smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1nc(N2CC[NH+](C)CC2)cc(Nc2ccc(OCc3ccccc3)cc2)[nH+]1 ZINC000216849815 136203255 /nfs/dbraw/zinc/20/32/55/136203255.db2.gz MGVBKGFGIJQGBX-UHFFFAOYSA-N 2 2 389.503 3.859 40 70 GHIBLP Cc1nc(N2CC[NH+](C)CC2)cc(Nc2ccc(Cl)c(C(F)(F)F)c2)[nH+]1 ZINC000216849570 136203156 /nfs/dbraw/zinc/20/31/56/136203156.db2.gz XWTYGZUKQZLVFU-UHFFFAOYSA-N 2 2 385.821 3.953 40 70 GHIBLP