ASSAY_ID ASSAY PROJECT PLATE WELL WELL_TYPE RAW_VALUE_A BSUB_VALUE_A Z_SCORE_A RAW_VALUE_B BSUB_VALUE_B Z_SCORE_B COMPOSITE_Z REPRODUCIBILITY CHEMBANK_ID VIRTUAL_ID SMILES 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 A01 mock treatment 1.041 0.0617 0.64 1.006 0.0618 0.66 0.9194 0.9999 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 A02 mock treatment 0.512 -0.467 -4.84 0.516 -0.428 -4.57 -6.6563 -0.9996 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 A03 compound treatment 0.933 -0.0462 -0.48 0.955 0.0108 0.12 -0.2568 -0.5211 NCIOrgEx_000353 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 A04 compound treatment 0.936 -0.0432 -0.45 0.923 -0.0212 -0.23 -0.4766 -0.9498 NCIOrgEx_000354 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 A05 compound treatment 0.867 -0.112 -1.16 0.877 -0.0672 -0.72 -1.3294 -0.9731 NCIOrgEx_000355 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 A06 compound treatment 0.942 -0.0372 -0.39 0.895 -0.0492 -0.53 -0.6442 -0.9885 NCIOrgEx_000356 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 A07 compound treatment 0.84 -0.139 -1.44 0.872 -0.0722 -0.77 -1.5649 -0.9569 NCIOrgEx_000357 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 A08 compound treatment 0.903 -0.0762 -0.79 0.915 -0.0292 -0.31 -0.7787 -0.9172 NCIOrgEx_000358 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 A09 compound treatment 0.953 -0.0262 -0.27 0.989 0.0448 0.48 0.1465 0.266 NCIOrgEx_000359 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 A10 compound treatment 0.869 -0.11 -1.14 0.923 -0.0212 -0.23 -0.9673 -0.831 NCIOrgEx_000360 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 A11 compound treatment 1.27 0.291 3.01 1.226 0.282 3.01 4.2584 1.0 NCIOrgEx_000361 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 A12 compound treatment 0.863 -0.116 -1.2 0.888 -0.0562 -0.6 -1.2756 -0.9483 NCIOrgEx_000362 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 A13 compound treatment 0.993 0.0138 0.14 1.021 0.0768 0.82 0.6812 0.8176 NCIOrgEx_000363 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 A14 compound treatment 0.883 -0.0962 -1.0 0.913 -0.0312 -0.33 -0.9403 -0.8947 NCIOrgEx_000364 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 A15 compound treatment 0.843 -0.136 -1.41 0.871 -0.0732 -0.78 -1.5505 -0.9612 NCIOrgEx_000365 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 A16 compound treatment 1.305 0.326 3.37 1.264 0.32 3.42 4.8018 1.0 NCIOrgEx_000366 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 A17 compound treatment 0.094 -0.885 -9.17 0.101 -0.843 -9.01 -12.8526 -1.0 NCIOrgEx_000367 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 A18 compound treatment 0.838 -0.141 -1.46 0.864 -0.0802 -0.86 -1.64 -0.9675 NCIOrgEx_000368 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 A19 compound treatment 1.421 0.442 4.58 1.384 0.44 4.7 6.5578 0.9999 NCIOrgEx_000369 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 A20 compound treatment 0.875 -0.104 -1.08 0.861 -0.0832 -0.89 -1.3917 -0.9953 NCIOrgEx_000370 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 A21 compound treatment 0.79 -0.189 -1.96 0.688 -0.256 -2.74 -3.3211 -0.9866 NCIOrgEx_000371 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 A22 compound treatment 0.964 -0.0153 -0.16 0.932 -0.0122 -0.13 -0.2035 -0.9953 NCIOrgEx_000372 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 A23 compound treatment 0.857 -0.122 -1.27 0.841 -0.103 -1.1 -1.6746 -0.9976 NCIOrgEx_000373 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 A24 compound treatment 0.881 -0.0982 -1.02 0.903 -0.0412 -0.44 -1.0305 -0.9296 NCIOrgEx_000374 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 B01 mock treatment 0.971 -0.00825 -0.09 0.956 0.0118 0.13 0.029 0.1902 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 B02 mock treatment 1.026 0.0468 0.48 0.994 0.0498 0.53 0.7189 0.9989 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 B03 compound treatment 1.333 0.354 3.66 1.29 0.346 3.69 5.2033 1.0 NCIOrgEx_000375 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 B04 compound treatment 0.311 -0.668 -6.92 0.237 -0.707 -7.55 -10.236 -0.999 NCIOrgEx_000376 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 B05 compound treatment 1.162 0.183 1.89 1.156 0.212 2.26 2.9387 0.9961 NCIOrgEx_000377 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 B06 compound treatment 1.075 0.0958 0.99 1.124 0.18 1.92 2.0598 0.9527 NCIOrgEx_000378 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 B07 compound treatment 0.957 -0.0222 -0.23 0.905 -0.0392 -0.42 -0.4588 -0.9605 NCIOrgEx_000379 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 B08 compound treatment 0.689 -0.29 -3.01 0.712 -0.232 -2.48 -3.8794 -0.9954 NCIOrgEx_000380 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 B09 compound treatment 1.123 0.144 1.49 1.179 0.235 2.51 2.8268 0.969 NCIOrgEx_000381 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 B10 compound treatment 0.794 -0.185 -1.92 0.584 -0.36 -3.85 -4.0774 -0.9483 NCIOrgEx_000382 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 B11 compound treatment 0.884 -0.0952 -0.99 0.878 -0.0662 -0.71 -1.1973 -0.9866 NCIOrgEx_000383 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 B12 compound treatment 1.095 0.116 1.2 1.071 0.127 1.36 1.8059 0.9981 NCIOrgEx_000384 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 B13 compound treatment 0.71 -0.269 -2.79 0.64 -0.304 -3.25 -4.2695 -0.9971 NCIOrgEx_000385 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 B14 compound treatment 1.17 0.191 1.98 1.145 0.201 2.15 2.9142 0.9991 NCIOrgEx_000386 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 B15 compound treatment 0.76 -0.219 -2.27 0.732 -0.212 -2.27 -3.2084 -1.0 NCIOrgEx_000387 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 B16 compound treatment 1.382 0.403 4.17 1.365 0.421 4.5 6.1287 0.9993 NCIOrgEx_000388 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 B17 compound treatment 1.415 0.436 4.51 1.385 0.441 4.71 6.5214 0.9998 NCIOrgEx_000389 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 B18 compound treatment 0.864 -0.115 -1.19 0.837 -0.107 -1.14 -1.6535 -0.9998 NCIOrgEx_000390 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 B19 compound treatment 1.059 0.0798 0.83 0.989 0.0448 0.48 0.9228 0.9664 NCIOrgEx_000391 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 B20 compound treatment 1.264 0.285 2.95 1.287 0.343 3.66 4.6753 0.9942 NCIOrgEx_000392 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 B21 compound treatment 0.912 -0.0672 -0.7 0.93 -0.0142 -0.15 -0.5995 -0.8411 NCIOrgEx_000393 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 B22 compound treatment 1.463 0.484 5.01 1.475 0.531 5.67 7.5529 0.9981 NCIOrgEx_000394 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 B23 compound treatment 0.912 -0.0672 -0.7 0.905 -0.0392 -0.42 -0.7883 -0.9703 NCIOrgEx_000395 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 B24 compound treatment 0.853 -0.126 -1.31 0.86 -0.0842 -0.9 -1.5603 -0.9833 NCIOrgEx_000396 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 C01 mock treatment 1.075 0.0958 0.99 0.992 0.0478 0.51 1.0626 0.9525 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 C02 mock treatment 1.195 0.216 2.23 1.177 0.233 2.49 3.339 0.9986 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 C03 compound treatment 0.827 -0.152 -1.58 0.792 -0.152 -1.63 -2.2644 -0.9999 NCIOrgEx_000397 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 C04 compound treatment 0.044 -0.935 -9.69 0.048 -0.896 -9.57 -13.6191 -1.0 NCIOrgEx_000398 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 C05 compound treatment 0.945 -0.0343 -0.35 0.955 0.0108 0.12 -0.1689 -0.4527 NCIOrgEx_000399 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 C06 compound treatment 0.878 -0.101 -1.05 0.882 -0.0622 -0.66 -1.2111 -0.9757 NCIOrgEx_000400 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 C07 compound treatment 0.975 -0.00425 -0.04 0.973 0.0288 0.31 0.1868 0.6 NCIOrgEx_000401 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 C08 compound treatment 0.89 -0.0892 -0.92 0.871 -0.0732 -0.78 -1.2063 -0.9965 NCIOrgEx_000402 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 C09 compound treatment 1.256 0.277 2.87 1.251 0.307 3.28 4.3447 0.9978 NCIOrgEx_000403 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 C10 compound treatment 0.322 -0.657 -6.81 0.372 -0.572 -6.11 -9.1356 -0.9986 NCIOrgEx_000404 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 C11 compound treatment 0.891 -0.0882 -0.91 0.884 -0.0602 -0.64 -1.1007 -0.9851 NCIOrgEx_000405 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 C12 compound treatment 1.322 0.343 3.55 1.312 0.368 3.93 5.2889 0.9987 NCIOrgEx_000406 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 C13 compound treatment 0.515 -0.464 -4.81 0.526 -0.418 -4.47 -6.5588 -0.9993 NCIOrgEx_000407 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 C14 compound treatment 1.299 0.32 3.31 1.328 0.384 4.1 5.2413 0.9944 NCIOrgEx_000408 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 C15 compound treatment 0.863 -0.116 -1.2 0.921 -0.0232 -0.25 -1.0263 -0.835 NCIOrgEx_000409 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 C16 compound treatment 1.499 0.52 5.38 1.525 0.581 6.21 8.1942 0.9975 NCIOrgEx_000410 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 C17 compound treatment 0.833 -0.146 -1.51 0.852 -0.0922 -0.98 -1.7672 -0.9782 NCIOrgEx_000411 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 C18 compound treatment 1.204 0.225 2.33 1.194 0.25 2.67 3.5333 0.9977 NCIOrgEx_000412 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 C19 compound treatment 0.927 -0.0522 -0.54 0.921 -0.0232 -0.25 -0.5576 -0.9371 NCIOrgEx_000413 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 C20 compound treatment 0.877 -0.102 -1.06 0.867 -0.0772 -0.82 -1.3317 -0.9923 NCIOrgEx_000414 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 C21 compound treatment 1.174 0.195 2.02 1.189 0.245 2.62 3.2758 0.9918 NCIOrgEx_000415 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 C22 compound treatment 0.926 -0.0532 -0.55 0.903 -0.0412 -0.44 -0.7009 -0.9937 NCIOrgEx_000416 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 C23 compound treatment 0.801 -0.178 -1.85 0.837 -0.107 -1.14 -2.1149 -0.9736 NCIOrgEx_000417 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 C24 compound treatment 0.898 -0.0812 -0.84 0.872 -0.0722 -0.77 -1.1401 -0.999 NCIOrgEx_000418 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 D01 mock treatment 0.95 -0.0293 -0.3 0.866 -0.0782 -0.83 -0.8046 -0.9059 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 D02 mock treatment 0.045 -0.934 -9.68 0.047 -0.897 -9.58 -13.6193 -1.0 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 D03 compound treatment 0.955 -0.0243 -0.25 0.946 0.00184 0.02 -0.1637 -0.6497 NCIOrgEx_000419 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 D04 compound treatment 0.967 -0.0123 -0.13 0.924 -0.0202 -0.22 -0.242 -0.9682 NCIOrgEx_000420 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 D05 compound treatment 0.844 -0.135 -1.4 0.84 -0.104 -1.11 -1.7773 -0.9935 NCIOrgEx_000421 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 D06 compound treatment 0.796 -0.183 -1.9 0.742 -0.202 -2.16 -2.8692 -0.9979 NCIOrgEx_000422 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 D07 compound treatment 0.933 -0.0462 -0.48 0.905 -0.0392 -0.42 -0.6345 -0.9977 NCIOrgEx_000423 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 D08 compound treatment 0.871 -0.108 -1.12 0.851 -0.0932 -1.0 -1.4965 -0.9982 NCIOrgEx_000424 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 D09 compound treatment 0.883 -0.0962 -1.0 0.93 -0.0142 -0.15 -0.8118 -0.8052 NCIOrgEx_000425 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 D10 compound treatment 1.122 0.143 1.48 1.107 0.163 1.74 2.2756 0.9967 NCIOrgEx_000426 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 D11 compound treatment 0.946 -0.0333 -0.34 0.946 0.00184 0.02 -0.2296 -0.6656 NCIOrgEx_000427 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 D12 compound treatment 0.928 -0.0512 -0.53 0.955 0.0108 0.12 -0.2934 -0.5401 NCIOrgEx_000428 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 D13 compound treatment 1.116 0.137 1.42 1.029 0.0848 0.91 1.6424 0.9767 NCIOrgEx_000429 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 D14 compound treatment 0.176 -0.803 -8.32 0.174 -0.77 -8.23 -11.7006 -1.0 NCIOrgEx_000430 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 D15 compound treatment 1.025 0.0457 0.47 0.952 0.00784 0.08 0.3943 0.8194 NCIOrgEx_000431 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 D16 