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+]1CCC([NH+]2CCC(NC(=O)c3csc(S(C)(=O)=O)c3)CC2)CC1 ZINC000161144315 530558191 /nfs/dbraw/zinc/55/81/91/530558191.db2.gz LFVAJAGOYDRUCT-UHFFFAOYSA-N 2 2 385.555 1.440 20 70 GDIDLP [NH3+]CCCNC(=O)C[NH+]1CCN(Cc2ccc(Br)cc2F)CC1 ZINC000160037922 530548462 /nfs/dbraw/zinc/54/84/62/530548462.db2.gz QMBNWVBZOVNZOM-UHFFFAOYSA-N 2 2 387.297 1.171 20 70 GDIDLP