smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C([O-])C(=O)Cc1cc(I)c(Oc2ccc([O-])c(I)c2)c(I)c1	ZINC000004096216	561693763	/nfs/dbraw/zinc/69/37/63/561693763.db2.gz	UZLGNJCPGBOQIB-UHFFFAOYSA-N	-2	3	649.944	4.195	10	0	in-vitro	KIAEHL
O=C1c2c(O)cc([O-])cc2O[C@H](c2ccc(O)cc2)[C@H]1[C@@H]1C(=O)c2c(O)cc([O-])cc2O[C@H]1c1ccc(O)cc1	ZINC000004098324	571360372	/nfs/dbraw/zinc/36/03/72/571360372.db2.gz	RNQBLQALVMHBKH-SQYWJIFTSA-N	-2	3	542.496	4.486	10	0	biogenic,in-vitro	KIAEHL
CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H](C)[C@]23Cc2c(c4c(cc2[O-])C(=O)N([C@@H](CCC(=O)[O-])C(=O)[O-])C4)O3)C1(C)C	ZINC000067910437	291827586	/nfs/dbraw/zinc/82/75/86/291827586.db2.gz	QOSHGFOSXAHAJH-NRNNCWFTSA-N	-3	3	557.640	4.144	10	0		KIAEHL
CC(=O)O[C@H]1CC[C@@]2(C)[C@H](CC[C@@H](C)[C@]23Cc2c(c4c(cc2[O-])C(=O)N([C@@H](CCC(=O)[O-])C(=O)[O-])C4)O3)C1(C)C	ZINC000067910441	291827593	/nfs/dbraw/zinc/82/75/93/291827593.db2.gz	QOSHGFOSXAHAJH-HVYIAQDDSA-N	-3	3	557.640	4.144	10	0		KIAEHL