compound treatment 1.175 0.196 2.03 1.184 0.24 2.56 3.2454 0.9933 NCIOrgEx_000432 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 D17 compound treatment 1.464 0.485 5.02 1.466 0.522 5.57 7.4922 0.9986 NCIOrgEx_000433 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 D18 compound treatment 1.13 0.151 1.56 1.133 0.189 2.02 2.5306 0.992 NCIOrgEx_000434 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 D19 compound treatment 0.911 -0.0682 -0.71 0.877 -0.0672 -0.72 -1.0072 -1.0 NCIOrgEx_000435 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 D20 compound treatment 0.918 -0.0612 -0.63 0.932 -0.0122 -0.13 -0.5404 -0.8346 NCIOrgEx_000436 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 D21 compound treatment 0.996 0.0168 0.17 1.03 0.0858 0.92 0.7711 0.8262 NCIOrgEx_000437 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 D22 compound treatment 0.89 -0.0892 -0.92 0.884 -0.0602 -0.64 -1.1081 -0.9842 NCIOrgEx_000438 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 D23 compound treatment 0.851 -0.128 -1.33 0.916 -0.0282 -0.3 -1.152 -0.8458 NCIOrgEx_000439 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 D24 compound treatment 0.853 -0.126 -1.31 0.87 -0.0742 -0.79 -1.4848 -0.9712 NCIOrgEx_000440 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 E01 mock treatment 0.697 -0.282 -2.92 0.685 -0.259 -2.77 -4.0248 -0.9996 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 E02 mock treatment 0.918 -0.0612 -0.63 0.924 -0.0202 -0.22 -0.6008 -0.8969 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 E03 compound treatment 1.065 0.0858 0.89 1.041 0.0968 1.03 1.3596 0.9971 NCIOrgEx_000441 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 E04 compound treatment 1.099 0.12 1.24 1.012 0.0678 0.72 1.3895 0.9673 NCIOrgEx_000442 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 E05 compound treatment 0.967 -0.0123 -0.13 0.924 -0.0202 -0.22 -0.242 -0.9682 NCIOrgEx_000443 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 E06 compound treatment 0.991 0.0118 0.12 0.937 -0.00716 -0.08 0.032 0.2225 NCIOrgEx_000444 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 E07 compound treatment 0.921 -0.0582 -0.6 0.912 -0.0322 -0.34 -0.6695 -0.9644 NCIOrgEx_000445 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 E08 compound treatment 1.235 0.256 2.65 1.187 0.243 2.59 3.7075 0.9999 NCIOrgEx_000446 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 E09 compound treatment 0.98 7.5E-4 0.01 1.006 0.0618 0.66 0.4727 0.7154 NCIOrgEx_000447 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 E10 compound treatment 0.822 -0.157 -1.63 0.756 -0.188 -2.01 -2.573 -0.9945 NCIOrgEx_000448 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 E11 compound treatment 0.946 -0.0333 -0.34 0.909 -0.0352 -0.38 -0.5091 -0.9991 NCIOrgEx_000449 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 E12 compound treatment 0.935 -0.0442 -0.46 0.909 -0.0352 -0.38 -0.5897 -0.9951 NCIOrgEx_000450 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 E13 compound treatment 0.182 -0.797 -8.26 0.195 -0.749 -8.0 -11.498 -0.9999 NCIOrgEx_000451 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 E14 compound treatment 0.586 -0.393 -4.07 0.602 -0.342 -3.66 -5.4647 -0.9985 NCIOrgEx_000452 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 E15 compound treatment 0.985 0.00575 0.06 0.957 0.0128 0.14 0.1391 0.9302 NCIOrgEx_000453 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 E16 compound treatment 1.128 0.149 1.54 1.103 0.159 1.7 2.2893 0.9988 NCIOrgEx_000454 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 E17 compound treatment 1.023 0.0437 0.45 0.988 0.0438 0.47 0.6516 0.9999 NCIOrgEx_000455 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 E18 compound treatment 0.811 -0.168 -1.74 0.774 -0.17 -1.82 -2.5176 -0.9998 NCIOrgEx_000456 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 E19 compound treatment 0.893 -0.0862 -0.89 0.876 -0.0682 -0.73 -1.1465 -0.9949 NCIOrgEx_000457 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 E20 compound treatment 1.226 0.247 2.56 1.191 0.247 2.64 3.6718 0.9999 NCIOrgEx_000458 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 E21 compound treatment 1.225 0.246 2.55 1.191 0.247 2.64 3.6645 0.9998 NCIOrgEx_000459 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 E22 compound treatment 0.964 -0.0153 -0.16 0.92 -0.0242 -0.26 -0.2942 -0.9722 NCIOrgEx_000460 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 E23 compound treatment 0.845 -0.134 -1.39 0.829 -0.115 -1.23 -1.8531 -0.9981 NCIOrgEx_000461 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 E24 compound treatment 0.942 -0.0372 -0.39 0.848 -0.0962 -1.03 -0.9992 -0.9106 NCIOrgEx_000462 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 F01 mock treatment 1.22 0.241 2.49 1.205 0.261 2.79 3.7336 0.9985 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 F02 mock treatment 1.099 0.12 1.24 1.123 0.179 1.91 2.228 0.9781 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 F03 compound treatment 0.921 -0.0582 -0.6 1.013 0.0688 0.74 0.0935 0.0982 NCIOrgEx_000463 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 F04 compound treatment 0.85 -0.129 -1.34 0.852 -0.0922 -0.98 -1.6427 -0.9886 NCIOrgEx_000464 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 F05 compound treatment 1.008 0.0288 0.3 0.987 0.0428 0.46 0.5342 0.9783 NCIOrgEx_000465 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 F06 compound treatment 0.841 -0.138 -1.43 0.829 -0.115 -1.23 -1.8824 -0.9971 NCIOrgEx_000466 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 F07 compound treatment 0.938 -0.0413 -0.43 1.012 0.0678 0.72 0.2104 0.2501 NCIOrgEx_000467 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 F08 compound treatment 0.892 -0.0872 -0.9 0.854 -0.0902 -0.96 -1.3201 -0.9995 NCIOrgEx_000468 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 F09 compound treatment 1.01 0.0308 0.32 0.991 0.0468 0.5 0.5791 0.9762 NCIOrgEx_000469 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 F10 compound treatment 1.134 0.155 1.6 1.16 0.216 2.31 2.7638 0.9842 NCIOrgEx_000470 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 F11 compound treatment 0.899 -0.0802 -0.83 0.871 -0.0732 -0.78 -1.1404 -0.9995 NCIOrgEx_000471 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 F12 compound treatment 0.695 -0.284 -2.94 0.693 -0.251 -2.68 -3.979 -0.9989 NCIOrgEx_000472 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 F13 compound treatment 0.918 -0.0612 -0.63 0.948 0.00384 0.04 -0.4195 -0.66 NCIOrgEx_000473 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 F14 compound treatment 1.145 0.166 1.72 1.12 0.176 1.88 2.5422 0.999 NCIOrgEx_000474 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 F15 compound treatment 0.902 -0.0772 -0.8 0.869 -0.0752 -0.8 -1.1335 -1.0 NCIOrgEx_000475 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 F16 compound treatment 0.079 -0.9 -9.32 0.102 -0.842 -9.0 -12.9549 -0.9998 NCIOrgEx_000476 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 F17 compound treatment 1.353 0.374 3.87 1.298 0.354 3.78 5.4102 0.9999 NCIOrgEx_000477 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 F18 compound treatment 0.88 -0.0992 -1.03 0.864 -0.0802 -0.86 -1.3324 -0.9959 NCIOrgEx_000478 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 F19 compound treatment 0.054 -0.925 -9.58 0.059 -0.885 -9.46 -13.4628 -1.0 NCIOrgEx_000479 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 F20 compound treatment 0.048 -0.931 -9.65 0.05 -0.894 -9.55 -13.5747 -1.0 NCIOrgEx_000480 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 F21 compound treatment 1.032 0.0528 0.55 1.105 0.161 1.72 1.6014 0.8881 NCIOrgEx_000481 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 F22 compound treatment 1.065 0.0858 0.89 1.08 0.136 1.45 1.6542 0.9722 NCIOrgEx_000482 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 F23 compound treatment 0.919 -0.0602 -0.62 0.896 -0.0482 -0.51 -0.805 -0.9954 NCIOrgEx_000483 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 F24 compound treatment 0.899 -0.0802 -0.83 0.845 -0.0992 -1.06 -1.3368 -0.9928 NCIOrgEx_000484 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 G01 mock treatment 1.118 0.139 1.44 1.09 0.146 1.56 2.1179 0.9992 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 G02 mock treatment 1.224 0.245 2.53 1.275 0.331 3.53 4.2917 0.9867 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 G03 compound treatment 1.27 0.291 3.01 1.295 0.351 3.75 4.7797 0.9941 NCIOrgEx_000485 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 G04 compound treatment 0.949 -0.0302 -0.31 0.932 -0.0122 -0.13 -0.3134 -0.924 NCIOrgEx_000486 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 G05 compound treatment 1.012 0.0328 0.34 0.948 0.00384 0.04 0.2689 0.7869 NCIOrgEx_000487 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 G06 compound treatment 0.853 -0.126 -1.31 0.861 -0.0832 -0.89 -1.5528 -0.9823 NCIOrgEx_000488 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 G07 compound treatment 1.217 0.238 2.46 1.18 0.236 2.52 3.5228 0.9999 NCIOrgEx_000489 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 G08 compound treatment 0.89 -0.0892 -0.92 0.902 -0.0422 -0.45 -0.9721 -0.9454 NCIOrgEx_000490 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 G09 compound treatment 0.881 -0.0982 -1.02 0.916 -0.0282 -0.3 -0.9322 -0.8786 NCIOrgEx_000491 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 G10 compound treatment 0.882 -0.0972 -1.01 0.901 -0.0432 -0.46 -1.0382 -0.9373 NCIOrgEx_000492 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 G11 compound treatment 0.112 -0.867 -8.98 0.117 -0.827 -8.84 -12.5999 -1.0 NCIOrgEx_000493 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 G12 compound treatment 1.338 0.359 3.72 1.248 0.304 3.25 4.9226 0.9977 NCIOrgEx_000494 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 G13 compound treatment 1.258 0.279 2.89 1.237 0.293 3.13 4.2536 0.9992 NCIOrgEx_000495 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 G14 compound treatment 0.836 -0.143 -1.48 0.827 -0.117 -1.25 -1.9341 -0.9964 NCIOrgEx_000496 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 G15 compound treatment 1.396 0.417 4.32 1.395 0.451 4.82 6.4578 0.9985 NCIOrgEx_000497 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 G16 compound treatment 0.889 -0.0902 -0.93 0.844 -0.1 -1.07 -1.4176 -0.9977 NCIOrgEx_000498 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 G17 compound treatment 0.925 -0.0542 -0.56 0.905 -0.0392 -0.42 -0.6931 -0.9894 NCIOrgEx_000499 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 G18 compound treatment 0.864 -0.115 -1.19 0.831 -0.113 -1.21 -1.6989 -1.0 NCIOrgEx_000500 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 G19 compound treatment 1.389 0.41 4.24 1.343 0.399 4.26 6.0138 1.0 NCIOrgEx_000501 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 G20 compound treatment 0.862 -0.117 -1.21 0.868 -0.0762 -0.81 -1.434 -0.981 NCIOrgEx_000502 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 G21 compound treatment 0.91 -0.0692 -0.72 0.867 -0.0772 -0.82 -1.09 -0.9976 NCIOrgEx_000503 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 G22 compound treatment 1.004 0.0248 0.26 0.999 0.0548 0.59 0.5955 0.9312 NCIOrgEx_000504 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 G23 compound treatment 0.846 -0.133 -1.38 0.862 -0.0822 -0.88 -1.5965 -0.9761 NCIOrgEx_000505 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 G24 compound treatment 0.852 -0.127 -1.32 0.866 -0.0782 -0.83 -1.5223 -0.9758 NCIOrgEx_000506 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 H01 mock treatment 0.875 -0.104 -1.08 0.905 -0.0392 -0.42 -1.0593 -0.9148 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 H02 mock treatment 0.946 -0.0333 -0.34 0.928 -0.0162 -0.17 -0.3656 -0.949 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 H03 compound treatment 0.978 -0.00125 -0.01 0.955 0.0108 0.12 0.0727 0.6242 NCIOrgEx_000507 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 H04 compound treatment 0.778 -0.201 -2.08 0.808 -0.136 -1.45 -2.5024 -0.9845 NCIOrgEx_000508 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 H05 compound treatment 1.022 0.0428 0.44 0.911 -0.0332 -0.35 0.0626 0.1104 NCIOrgEx_000509 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 H06 compound treatment 0.886 -0.0932 -0.97 0.852 -0.0922 -0.98 -1.3791 -1.0 NCIOrgEx_000510 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 H07 compound treatment 1.349 0.37 3.83 1.42 0.476 5.08 6.3025 0.9902 NCIOrgEx_000511 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 H08 compound treatment 0.718 -0.261 -2.71 0.708 -0.236 -2.52 -3.6973 -0.9994 NCIOrgEx_000512 