smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name [NH3+]CCC(=O)NCC[N@@H+](CCNC(=O)Cc1c[nH]cn1)CCNC(=O)c1c2ccccc2nc2ccccc21 ZINC000026153823 561767988 /nfs/dbraw/zinc/76/79/88/561767988.db2.gz VYAFJRTZRROSPZ-UHFFFAOYSA-N 2 1 530.633 0.967 1 5 KCBFMP [NH3+]CCC(=O)NCC[N@H+](CCNC(=O)Cc1c[nH]cn1)CCNC(=O)c1c2ccccc2nc2ccccc21 ZINC000026153823 561767986 /nfs/dbraw/zinc/76/79/86/561767986.db2.gz VYAFJRTZRROSPZ-UHFFFAOYSA-N 2 1 530.633 0.967 1 5 KCBFMP