smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCCCCCCC[N+](C)(C)CCBr ZINC000001855509 717090731 /nfs/dbraw/zinc/09/07/31/717090731.db2.gz WJKLNWGDCIODAQ-UHFFFAOYSA-N 1 0 293.313 4.598 10 50 CJGERO CCCC[N+](CCBr)(CCCC)CCCC ZINC000006398014 717104647 /nfs/dbraw/zinc/10/46/47/717104647.db2.gz YBMQZRPPWZSJRJ-UHFFFAOYSA-N 1 0 293.313 4.598 10 50 in-vitro CJGERO CCCC[N+](CBr)(CCCC)CCCC ZINC000205107133 717159324 /nfs/dbraw/zinc/15/93/24/717159324.db2.gz BWFCPWOYWGGCDR-UHFFFAOYSA-N 1 0 279.286 4.556 10 50 CJGERO