smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(=O)[N-]S(=O)(=O)c1ccc([N-]N=C2C(=O)N(c3ccccc3)N(c3ccccc3)C2=O)cc1	ZINC000001563189	194128011	/nfs/dbraw/zinc/12/80/11/194128011.db2.gz	JATLLOZTRRHIRM-UHFFFAOYSA-N	-2	3	477.502	2.274	40	30		JEEBHL
Cn1c(=O)c(-c2[n-][nH]c(=O)c2N=Nc2ccc(I)cc2)c([O-])c2ccccc21	ZINC000100353766	569757895	/nfs/dbraw/zinc/75/78/95/569757895.db2.gz	LZFOLNCQAPEUIQ-UHFFFAOYSA-N	-2	3	487.257	2.151	40	30		JEEBHL
NC(=O)CSc1nnc(NN=Cc2cc(Br)c([O-])c(Br)c2)[n-]1	ZINC000020428742	526900992	/nfs/dbraw/zinc/90/09/92/526900992.db2.gz	ZIAFPECKBQINLR-CRKCGEKBSA-N	-2	3	450.116	2.059	40	30		JEEBHL
NC(=O)CSc1nnc([N-][NH+]=Cc2cc(Br)c([O-])c(Br)c2)[n-]1	ZINC000020428742	526900994	/nfs/dbraw/zinc/90/09/94/526900994.db2.gz	ZIAFPECKBQINLR-CRKCGEKBSA-N	-2	3	450.116	2.059	40	30		JEEBHL
O=[N+]([O-])c1cccc(S(=O)(=O)[N-]/N=C/c2cc(I)cc([N+](=O)[O-])c2[O-])c1	ZINC000005810034	554494483	/nfs/dbraw/zinc/49/44/83/554494483.db2.gz	OYVGPXQWKHJMEK-VIZOYTHASA-N	-2	3	492.207	2.126	40	30		JEEBHL
O=[N+]([O-])c1cccc(S(=O)(=O)[N-]/N=C\c2cc(I)cc([N+](=O)[O-])c2[O-])c1	ZINC000017187298	556235495	/nfs/dbraw/zinc/23/54/95/556235495.db2.gz	OYVGPXQWKHJMEK-CHHVJCJISA-N	-2	3	492.207	2.126	40	30		JEEBHL