smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name [S-]c1ccc2ccccc2c1-c1c(S)ccc2ccccc21 ZINC000002572580 563309630 /nfs/dbraw/zinc/30/96/30/563309630.db2.gz PQTIXYILPGIIHM-UHFFFAOYSA-N -1 2 318.466 6.237 40 0 DKABLM CCCCC/C=C/C/C=C/C=C/[C@H](O)C/C=C\CCCC(=O)[O-] ZINC000256110227 202923759 /nfs/dbraw/zinc/92/37/59/202923759.db2.gz NLUNAYAEIJYXRB-OJEHJUGASA-N -1 2 320.473 5.188 40 0 in-vitro DKABLM