smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cc2nc(C(C)(C)C)sc2cc1[N-]C(=S)SCCC(=O)[O-]	ZINC000001542225	212144074	/nfs/dbraw/zinc/14/40/74/212144074.db2.gz	SGSGNVTYYAWSKN-UHFFFAOYSA-N	-2	3	384.548	4.507	10	0		GJAEHL
CC(C)C[C@H]1c2c([O-])c(C=O)c([O-])c(C=O)c2O[C@]2(C)C=C[C@H](C(C)C)C[C@H]12	ZINC000004098422	291140372	/nfs/dbraw/zinc/14/03/72/291140372.db2.gz	GCAXPYWXIWWHHT-YXNWKPIHSA-N	-2	3	386.488	4.852	10	0	biogenic,in-vitro	GJAEHL
CC(C)C[C@H]1C[C@@]2(CC[C@H]3C[C@@H]2C3(C)C)Oc2c(C=O)c([O-])c(C=O)c([O-])c21	ZINC000005760077	206261814	/nfs/dbraw/zinc/26/18/14/206261814.db2.gz	SULUCYRQUAHFJK-MJDLOBTFSA-N	-2	3	386.488	4.830	10	0	in-vitro	GJAEHL
CC(C)C[C@H]1c2c([O-])c(C=O)c([O-])c(C=O)c2O[C@]2(C)C=C[C@@H](C(C)C)C[C@H]12	ZINC000004098421	571686057	/nfs/dbraw/zinc/68/60/57/571686057.db2.gz	GCAXPYWXIWWHHT-GYUQRCGZSA-N	-2	3	386.488	4.852	10	0	endogenous,in-man	GJAEHL
CCC[C@@H](CC(=O)[O-])c1c2c(c([O-])c3c1O[C@H](C)[C@@H](C)C3=O)C=CC(C)(C)O2	ZINC000014557638	207023850	/nfs/dbraw/zinc/02/38/50/207023850.db2.gz	JZWLSXINEVHWEP-UPJWGTAASA-N	-2	3	388.460	4.535	10	0	biogenic	GJAEHL