smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCN1c2ccccc2C(=N[N-]c2cccc[nH+]2)C1=O ZINC000006910357 170254491 /nfs/dbraw/zinc/25/44/91/170254491.db2.gz XRGFBDPLYOOKHD-FMQUCBEESA-N 0 1 294.358 4.957 1 10 CJCFMN CC(C)N1c2ccccc2C(=N[N-]c2cccc[nH+]2)C1=O ZINC000008687963 170345996 /nfs/dbraw/zinc/34/59/96/170345996.db2.gz RRAAUZBOPPHSGC-HNENSFHCSA-N 0 1 280.331 4.738 1 10 CJCFMN O=C1Nc2ccccc2C1=NN=c1[nH]c2ccccc2s1 ZINC000096901524 185126878 /nfs/dbraw/zinc/12/68/78/185126878.db2.gz MNUVEXBEAVKSDR-HNENSFHCSA-N 0 1 294.339 4.899 1 10 CJCFMN O=C1Nc2ccccc2C1=NN=c1[nH]c2ccccc2s1 ZINC000096901525 185126779 /nfs/dbraw/zinc/12/67/79/185126779.db2.gz MNUVEXBEAVKSDR-VHEBQXMUSA-N 0 1 294.339 4.899 1 10 CJCFMN