smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name NCC(C[NH3+])NC[C@H]1CCC[NH2+]1 1119619272 757782913 /nfs/dbraw/zinc/78/29/13/757782913.db2.gz XTVMJGXEWAFBTQ-SSDOTTSWSA-N 2 3 172.276 -1.386 20 0 AAADHP