smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=c1cc(-c2ccccc2Cl)oc2c([N-]S(=O)(=O)c3ccccc3)ccc([O-])c12	ZINC000028641472	563060256	/nfs/dbraw/zinc/06/02/56/563060256.db2.gz	TYKGZHMHQFSJBQ-UHFFFAOYSA-N	-2	0	427.865	4.620	1	10		IJCFRL
CCCCC[C@H](OC)c1c([O-])cc2c(c1O)C(=O)c1c([O-])c(Cl)c(OC)cc1C2=O	ZINC000084689975	563176317	/nfs/dbraw/zinc/17/63/17/563176317.db2.gz	ZASRCJJQHPCHMP-ZDUSSCGKSA-N	-2	0	434.872	4.509	1	10		IJCFRL
CC(C)=CCCc1c(=O)cc2oc3cc([O-])c(O)c(CCCC(C)(C)O)c3c(O)c-2c1[O-]	ZINC000095099123	291387820	/nfs/dbraw/zinc/38/78/20/291387820.db2.gz	JQCKGYUXMNYXDA-UHFFFAOYSA-N	-2	0	442.508	4.761	1	10	biogenic,in-vitro	IJCFRL
O=c1cc(-c2ccccc2Cl)oc2c([N-]S(=O)(=O)c3cccs3)ccc([O-])c12	ZINC000013879122	563013672	/nfs/dbraw/zinc/01/36/72/563013672.db2.gz	NQGZEVQLRBBXIW-UHFFFAOYSA-N	-2	0	433.894	4.681	3	10		IJCFRL
O=C([O-])c1cccc2c1ccc(O)c2NN=C1C(=O)C=C(S(=O)(=O)[O-])c2ccccc21	ZINC000013864578	563013635	/nfs/dbraw/zinc/01/36/35/563013635.db2.gz	DMLAURXFTZOAQZ-GHVJWSGMSA-N	-2	0	438.417	4.765	1	10		IJCFRL