smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C1[N-]C(=O)C(=N[N-]c2cc3c(cc2[N+](=O)[O-])OCO3)C(=O)N1	ZINC000004018729	181063041	/nfs/dbraw/zinc/06/30/41/181063041.db2.gz	OSHRTFTVBXNDGC-UHFFFAOYSA-N	-2	1	321.205	0.298	50	30		DCEAML
O=C([O-])Cc1sc(NN=Cc2cccc([N+](=O)[O-])c2)nc1[O-]	ZINC000003087874	395682308	/nfs/dbraw/zinc/68/23/08/395682308.db2.gz	LMSUOHVDSOQMOE-UWZPUTRXSA-N	-2	1	322.302	0.991	50	30		DCEAML
N#Cc1cccc(S(=O)(=O)[N-]c2nc3ncnc-3c(O)[n-]2)c1	ZINC000028249514	415176395	/nfs/dbraw/zinc/17/63/95/415176395.db2.gz	VDFMBZNJQGHVCS-UHFFFAOYSA-N	-2	1	316.302	0.731	50	30		DCEAML
O=C([O-])c1cc(N/N=C2/C(=O)[N-]C(=S)NC2=O)ccc1O	ZINC000002406839	395681555	/nfs/dbraw/zinc/68/15/55/395681555.db2.gz	OKIYLTLVQJHHCB-UHFFFAOYSA-N	-2	1	308.275	0.230	50	30		DCEAML
O=C([O-])c1cc(N/N=C2\C(=O)[N-]C(=S)NC2=O)ccc1O	ZINC000002406839	395681556	/nfs/dbraw/zinc/68/15/56/395681556.db2.gz	OKIYLTLVQJHHCB-UHFFFAOYSA-N	-2	1	308.275	0.230	50	30		DCEAML
COc1cc(C=NNc2nc([O-])c(CC(=O)[O-])s2)ccc1O	ZINC000005906757	181295025	/nfs/dbraw/zinc/29/50/25/181295025.db2.gz	JDQHAKNYMPBAMS-XPWNQWCVSA-N	-2	1	323.330	0.797	50	30		DCEAML