smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc1[N+](=O)[O-]	ZINC000005086502	554486601	/nfs/dbraw/zinc/48/66/01/554486601.db2.gz	VLPFQASRAXCWLQ-NSHDSACASA-N	-2	0	499.444	0.177	40	5		JCBBRL
CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc1[N+](=O)[O-]	ZINC000008628656	523501937	/nfs/dbraw/zinc/50/19/37/523501937.db2.gz	VLPFQASRAXCWLQ-LLVKDONJSA-N	-2	0	499.444	0.177	40	5		JCBBRL
O=c1cc2ncc(-c3[nH]nc(-c4n[nH]c(-c5cnc6cc(=O)[n-]n6c5)c4[N+](=O)[O-])c3[N+](=O)[O-])cn2[n-]1	ZINC000008763917	554664396	/nfs/dbraw/zinc/66/43/96/554664396.db2.gz	DUSYFQZLFGHDFT-UHFFFAOYSA-N	-2	0	490.356	0.622	40	5		JCBBRL
[NH3+]CCCC(=O)N1CCc2c1c([N+](=O)[O-])ccc2OC(COP(=O)([O-])[O-])COP(=O)([O-])[O-]	ZINC000034809184	569661364	/nfs/dbraw/zinc/66/13/64/569661364.db2.gz	QLCHBTSDKGMLRN-UHFFFAOYSA-N	-3	0	499.306	0.189	40	5	in-vitro	JCBBRL
O=c1[n-]n2cc(-c3n[nH]c(-c4cnc5c([N+](=O)[O-])c(=O)[n-]n5c4)c3[N+](=O)[O-])cnc2c1[N+](=O)[O-]	ZINC000104132582	569841813	/nfs/dbraw/zinc/84/18/13/569841813.db2.gz	YOKAYDJGLFBBTG-UHFFFAOYSA-N	-2	0	469.290	0.140	40	5		JCBBRL