smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[NH+]=C(NC[C@@H]1CN(C)CCN1C)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000261960980 664226432 /nfs/dbraw/zinc/22/64/32/664226432.db2.gz KDLHYHATUFVULJ-NUEKZKHPSA-N 2 3 322.501 -0.120 20 30 DBEDHP C[NH+]=C(NC[C@@H]1CN(C)CCN1C)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000261960980 664226440 /nfs/dbraw/zinc/22/64/40/664226440.db2.gz KDLHYHATUFVULJ-NUEKZKHPSA-N 2 3 322.501 -0.120 20 30 DBEDHP C[NH+]=C(NC[C@@H]1CN(C)CCN1C)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000261960977 671154415 /nfs/dbraw/zinc/15/44/15/671154415.db2.gz KDLHYHATUFVULJ-FVQBIDKESA-N 2 3 322.501 -0.120 20 30 DBEDHP C[NH+]=C(NC[C@@H]1CN(C)CCN1C)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000261960977 671154420 /nfs/dbraw/zinc/15/44/20/671154420.db2.gz KDLHYHATUFVULJ-FVQBIDKESA-N 2 3 322.501 -0.120 20 30 DBEDHP