smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[N@@H+]1CCC[C@@H]1CNC(=O)C[C@@H]1NC(=O)N(Cc2ccc3c(c2)OCO3)C1=O ZINC000218148274 568475862 /nfs/dbraw/zinc/47/58/62/568475862.db2.gz SQXSFDGUUQKPDC-CABCVRRESA-N 1 0 402.451 0.826 50 70 HCIARO CC[N@@H+]1CCC[C@H]1CNC(=O)C[C@@H]1NC(=O)N(Cc2ccc3c(c2)OCO3)C1=O ZINC000218148339 568475960 /nfs/dbraw/zinc/47/59/60/568475960.db2.gz SQXSFDGUUQKPDC-GJZGRUSLSA-N 1 0 402.451 0.826 50 70 HCIARO