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 H09 compound treatment 0.925 -0.0542 -0.56 0.947 0.00284 0.03 -0.3758 -0.6679 NCIOrgEx_000513 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 H10 compound treatment 1.23 0.251 2.6 1.207 0.263 2.81 3.8219 0.9992 NCIOrgEx_000514 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 H11 compound treatment 1.043 0.0638 0.66 1.109 0.165 1.76 1.7121 0.9103 NCIOrgEx_000515 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 H12 compound treatment 1.248 0.269 2.78 1.231 0.287 3.06 4.1351 0.9988 NCIOrgEx_000516 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 H13 compound treatment 0.864 -0.115 -1.19 0.888 -0.0562 -0.6 -1.2683 -0.9493 NCIOrgEx_000517 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 H14 compound treatment 0.109 -0.87 -9.01 0.123 -0.821 -8.77 -12.5765 -0.9999 NCIOrgEx_000518 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 H15 compound treatment 1.035 0.0558 0.58 1.038 0.0938 1.0 1.1172 0.9657 NCIOrgEx_000519 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 H16 compound treatment 0.465 -0.514 -5.33 0.534 -0.41 -4.38 -6.8646 -0.9953 NCIOrgEx_000520 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 H17 compound treatment 0.973 -0.00625 -0.06 0.997 0.0528 0.56 0.3534 0.622 NCIOrgEx_000521 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 H18 compound treatment 0.82 -0.159 -1.65 0.797 -0.147 -1.57 -2.2779 -0.9997 NCIOrgEx_000522 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 H19 compound treatment 0.954 -0.0253 -0.26 0.931 -0.0132 -0.14 -0.2843 -0.9576 NCIOrgEx_000523 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 H20 compound treatment 0.895 -0.0842 -0.87 0.892 -0.0522 -0.56 -1.011 -0.9765 NCIOrgEx_000524 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 H21 compound treatment 0.654 -0.325 -3.37 0.6 -0.344 -3.68 -4.9818 -0.999 NCIOrgEx_000525 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 H22 compound treatment 0.896 -0.0832 -0.86 0.822 -0.122 -1.31 -1.5325 -0.9798 NCIOrgEx_000526 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 H23 compound treatment 0.907 -0.0722 -0.75 0.854 -0.0902 -0.96 -1.2102 -0.9922 NCIOrgEx_000527 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 H24 compound treatment 0.893 -0.0862 -0.89 0.888 -0.0562 -0.6 -1.0559 -0.9812 NCIOrgEx_000528 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 I01 mock treatment 0.955 -0.0243 -0.25 0.936 -0.00816 -0.09 -0.2392 -0.8998 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 I02 mock treatment 0.899 -0.0802 -0.83 0.855 -0.0892 -0.95 -1.2612 -0.9977 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 I03 compound treatment 1.002 0.0227 0.24 0.913 -0.0312 -0.33 -0.0688 -0.1686 NCIOrgEx_000529 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 I04 compound treatment 0.989 0.00975 0.1 0.909 -0.0352 -0.38 -0.1942 -0.4993 NCIOrgEx_000530 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 I05 compound treatment 0.919 -0.0602 -0.62 0.903 -0.0412 -0.44 -0.7522 -0.9853 NCIOrgEx_000531 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 I06 compound treatment 1.022 0.0428 0.44 1.022 0.0778 0.83 0.9011 0.9565 NCIOrgEx_000532 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 I07 compound treatment 0.809 -0.17 -1.76 0.835 -0.109 -1.17 -2.0714 -0.9799 NCIOrgEx_000533 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 I08 compound treatment 0.043 -0.936 -9.7 0.044 -0.9 -9.62 -13.6567 -1.0 NCIOrgEx_000534 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 I09 compound treatment 0.98 7.5E-4 0.01 0.969 0.0248 0.27 0.1932 0.7275 NCIOrgEx_000535 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 I10 compound treatment 1.004 0.0248 0.26 0.983 0.0388 0.41 0.4747 0.9732 NCIOrgEx_000536 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 I11 compound treatment 1.256 0.277 2.87 1.267 0.323 3.45 4.4656 0.9958 NCIOrgEx_000537 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 I12 compound treatment 0.861 -0.118 -1.22 0.905 -0.0392 -0.42 -1.1618 -0.8977 NCIOrgEx_000538 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 I13 compound treatment 1.126 0.147 1.52 1.037 0.0928 0.99 1.7761 0.9786 NCIOrgEx_000539 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 I14 compound treatment 0.93 -0.0492 -0.51 0.93 -0.0142 -0.15 -0.4676 -0.879 NCIOrgEx_000540 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 I15 compound treatment 0.81 -0.169 -1.75 0.8 -0.144 -1.54 -2.3285 -0.9979 NCIOrgEx_000541 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 I16 compound treatment 1.379 0.4 4.14 1.354 0.41 4.38 6.0236 0.9996 NCIOrgEx_000542 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 I17 compound treatment 0.826 -0.153 -1.59 0.852 -0.0922 -0.98 -1.8185 -0.9736 NCIOrgEx_000543 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 I18 compound treatment 0.844 -0.135 -1.4 0.834 -0.11 -1.18 -1.8227 -0.9962 NCIOrgEx_000544 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 I19 compound treatment 1.054 0.0748 0.77 1.015 0.0708 0.76 1.0826 0.9999 NCIOrgEx_000545 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 I20 compound treatment 0.923 -0.0562 -0.58 0.906 -0.0382 -0.41 -0.7002 -0.9848 NCIOrgEx_000546 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 I21 compound treatment 0.944 -0.0352 -0.37 0.936 -0.00816 -0.09 -0.3198 -0.852 NCIOrgEx_000547 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 I22 compound treatment 1.114 0.135 1.4 1.079 0.135 1.44 2.0055 0.9999 NCIOrgEx_000548 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 I23 compound treatment 0.888 -0.0912 -0.95 0.814 -0.13 -1.39 -1.6515 -0.9823 NCIOrgEx_000549 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 I24 compound treatment 0.869 -0.11 -1.14 0.874 -0.0702 -0.75 -1.3374 -0.9792 NCIOrgEx_000550 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 J01 mock treatment 0.145 -0.834 -8.64 0.148 -0.796 -8.51 -12.124 -1.0 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 J02 mock treatment 1.001 0.0217 0.23 0.981 0.0368 0.39 0.4376 0.9649 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 J03 compound treatment 1.001 0.0217 0.23 0.99 0.0458 0.49 0.5056 0.9379 NCIOrgEx_000551 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 J04 compound treatment 0.718 -0.261 -2.71 0.749 -0.195 -2.08 -3.3875 -0.9917 NCIOrgEx_000552 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 J05 compound treatment 1.235 0.256 2.65 1.233 0.289 3.09 4.055 0.9971 NCIOrgEx_000553 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 J06 compound treatment 1.031 0.0517 0.54 1.009 0.0648 0.69 0.8688 0.992 NCIOrgEx_000554 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 J07 compound treatment 1.109 0.13 1.34 1.101 0.157 1.68 2.135 0.994 NCIOrgEx_000555 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 J08 compound treatment 0.231 -0.748 -7.75 0.06 -0.884 -9.45 -12.159 -0.9952 NCIOrgEx_000556 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 J09 compound treatment 1.034 0.0548 0.57 1.061 0.117 1.25 1.2836 0.9362 NCIOrgEx_000557 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 J10 compound treatment 0.608 -0.371 -3.85 0.607 -0.337 -3.6 -5.2658 -0.9995 NCIOrgEx_000558 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 J11 compound treatment 0.811 -0.168 -1.74 0.846 -0.0982 -1.05 -1.9737 -0.9705 NCIOrgEx_000559 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 J12 compound treatment 1.391 0.412 4.26 1.389 0.445 4.75 6.3759 0.9985 NCIOrgEx_000560 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 J13 compound treatment 0.061 -0.918 -9.51 0.067 -0.877 -9.37 -13.3511 -1.0 NCIOrgEx_000561 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 J14 compound treatment 1.138 0.159 1.64 1.139 0.195 2.08 2.6345 0.9932 NCIOrgEx_000562 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 J15 compound treatment 1.082 0.103 1.06 1.084 0.14 1.49 1.8089 0.9862 NCIOrgEx_000563 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 J16 compound treatment 1.16 0.181 1.87 1.184 0.24 2.56 3.1355 0.9881 NCIOrgEx_000564 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 J17 compound treatment 0.722 -0.257 -2.66 0.688 -0.256 -2.74 -3.8191 -0.9999 NCIOrgEx_000565 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 J18 compound treatment 1.012 0.0328 0.34 1.005 0.0608 0.65 0.6995 0.954 NCIOrgEx_000566 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 J19 compound treatment 0.922 -0.0572 -0.59 0.884 -0.0602 -0.64 -0.8737 -0.9992 NCIOrgEx_000567 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 J20 compound treatment 1.443 0.464 4.8 1.362 0.418 4.46 6.5528 0.9993 NCIOrgEx_000568 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 J21 compound treatment 0.924 -0.0552 -0.57 0.958 0.0138 0.15 -0.3001 -0.5077 NCIOrgEx_000569 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 J22 compound treatment 1.14 0.161 1.66 1.17 0.226 2.41 2.8833 0.9836 NCIOrgEx_000570 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 J23 compound treatment 0.906 -0.0732 -0.76 0.866 -0.0782 -0.83 -1.1269 -0.9989 NCIOrgEx_000571 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 J24 compound treatment 0.886 -0.0932 -0.97 0.846 -0.0982 -1.05 -1.4244 -0.9992 NCIOrgEx_000572 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 K01 mock treatment 0.107 -0.872 -9.03 0.13 -0.814 -8.7 -12.5383 -0.9998 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 K02 mock treatment 0.299 -0.68 -7.05 0.274 -0.67 -7.16 -10.0444 -1.0 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 K03 compound treatment 0.906 -0.0732 -0.76 0.906 -0.0382 -0.41 -0.8247 -0.9576 NCIOrgEx_000573 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 K04 compound treatment 1.059 0.0798 0.83 1.008 0.0638 0.68 1.0663 0.9955 NCIOrgEx_000574 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 K05 compound treatment 0.878 -0.101 -1.05 0.922 -0.0222 -0.24 -0.9089 -0.8455 NCIOrgEx_000575 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 K06 compound treatment 0.916 -0.0632 -0.66 0.905 -0.0392 -0.42 -0.759 -0.9765 NCIOrgEx_000576 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 K07 compound treatment 1.002 0.0227 0.24 0.961 0.0168 0.18 0.2938 0.9911 NCIOrgEx_000577 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 K08 compound treatment 0.886 -0.0932 -0.97 0.921 -0.0232 -0.25 -0.8579 -0.8605 NCIOrgEx_000578 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 K09 compound treatment 0.814 -0.165 -1.71 0.832 -0.112 -1.2 -2.0575 -0.9848 NCIOrgEx_000579 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 K10 compound treatment 0.925 -0.0542 -0.56 0.989 0.0448 0.48 -0.0586 -0.0793 NCIOrgEx_000580 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 K11 compound treatment 0.918 -0.0612 -0.63 0.928 -0.0162 -0.17 -0.5706 -0.868 NCIOrgEx_000581 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 K12 compound treatment 1.093 0.114 1.18 1.111 0.167 1.78 2.0934 0.9798 NCIOrgEx_000582 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 K13 compound treatment 0.806 -0.173 -1.79 0.841 -0.103 -1.1 -2.0481 -0.9726 NCIOrgEx_000583 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 K14 compound treatment 0.887 -0.0922 -0.96 0.871 -0.0732 -0.78 -1.2282 -0.995 NCIOrgEx_000584 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 K15 compound treatment 1.145 0.166 1.72 1.043 0.0988 1.06 1.9606 0.9728 NCIOrgEx_000585 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 K16 compound treatment 0.963 -0.0163 -0.17 0.939 -0.00516 -0.06 -0.158 -0.892 NCIOrgEx_000586 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 K17 compound treatment 0.852 -0.127 -1.32 0.835 -0.109 -1.17 -1.7565 -0.9981 NCIOrgEx_000587 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 K18 compound treatment 0.701 -0.278 -2.88 0.697 -0.247 -2.64 -3.9049 -0.999 NCIOrgEx_000588 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 K19 compound treatment 1.147 0.168 1.74 1.101 0.157 1.68 2.4133 0.9998 NCIOrgEx_000589 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 K20 compound treatment 1.246 0.267 2.76 1.232 0.288 3.08 4.128 0.9986 NCIOrgEx_000590 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 K21 compound treatment 0.857 -0.122 -1.27 0.824 -0.12 -1.28 -1.803 -1.0 NCIOrgEx_000591 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 K22 compound treatment 0.89 -0.0892 -0.92 0.922 -0.0222 -0.24 -0.821 -0.8604 NCIOrgEx_000592 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 K23 compound treatment 0.9 -0.0792 -0.82 0.839 -0.105 -1.12 -1.3748 -0.9881 NCIOrgEx_000593 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 K24 compound treatment 0.878 -0.101 -1.05 0.828 -0.116 -1.24 -1.619 -0.9965 NCIOrgEx_000594 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 L01 mock