smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(C[C@@H]1CCN2C[C@@H]1CCCOc1ccc(N3CC[NH2+]CC3)cc1C[NH2+]CC2=O)NCc1ccc(Cl)cc1 ZINC000072320710 553647823 /nfs/dbraw/zinc/64/78/23/553647823.db2.gz HRUUYTUOYIIEIA-ZEQRLZLVSA-N 2 2 554.135 3.183 10 10 KGCELP CN(Cc1ccccc1)C(=O)C[C@@H]1CCN2C[C@@H]1CCCOc1ccc(N(C)CC[NH+](C)C)cc1C[NH2+]CC2=O ZINC000072320723 553647885 /nfs/dbraw/zinc/64/78/85/553647885.db2.gz JQCMSXZXLXTRMH-SVBPBHIXSA-N 2 2 549.760 3.460 10 10 KGCELP