smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C(NCc1nnn[n-]1)c1cc(=O)n(-c2ccccc2)[n-]1	ZINC001147890045	814925234	/nfs/dbraw/zinc/92/52/34/814925234.db2.gz	XFKZBTYUKKDTKH-UHFFFAOYSA-N	-2	0	285.267	-0.391	20	10		CBCDRL
Cn1[n-]nnc1=NC(=O)c1cc(=O)n(-c2ccccc2)[n-]1	ZINC001147878731	814922029	/nfs/dbraw/zinc/92/20/29/814922029.db2.gz	QLJDEFSFBHRZJD-UHFFFAOYSA-N	-2	0	285.267	-0.637	20	10		CBCDRL
O=C(NCS(=O)(=O)[O-])c1cc(=O)n(-c2ccccc2)[n-]1	ZINC001147889841	814923934	/nfs/dbraw/zinc/92/39/34/814923934.db2.gz	SZVYEBYRICJKCO-UHFFFAOYSA-N	-2	0	297.292	-0.259	20	10		CBCDRL
O=C([O-])CNC(=O)C[NH2+]Cc1cc(F)cc(F)c1[O-]	ZINC001262163848	826646155	/nfs/dbraw/zinc/64/61/55/826646155.db2.gz	JWLVNNYTYQHFGV-UHFFFAOYSA-N	-2	0	274.223	-0.039	20	10		CBCDRL
O=C(NCCOP(=O)([O-])[O-])c1cccc(O)c1O	ZINC001148220028	814935229	/nfs/dbraw/zinc/93/52/29/814935229.db2.gz	LSPUWVRBPQWMTK-UHFFFAOYSA-N	-2	0	277.169	-0.063	20	10		CBCDRL
O=C(N[C@@H]1CO[N-]C1=O)c1cc(O)c([O-])c(Cl)c1	ZINC001193626564	824040780	/nfs/dbraw/zinc/04/07/80/824040780.db2.gz	WZBDRJFITZQLIP-ZCFIWIBFSA-N	-2	0	272.644	-0.089	20	10		CBCDRL
O=C(N[C@@H]1CO[N-]C1=O)c1cc(=O)n(-c2ccccc2)[n-]1	ZINC001147889538	814923764	/nfs/dbraw/zinc/92/37/64/814923764.db2.gz	LJQZXITZZWLWDX-SNVBAGLBSA-N	-2	0	288.263	-0.675	20	10		CBCDRL