treatment 0.724 -0.255 -2.64 0.643 -0.301 -3.22 -4.1443 -0.9952 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 L02 mock treatment 0.905 -0.0742 -0.77 0.871 -0.0732 -0.78 -1.0964 -1.0 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 L03 compound treatment 0.938 -0.0413 -0.43 0.961 0.0168 0.18 -0.1749 -0.3772 NCIOrgEx_000595 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 L04 compound treatment 0.905 -0.0742 -0.77 0.934 -0.0102 -0.11 -0.6205 -0.799 NCIOrgEx_000596 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 L05 compound treatment 0.144 -0.835 -8.65 0.145 -0.799 -8.54 -12.154 -1.0 NCIOrgEx_000597 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 L06 compound treatment 1.02 0.0408 0.42 1.034 0.0898 0.96 0.9771 0.9319 NCIOrgEx_000598 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 L07 compound treatment 0.169 -0.81 -8.39 0.222 -0.722 -7.72 -11.3892 -0.9991 NCIOrgEx_000599 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 L08 compound treatment 0.959 -0.0203 -0.21 0.971 0.0268 0.29 0.0545 0.1533 NCIOrgEx_000600 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 L09 compound treatment 1.052 0.0728 0.75 1.101 0.157 1.68 1.7176 0.9349 NCIOrgEx_000601 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 L10 compound treatment 1.068 0.0888 0.92 1.168 0.224 2.39 2.3409 0.9137 NCIOrgEx_000602 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 L11 compound treatment 1.14 0.161 1.66 1.268 0.324 3.46 3.6236 0.9438 NCIOrgEx_000603 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 L12 compound treatment 0.136 -0.843 -8.73 0.146 -0.798 -8.53 -12.205 -0.9999 NCIOrgEx_000604 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 L13 compound treatment 0.95 -0.0293 -0.3 0.923 -0.0212 -0.23 -0.374 -0.9896 NCIOrgEx_000605 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 L14 compound treatment 0.603 -0.376 -3.9 0.648 -0.296 -3.16 -4.9927 -0.9947 NCIOrgEx_000606 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 L15 compound treatment 0.91 -0.0692 -0.72 0.896 -0.0482 -0.51 -0.871 -0.9867 NCIOrgEx_000607 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 L16 compound treatment 1.073 0.0938 0.97 1.096 0.152 1.62 1.8336 0.9699 NCIOrgEx_000608 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 L17 compound treatment 0.87 -0.109 -1.13 0.866 -0.0782 -0.83 -1.3905 -0.9888 NCIOrgEx_000609 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 L18 compound treatment 1.043 0.0638 0.66 1.005 0.0608 0.65 0.9265 1.0 NCIOrgEx_000610 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 L19 compound treatment 0.976 -0.00325 -0.03 0.962 0.0178 0.19 0.111 0.5734 NCIOrgEx_000611 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 L20 compound treatment 1.286 0.307 3.18 1.298 0.354 3.78 4.9195 0.9963 NCIOrgEx_000612 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 L21 compound treatment 1.03 0.0508 0.53 1.048 0.104 1.11 1.1561 0.9418 NCIOrgEx_000613 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 L22 compound treatment 1.255 0.276 2.86 1.245 0.301 3.21 4.2921 0.9983 NCIOrgEx_000614 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 L23 compound treatment 0.838 -0.141 -1.46 0.886 -0.0582 -0.62 -1.4738 -0.9273 NCIOrgEx_000615 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 L24 compound treatment 0.776 -0.203 -2.11 0.766 -0.178 -1.9 -2.8344 -0.9987 NCIOrgEx_000616 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 M01 mock treatment 0.704 -0.275 -2.85 0.711 -0.233 -2.49 -3.7771 -0.9977 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 M02 mock treatment 1.071 0.0917 0.95 1.005 0.0608 0.65 1.1315 0.9828 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 M03 compound treatment 1.094 0.115 1.19 1.037 0.0928 0.99 1.5417 0.996 NCIOrgEx_000617 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 M04 compound treatment 0.93 -0.0492 -0.51 0.92 -0.0242 -0.26 -0.5432 -0.9502 NCIOrgEx_000618 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 M05 compound treatment 0.92 -0.0592 -0.61 0.936 -0.00816 -0.09 -0.4955 -0.7995 NCIOrgEx_000619 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 M06 compound treatment 0.847 -0.132 -1.37 0.872 -0.0722 -0.77 -1.5136 -0.963 NCIOrgEx_000620 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 M07 compound treatment 0.937 -0.0422 -0.44 0.9 -0.0442 -0.47 -0.643 -0.9993 NCIOrgEx_000621 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 M08 compound treatment 1.029 0.0498 0.52 1.019 0.0748 0.8 0.9297 0.9774 NCIOrgEx_000622 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 M09 compound treatment 1.024 0.0448 0.46 1.096 0.152 1.62 1.4748 0.8742 NCIOrgEx_000623 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 M10 compound treatment 0.754 -0.225 -2.33 0.726 -0.218 -2.33 -3.2976 -1.0 NCIOrgEx_000624 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 M11 compound treatment 0.941 -0.0382 -0.4 0.926 -0.0182 -0.19 -0.4173 -0.946 NCIOrgEx_000625 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 M12 compound treatment 0.964 -0.0153 -0.16 0.936 -0.00816 -0.09 -0.1733 -0.9607 NCIOrgEx_000626 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 M13 compound treatment 0.87 -0.109 -1.13 0.874 -0.0702 -0.75 -1.3301 -0.98 NCIOrgEx_000627 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 M14 compound treatment 0.95 -0.0293 -0.3 0.971 0.0268 0.29 -0.0114 -0.0274 NCIOrgEx_000628 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 M15 compound treatment 0.998 0.0187 0.19 1.023 0.0788 0.84 0.7329 0.8479 NCIOrgEx_000629 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 M16 compound treatment 0.959 -0.0203 -0.21 0.94 -0.00416 -0.04 -0.1797 -0.8383 NCIOrgEx_000630 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 M17 compound treatment 1.045 0.0658 0.68 1.084 0.14 1.49 1.5379 0.9367 NCIOrgEx_000631 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 M18 compound treatment 0.716 -0.263 -2.73 0.826 -0.118 -1.26 -2.8205 -0.9388 NCIOrgEx_000632 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 M19 compound treatment 0.917 -0.0622 -0.64 0.934 -0.0102 -0.11 -0.5326 -0.8147 NCIOrgEx_000633 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 M20 compound treatment 0.914 -0.0652 -0.68 0.902 -0.0422 -0.45 -0.7963 -0.9806 NCIOrgEx_000634 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 M21 compound treatment 1.087 0.108 1.12 1.08 0.136 1.45 1.8153 0.9916 NCIOrgEx_000635 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 M22 compound treatment 0.938 -0.0413 -0.43 0.961 0.0168 0.18 -0.1749 -0.3772 NCIOrgEx_000636 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 M23 compound treatment 0.874 -0.105 -1.09 0.821 -0.123 -1.32 -1.7012 -0.9956 NCIOrgEx_000637 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 M24 compound treatment 0.863 -0.116 -1.2 0.864 -0.0802 -0.86 -1.4569 -0.9861 NCIOrgEx_000638 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 N01 mock treatment 0.966 -0.0133 -0.14 0.949 0.00484 0.05 -0.0605 -0.4122 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 N02 mock treatment 0.93 -0.0492 -0.51 0.934 -0.0102 -0.11 -0.4374 -0.8388 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 N03 compound treatment 1.091 0.112 1.16 1.15 0.206 2.2 2.3734 0.9551 NCIOrgEx_000639 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 N04 compound treatment 1.04 0.0608 0.63 1.068 0.124 1.32 1.3804 0.9423 NCIOrgEx_000640 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 N05 compound treatment 1.153 0.174 1.8 1.146 0.202 2.16 2.7972 0.996 NCIOrgEx_000641 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 N06 compound treatment 0.873 -0.106 -1.1 0.887 -0.0572 -0.61 -1.2099 -0.9614 NCIOrgEx_000642 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 N07 compound treatment 1.086 0.107 1.11 1.076 0.132 1.41 1.7778 0.9928 NCIOrgEx_000643 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 N08 compound treatment 1.155 0.176 1.82 1.163 0.219 2.34 2.9403 0.9923 NCIOrgEx_000644 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 N09 compound treatment 0.421 -0.558 -5.78 0.396 -0.548 -5.86 -8.2293 -1.0 NCIOrgEx_000645 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 N10 compound treatment 0.891 -0.0882 -0.91 0.89 -0.0542 -0.58 -1.0554 -0.9757 NCIOrgEx_000646 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 N11 compound treatment 1.271 0.292 3.02 1.248 0.304 3.25 4.4319 0.9994 NCIOrgEx_000647 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 N12 compound treatment 0.156 -0.823 -8.53 0.17 -0.774 -8.27 -11.8773 -0.9999 NCIOrgEx_000648 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 N13 compound treatment 0.15 -0.829 -8.59 0.163 -0.781 -8.35 -11.9741 -0.9999 NCIOrgEx_000649 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 N14 compound treatment 0.983 0.00375 0.04 1.002 0.0578 0.62 0.4644 0.7501 NCIOrgEx_000650 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 N15 compound treatment 1.006 0.0268 0.28 1.008 0.0638 0.68 0.6782 0.9212 NCIOrgEx_000651 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 N16 compound treatment 0.987 0.00775 0.08 1.054 0.11 1.17 0.8865 0.7537 NCIOrgEx_000652 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 N17 compound treatment 0.833 -0.146 -1.51 0.918 -0.0262 -0.28 -1.2687 -0.8237 NCIOrgEx_000653 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 N18 compound treatment 0.916 -0.0632 -0.66 0.903 -0.0412 -0.44 -0.7741 -0.9812 NCIOrgEx_000654 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 N19 compound treatment 0.94 -0.0393 -0.41 0.935 -0.00916 -0.1 -0.3566 -0.8529 NCIOrgEx_000655 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 N20 compound treatment 0.849 -0.13 -1.35 0.84 -0.104 -1.11 -1.7407 -0.9954 NCIOrgEx_000656 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 N21 compound treatment 0.646 -0.333 -3.45 0.678 -0.266 -2.84 -4.4512 -0.9954 NCIOrgEx_000657 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 N22 compound treatment 0.682 -0.297 -3.08 0.654 -0.29 -3.1 -4.3688 -1.0 NCIOrgEx_000658 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 N23 compound treatment 0.811 -0.168 -1.74 0.854 -0.0902 -0.96 -1.9133 -0.9609 NCIOrgEx_000659 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 N24 compound treatment 0.857 -0.122 -1.27 0.841 -0.103 -1.1 -1.6746 -0.9976 NCIOrgEx_000660 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 O01 mock treatment 0.905 -0.0742 -0.77 0.884 -0.0602 -0.64 -0.9982 -0.996 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 O02 mock treatment 0.674 -0.305 -3.16 0.719 -0.225 -2.41 -3.9364 -0.9909 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 O03 compound treatment 1.291 0.312 3.23 1.283 0.339 3.62 4.8428 0.9984 NCIOrgEx_000661 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 O04 compound treatment 0.95 -0.0293 -0.3 1.05 0.106 1.13 0.5853 0.5 NCIOrgEx_000662 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 O05 compound treatment 0.912 -0.0672 -0.7 0.914 -0.0302 -0.32 -0.7203 -0.9386 NCIOrgEx_000663 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 O06 compound treatment 0.96 -0.0193 -0.2 0.959 0.0148 0.16 -0.0289 -0.1133 NCIOrgEx_000664 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 O07 compound treatment 1.102 0.123 1.27 1.095 0.151 1.61 2.0385 0.9931 NCIOrgEx_000665 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 O08 compound treatment 0.87 -0.109 -1.13 0.871 -0.0732 -0.78 -1.3527 -0.9837 NCIOrgEx_000666 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 O09 compound treatment 0.911 -0.0682 -0.71 0.942 -0.00216 -0.02 -0.5161 -0.7298 NCIOrgEx_000667 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 O10 compound treatment 0.96 -0.0193 -0.2 0.946 0.00184 0.02 -0.1271 -0.6342 NCIOrgEx_000668 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 O11 compound treatment 0.86 -0.119 -1.24 0.822 -0.122 -1.31 -1.7961 -0.9996 NCIOrgEx_000669 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 O12 compound treatment 0.56 -0.419 -4.34 0.582 -0.362 -3.87 -5.8062 -0.9983 NCIOrgEx_000670 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 O13 compound treatment 0.808 -0.171 -1.77 0.793 -0.151 -1.61 -2.396 -0.9989 NCIOrgEx_000671 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 O14 compound treatment 1.198 0.219 2.27 1.165 0.221 2.36 3.2703 0.9998 NCIOrgEx_000672 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 O15 compound treatment 0.837 -0.142 -1.47 0.865 -0.0792 -0.85 -1.6397 -0.9653 NCIOrgEx_000673 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 O16 compound treatment 0.916 -0.0632 -0.66 0.854 -0.0902 -0.96 -1.1443 -0.9824 NCIOrgEx_000674 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 O17 compound treatment 0.977 -0.00225 -0.02 0.869 -0.0752 -0.8 -0.5842 -0.7273 NCIOrgEx_000675 