smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(=O)OCC[C@H]1c2c(cc3c(c2O)C(=O)c2c(O)cc([O-])cc2C3=O)O[C@@H]1O	ZINC000005161409	560201088	/nfs/dbraw/zinc/20/10/88/560201088.db2.gz	DYJNRRXQVSJBAA-LXGOIASLSA-N	-1	0	400.339	1.326	10	10	in-vitro	HDCERM
CSCC[C@H](NS(=O)(=O)c1ccc2c(c1)C(=O)c1ccccc1C2=O)C(=O)[O-]	ZINC000041091538	525594812	/nfs/dbraw/zinc/59/48/12/525594812.db2.gz	WGYJEIKGPPDQIH-INIZCTEOSA-N	-1	0	419.480	1.947	10	10		HDCERM
CSCC[C@@H](NS(=O)(=O)c1ccc2c(c1)C(=O)c1ccccc1C2=O)C(=O)[O-]	ZINC000041091539	525555106	/nfs/dbraw/zinc/55/51/06/525555106.db2.gz	WGYJEIKGPPDQIH-MRXNPFEDSA-N	-1	0	419.480	1.947	10	10		HDCERM
O=C([O-])[C@H](CCCCNC(=O)c1cccc(O)c1O)NC(=O)c1cccc(O)c1O	ZINC000003650087	560189293	/nfs/dbraw/zinc/18/92/93/560189293.db2.gz	KQPFLOCEYZIIRD-ZDUSSCGKSA-N	-1	0	418.402	1.292	10	10	in-vitro	HDCERM
COc1ccc(N2CCN(C(=O)CSc3nc4c(c(=O)[nH]3)CCC4)CC2)cc1	ZINC000004858520	132290752	/nfs/dbraw/zinc/29/07/52/132290752.db2.gz	UVNYIUMIQNIFPL-UHFFFAOYSA-N	-1	0	400.504	1.708	10	10		HDCERM