smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Fc1ccc(-c2nc3ccccc3c3[nH+]c4ccccc4n32)cc1	ZINC000000261921	563582873	/nfs/dbraw/zinc/58/28/73/563582873.db2.gz	VTSLPZQQSODKMR-UHFFFAOYSA-N	1	2	313.335	4.842	50	5		DJBALO
Cc1[nH+]c(C)c(Cl)c(Nc2ccc([N+](=O)[O-])cc2)c1Cl	ZINC000005570464	181258283	/nfs/dbraw/zinc/25/82/83/181258283.db2.gz	VXDLFBGGGZZASK-UHFFFAOYSA-N	1	2	312.156	4.657	50	5		DJBALO
Fc1ccccc1-c1nc2ccccc2c2[nH+]c3ccccc3n21	ZINC000000405110	563251719	/nfs/dbraw/zinc/25/17/19/563251719.db2.gz	QAYWXEJERAUQRM-UHFFFAOYSA-N	1	2	313.335	4.842	50	5		DJBALO
O=[N+]([O-])c1ccc(-c2[nH+]c(-c3ccccc3)c3ccccn32)cc1	ZINC000000193792	563576609	/nfs/dbraw/zinc/57/66/09/563576609.db2.gz	BPPLNPAGKFDICU-UHFFFAOYSA-N	1	2	315.332	4.577	50	5		DJBALO
Fc1cccc(-c2nc3ccccc3c3[nH+]c4ccccc4n32)c1	ZINC000000580083	563267915	/nfs/dbraw/zinc/26/79/15/563267915.db2.gz	FGZFKVXRFAZNSC-UHFFFAOYSA-N	1	2	313.335	4.842	50	5		DJBALO
Cc1c(C)n(C2CCCC2)c2ncn3c4ccccc4[nH+]c3c12	ZINC000005451098	181244554	/nfs/dbraw/zinc/24/45/54/181244554.db2.gz	XPRJLHPTRCWWTR-UHFFFAOYSA-N	1	2	304.397	4.569	50	5		DJBALO