smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=[N+]([O-])c1ccc(/C=C(/Br)c2ccc([N+](=O)[O-])cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1	ZINC000004265830	552454644	/nfs/dbraw/zinc/45/46/44/552454644.db2.gz	GKZGDBPAYJJFFF-LFYBBSHMSA-N	-2	0	509.268	2.889	40	5		KFBBRL
O=C([O-])c1cc(S(=O)(=O)[N-]N2C(=O)/C(=C/c3ccc([N+](=O)[O-])cc3)N=C2c2ccccc2)ccc1O	ZINC000008873416	553174892	/nfs/dbraw/zinc/17/48/92/553174892.db2.gz	NHIHZIGHSSJEOE-UNOMPAQXSA-N	-2	0	508.468	2.522	40	5		KFBBRL
CC(=O)Nc1ccc(S(=O)(=O)[N-]N2C(=O)/C(=C/c3ccc([N+](=O)[O-])cc3)N=C2c2ccccc2)cc1C(=O)[O-]	ZINC000100069826	554200685	/nfs/dbraw/zinc/20/06/85/554200685.db2.gz	FOCNNMVFILIGNR-XKZIYDEJSA-N	-2	0	549.521	2.775	40	5		KFBBRL
O=[N+]([O-])c1cc([N+](=O)[O-])c([N-]c2nc3nonc3nc2[N-]c2c([N+](=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])c([N+](=O)[O-])c1	ZINC000100926201	554523973	/nfs/dbraw/zinc/52/39/73/554523973.db2.gz	SXJIUSUAMRIIET-UHFFFAOYSA-N	-2	0	574.295	2.949	40	5		KFBBRL
O=c1[n-]c(=O)c([N+](=O)[O-])c(C=Cc2cc(I)cc(I)c2[O-])[nH]1	ZINC000104926835	571387996	/nfs/dbraw/zinc/38/79/96/571387996.db2.gz	CFVAWKCMSDPGRU-OWOJBTEDSA-N	-2	0	527.012	2.881	40	5		KFBBRL
COc1cc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[n-]2)ccc1OCC(=O)Nc1ccc(N2CCOCC2)cc1	ZINC000408606130	572274718	/nfs/dbraw/zinc/27/47/18/572274718.db2.gz	OLRQRJDHBYQMDC-YCRREMRBSA-N	-2	0	523.502	2.829	40	5		KFBBRL
O=c1[n-]c(=O)c([N+](=O)[O-])c(C=Cc2cc(I)c([O-])c(I)c2)[nH]1	ZINC000409306330	1059725442	/nfs/dbraw/zinc/72/54/42/1059725442.db2.gz	ZNOCFFFUWPYONT-UPHRSURJSA-N	-2	0	527.012	2.881	40	5		KFBBRL
O=c1[nH]c(C=Cc2cc(I)c([O-])c(I)c2)nc([O-])c1[N+](=O)[O-]	ZINC000409352051	1059728821	/nfs/dbraw/zinc/72/88/21/1059728821.db2.gz	VWJHXPYHHBOWCB-UPHRSURJSA-N	-2	0	527.012	2.881	40	5		KFBBRL