smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(-n2c(C)cc(CNC3CC[NH+](Cc4ccccc4)CC3)c2C)cc1 ZINC000023409443 559173921 /nfs/dbraw/zinc/17/39/21/559173921.db2.gz VTLIXCCOMYMDGW-UHFFFAOYSA-N 1 3 403.570 4.857 50 10 HJCAHO