smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc2c(ccc3cn4c(ccc5ccccc54)[n+]32)c1 ZINC000001605708 169723902 /nfs/dbraw/zinc/72/39/02/169723902.db2.gz WLAUNTBKNATAPM-UHFFFAOYSA-N 2 0 283.354 4.293 40 5 CIBBRP C[N+]1(CCC[N+]2(C)CCCCCCC2)CCCCCCC1 ZINC000001646443 567839916 /nfs/dbraw/zinc/83/99/16/567839916.db2.gz FYLUPHBHRPEXKY-UHFFFAOYSA-N 2 0 296.543 4.198 40 5 CIBBRP CC[N+](CC)(CC)CCCCCC[N+](CC)(CC)CC ZINC000005063730 170062911 /nfs/dbraw/zinc/06/29/11/170062911.db2.gz GIYOZHNGXKZRIC-UHFFFAOYSA-N 2 0 286.548 4.300 40 5 CIBBRP CC(C)C[N+](C)(C)CCCCCC[N+](C)(C)CC(C)C ZINC000095858400 567135668 /nfs/dbraw/zinc/13/56/68/567135668.db2.gz XZWJYQKAKOMOGB-UHFFFAOYSA-N 2 0 286.548 4.012 40 5 CIBBRP C[N+]1(CCCCC[N+]2(C)CCCCCC2)CCCCCC1 ZINC000001646442 567839926 /nfs/dbraw/zinc/83/99/26/567839926.db2.gz KKSPZVJQNGDBCO-UHFFFAOYSA-N 2 0 296.543 4.198 40 5 CIBBRP