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 O18 compound treatment 0.908 -0.0712 -0.74 0.925 -0.0192 -0.2 -0.6665 -0.8704 NCIOrgEx_000676 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 O19 compound treatment 0.818 -0.161 -1.67 0.844 -0.1 -1.07 -1.9375 -0.9769 NCIOrgEx_000677 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 O20 compound treatment 0.043 -0.936 -9.7 0.047 -0.897 -9.58 -13.634 -1.0 NCIOrgEx_000678 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 O21 compound treatment 0.855 -0.124 -1.29 0.84 -0.104 -1.11 -1.6968 -0.9974 NCIOrgEx_000679 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 O22 compound treatment 1.168 0.189 1.95 1.176 0.232 2.48 3.1337 0.9931 NCIOrgEx_000680 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 O23 compound treatment 0.828 -0.151 -1.57 0.823 -0.121 -1.29 -2.0229 -0.9955 NCIOrgEx_000681 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 O24 compound treatment 0.877 -0.102 -1.06 0.867 -0.0772 -0.82 -1.3317 -0.9923 NCIOrgEx_000682 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 P01 mock treatment 0.933 -0.0462 -0.48 0.899 -0.0452 -0.48 -0.6798 -1.0 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 P02 mock treatment 1.001 0.0217 0.23 0.964 0.0198 0.21 0.3092 0.9995 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 P03 compound treatment 0.929 -0.0502 -0.52 0.937 -0.00716 -0.08 -0.4221 -0.8024 NCIOrgEx_000683 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 P04 compound treatment 0.822 -0.157 -1.63 0.902 -0.0422 -0.45 -1.4701 -0.87 NCIOrgEx_000684 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 P05 compound treatment 0.937 -0.0422 -0.44 0.981 0.0368 0.39 -0.0311 -0.0529 NCIOrgEx_000685 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 P06 compound treatment 1.098 0.119 1.23 1.056 0.112 1.19 1.7145 0.9999 NCIOrgEx_000686 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 P07 compound treatment 0.849 -0.13 -1.35 0.855 -0.0892 -0.95 -1.6274 -0.9855 NCIOrgEx_000687 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 P08 compound treatment 1.019 0.0398 0.41 1.015 0.0708 0.76 0.8263 0.959 NCIOrgEx_000688 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 P09 compound treatment 0.045 -0.934 -9.68 0.047 -0.897 -9.58 -13.6193 -1.0 NCIOrgEx_000689 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 P10 compound treatment 0.978 -0.00125 -0.01 1.076 0.132 1.41 0.9868 0.7006 NCIOrgEx_000690 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 P11 compound treatment 1.227 0.248 2.57 1.259 0.315 3.36 4.1928 0.9911 NCIOrgEx_000691 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 P12 compound treatment 1.12 0.141 1.46 1.105 0.161 1.72 2.2458 0.9967 NCIOrgEx_000692 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 P13 compound treatment 0.894 -0.0852 -0.88 0.936 -0.00816 -0.09 -0.686 -0.7731 NCIOrgEx_000693 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 P14 compound treatment 0.92 -0.0592 -0.61 0.913 -0.0312 -0.33 -0.6693 -0.9587 NCIOrgEx_000694 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 P15 compound treatment 0.868 -0.111 -1.15 0.868 -0.0762 -0.81 -1.3901 -0.9855 NCIOrgEx_000695 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 P16 compound treatment 0.801 -0.178 -1.85 0.873 -0.0712 -0.76 -1.843 -0.9231 NCIOrgEx_000696 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 P17 compound treatment 0.937 -0.0422 -0.44 0.929 -0.0152 -0.16 -0.4239 -0.9086 NCIOrgEx_000697 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 P18 compound treatment 1.431 0.452 4.68 1.475 0.531 5.67 7.3185 0.9954 NCIOrgEx_000698 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 P19 compound treatment 0.948 -0.0313 -0.32 0.917 -0.0272 -0.29 -0.434 -0.9985 NCIOrgEx_000699 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 P20 compound treatment 0.813 -0.166 -1.72 0.853 -0.0912 -0.97 -1.9062 -0.9636 NCIOrgEx_000700 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 P21 compound treatment 1.091 0.112 1.16 1.05 0.106 1.13 1.618 0.9999 NCIOrgEx_000701 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 P22 compound treatment 1.225 0.246 2.55 1.163 0.219 2.34 3.4529 0.9991 NCIOrgEx_000702 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 P23 compound treatment 0.871 -0.108 -1.12 0.832 -0.112 -1.2 -1.64 -0.9994 NCIOrgEx_000703 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.1076 P24 compound treatment 0.815 -0.164 -1.7 0.826 -0.118 -1.26 -2.0955 -0.9892 NCIOrgEx_000704 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 A01 compound treatment 0.879 0.0393 0.41 0.744 -0.0361 -0.39 0.0152 0.0272 3178771 Maybridge4_002465 FC(F)(F)c1ccc(NC(=O)c2ccc3OCCc3c2)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 A02 compound treatment 0.868 0.0283 0.29 0.841 0.0609 0.65 0.6674 0.9354 3178772 Maybridge4_002466 COc1cc(nc2ccc(C)c(NC(=O)Nc3ccc(OC(F)(F)F)cc3)c12)C(F)(F)F 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 A03 compound treatment 1.075 0.235 2.44 1.023 0.243 2.59 3.5583 0.9995 1345781 Maybridge4_002467 O=C1N(CC2COc3ccccc3O2)C(=O)c4ccccc14 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 A04 compound treatment 0.867 0.0273 0.28 0.799 0.0189 0.2 0.3428 0.9861 1377469 Maybridge4_002468 CN(C)CC#Cc1cncc(c1)C(=O)NN 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 A05 compound treatment 1.197 0.357 3.7 1.162 0.382 4.08 5.5018 0.9988 1734397 Maybridge4_002469 Brc1cc2CCOc2c(c1)C(=O)N3CCCCC3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 A06 compound treatment 0.996 0.156 1.62 0.987 0.207 2.21 2.7078 0.9883 3178773 Maybridge4_002470 FC(F)(F)c1ccc2cc(CSc3ccc(Cl)cc3)ccc2n1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 A07 compound treatment 0.739 -0.101 -1.04 0.687 -0.0931 -0.99 -1.4406 -0.9997 3064295 Maybridge4_002471 COc1ccc(OC(=O)c2csc(COc3ccc4nonc4c3)n2)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 A08 compound treatment 0.859 0.0193 0.2 0.733 -0.0471 -0.5 -0.2143 -0.3955 1124957 Maybridge4_002472 Fc1ccc(cc1)S(=O)(=O)CCN2CCC(CC2)n3cccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 A09 compound treatment 0.052 -0.788 -8.16 0.059 -0.721 -7.7 -11.216 -0.9996 3064326 Maybridge4_002473 Cc1nn(Cc2ccc(o2)C(=O)Sc3ccc(cn3)C(F)(F)F)c(C)c1Br 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 A10 compound treatment 1.25 0.41 4.25 1.249 0.469 5.01 6.5472 0.9967 1618157 Maybridge4_002474 CCOC(=O)c1c(SC)nc2ccc(Cl)cc2c1N3CCOCC3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 A11 compound treatment 0.888 0.0483 0.5 0.845 0.0649 0.69 0.8441 0.9873 1711585 Maybridge4_002475 CCOC(=O)NC(=O)c1cn(Cc2cccs2)c(=O)n(C)c1=O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 A12 compound treatment 0.171 -0.669 -6.93 0.163 -0.617 -6.59 -9.5588 -0.9997 3064327 Maybridge4_002476 FC(F)(F)c1cc(N2CCN(CC2)C(=O)c3cccs3)c4ccccc4n1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 A13 compound treatment 1.301 0.461 4.78 1.353 0.573 6.12 7.7063 0.9925 3064329 Maybridge4_002477 Cc1ccc(cc1)S(=O)(=O)NCCSc2cc(nc3ccccc23)C(F)(F)F 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 A14 compound treatment 1.273 0.433 4.49 1.275 0.495 5.29 6.912 0.9967 3064330 Maybridge4_002478 Clc1ccc(NC(=O)OCC#Cc2ccc(C#N)cc2)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 A15 compound treatment 1.211 0.371 3.85 1.201 0.421 4.5 5.8989 0.997 3064331 Maybridge4_002479 COC(=O)c1scc2c(SCc3ccccc3)cc(nc12)C(F)(F)F 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 A16 compound treatment 1.165 0.325 3.37 1.156 0.376 4.02 5.2221 0.9962 3178850 Maybridge4_002480 CCCNC(=O)Nc1ccc(OC(F)(F)F)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 A17 compound treatment 0.831 -0.00866 -0.09 0.775 -0.00512 -0.05 -0.1021 -0.972 1220133 Maybridge4_002481 COC(=O)c1sccc1n2cc(C#N)c(=O)n(C)c2=O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 A18 compound treatment 1.098 0.258 2.68 1.111 0.331 3.53 4.3915 0.9906 1288518 Maybridge4_002482 O=c1[nH]nc(CSc2ccccn2)c3ccccc13 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 A19 compound treatment 1.111 0.271 2.81 1.052 0.272 2.9 4.041 0.9999 1196923 Maybridge4_002483 Cn1c(=O)c(cn(c2ccccc2)c1=O)C(=S)N 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 A20 compound treatment 1.082 0.242 2.51 1.05 0.27 2.88 3.8135 0.9976 3178851 Maybridge4_002484 COc1ccc(NC(=O)N(Cc2ccccc2)C(=O)CC#N)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 A21 compound treatment 0.076 -0.764 -7.91 0.071 -0.709 -7.58 -10.9496 -0.9998 1562266 Maybridge4_002485 Clc1ccccc1C(=O)CSC2=NCCc3ccccc23 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 A22 compound treatment 1.007 0.167 1.73 1.031 0.251 2.68 3.1207 0.9777 3064332 Maybridge4_002486 FC(F)(F)c1cc(Oc2ccc(Cl)cc2)c3cc(Cl)ccc3n1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 A23 mock treatment 0.878 0.0383 0.4 0.8 0.0199 0.21 0.431 0.957 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 A24 mock treatment 0.8 -0.0397 -0.41 0.787 0.00688 0.07 -0.2385 -0.5716 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 B01 compound treatment 0.885 0.0453 0.47 0.816 0.0359 0.38 0.6031 0.9949 1234192 Maybridge4_002487 Cc1nc(ncc1S(=O)(=O)c2ccc(Cl)cc2)C3COc4ccccc4O3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 B02 compound treatment 0.807 -0.0327 -0.34 0.794 0.0139 0.15 -0.1343 -0.3638 3064333 Maybridge4_002488 COC(=O)c1cc2cc(Br)ccc2s1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 B03 compound treatment 1.11 0.27 2.8 1.07 0.29 3.1 4.1697 0.9987 1523364 Maybridge4_002489 Cc1ccccc1NC(=O)NCCc2ccccc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 B04 compound treatment 0.975 0.135 1.4 0.963 0.183 1.95 2.3727 0.9867 3064334 Maybridge4_002490 Cc1c(sc2ccc(Cl)cc12)C(=O)COC(=O)c3ccccc3C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 B05 compound treatment 0.913 0.0733 0.76 0.874 0.0939 1.0 1.2463 0.9906 3178852 Maybridge4_002491 Cc1cccc(C)c1NC(=O)N(Cc2ccccc2)C(=O)CC#N 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 B06 compound treatment 1.136 0.296 3.07 1.157 0.377 4.03 5.0173 0.991 3064335 Maybridge4_002492 Cc1c(sc2ccccc12)c3ccnn3C(=O)Nc4ccccc4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 B07 compound treatment 1.043 0.203 2.11 0.987 0.207 2.21 3.052 0.9997 1235231 Maybridge4_002493 COC(=O)c1ccc(CN(C(=O)C)C(=O)Nc2ccc(cc2C)C(=O)OC)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 B08 compound treatment 0.831 -0.00866 -0.09 0.77 -0.0101 -0.11 -0.1399 -0.9956 3178853 Maybridge4_002494 Clc1ccccc1NC(=S)N2CCOC2c3c[nH]c4ccccc34 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 B09 compound treatment 1.121 0.281 2.91 1.111 0.331 3.53 4.5599 0.9954 3064336 Maybridge4_002495 C=CCn1c(SCc2ccccc2)nnc1c3ccc4ncccc4c3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 B10 compound treatment 1.096 0.256 2.65 1.084 0.304 3.25 4.1729 0.995 3064337 Maybridge4_002496 O=C(CCSc1ccccc1)c2cccs2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 B11 compound treatment 0.954 0.114 1.18 0.931 0.151 1.61 1.9771 0.9885 3178854 Maybridge4_002497 CC(C)n1c(nc2cc(ccc12)C(=O)Nc3ccc(Cl)cc3)C(F)(F)F 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 B12 compound treatment 0.144 -0.696 -7.2 0.136 -0.644 -6.88 -9.9605 -0.9997 1241391 Maybridge4_002498 Clc1cccc(NC(=O)OC2CCCCc3cccnc23)c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 B13 compound treatment 0.644 -0.196 -2.03 0.613 -0.167 -1.79 -2.6954 -0.998 1376937 Maybridge4_002499 CCc1ccc2[nH]c(cc2c1)C(=O)NCCc3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 B14 compound treatment 1.173 0.333 3.45 1.145 0.365 3.9 5.1976 0.9982 3178855 Maybridge4_002500 FC(F)(F)COc1ccc(Sc2ncccn2)c(OCC(F)(F)F)c1C#N 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 B15 compound treatment 0.822 -0.0177 -0.18 0.793 0.0129 0.14 -0.032 -0.14 1581778 Maybridge4_002501 Clc1ccc(cc1)c2ccc(s2)C(=O)NC(=O)c3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 B16 compound treatment 0.959 0.119 1.24 1.002 0.222 2.37 2.5501 0.9539 1626834 Maybridge4_002502 C(N1CCC(=N1)c2ccco2)c3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 B17 compound treatment 1.201 0.361 3.74 1.083 0.303 3.24 4.9343 0.9974 3064338 Maybridge4_002503 O=C(NC(=S)NCc1ccccc1)/C=C/c2cccs2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 B18 compound treatment 1.248 0.408 4.23 1.311 0.531 5.67 7.0009 0.9896 3178856 Maybridge4_002504 OCCn1nc(c2cc(cc(c2)C(F)(F)F)C(F)(F)F)c3ccccc3c1=O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 B19 compound treatment 0.948 0.108 1.12 0.893 0.113 1.21 1.6461 0.9994 1406037 Maybridge4_002505 COc1ccc(cc1)c2csc(n2)c3ccc(OC)cc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 B20 compound treatment 0.891 0.0513 0.53 0.835 0.0549 0.59 0.7906 0.9988 1528457 Maybridge4_002506 COc1ccc(cc1)c2nn(CCC#N)c(=O)[nH]2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 