smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@]12CC[C@H]([N+]3(C)CCCC3)CC1=CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CCC[N+]2(C)C ZINC000004215177 220692732 /nfs/dbraw/zinc/69/27/32/220692732.db2.gz JSIHCKINONIDNP-BEQZQCNLSA-N 2 0 386.668 5.387 10 5 in-man GKBERP