smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=c1[n-]c(C=Cc2ccc(OCc3ccc(Cl)cc3)c(Br)c2)nc([O-])c1[N+](=O)[O-]	ZINC000409327096	570202440	/nfs/dbraw/zinc/20/24/40/570202440.db2.gz	HWKGUAUOVMUYQQ-YWEYNIOJSA-N	-2	1	478.686	4.961	40	5		JJBBML
O=C([O-])C(=Cc1cc([N+](=O)[O-])cc(Br)c1[O-])Sc1nc(-c2ccc(Cl)cc2)n[nH]1	ZINC000408633892	569984834	/nfs/dbraw/zinc/98/48/34/569984834.db2.gz	MVIIFRMSDNSPCC-MLPAPPSSSA-N	-2	1	497.714	4.719	40	5		JJBBML
O=C([O-])C(=Cc1cc(Br)c([O-])c([N+](=O)[O-])c1)Sc1nc(-c2ccc(Cl)cc2)n[nH]1	ZINC000408633881	569984844	/nfs/dbraw/zinc/98/48/44/569984844.db2.gz	MRXXNHQBDDVUQA-QPEQYQDCSA-N	-2	1	497.714	4.719	40	5		JJBBML
Cc1ccc(-n2c(SCC(=O)Nc3ccc([N+](=O)[O-])cc3O)nnc2-c2ccccc2O)c(C)c1	ZINC000038160611	569799551	/nfs/dbraw/zinc/79/95/51/569799551.db2.gz	WQLIGUCQBMUOHA-UHFFFAOYSA-N	-2	1	491.529	4.601	40	5		JJBBML
O=C([O-])C(=Cc1cc(Br)cc([N+](=O)[O-])c1[O-])Sc1nc(-c2ccc(Cl)cc2)n[nH]1	ZINC000408632027	569983493	/nfs/dbraw/zinc/98/34/93/569983493.db2.gz	CQGICBNXINOSGO-MLPAPPSSSA-N	-2	1	497.714	4.719	40	5		JJBBML
CCOc1cc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[n-]2)cc(Br)c1OCc1ccccc1	ZINC000409328400	570202955	/nfs/dbraw/zinc/20/29/55/570202955.db2.gz	UJWCPSWTCRAUCB-HJWRWDBZSA-N	-2	1	488.294	4.707	40	5		JJBBML
Cc1ccc(S(=O)(=O)[N-]c2ccc3oc(-c4ccccc4)c(C(=O)[O-])c3c2)cc1[N+](=O)[O-]	ZINC000011615805	555791930	/nfs/dbraw/zinc/79/19/30/555791930.db2.gz	BZELKXNCEXQTJA-UHFFFAOYSA-N	-2	1	452.444	4.815	40	5		JJBBML