smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COC(=O)COc1ccc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[n-]2)cc1Br	ZINC000409352992	557080343	/nfs/dbraw/zinc/08/03/43/557080343.db2.gz	ZSXFTZJNAYZMHF-HYXAFXHYSA-N	-2	1	426.179	2.281	40	5		IEBBML
O=c1[n-]c(=O)c([N+](=O)[O-])c(C=Cc2cc(Br)c([O-])c(Br)c2[O-])[nH]1	ZINC000108989760	569253387	/nfs/dbraw/zinc/25/33/87/569253387.db2.gz	BQDOGQKGQSEBRN-OWOJBTEDSA-N	-3	1	449.011	2.078	40	5		IEBBML
Cc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3ncccn3)cc2)cc1[N+](=O)[O-]	ZINC000020110605	569334375	/nfs/dbraw/zinc/33/43/75/569334375.db2.gz	AVMUACAUXUDJEP-UHFFFAOYSA-N	-2	1	449.470	2.295	40	5		IEBBML
COc1cc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[n-]2)cc(I)c1O	ZINC000409329296	557063403	/nfs/dbraw/zinc/06/34/03/557063403.db2.gz	DLXLISJJNTWGHR-IHWYPQMZSA-N	-2	1	431.142	2.285	40	5		IEBBML
CCOC(=O)COc1ccc(Br)cc1C=Cc1nc([O-])c([N+](=O)[O-])c(=O)[n-]1	ZINC000098031145	557032390	/nfs/dbraw/zinc/03/23/90/557032390.db2.gz	NFCZKBZISYAGPP-UTCJRWHESA-N	-2	1	440.206	2.259	40	5		IEBBML
COC(=O)COc1ccc(Br)cc1C=Cc1nc([O-])c([N+](=O)[O-])c(=O)[n-]1	ZINC000409344404	557071510	/nfs/dbraw/zinc/07/15/10/557071510.db2.gz	JDCCTGJARNESQK-DJWKRKHSSA-N	-2	1	426.179	2.281	40	5		IEBBML
COc1cc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[n-]2)cc(I)c1OC	ZINC000098031667	557032426	/nfs/dbraw/zinc/03/24/26/557032426.db2.gz	WQJMZAAVYHESRT-ARJAWSKDSA-N	-2	1	445.169	2.176	40	5		IEBBML