smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)[C@@H]1CC[C@@H](C(C)C)P1C1=CCC=C1 ZINC000504106238 528705471 /nfs/dbraw/zinc/70/54/71/528705471.db2.gz RMRMQAGQUOLETM-GJZGRUSLSA-N 0 3 236.339 5.155 10 0 BKAEHN CC(C)[C@H]1CC[C@H](C(C)C)P1C1=CCC=C1 ZINC000504106240 527815111 /nfs/dbraw/zinc/81/51/11/527815111.db2.gz RMRMQAGQUOLETM-HUUCEWRRSA-N 0 3 236.339 5.155 10 0 BKAEHN