smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1c([C@H](C)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)cccc1[N+](=O)[O-] ZINC000252512124 424888363 /nfs/dbraw/zinc/88/83/63/424888363.db2.gz MYEUNCHBJXROHE-KKUMJFAQSA-N 2 1 319.405 2.417 50 5 DEBAMP Cc1c([C@H](C)[NH2+]C[C@H]2CN3CCC[C@H]3CO2)cccc1[N+](=O)[O-] ZINC000252512124 424888367 /nfs/dbraw/zinc/88/83/67/424888367.db2.gz MYEUNCHBJXROHE-KKUMJFAQSA-N 2 1 319.405 2.417 50 5 DEBAMP Cc1c([C@H](C)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)cccc1[N+](=O)[O-] ZINC000252512125 424888321 /nfs/dbraw/zinc/88/83/21/424888321.db2.gz MYEUNCHBJXROHE-SOUVJXGZSA-N 2 1 319.405 2.417 50 5 DEBAMP Cc1c([C@H](C)[NH2+]C[C@@H]2CN3CCC[C@H]3CO2)cccc1[N+](=O)[O-] ZINC000252512125 424888323 /nfs/dbraw/zinc/88/83/23/424888323.db2.gz MYEUNCHBJXROHE-SOUVJXGZSA-N 2 1 319.405 2.417 50 5 DEBAMP