smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cn1c2ccccc2nc2ccc(=[NH+][C@@H]3CCCC[C@@H]3N)cc1-2 ZINC000334158714 257261725 /nfs/dbraw/zinc/26/17/25/257261725.db2.gz ZMIBXBIHMRRMMU-LSDHHAIUSA-N 1 3 306.413 2.849 50 5 DFBAHO Cn1c2ccccc2nc2ccc(=N[C@@H]3CCCC[C@@H]3[NH3+])cc1-2 ZINC000334158714 257261727 /nfs/dbraw/zinc/26/17/27/257261727.db2.gz ZMIBXBIHMRRMMU-LSDHHAIUSA-N 1 3 306.413 2.849 50 5 DFBAHO Cn1c2ccccc2nc2ccc(=[NH+][C@H]3CCCC[C@@H]3N)cc1-2 ZINC000334158712 257261719 /nfs/dbraw/zinc/26/17/19/257261719.db2.gz ZMIBXBIHMRRMMU-GJZGRUSLSA-N 1 3 306.413 2.849 50 5 DFBAHO Cn1c2ccccc2nc2ccc(=N[C@H]3CCCC[C@@H]3[NH3+])cc1-2 ZINC000334158712 257261720 /nfs/dbraw/zinc/26/17/20/257261720.db2.gz ZMIBXBIHMRRMMU-GJZGRUSLSA-N 1 3 306.413 2.849 50 5 DFBAHO Cn1c2ccccc2nc2ccc(=[NH+][C@H]3CCCC[C@H]3N)cc1-2 ZINC000334158710 257261950 /nfs/dbraw/zinc/26/19/50/257261950.db2.gz ZMIBXBIHMRRMMU-CABCVRRESA-N 1 3 306.413 2.849 50 5 DFBAHO Cn1c2ccccc2nc2ccc(=N[C@H]3CCCC[C@H]3[NH3+])cc1-2 ZINC000334158710 257261952 /nfs/dbraw/zinc/26/19/52/257261952.db2.gz ZMIBXBIHMRRMMU-CABCVRRESA-N 1 3 306.413 2.849 50 5 DFBAHO Cn1c2ccccc2nc2ccc(=[NH+][C@@H]3CCCC[C@H]3N)cc1-2 ZINC000334158713 257261712 /nfs/dbraw/zinc/26/17/12/257261712.db2.gz ZMIBXBIHMRRMMU-HUUCEWRRSA-N 1 3 306.413 2.849 50 5 DFBAHO Cn1c2ccccc2nc2ccc(=N[C@@H]3CCCC[C@H]3[NH3+])cc1-2 ZINC000334158713 257261713 /nfs/dbraw/zinc/26/17/13/257261713.db2.gz ZMIBXBIHMRRMMU-HUUCEWRRSA-N 1 3 306.413 2.849 50 5 DFBAHO