smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)c1cccc(C(C)C)c1NC(=O)c1cccc([N+](=O)[O-])c1	ZINC000003552362	210052851	/nfs/dbraw/zinc/05/28/51/210052851.db2.gz	DWXGYEFSVWVHDI-UHFFFAOYSA-N	0	0	326.396	5.094	20	5		EKBDRN
Nc1cccc(-c2cc(-c3ccccc3)c3cc([N+](=O)[O-])ccc3n2)c1	ZINC000007848100	210855266	/nfs/dbraw/zinc/85/52/66/210855266.db2.gz	WYJZVJTYQMMHIC-UHFFFAOYSA-N	0	0	341.370	5.059	20	5		EKBDRN
O=[N+]([O-])c1ccc(SCc2cc(-c3ccc(Cl)cc3)no2)cc1	ZINC000023103478	202098071	/nfs/dbraw/zinc/09/80/71/202098071.db2.gz	DFJSEUATIVISKM-UHFFFAOYSA-N	0	0	346.795	5.196	20	5		EKBDRN
Cc1cc(Cl)ccc1NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1	ZINC000023120558	202098326	/nfs/dbraw/zinc/09/83/26/202098326.db2.gz	GBXWBDDKMIGNEI-UHFFFAOYSA-N	0	0	346.795	5.024	20	5		EKBDRN
Cc1c(Cl)cccc1NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1	ZINC000023120616	212350664	/nfs/dbraw/zinc/35/06/64/212350664.db2.gz	POQHZYBAJPGJSH-UHFFFAOYSA-N	0	0	346.795	5.024	20	5		EKBDRN
CC(C)c1ccccc1NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1	ZINC000023125350	212350556	/nfs/dbraw/zinc/35/05/56/212350556.db2.gz	WUMXMTRXXRUNQG-UHFFFAOYSA-N	0	0	340.404	5.185	20	5		EKBDRN
CC(=O)c1c(C)cc(C)c(CSc2ccc([N+](=O)[O-])cc2)c1C	ZINC000024072040	212407060	/nfs/dbraw/zinc/40/70/60/212407060.db2.gz	CNIQNJAIRCBUHO-UHFFFAOYSA-N	0	0	329.421	5.015	20	5		EKBDRN
Cc1cccc2sc(C(=O)Nc3cccc([N+](=O)[O-])c3)c(Cl)c21	ZINC000025464741	202132496	/nfs/dbraw/zinc/13/24/96/202132496.db2.gz	XRBSCBPIJOFUAT-UHFFFAOYSA-N	0	0	346.795	5.024	20	5		EKBDRN
O=[N+]([O-])c1ccc(SCc2csc(-c3ccc(F)cc3)n2)cc1	ZINC000036735316	202330422	/nfs/dbraw/zinc/33/04/22/202330422.db2.gz	HTHZOXUTOITMCI-UHFFFAOYSA-N	0	0	346.408	5.150	20	5		EKBDRN