B21 compound treatment 1.065 0.225 2.33 1.064 0.284 3.03 3.7948 0.9916 3064339 Maybridge4_002507 Cc1ccc(CC(=O)c2cccnc2)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 B22 compound treatment 1.012 0.172 1.78 0.91 0.13 1.39 2.2433 0.9922 3178857 Maybridge4_002508 CCOC(=O)NC(=S)N1C(C)CCCC1C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 B23 mock treatment 0.85 0.0103 0.11 0.878 0.0979 1.05 0.8151 0.7755 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 B24 mock treatment 0.904 0.0643 0.67 0.817 0.0369 0.39 0.7498 0.9685 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 C01 compound treatment 1.069 0.229 2.38 1.005 0.225 2.4 3.3784 1.0 3178858 Maybridge4_002509 Cn1c(S)nnc1C2COc3ccccc3O2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 C02 compound treatment 1.091 0.251 2.6 1.008 0.228 2.43 3.5621 0.9994 3064341 Maybridge4_002510 CCOC(=O)c1cncc(C#CCOC(=O)Nc2cc(Cl)cc(Cl)c2)c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 C03 compound treatment 1.257 0.417 4.32 1.264 0.484 5.17 6.7117 0.996 1514783 Maybridge4_002511 Clc1ccc(cc1)C(=O)NCC2COc3ccccc3O2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 C04 compound treatment 1.029 0.189 1.96 0.97 0.19 2.03 2.821 0.9999 3064342 Maybridge4_002512 CSc1nn(cc1c2nc(cs2)c3ccccc3)c4ccccc4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 C05 compound treatment 0.845 0.00534 0.06 0.798 0.0179 0.19 0.1742 0.876 3064366 Maybridge4_002513 COc1cccn(CC(=O)NN)c1=O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 C06 compound treatment 1.06 0.22 2.28 1.059 0.279 2.98 3.7204 0.9913 3064367 Maybridge4_002514 Clc1ccc(Cl)c(c1)S(=O)(=O)n2ccc(n2)c3ccc(Br)s3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 C07 compound treatment 0.626 -0.214 -2.21 0.54 -0.24 -2.57 -3.3787 -0.9973 1600605 Maybridge4_002515 Clc1ccc(NC(=O)c2csc(COc3ccc4nonc4c3)n2)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 C08 compound treatment 0.793 -0.0467 -0.48 0.801 0.0209 0.22 -0.184 -0.3457 1505462 Maybridge4_002516 Cc1ccc(cc1)S(=O)(=O)CCN2CCC(CC2)n3cccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 C09 compound treatment 1.187 0.347 3.6 1.19 0.41 4.38 5.6401 0.9952 3064368 Maybridge4_002517 CSc1nc2ccc(NS(=O)(=O)c3ccccc3C(F)(F)F)cc2s1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 C10 compound treatment 1.223 0.383 3.97 1.188 0.408 4.36 5.8886 0.9989 3064369 Maybridge4_002518 CCOC(=O)c1c(SC)nc2c(cccc2c1N3CCCC3)C(F)(F)F 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 C11 compound treatment 1.058 0.218 2.26 1.026 0.246 2.63 3.4564 0.9972 3064371 Maybridge4_002519 Cn1c(S)nnc1CSc2cc(nc3ccccc23)C(F)(F)F 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 C12 compound treatment 0.2 -0.64 -6.62 0.195 -0.585 -6.25 -9.1047 -0.9996 3064373 Maybridge4_002520 FC(F)(F)c1cccc(c1)N2C(=O)C3SCCN3C2=S 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 C13 compound treatment 1.304 0.464 4.81 1.313 0.533 5.69 7.4261 0.9965 3178859 Maybridge4_002521 O=C(Nc1ccccc1)OCC#Cc2ccc(s2)c3ccccn3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 C14 compound treatment 1.236 0.396 4.1 1.229 0.449 4.8 6.2935 0.997 3064374 Maybridge4_002522 FC(F)(F)Oc1ccc(NC(=O)OCC#Cc2ccc(C#N)cc2)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 C15 compound treatment 1.136 0.296 3.07 1.035 0.255 2.72 4.0957 0.9982 1566879 Maybridge4_002523 CCOC(=O)Cn1c(=O)c(cn(C(C)C)c1=O)c2nc(cs2)c3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 C16 compound treatment 0.077 -0.763 -7.9 0.063 -0.717 -7.66 -11.0027 -0.9999 1528772 Maybridge4_002524 Cc1ccc(OC(=O)c2c(nnc3ccccc23)c4ccccc4)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 C17 compound treatment 0.19 -0.65 -6.73 0.179 -0.601 -6.42 -9.2988 -0.9997 1617239 Maybridge4_002525 Clc1ccc(Cn2ccnc2COC(=O)Nc3ccc(Cl)cc3)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 C18 compound treatment 0.857 0.0173 0.18 0.808 0.0279 0.3 0.3376 0.9707 1164357 Maybridge4_002526 COC(=O)CSCc1n[nH]c(=O)c2ccccc12 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 C19 compound treatment 0.924 0.0843 0.87 0.742 -0.0381 -0.41 0.3297 0.3421 3178860 Maybridge4_002527 Cn1c(=O)c(cn(c2ccccc2)c1=O)/C(=N/O)/N 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 C20 compound treatment 1.038 0.198 2.05 1.176 0.396 4.23 4.4431 0.945 3178861 Maybridge4_002528 Fc1cccc(NC(=O)N(Cc2ccccc2)C(=O)CC#N)c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 C21 compound treatment 0.766 -0.0737 -0.76 0.704 -0.0761 -0.81 -1.1145 -0.9995 1734152 Maybridge4_002529 CC(C)(C)OC(=O)N1CCN(CCNC(=O)c2ccc(Cl)cc2)CC1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 C22 compound treatment 1.042 0.202 2.1 1.022 0.242 2.58 3.309 0.9946 1710452 Maybridge4_002530 COc1ccc(NC(=O)Nc2ccc(OC)c(OC3CCCC3)c2)cc1OC4CCCC4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 C23 mock treatment 0.811 -0.0287 -0.3 0.779 -0.00112 -0.01 -0.2184 -0.7351 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 C24 mock treatment 0.883 0.0433 0.45 0.842 0.0619 0.66 0.7848 0.9822 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 D01 compound treatment 1.037 0.197 2.04 0.956 0.176 1.88 2.7739 0.9991 3064376 Maybridge4_002531 Cc1ccccc1NC(=O)N(Cc2cccs2)C(=O)CC#N 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 D02 compound treatment 0.978 0.138 1.43 0.981 0.201 2.15 2.5306 0.9807 3178862 Maybridge4_002532 Cc1nc2ccc(NS(=O)(=O)c3ccccc3C(F)(F)F)cc2o1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 D03 compound treatment 1.478 0.638 6.61 1.332 0.552 5.9 8.8439 0.9984 3064377 Maybridge4_002533 FC(F)(F)c1cccc(NC(=S)Nc2cc(n[nH]2)c3cccs3)c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 D04 compound treatment 0.973 0.133 1.38 1.139 0.359 3.83 3.6876 0.9049 3178863 Maybridge4_002534 Cc1nc(cs1)c2sc3ccc(Cl)cc3c2C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 D05 compound treatment 1.43 0.59 6.11 1.415 0.635 6.78 9.1194 0.9987 1387292 Maybridge4_002535 CCCOc1cc(ccc1OC)C(=O)N 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 D06 compound treatment 0.951 0.111 1.15 0.917 0.137 1.46 1.8494 0.9931 3064378 Maybridge4_002536 Cc1c(sc2ccccc12)c3ccnn3C(=O)c4ccc(cc4)C(F)(F)F 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 D07 compound treatment 0.83 -0.00966 -0.1 0.823 0.0429 0.46 0.2532 0.54 1130276 Maybridge4_002537 CSc1ccccc1CNC(=O)NC2(CC3CC4CC(C3)C2)C4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 D08 compound treatment 0.719 -0.121 -1.25 0.72 -0.0601 -0.64 -1.3378 -0.9521 3064379 Maybridge4_002538 FC(F)(F)c1ccc(CSc2nccc(n2)c3cccnc3)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 D09 compound treatment 0.786 -0.0537 -0.56 0.745 -0.0351 -0.38 -0.6583 -0.9817 3178864 Maybridge4_002539 CCOC(=O)CSc1nnc(c2ccc3ncccc3c2)n1C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 D10 compound treatment 0.833 -0.00666 -0.07 0.837 0.0569 0.61 0.3809 0.6229 3178865 Maybridge4_002540 Cc1c(sc2ccccc12)C(=S)Nc3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 D11 compound treatment 0.833 -0.00666 -0.07 0.805 0.0249 0.27 0.1392 0.5069 3064380 Maybridge4_002541 CC(C)n1c(nc2cc(ccc12)C(=O)N3CCOCC3)C(F)(F)F 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 D12 compound treatment 0.818 -0.0217 -0.22 0.751 -0.0291 -0.31 -0.3786 -0.9871 1150832 Maybridge4_002542 Nc1nccc(n1)c2ccc(NC(=O)Nc3ccccc3)cc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 D13 compound treatment 1.01 0.17 1.76 0.961 0.181 1.93 2.6139 0.999 3064381 Maybridge4_002543 CCc1ccc2[nH]c(cc2c1)C(=O)Nc3ccc(c(C#N)c3)C(F)(F)F 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 D14 compound treatment 1.128 0.288 2.99 1.11 0.33 3.52 4.6036 0.9966 3178947 Maybridge4_002544 FC(F)(F)COc1ccc(SCc2ccccc2)c(OCC(F)(F)F)c1C#N 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 D15 compound treatment 1.157 0.317 3.29 1.182 0.402 4.29 5.3599 0.9913 1264919 Maybridge4_002545 CC(C)(C)c1ccc(s1)C(=O)OCc2ccc3OCOc3c2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 D16 compound treatment 0.727 -0.113 -1.17 0.721 -0.0591 -0.63 -1.2717 -0.9585 3064382 Maybridge4_002546 CN1CCC(=N1)/C=C/c2cccs2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 D17 compound treatment 1.13 0.29 3.01 1.101 0.321 3.43 4.5503 0.9979 3178948 Maybridge4_002547 O=C(NC(=S)N1CCCCC1)/C=C/c2cccs2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 D18 compound treatment 1.346 0.506 5.24 1.294 0.514 5.49 7.5902 0.9997 3064383 Maybridge4_002548 Cn1nc(c2cc(cc(c2)C(F)(F)F)C(F)(F)F)c3ccccc3c1=O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 D19 compound treatment 0.1 -0.74 -7.66 0.093 -0.687 -7.34 -10.6076 -0.9998 1464348 Maybridge4_002549 COc1ccc(cc1)C(=O)CSC2=NCCCCCC2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 D20 compound treatment 1.167 0.327 3.39 1.154 0.374 3.99 5.2216 0.9967 3064384 Maybridge4_002550 CC(C)(C)C(=O)NC(=S)Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 D21 compound treatment 0.841 0.00134 0.01 0.774 -0.00612 -0.07 -0.0364 -0.5445 3178949 Maybridge4_002551 O=C(Cc1cccc(Oc2ccccc2)c1)c3cccc(C#N)c3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 D22 compound treatment 0.718 -0.122 -1.26 0.67 -0.11 -1.18 -1.7229 -0.9994 3064385 Maybridge4_002552 CC1CCCC(C)N1c2nn(C)c(=O)[nH]2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 D23 mock treatment 0.869 0.0293 0.3 0.835 0.0549 0.59 0.6294 0.9532 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 D24 mock treatment 0.83 -0.00966 -0.1 0.771 -0.00912 -0.1 -0.1397 -0.9999 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 E01 compound treatment 0.851 0.0113 0.12 0.716 -0.0641 -0.69 -0.4013 -0.5774 3064421 Maybridge4_002553 Cn1c(SCc2ccc(F)cc2)nnc1C3COc4ccccc4O3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 E02 compound treatment 0.951 0.111 1.15 0.902 0.122 1.3 1.7361 0.9982 3064422 Maybridge4_002554 CCOC(=O)c1cncc(C#CCOC(=O)Nc2ccc(OC(F)(F)F)cc2)c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 E03 compound treatment 0.964 0.124 1.29 0.91 0.13 1.39 1.8917 0.9993 1569623 Maybridge4_002555 Clc1ccc(NC(=O)NCC2COc3ccccc3O2)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 E04 compound treatment 0.987 0.147 1.53 0.946 0.166 1.77 2.3321 0.9972 3064423 Maybridge4_002556 C/S(=N\S(=O)(=O)c1cccc2nsnc12)/c3ncc(Cl)cc3C(F)(F)F 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 E05 compound treatment 0.894 0.0543 0.56 0.91 0.13 1.39 1.3791 0.9211 1912560 Maybridge4_002557 CNC(=O)N(c1ccccc1)c2ccccc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 E06 compound treatment 0.987 0.147 1.53 0.963 0.183 1.95 2.4606 0.9925 1719037 Maybridge4_002558 Clc1ccc(cc1)C(=O)OCc2sccc2Oc3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 E07 compound treatment 0.498 -0.342 -3.54 0.49 -0.29 -3.1 -4.6938 -0.9978 3064424 Maybridge4_002559 Clc1ccc(SC(=O)c2csc(n2)c3ccc4nonc4c3)c(Cl)c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 E08 compound treatment 0.678 -0.162 -1.67 0.645 -0.135 -1.44 -2.2047 -0.9973 1379034 Maybridge4_002560 Cc1ccc(SC(=O)c2ccc(C#Cc3ccccc3)o2)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 E09 compound treatment 0.895 0.0553 0.57 0.861 0.0809 0.86 1.0163 0.9801 3178950 Maybridge4_002561 O=C1CC2Sc3ccccc3N=C2N1Cc4ccccn4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 E10 compound treatment 1.019 0.179 1.86 0.97 0.19 2.03 2.7478 0.999 3064426 Maybridge4_002562 CCOC(=O)c1c(Oc2ccc(OC)cc2)c3cccc(c3nc1SC)C(F)(F)F 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 E11 compound treatment 0.813 -0.0267 -0.28 0.777 -0.00312 -0.03 -0.2188 -0.7869 3178951 Maybridge4_002563 Cn1cc(/C(=N/O)/N)c(=O)n(Cc2ccccc2)c1=O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 E12 compound treatment 1.036 0.196 2.03 1.025 0.245 2.62 3.2878 0.9922 3178952 Maybridge4_002564 COC(=O)C(Cc1csc2ccc(Cl)cc12)NC(=O)c3ccc(cc3)C(F)(F)F 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 E13 compound treatment 1.259 0.419 4.34 1.242 0.462 4.93 6.5602 0.998 1645379 Maybridge4_002565 CC(C)n1cc(c2nc(C)cs2)c(=O)n(Cc3ccccc3)c1=O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 E14 compound treatment 1.208 0.368 3.81 1.166 0.386 4.12 5.6126 0.9993 3064427 Maybridge4_002566 O=C(OCC#Cc1ccc(C#N)cc1)c2ccccc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 E15 compound treatment 1.189 0.349 3.62 1.21 0.43 4.59 5.8058 0.993 3178953 Maybridge4_002567 COC(=O)c1scc2c(Oc3ccccc3C(F)(F)F)cc(nc12)C(F)(F)F 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 E16 compound treatment 0.733 -0.107 -1.1 0.714 -0.0661 -0.71 -1.2806 -0.9767 3178954 Maybridge4_002568 CC(C)(C)c1cc2nc(cc(N3CCN(CC3)c4ccc(cn4)C(F)(F)F)n2n1)C(F)(F)F 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 E17 compound treatment 0.147 -0.693 -7.17 0.153 -0.627 -6.7 -9.8101 -0.9994 3064428 Maybridge4_002569 