smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[NH+](CC)CCCNc1[nH+]ccc2c(C)c3[nH]c4cc[nH+]cc4c3cc21 ZINC000001551834 204012828 /nfs/dbraw/zinc/01/28/28/204012828.db2.gz LPHSYQSMAGVYNT-UHFFFAOYSA-N 3 2 361.493 4.717 10 5 in-man FJBELP