc1	ZINC000022048685	182306239	/nfs/dbraw/zinc/30/62/39/182306239.db2.gz	RWZITXGZJXXMRL-RGDJUOJXSA-N	0	0	312.322	-1.409	40	10	in-vitro	DACBRN
CN(C)N=Nc1cn([C@H]2O[C@@H](CO)[C@@H](O)[C@H]2O)c(=O)[nH]c1=O	ZINC000104126500	372853292	/nfs/dbraw/zinc/85/32/92/372853292.db2.gz	MCVQMIXTMPTFSO-PSDRRMSNSA-N	0	0	315.286	-2.292	40	10		DACBRN
NC(=O)c1c(N)[n+]([O-])c2cc(N3CCOCC3)c(F)cc2[n+]1[O-]	ZINC000004745394	279595359	/nfs/dbraw/zinc/59/53/59/279595359.db2.gz	ZRYZLBNTZQRHBG-UHFFFAOYSA-N	0	0	323.284	-1.237	40	10		DACBRN
[N-]=[N+]=NC[C@@H]1O[C@H](n2cnc3c2nc(N)[nH]c3=O)[C@H](O)[C@@H]1O	ZINC000005030599	181193195	/nfs/dbraw/zinc/19/31/95/181193195.db2.gz	IURRXTYHKBREQT-PXMDKTAGSA-N	0	0	308.258	-1.369	40	10		DACBRN
[N-]=[N+]=NC[C@@H]1O[C@H](n2cnc3c2nc(N)[nH]c3=O)[C@@H](O)[C@@H]1O	ZINC000005030605	181193340	/nfs/dbraw/zinc/19/33/40/181193340.db2.gz	IURRXTYHKBREQT-HFXAWCPLSA-N	0	0	308.258	-1.369	40	10		DACBRN
[N-]=[N+]=NC[C@@H]1O[C@@H](n2cnc3c2nc(N)[nH]c3=O)[C@@H](O)[C@@H]1O	ZINC000005030606	181193003	/nfs/dbraw/zinc/19/30/03/181193003.db2.gz	IURRXTYHKBREQT-FULWYAMNSA-N	0	0	308.258	-1.369	40	10		DACBRN
[N-]=[N+]=NC[C@@H]1O[C@@H](n2cnc3c2nc(N)[nH]c3=O)[C@H](O)[C@@H]1O	ZINC000005030600	296597580	/nfs/dbraw/zinc/59/75/80/296597580.db2.gz	IURRXTYHKBREQT-HAVMAKPUSA-N	0	0	308.258	-1.369	40	10		DACBRN
CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1Oc1ccc(N)cc1	ZINC000005138091	181208492	/nfs/dbraw/zinc/20/84/92/181208492.db2.gz	RWZITXGZJXXMRL-DHGKCCLASA-N	0	0	312.322	-1.409	40	10	in-vitro	DACBRN
CN(C)N=Nc1cn([C@H]2O[C@@H](CO)[C@@H](O)[C@H]2O)c(=O)[nH]c1=O	ZINC000104126495	372853370	/nfs/dbraw/zinc/85/33/70/372853370.db2.gz	MCVQMIXTMPTFSO-IOZZHTCVSA-N	0	0	315.286	-2.292	40	10		DACBRN