smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C)c2C)c1 ZINC000514382659 1059294171 /nfs/dbraw/zinc/29/41/71/1059294171.db2.gz UOOPPQCFCCLJMM-UHFFFAOYSA-N -2 1 525.649 2.670 20 0 KFADML CCCCNc1ccc(S(=O)(=O)N2CCOCC2)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1C ZINC000514405467 1059423615 /nfs/dbraw/zinc/42/36/15/1059423615.db2.gz WATUJMKMVJHVMI-UHFFFAOYSA-N -2 1 511.622 2.727 20 0 KFADML