smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC1(C)[C@H]2CC[C@]1(C)C[N@@H+](CCC[N+](C)(C)C)C2 ZINC000005963963 393463151 /nfs/dbraw/zinc/46/31/51/393463151.db2.gz SMDSGYNGAPAETF-GOEBONIOSA-N 2 1 253.454 2.841 40 5 in-vitro CFBBMP CC1(C)[C@@H]2CC[C@@]1(C)C[N@@H+](CCC[N+](C)(C)C)C2 ZINC000001694698 371698998 /nfs/dbraw/zinc/69/89/98/371698998.db2.gz SMDSGYNGAPAETF-ZBFHGGJFSA-N 2 1 253.454 2.841 40 5 in-vitro CFBBMP