smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cc(OCC(=O)NCC[NH+]2CCOCC2)ccc1[N+](=O)[O-]	ZINC000070777445	435990490	/nfs/dbraw/zinc/99/04/90/435990490.db2.gz	WZEFZCXDQVOLQU-UHFFFAOYSA-N	1	2	339.348	0.431	40	5		ECBBLO
Cc1ccc(S(=O)(=O)NCCC[NH+]2CCOCC2)cc1[N+](=O)[O-]	ZINC000038283229	213206223	/nfs/dbraw/zinc/20/62/23/213206223.db2.gz	CDUNRQXTKKIRFF-UHFFFAOYSA-N	1	2	343.405	0.904	40	5		ECBBLO
O=[N+]([O-])c1ccc(N2CC[NH+](CCOCCO)CC2)c([N+](=O)[O-])c1	ZINC000055043994	132193302	/nfs/dbraw/zinc/19/33/02/132193302.db2.gz	PCKGDQQDSSOEMM-UHFFFAOYSA-N	1	2	340.336	0.634	40	5		ECBBLO
NNc1nc(Nc2ccc([N+](=O)[O-])cc2)nc(N2CCOCC2)[nH+]1	ZINC000016428722	436092652	/nfs/dbraw/zinc/09/26/52/436092652.db2.gz	VYVMAFHWPHRJPK-UHFFFAOYSA-N	1	2	332.324	0.646	40	5		ECBBLO
O=[N+]([O-])c1cccc(CS(=O)(=O)NCCC[NH+]2CCOCC2)c1	ZINC000022533276	212306159	/nfs/dbraw/zinc/30/61/59/212306159.db2.gz	WQBPRKDQEHIFEZ-UHFFFAOYSA-N	1	2	343.405	0.737	40	5		ECBBLO
COC(=O)c1cc([N+](=O)[O-])c(NN2CC[NH+](C)CC2)c([N+](=O)[O-])c1	ZINC000016189124	436086090	/nfs/dbraw/zinc/08/60/90/436086090.db2.gz	IDJJFRGFGWMLLO-UHFFFAOYSA-N	1	2	339.308	0.864	40	5		ECBBLO