smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc2c(cc1Br)[C@]1(C)CC[C@](C)(O2)[C@H]1C ZINC000015216198 560229381 /nfs/dbraw/zinc/22/93/81/560229381.db2.gz KUYRIOUUTKXVSM-VQISRLSMSA-N 0 2 295.220 4.596 10 0 in-vitro CJAELN