smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc(Cl)cc1N[N+](=O)c1cccc(Cl)c1 ZINC000004100712 567855495 /nfs/dbraw/zinc/85/54/95/567855495.db2.gz XTWQAUHRNOKFKD-MSUUIHNZSA-N 1 0 281.142 5.228 40 10 CKCBRO c1cn(-c2c3ccccc3[nH+]c3ccccc32)c2ccccc12 ZINC000004893051 230369286 /nfs/dbraw/zinc/36/92/86/230369286.db2.gz AUYIMVRGDSFNAD-UHFFFAOYSA-N 1 0 294.357 5.332 40 10 CKCBRO Cc1ccc(Nc2c3ccccc3[nH+]c3ccccc32)cc1C ZINC000005011893 170055129 /nfs/dbraw/zinc/05/51/29/170055129.db2.gz AWGVFXBQMOUMOR-UHFFFAOYSA-N 1 0 298.389 5.748 40 10 CKCBRO Cc1ccc(C)c(Nc2c3ccccc3[nH+]c3ccccc32)c1 ZINC000005394301 170094537 /nfs/dbraw/zinc/09/45/37/170094537.db2.gz CLHUKMDESYSMGH-UHFFFAOYSA-N 1 0 298.389 5.748 40 10 CKCBRO Cc1cccc(C)c1Nc1c2ccccc2[nH+]c2ccccc21 ZINC000005394573 170094259 /nfs/dbraw/zinc/09/42/59/170094259.db2.gz FRHBUIKVKYWTEN-UHFFFAOYSA-N 1 0 298.389 5.748 40 10 CKCBRO