Cc1ccc(SCc2nccn2Cc3ccc(Cl)cc3)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 E18 compound treatment 0.909 0.0693 0.72 0.899 0.119 1.27 1.4058 0.9636 3178955 Maybridge4_002570 Cn1c(Cc2nc(no2)c3cnccn3)nnc1SCc4ccc(Cl)cc4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 E19 compound treatment 0.977 0.137 1.42 0.96 0.18 1.92 2.3647 0.989 1530658 Maybridge4_002571 Cc1c(sc2ccc(Cl)cc12)S(=O)(=O)N=S(=O)(C)c3ccc(C)cc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 E20 compound treatment 1.121 0.281 2.91 1.086 0.306 3.27 4.3711 0.9984 1174825 Maybridge4_002572 Cn1c(S)nnc1CCN(Cc2ccco2)S(=O)(=O)c3ccc(Cl)cc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 E21 compound treatment 0.103 -0.737 -7.63 0.104 -0.676 -7.22 -10.5025 -0.9996 1683285 Maybridge4_002573 COc1ccc(cc1)C(=O)CSC2=NCCc3ccccc23 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 E22 compound treatment 1.054 0.214 2.22 0.951 0.171 1.83 2.8606 0.9953 1586313 Maybridge4_002574 COc1ccc(NC(=O)Nc2cc(F)cc(F)c2)cc1OC3CCCC3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 E23 mock treatment 0.879 0.0393 0.41 0.804 0.0239 0.26 0.4685 0.9745 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 E24 mock treatment 0.882 0.0423 0.44 0.822 0.0419 0.45 0.6264 1.0 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 F01 compound treatment 1.074 0.234 2.43 0.97 0.19 2.03 3.1506 0.996 1006297 Maybridge4_002575 Clc1ccc(CCc2ccc(Cl)cc2)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 F02 compound treatment 0.794 -0.0457 -0.47 0.741 -0.0391 -0.42 -0.6299 -0.9981 3178956 Maybridge4_002576 Clc1ccccc1C(=O)NC(=O)Nc2ccc3C=CS(=O)(=O)c3c2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 F03 compound treatment 0.901 0.0613 0.64 0.832 0.0519 0.55 0.8411 0.9977 1320469 Maybridge4_002577 O=C(Cc1ccc(CC(=O)c2ccccc2)cc1)c3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 F04 compound treatment 0.971 0.131 1.36 0.932 0.152 1.62 2.1092 0.9962 1267104 Maybridge4_002578 Cc1c(CC(=O)Nc2ccc(Cl)cc2)sc3ccc(Cl)cc13 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 F05 compound treatment 1.19 0.35 3.63 1.145 0.365 3.9 5.3221 0.9994 3064429 Maybridge4_002579 CCCn1c(=O)ccn(c2ccccc2C)c1=O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 F06 compound treatment 0.144 -0.696 -7.2 0.146 -0.634 -6.77 -9.885 -0.9995 1449737 Maybridge4_002580 O=C(CSC1=NCCc2ccccc12)c3ccc(cc3)c4ccccc4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 F07 compound treatment 0.838 -0.00166 -0.02 0.796 0.0159 0.17 0.1078 0.6324 3064430 Maybridge4_002581 O=C(CNC(=O)OCc1ccccc1)ON2C(=O)CCC2=O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 F08 compound treatment 0.049 -0.791 -8.19 0.049 -0.731 -7.81 -11.3135 -0.9997 1291828 Maybridge4_002582 Cc1c(sc2ccc(Cl)cc12)c3cc(NC(=O)c4ccccc4)[nH]n3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 F09 compound treatment 1.406 0.566 5.87 1.439 0.659 7.04 9.1249 0.9959 3064431 Maybridge4_002583 CC(=O)OC1CCN(CC1)c2cc(nc3cc(Cl)cc(Cl)c23)C(F)(F)F 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 F10 compound treatment 0.797 -0.0427 -0.44 0.834 0.0539 0.58 0.0946 0.1304 3178957 Maybridge4_002584 CNC(=S)c1sc2ccccc2c1C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 F11 compound treatment 0.843 0.00334 0.03 0.75 -0.0301 -0.32 -0.2031 -0.6274 1269577 Maybridge4_002585 O=C(NCc1ccc(s1)S(=O)(=O)NCc2ccccc2)c3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 F12 compound treatment 0.839 -6.56E-4 -0.01 0.844 0.0639 0.68 0.4777 0.7 3064432 Maybridge4_002586 FC(F)(F)COc1ccc(c(OCC(F)(F)F)c1C#N)S(=O)(=O)N2CCCC2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 F13 compound treatment 0.88 0.0403 0.42 0.842 0.0619 0.66 0.7629 0.9755 1508849 Maybridge4_002587 CCC(C)c1ccccc1NC(=O)c2cc3cc(CC)ccc3[nH]2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 F14 compound treatment 1.334 0.494 5.12 1.355 0.575 6.14 7.9631 0.9959 3064434 Maybridge4_002588 FC(F)(F)COc1ccc(SCC=C)c(OCC(F)(F)F)c1C#N 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 F15 compound treatment 0.902 0.0623 0.65 0.84 0.0599 0.64 0.9089 1.0 1212532 Maybridge4_002589 Cc1cccc(NC(=O)NC(=O)c2ccc(s2)C(C)(C)C)n1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 F16 compound treatment 0.857 0.0173 0.18 0.752 -0.0281 -0.3 -0.0854 -0.2441 3064435 Maybridge4_002590 C(N1CCC(=N1)/C=C/c2ccco2)c3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 F17 compound treatment 0.87 0.0303 0.31 0.862 0.0819 0.87 0.8407 0.9046 1289651 Maybridge4_002591 CC(C)N(C(C)C)C(=O)NC(=O)c1ccc(F)cc1F 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 F18 compound treatment 0.894 0.0543 0.56 0.848 0.0679 0.73 0.9107 0.9922 3064458 Maybridge4_002592 NN/C(=N\S(=O)(=O)c1ccccc1)/Nc2cccc(Cl)c2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 F19 compound treatment 0.959 0.119 1.24 0.957 0.177 1.89 2.2102 0.9788 3064459 Maybridge4_002593 FC(F)(F)c1cccc(c1)n2c(n[nH]c2=S)c3ccncc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 F20 compound treatment 1.052 0.212 2.2 1.027 0.247 2.64 3.4201 0.9959 3064460 Maybridge4_002594 NNC(=S)c1cc(Cl)cc(Cl)c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 F21 compound treatment 0.717 -0.123 -1.27 0.733 -0.0471 -0.5 -1.2543 -0.9179 3064461 Maybridge4_002595 NC(=O)c1ccc(CC(=O)c2ccc(Cl)cc2)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 F22 compound treatment 0.812 -0.0277 -0.29 0.772 -0.00812 -0.09 -0.2639 -0.8818 3064462 Maybridge4_002596 C1CN=C(S1)N2CCCCC2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 F23 mock treatment 0.862 0.0223 0.23 0.808 0.0279 0.3 0.3742 0.9922 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 F24 mock treatment 0.819 -0.0207 -0.21 0.75 -0.0301 -0.32 -0.3788 -0.9803 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 G01 compound treatment 0.967 0.127 1.32 0.908 0.128 1.37 1.8986 0.9998 3064463 Maybridge4_002597 Cn1c(SCC(=O)c2ccccc2)nnc1C3COc4ccccc4O3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 G02 compound treatment 1.042 0.202 2.1 0.963 0.183 1.95 2.8633 0.9994 3064464 Maybridge4_002598 COc1cc(nc2ccc(C)c(NC(=O)c3ccc(Cl)cc3)c12)C(F)(F)F 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 G03 compound treatment 1.094 0.254 2.63 1.041 0.261 2.79 3.8334 0.9996 1291018 Maybridge4_002599 Cc1ccc(NC(=S)NCC2COc3ccccc3O2)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 G04 compound treatment 0.974 0.134 1.39 0.933 0.153 1.63 2.1387 0.9968 3064465 Maybridge4_002600 Cc1c(noc1C(=O)CN=S(=O)(C)c2ccc(cn2)C(F)(F)F)c3c(Cl)cccc3Cl 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 G05 compound treatment 0.833 -0.00666 -0.07 0.759 -0.0211 -0.23 -0.2083 -0.8828 3178958 Maybridge4_002601 COc1cccn(Cc2nnc(S)n2C)c1=O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 G06 compound treatment 0.984 0.144 1.49 0.915 0.135 1.44 2.076 0.9998 1395477 Maybridge4_002602 Clc1ccccc1C(=O)N2CCC(CC2)n3cccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 G07 compound treatment 0.83 -0.00966 -0.1 0.776 -0.00412 -0.04 -0.1019 -0.9322 3064466 Maybridge4_002603 Clc1ccc(cc1)C(=O)CSc2nc3CSCc3c(=O)[nH]2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 G08 compound treatment 0.794 -0.0457 -0.47 0.746 -0.0341 -0.36 -0.5922 -0.9917 1133834 Maybridge4_002604 O=c1[nH]c(=O)n(nc1C#N)c2ccccc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 G09 compound treatment 0.857 0.0173 0.18 0.827 0.0469 0.5 0.4811 0.9043 3064468 Maybridge4_002605 CCOC(=O)c1nnc2c(Br)c(C)nn2c1C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 G10 compound treatment 0.72 -0.12 -1.24 0.643 -0.137 -1.46 -1.9122 -0.9965 3178959 Maybridge4_002606 CSc1nn(cc1C(=O)Nc2cccc(c2)C(F)(F)F)c3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 G11 compound treatment 1.237 0.397 4.12 1.242 0.462 4.93 6.3991 0.9959 1533729 Maybridge4_002607 CC(C)n1cc(c2noc(n2)c3ccccc3Cl)c(=O)n(Cc4ccccc4)c1=O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 G12 compound treatment 0.811 -0.0287 -0.3 0.776 -0.00412 -0.04 -0.241 -0.8033 1333749 Maybridge4_002608 CSc1nc2c(Cl)cccc2c3n(C)n(Cc4ccc(Cl)cc4)c(=O)c13 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 G13 compound treatment 1.306 0.466 4.83 1.282 0.502 5.36 7.2066 0.9986 1217547 Maybridge4_002609 CC(C)n1cc(c2nc(cs2)C(C)(C)C)c(=O)n(Cc3ccccc3)c1=O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 G14 compound treatment 0.86 0.0203 0.21 0.841 0.0609 0.65 0.6089 0.8906 1707847 Maybridge4_002610 CCCn1c(=O)cc(N)n(c2ccc(Cl)cc2)c1=O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 G15 compound treatment 0.978 0.138 1.43 0.902 0.122 1.3 1.9338 0.9989 1123385 Maybridge4_002611 CCOC(=O)c1cn(Cc2cccc(Cl)c2)c3cc(C)nn3c1=O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 G16 compound treatment 0.842 0.00234 0.02 0.778 -0.00212 -0.02 0.0011 0.0335 3064470 Maybridge4_002612 CCCn1c(=O)cc(N)n(c2ccc(OC(F)(F)F)cc2)c1=O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 G17 compound treatment 0.943 0.103 1.07 1.005 0.225 2.4 2.4556 0.9337 3178960 Maybridge4_002613 CC(C)(C)c1cc2nc(cc(Sc3ccccc3)n2n1)C(F)(F)F 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 G18 compound treatment 0.842 0.00234 0.02 0.796 0.0159 0.17 0.1371 0.8002 3064471 Maybridge4_002614 Cn1c(Cc2nc(no2)c3cnccn3)nnc1SCC(=O)Nc4ccc(Cl)cc4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 G19 compound treatment 0.863 0.0233 0.24 0.788 0.00788 0.08 0.2304 0.9002 1167659 Maybridge4_002615 Cn1c(=O)c(cn(c2ccccc2)c1=O)c3noc(n3)c4ccccc4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 G20 compound treatment 0.969 0.129 1.34 0.875 0.0949 1.01 1.664 0.9905 1420377 Maybridge4_002616 Clc1ccc(NC(=O)CCN(Cc2ccco2)S(=O)(=O)c3ccc(Cl)cc3)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 G21 compound treatment 0.829 -0.0107 -0.11 0.82 0.0399 0.43 0.2232 0.5072 3064472 Maybridge4_002617 FC(F)(F)Oc1ccc(NC(=O)N2CCN(CC2)C(c3ccccc3)c4ccccc4)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 G22 compound treatment 0.928 0.0883 0.91 0.884 0.104 1.11 1.4317 0.9954 1413855 Maybridge4_002618 O=C(N1CCN(CC1)C(c2ccccc2)c3ccccc3)c4ccc5nonc5c4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 G23 mock treatment 0.809 -0.0307 -0.32 0.756 -0.0241 -0.26 -0.4068 -0.9946 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 G24 mock treatment 0.819 -0.0207 -0.21 0.79 0.00988 0.11 -0.0767 -0.3215 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 H01 compound treatment 0.742 -0.0977 -1.01 0.723 -0.0571 -0.61 -1.1467 -0.9707 3064474 Maybridge4_002619 Cc1ccccc1NC(=O)NC(=O)CC#N 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 H02 compound treatment 0.461 -0.379 -3.92 0.4 -0.38 -4.06 -5.6447 -0.9998 1680806 Maybridge4_002620 OC(=O)Cc1csc2ccc(Cl)cc12 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 H03 compound treatment 0.919 0.0793 0.82 0.889 0.109 1.16 1.4035 0.9855 3064475 Maybridge4_002621 COc1ccccc1CCn2cc(C#N)c(=O)[nH]c2=O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 H04 compound treatment 0.835 -0.00466 -0.05 0.85 0.0699 0.75 0.4938 0.6601 3179054 Maybridge4_002622 Cc1cccc(NC(=S)N2CCOC2c3ccsc3)c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 H05 compound treatment 0.867 0.0273 0.28 0.765 -0.0151 -0.16 0.086 0.2637 1623471 Maybridge4_002623 CCCn1c(=O)c(C#N)cn(C2CC2)c1=O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 H06 compound treatment 1.015 0.175 1.82 0.907 0.127 1.36 2.2426 0.9896 3179055 Maybridge4_002624 Cc1c(sc2ccc(Cl)cc12)c3ccnn3S(=O)(=O)C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 H07 compound treatment 0.855 0.0153 0.16 0.817 0.0369 0.39 0.3909 0.9203 3179056 Maybridge4_002625 COc1ccc(Cn2c(=O)n(c3cc(ccc3C)S(=O)C)c4nc[nH]c4c2=O)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 H08 compound treatment 0.825 -0.0147 -0.15 0.691 -0.0891 -0.95 -0.7806 -0.8096 3064477 Maybridge4_002626 CC(C)c1ccc(/N=C/c2sc3ccccc3c2C)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 H09 compound treatment 1.075 0.235 2.44 0.904 0.124 1.32 2.6593 0.9588 3179057 Maybridge4_002627 CCOC(=O)c1ccc2nc(cc(N3CCN(CC3)c4ccccc4)c2c1)C(F)(F)F 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 H10 compound treatment 1.128 0.288 2.99 1.119 0.339 3.62 4.6716 0.9954 3064478 Maybridge4_002628 Cc1c(/C=N/O)sc2ccccc12 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 H11 compound treatment 1.031 0.191 1.98 0.976 0.196 2.09 2.881 0.9996 3064510 Maybridge4_002629 COc1ccc(cc1)c2ccnc(SCc3ccc(Cl)cc3Cl)n2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 H12 compound treatment 0.795 -0.0447 -0.46 0.715 -0.0651 -0.7 -0.819 -0.9803 1135828 Maybridge4_002630 OC(=O)CC(NC(=O)Nc1ccccc1)c2ccsc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 H13 compound treatment 0.235 -0.605 -6.26 0.24 -0.54 -5.77 -8.5084 -0.9992 1625372 Maybridge4_002631 Clc1ccc2c(ccnc2c1)N3CCN(CC3)C(=O)C4CCC4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 H14 compound