smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccc([N-]S(=O)(=O)c2ccc(Br)cc2)cc1-c1ccc(C(=O)[O-])o1	ZINC000226353298	556684821	/nfs/dbraw/zinc/68/48/21/556684821.db2.gz	NXGLWHDJEZEBNU-UHFFFAOYSA-N	-2	1	436.283	4.517	40	0		IJABML
Cc1c([N-]S(=O)(=O)c2ccc(Br)cc2)cccc1-c1ccc(C(=O)[O-])o1	ZINC000226353266	556684864	/nfs/dbraw/zinc/68/48/64/556684864.db2.gz	OXEBKWFEHHRDQB-UHFFFAOYSA-N	-2	1	436.283	4.517	40	0		IJABML
CCOc1cc(-c2nc3sc4c(c3c(=O)[n-]2)CCCCCC4)ccc1OCC(=O)[O-]	ZINC000104546743	569250375	/nfs/dbraw/zinc/25/03/75/569250375.db2.gz	QCYUNQMDUYEZTO-UHFFFAOYSA-N	-2	1	428.510	4.585	40	0		IJABML
Cc1ccc(S(=O)(=O)[N-]c2cc(Br)ccc2-c2ccc(C(=O)[O-])o2)cc1	ZINC000226353625	556684808	/nfs/dbraw/zinc/68/48/08/556684808.db2.gz	YRXZIGMNXYRSLY-UHFFFAOYSA-N	-2	1	436.283	4.517	40	0		IJABML
Cc1ccc(-c2ccc(C(=O)[O-])o2)cc1[N-]S(=O)(=O)c1ccc(Br)cc1	ZINC000226353195	556684901	/nfs/dbraw/zinc/68/49/01/556684901.db2.gz	UOMRACULZIRUIK-UHFFFAOYSA-N	-2	1	436.283	4.517	40	0		IJABML
Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3ccc(C(=O)[O-])o3)c(Br)c2)cc1	ZINC000226352954	556684853	/nfs/dbraw/zinc/68/48/53/556684853.db2.gz	BFFMRKZVQJRZHJ-UHFFFAOYSA-N	-2	1	436.283	4.517	40	0		IJABML