smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CNC(=[NH2+])CCCCCCCCCCCCC(=[NH2+])NC ZINC000045257868 175336703 /nfs/dbraw/zinc/33/67/03/175336703.db2.gz ZXDAXDBCZXVPBW-UHFFFAOYSA-N 2 0 282.476 4.061 1 0 CIAFRP Cc1cc(CCCCCCCC[NH3+])sc1CCCC[NH3+] ZINC000028652740 171569377 /nfs/dbraw/zinc/56/93/77/171569377.db2.gz PICYFALBHAVCBN-UHFFFAOYSA-N 2 0 296.524 4.180 1 0 CIAFRP CCCCCC[NH+]1CCC([NH2+]Cc2ccc(C)cc2)CC1 ZINC000045231128 175334683 /nfs/dbraw/zinc/33/46/83/175334683.db2.gz VBOOBVXPXZQJPR-UHFFFAOYSA-N 2 0 288.479 4.129 1 0 CIAFRP