smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CSC1=NS(=O)(=O)c2cc([N+](=O)[O-])ccc2N1C	ZINC000015444372	374921091	/nfs/dbraw/zinc/92/10/91/374921091.db2.gz	WVCWKASXEFWTPX-UHFFFAOYSA-N	0	0	287.322	1.452	30	5		CDBCRN
Cc1ccc(S(=O)(=O)c2c([N+](=O)[O-])ncn2C)cc1	ZINC000005634871	363372074	/nfs/dbraw/zinc/37/20/74/363372074.db2.gz	DWIFYVQUMRFIPP-UHFFFAOYSA-N	0	0	281.293	1.470	30	5		CDBCRN
Cc1nc2c([N+](=O)[O-])cccn2c1-c1csc(=NN)[nH]1	ZINC000004244084	279110308	/nfs/dbraw/zinc/11/03/08/279110308.db2.gz	BEICTZPPBBPKOU-UHFFFAOYSA-N	0	0	290.308	1.960	30	5		CDBCRN
COC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1OC	ZINC000214476228	1175810094	/nfs/dbraw/zinc/81/00/94/1175810094.db2.gz	SGHKADDRNOIRKA-UHFFFAOYSA-N	0	0	270.197	1.607	30	5		CDBCRN
Cc1nc2ccc([N+](=O)[O-])cn2c1-c1csc(=NN)[nH]1	ZINC000004244076	282071811	/nfs/dbraw/zinc/07/18/11/282071811.db2.gz	GZAPBGDLJZFFLP-UHFFFAOYSA-N	0	0	290.308	1.960	30	5		CDBCRN