smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[NH+](CC)CCOc1ccc(CN[C@@H]2CC[N@H+](C)C[C@@H]2C)cc1 ZINC000160276300 473104255 /nfs/dbraw/zinc/10/42/55/473104255.db2.gz PAVBXVINEDASGB-FXAWDEMLSA-N 2 3 333.520 2.837 20 70 EFIDHP CC[NH+](CC)CCOc1ccc(CN[C@@H]2CC[N@@H+](C)C[C@@H]2C)cc1 ZINC000160276300 473104260 /nfs/dbraw/zinc/10/42/60/473104260.db2.gz PAVBXVINEDASGB-FXAWDEMLSA-N 2 3 333.520 2.837 20 70 EFIDHP CC[NH+](CC)CCOc1ccc(CN[C@H]2CC[N@H+](C)C[C@@H]2C)cc1 ZINC000160276428 473104165 /nfs/dbraw/zinc/10/41/65/473104165.db2.gz PAVBXVINEDASGB-PXNSSMCTSA-N 2 3 333.520 2.837 20 70 EFIDHP CC[NH+](CC)CCOc1ccc(CN[C@H]2CC[N@@H+](C)C[C@@H]2C)cc1 ZINC000160276428 473104172 /nfs/dbraw/zinc/10/41/72/473104172.db2.gz PAVBXVINEDASGB-PXNSSMCTSA-N 2 3 333.520 2.837 20 70 EFIDHP