smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name [NH3+][C@@H](C(=O)NO)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000035275987 172096934 /nfs/dbraw/zinc/09/69/34/172096934.db2.gz RQVXYNCCMRFRRA-NWDGAFQWSA-N 2 2 292.339 -0.790 1 30 CBEFLP [NH3+][C@@H](C(=O)NO)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000035275987 172096936 /nfs/dbraw/zinc/09/69/36/172096936.db2.gz RQVXYNCCMRFRRA-NWDGAFQWSA-N 2 2 292.339 -0.790 1 30 CBEFLP [NH3+][C@H](C(=O)NO)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000035275984 172096443 /nfs/dbraw/zinc/09/64/43/172096443.db2.gz RQVXYNCCMRFRRA-RYUDHWBXSA-N 2 2 292.339 -0.790 1 30 CBEFLP [NH3+][C@H](C(=O)NO)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000035275984 172096445 /nfs/dbraw/zinc/09/64/45/172096445.db2.gz RQVXYNCCMRFRRA-RYUDHWBXSA-N 2 2 292.339 -0.790 1 30 CBEFLP NC(=N[N+](=O)[O-])NCCC[C@H]([NH3+])C[NH2+]Cc1cccnc1 ZINC000013518000 170557648 /nfs/dbraw/zinc/55/76/48/170557648.db2.gz YFRGVCGJTQQYQT-NSHDSACASA-N 2 2 295.347 -0.625 1 30 CBEFLP