smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCCCCCCC[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000104448473 186006336 /nfs/dbraw/zinc/00/63/36/186006336.db2.gz UINWSGXYTSLJEM-INIZCTEOSA-N 2 0 268.489 4.186 10 30 CIEERP CCCCCCCCC[NH2+]CCCC[N@H+](C)C(C)C ZINC000106301523 186107168 /nfs/dbraw/zinc/10/71/68/186107168.db2.gz WRYMNPFHCPJHTK-UHFFFAOYSA-N 2 0 270.505 4.447 10 30 CIEERP CCCCCCCC[n+]1cccc([C@@H]2CCC[N@@H+]2C)c1 ZINC000038157511 174134590 /nfs/dbraw/zinc/13/45/90/174134590.db2.gz SWMTWUJSWRKEHH-SFHVURJKSA-N 2 0 275.460 4.101 10 30 CIEERP