smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN1CC[NH+](CCNc2c3ccccc3[nH+]c3c4ccccc4ccc23)CC1 ZINC000045168165 205117572 /nfs/dbraw/zinc/11/75/72/205117572.db2.gz VVSMIAVAKHUSMS-UHFFFAOYSA-N 2 1 370.500 4.201 1 10 FICFMP C[NH+]1CCN(CCNc2c3ccccc3[nH+]c3ccc4ccccc4c32)CC1 ZINC000045201238 205117522 /nfs/dbraw/zinc/11/75/22/205117522.db2.gz MOAIQVBNEGBFEM-UHFFFAOYSA-N 2 1 370.500 4.201 1 10 FICFMP