smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@@]12CCC[N@H+]1CCNC2=O 217948457 344408522 /nfs/dbraw/zinc/40/85/22/344408522.db2.gz OGVXKWGEFRNFLD-QMMMGPOBSA-N 1 1 154.213 -0.029 40 70 ABIBMO C[NH+]1CCN(C(=O)C=C(N)N)CC1 217749909 344405602 /nfs/dbraw/zinc/40/56/02/344405602.db2.gz WJYNNZJVOKYANR-UHFFFAOYSA-N 1 1 184.243 -0.914 40 70 ABIBMO C[C@]12CCC[N@H+]1CCNC2=O 217948528 344408506 /nfs/dbraw/zinc/40/85/06/344408506.db2.gz OGVXKWGEFRNFLD-MRVPVSSYSA-N 1 1 154.213 -0.029 40 70 ABIBMO