smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cc2nc(-c3cc(NC(=O)c4ccc([N+](=O)[O-])o4)ccc3[O-])oc2cc1C	ZINC000000830450	570380630	/nfs/dbraw/zinc/38/06/30/570380630.db2.gz	CSMNWDFXVYCLGD-UHFFFAOYSA-N	-1	1	393.355	4.571	40	5		GJBBMM
Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)oc2ccccc23)cc1[N+](=O)[O-]	ZINC000223976048	570341602	/nfs/dbraw/zinc/34/16/02/570341602.db2.gz	UFEOJVFOWHEKTG-UHFFFAOYSA-N	-1	1	382.397	4.603	40	5		GJBBMM
Cc1ccc(NN=c2nc(C)c([N+](=O)[O-])c(N(C)c3ccccc3)[n-]2)cc1C	ZINC000005337669	570555644	/nfs/dbraw/zinc/55/56/44/570555644.db2.gz	VKRFGVJTCHSJQK-UHFFFAOYSA-N	-1	1	378.436	4.517	40	5		GJBBMM
Cc1ccc(COc2ccc([N+](=O)[O-])cc2C=C2SC(=S)[N-]C2=O)cc1	ZINC000016713216	221369452	/nfs/dbraw/zinc/36/94/52/221369452.db2.gz	QJZKGGOPPWJCEH-SXGWCWSVSA-N	-1	1	386.454	4.811	40	5		GJBBMM
COc1ccc(-c2ccc(-c3nc4sc(C)c(C)c4c(=O)[n-]3)o2)c([N+](=O)[O-])c1	ZINC000408734940	231107716	/nfs/dbraw/zinc/10/77/16/231107716.db2.gz	LSVSONUWXWEEJW-UHFFFAOYSA-N	-1	1	397.412	4.858	40	5		GJBBMM