smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COC[C@](C)(O)CNC(=O)c1cn(C)nn1 ZINC000217570620 174616137 /nfs/dbraw/zinc/61/61/37/174616137.db2.gz HAVKAZVBKOFRBL-SECBINFHSA-N 0 0 228.252 -1.058 50 70 BAIARN COC[C@@](C)(O)CNC(=O)c1cn(C)nn1 ZINC000217570706 385912445 /nfs/dbraw/zinc/91/24/45/385912445.db2.gz HAVKAZVBKOFRBL-VIFPVBQESA-N 0 0 228.252 -1.058 50 70 BAIARN O=C(CO)N[C@@H]1CCOC[C@H]1OCCO ZINC000218243357 372084943 /nfs/dbraw/zinc/08/49/43/372084943.db2.gz BLCFDMQVAMYOAV-HTQZYQBOSA-N 0 0 219.237 -1.739 50 70 BAIARN