smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCN1CCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])cc([O-])c1OC	ZINC000064453451	184297585	/nfs/dbraw/zinc/29/75/85/184297585.db2.gz	YFBWUDLPVMDGDF-JTQLQIEISA-N	-1	3	323.349	1.523	1	5		DDBFHM
COc1cc2n(C)c3cc(OC)c(N)cc3c([O-])c-2c(=O)c1	ZINC000040951780	183150974	/nfs/dbraw/zinc/15/09/74/183150974.db2.gz	SDQANWDUEICHBQ-UHFFFAOYSA-N	-1	3	300.314	1.997	1	5		DDBFHM
COc1cc([O-])c2c(c1)n(C)c1cc(OC)c(N)cc1c2=O	ZINC000040951780	183150977	/nfs/dbraw/zinc/15/09/77/183150977.db2.gz	SDQANWDUEICHBQ-UHFFFAOYSA-N	-1	3	300.314	1.997	1	5		DDBFHM
CCOC(=O)Cc1n[n-]c(NC(=O)c2ccc([N+](=O)[O-])cc2)n1	ZINC000040404736	183062221	/nfs/dbraw/zinc/06/22/21/183062221.db2.gz	XSMMAYGJQXQJKL-UHFFFAOYSA-N	-1	3	319.277	1.071	1	5		DDBFHM
CCOC(=O)Cc1nnc(NC(=O)c2ccc([N+](=O)[O-])cc2)[n-]1	ZINC000040404736	183062223	/nfs/dbraw/zinc/06/22/23/183062223.db2.gz	XSMMAYGJQXQJKL-UHFFFAOYSA-N	-1	3	319.277	1.071	1	5		DDBFHM
CCOC(=O)Cc1nc(NC(=O)c2ccc([N+](=O)[O-])cc2)n[n-]1	ZINC000040404736	183062224	/nfs/dbraw/zinc/06/22/24/183062224.db2.gz	XSMMAYGJQXQJKL-UHFFFAOYSA-N	-1	3	319.277	1.071	1	5		DDBFHM
CC(C)COc1ccc(-c2cc(=O)[n-]c(N)n2)cc1[N+](=O)[O-]	ZINC000095561820	185379931	/nfs/dbraw/zinc/37/99/31/185379931.db2.gz	YNTTUUBVLJGUKI-UHFFFAOYSA-N	-1	3	304.306	1.962	1	5		DDBFHM