treatment 0.943 0.103 1.07 0.92 0.14 1.49 1.8135 0.9866 3064512 Maybridge4_002632 COc1ccc(NS(=O)(=O)c2ccc(OCC(F)(F)F)c(C#N)c2OCC(F)(F)F)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 H15 compound treatment 1.23 0.39 4.04 1.256 0.476 5.08 6.4536 0.9936 3064513 Maybridge4_002633 CCOC(=O)c1sc(Nc2ccccc2C(F)(F)F)c(C(=O)OCC)c1N 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 H16 compound treatment 0.905 0.0653 0.68 0.873 0.0929 0.99 1.1801 0.9826 3064514 Maybridge4_002634 Clc1cccc(N/C(=N\S(=O)(=O)c2ccccc2)/NCCc3ccccn3)c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 H17 compound treatment 0.76 -0.0797 -0.83 0.7 -0.0801 -0.86 -1.1886 -0.9998 3064515 Maybridge4_002635 CCOC(=O)NC(=S)Nc1cccc(C)n1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 H18 compound treatment 0.782 -0.0577 -0.6 0.757 -0.0231 -0.25 -0.5969 -0.9237 3179058 Maybridge4_002636 CCOC(=O)NC(=S)N1CCCC1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 H19 compound treatment 0.821 -0.0187 -0.19 0.738 -0.0421 -0.45 -0.4549 -0.9287 3179059 Maybridge4_002637 COc1ccc(CSC2=NCN(CN2)C3CC(C)CC(C)(C)C3)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 H20 compound treatment 0.823 -0.0167 -0.17 0.821 0.0409 0.44 0.1868 0.3978 1226235 Maybridge4_002638 S=C(NCc1ccccc1)NCc2ccccn2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 H21 compound treatment 1.067 0.227 2.35 1.051 0.271 2.89 3.7112 0.9948 3179060 Maybridge4_002639 O=C(Cc1ccc(Oc2ccccc2)cc1)c3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 H22 compound treatment 1.35 0.51 5.29 1.39 0.61 6.52 8.3447 0.9946 3064516 Maybridge4_002640 CCOC(=S)Nc1cccc2ccccc12 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 H23 mock treatment 0.832 -0.00766 -0.08 0.784 0.00388 0.04 -0.0268 -0.2996 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 H24 mock treatment 0.811 -0.0287 -0.3 0.721 -0.0591 -0.63 -0.6565 -0.9407 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 I01 compound treatment 1.135 0.295 3.06 1.063 0.283 3.02 4.2999 1.0 1349293 Maybridge4_002641 COC(=O)c1ccc-2c(c1)N(C)S(=O)(=O)c3cnc(SC)nc23 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 I02 compound treatment 0.855 0.0153 0.16 0.824 0.0439 0.47 0.4438 0.8967 3064517 Maybridge4_002642 NNC(=O)c1cncc(C#Cc2ccccc2)c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 I03 compound treatment 1.118 0.278 2.88 1.201 0.421 4.5 5.2178 0.9769 1297264 Maybridge4_002643 Clc1ccc(cc1)C(=O)NC(=S)NCC2COc3ccccc3O2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 I04 compound treatment 0.859 0.0193 0.2 0.763 -0.0171 -0.18 0.0123 0.0453 1443440 Maybridge4_002644 COC(=O)c1csc(c1OC)S(=O)(=O)N=S(=O)(C)c2cccs2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 I05 compound treatment 0.799 -0.0407 -0.42 0.681 -0.0991 -1.06 -1.0466 -0.9183 3179061 Maybridge4_002645 COc1ccc2nc([nH]c2c1)S(=O)Cc3ncc(C)c(OC)c3C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 I06 compound treatment 0.366 -0.474 -4.91 0.348 -0.432 -4.62 -6.7332 -0.9995 1207614 Maybridge4_002646 Clc1ccc(cc1)S(=O)(=O)N2CCC(CC2)n3cccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 I07 compound treatment 0.917 0.0773 0.8 0.846 0.0659 0.7 1.0641 0.9979 1176328 Maybridge4_002647 Cn1c(Cc2nn(C)c(=O)c3ccccc23)nnc1SCC(=O)c4ccc(Cl)cc4Cl 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 I08 compound treatment 0.953 0.113 1.17 0.94 0.16 1.71 2.0378 0.9833 1698489 Maybridge4_002648 Clc1ccc(Cn2c(=O)c(C#N)nn(c3ccccc3)c2=O)c(Cl)c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 I09 compound treatment 0.794 -0.0457 -0.47 0.671 -0.109 -1.17 -1.1587 -0.921 1223405 Maybridge4_002649 CCOC(=O)NC(=O)c1cn(CCc2ccncc2)c(=O)[nH]c1=O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 I10 compound treatment 1.201 0.361 3.74 1.203 0.423 4.52 5.8408 0.9956 1257420 Maybridge4_002650 CSc1nn(cc1C(=O)N2CCCCC2)c3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 I11 compound treatment 1.11 0.27 2.8 1.056 0.276 2.95 4.0639 0.9997 3064519 Maybridge4_002651 CC(C)n1cc(/C(=N/O)/N)c(=O)n(Cc2ccccc2)c1=O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 I12 compound treatment 0.837 -0.00266 -0.03 0.731 -0.0491 -0.52 -0.3906 -0.7432 1544891 Maybridge4_002652 OC(=O)C1CNC(=O)N1C(=O)OCc2ccccc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 I13 compound treatment 1.173 0.333 3.45 1.17 0.39 4.17 5.3865 0.9957 1689579 Maybridge4_002653 CCOC(=O)c1csc(n1)c2cn(C(C)C)c(=O)n(Cc3ccccc3)c2=O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 I14 compound treatment 0.915 0.0753 0.78 0.898 0.118 1.26 1.4422 0.9735 3064520 Maybridge4_002654 Cn1c(CSCC(=O)Nc2ccccc2)nnc1SCc3ccc(Cl)cc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 I15 compound treatment 0.903 0.0633 0.66 0.525 -0.255 -2.73 -1.4634 -0.522 3179062 Maybridge4_002655 Cc1[nH]c2ccccc2c1SCc3nnc(SCc4ccc(Cl)cc4)n3C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 I16 compound treatment 0.968 0.128 1.33 0.913 0.133 1.42 1.9437 0.9995 3064521 Maybridge4_002656 Cn1c(CSCC(=O)Nc2ccccc2)nnc1SCC(=O)c3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 I17 compound treatment 1.235 0.395 4.09 1.248 0.468 5.0 6.4297 0.9951 3179063 Maybridge4_002657 COc1ccc(Oc2cc(nc3cc(nn23)C(C)(C)C)C(F)(F)F)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 I18 compound treatment 1.099 0.259 2.69 1.014 0.234 2.5 3.6661 0.9993 3179064 Maybridge4_002658 CSc1cccc(NC(=O)N(Cc2ccccc2)C(=O)CC#N)c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 I19 compound treatment 0.822 -0.0177 -0.18 0.767 -0.0131 -0.14 -0.2285 -0.9914 1399847 Maybridge4_002659 O=S1(=O)CC(N2CCCC2)c3ccccc31 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 I20 compound treatment 0.999 0.159 1.65 1.018 0.238 2.54 2.9639 0.9781 3179065 Maybridge4_002660 FC(F)(F)c1cc(N2CCC(CC2)n3cccc3)c4ccccc4n1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 I21 compound treatment 0.948 0.108 1.12 0.883 0.103 1.1 1.5706 0.9999 3064522 Maybridge4_002661 O=C(OCc1ccc(C#Cc2ccccc2)s1)c3cccs3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 I22 compound treatment 1.072 0.232 2.41 1.108 0.328 3.5 4.1784 0.9832 1065782 Maybridge4_002662 O=C(NCc1ccccc1)Nc2ccccc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 I23 mock treatment 0.796 -0.0437 -0.45 0.732 -0.0481 -0.51 -0.6833 -0.9979 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 I24 mock treatment 0.851 0.0113 0.12 0.819 0.0389 0.42 0.3767 0.8729 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 J01 compound treatment 1.025 0.185 1.92 0.935 0.155 1.65 2.5273 0.9973 3064524 Maybridge4_002663 Cn1c(SCc2cc(F)cc(F)c2)nnc1c3ccc4nonc4c3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 J02 compound treatment 0.944 0.104 1.08 0.854 0.0739 0.79 1.3222 0.9881 3179066 Maybridge4_002664 Clc1ccc2scc(CC(=O)OCc3ccccc3)c2c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 J03 compound treatment 1.425 0.585 6.06 1.41 0.63 6.73 9.045 0.9986 3064525 Maybridge4_002665 FC(F)(F)c1cc(N2CCCCC2)c3cccc(Cl)c3n1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 J04 compound treatment 1.191 0.351 3.64 1.143 0.363 3.88 5.3143 0.9995 3179067 Maybridge4_002666 NC(=S)Cc1c(Cl)sc2ccc(Cl)cc12 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 J05 compound treatment 0.908 0.0683 0.71 0.838 0.0579 0.62 0.9377 0.9977 1230774 Maybridge4_002667 O=c1c(C#N)cn(C2CC2)c(=O)n1Cc3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 J06 compound treatment 1.112 0.272 2.82 0.98 0.2 2.14 3.5044 0.9906 3064526 Maybridge4_002668 Cc1c(sc2ccc(Cl)cc12)c3ccnc(SCC=C)n3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 J07 compound treatment 1.055 0.215 2.23 1.063 0.283 3.02 3.714 0.9888 1249532 Maybridge4_002669 Cc1cc(NC(=O)c2ccc3nonc3c2)on1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 J08 compound treatment 1.214 0.374 3.88 1.159 0.379 4.05 5.6036 0.9998 1640712 Maybridge4_002670 CN1C(=O)CC(Sc2ccccc12)c3ccsc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 J09 compound treatment 1.046 0.206 2.14 0.975 0.195 2.08 2.9833 0.9999 3064554 Maybridge4_002671 Cc1ccc2c(cc(nc2c1)C(F)(F)F)N3CC4CCC(CC4)C3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 J10 compound treatment 0.89 0.0503 0.52 0.887 0.107 1.14 1.1761 0.9369 3064555 Maybridge4_002672 Fc1ccc(NC2=NNC(=O)C2)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 J11 compound treatment 1.013 0.173 1.8 0.946 0.166 1.77 2.5225 1.0 3064556 Maybridge4_002673 COc1ccc(cc1)c2ccnc(SCC(=O)N3CCOCC3)n2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 J12 compound treatment 0.903 0.0633 0.66 0.865 0.0849 0.91 1.1051 0.9874 1655959 Maybridge4_002674 CCCS(=O)(=O)c1ccc(NC(=O)Nc2ccc(Cl)cc2Cl)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 J13 compound treatment 0.26 -0.58 -6.0 0.187 -0.593 -6.34 -8.7257 -0.9996 1535225 Maybridge4_002675 CC(C)N(C(C)C)C(=O)N1CCN(CC1)c2ccnc3cc(Cl)ccc23 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 J14 compound treatment 1.296 0.456 4.73 1.298 0.518 5.53 7.2542 0.9969 3064558 Maybridge4_002676 FC(F)(F)COc1ccc(Br)c(OCC(F)(F)F)c1C#N 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 J15 compound treatment 0.053 -0.787 -8.15 0.046 -0.734 -7.84 -11.3068 -0.9998 3064559 Maybridge4_002677 COC(=O)c1ccccc1SC(=O)c2ccc(Cl)c(Cl)c2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 J16 compound treatment 0.963 0.123 1.28 1.095 0.315 3.36 3.2819 0.9121 1497304 Maybridge4_002678 Clc1ccc(NC(=S)NS(=O)(=O)c2ccccc2)cc1Cl 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 J17 compound treatment 0.939 0.0993 1.03 0.844 0.0639 0.68 1.2101 0.9801 1102994 Maybridge4_002679 CCOC(=O)NC(=S)c1cccn1C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 J18 compound treatment 1.038 0.198 2.05 0.953 0.173 1.85 2.7585 0.9986 1203607 Maybridge4_002680 COc1ccc(OC)c(c1)S(=O)(=O)N2CCCC2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 J19 compound treatment 0.818 -0.0217 -0.22 0.764 -0.0161 -0.17 -0.2804 -0.9915 3064560 Maybridge4_002681 S=C1NCN(Cc2ccncc2)CN1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 J20 compound treatment 0.676 -0.164 -1.69 0.61 -0.17 -1.82 -2.4837 -0.9994 3179068 Maybridge4_002682 Cc1cc(Br)c(NC(=S)NC(=O)C(C)(C)C)c(Br)c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 J21 compound treatment 0.856 0.0163 0.17 0.765 -0.0151 -0.16 0.0054 0.0232 3064561 Maybridge4_002683 COC(=O)c1ccc2[nH]cnc2c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 J22 compound treatment 0.833 -0.00666 -0.07 0.798 0.0179 0.19 0.0863 0.425 3179069 Maybridge4_002684 O=c1[nH]nc([nH]1)N2CCSCC2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 J23 mock treatment 0.848 0.00834 0.09 0.768 -0.0121 -0.13 -0.0305 -0.1958 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 J24 mock treatment 0.864 0.0243 0.25 0.776 -0.00412 -0.04 0.1471 0.5748 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 K01 compound treatment 0.734 -0.106 -1.09 0.631 -0.149 -1.59 -1.9003 -0.9832 3064562 Maybridge4_002685 COC(=O)c1ccc2OCCc2c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 K02 compound treatment 1.342 0.502 5.2 1.322 0.542 5.79 7.7724 0.9986 3179151 Maybridge4_002686 CCOC(=O)c1cncc(C#CCOC(=O)c2c(C)onc2c3ccccc3)c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 K03 compound treatment 1.212 0.372 3.86 1.157 0.377 4.03 5.5739 0.9998 1273322 Maybridge4_002687 CCOC(=O)Cc1nn(Cc2nc(cs2)c3ccccc3)c(=O)c4ccccc14 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 K04 compound treatment 1.318 0.478 4.95 1.302 0.522 5.58 7.4455 0.9983 3179152 Maybridge4_002688 CN(CCOC(=O)c1ccccc1)c2cc(nc3ccccc23)C(F)(F)F 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 K05 compound treatment 0.822 -0.0177 -0.18 0.777 -0.00312 -0.03 -0.1529 -0.8226 3179153 Maybridge4_002689 COc1cccn(Cc2nnc(SCC(=O)c3ccccc3)o2)c1=O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 K06 compound treatment 1.329 0.489 5.07 1.206 0.426 4.55 6.8009 0.9986 1551980 Maybridge4_002690 Clc1cc(Cl)cc(NC(=O)N2CCC(CC2)n3cccc3)c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 K07 compound treatment 1.264 0.424 4.39 1.258 0.478 5.11 6.7177 0.9972 3179154 Maybridge4_002691 CN(C)c1cc(nc2cc(nn12)C(C)(C)C)C(F)(F)F 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 K08 compound treatment 0.915 0.0753 0.78 0.9 0.12 1.28 1.4573 0.9718 3064563 Maybridge4_002692 CCCn1c(=O)c(nn(c2ccccc2)c1=O)/C(=N/O)/N 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 K09 compound treatment 1.203 0.363 3.76 1.164 0.384 4.1 5.5608 0.9991 1707363 Maybridge4_002693 Cc1ncn2cc([nH]c(=O)c12)c3ccc(Cl)cc3Cl 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 K10 compound treatment 1.102 0.262 2.72 1.139 0.359 3.83 4.6323 0.9858 3179155 Maybridge4_002694 COC(=O)c1c(C)[nH]c(C)c1/C=C(\C#N)/S(=O)(=O)c2ccc(Cl)cc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 K11 compound treatment 0.828 -0.0117 -0.12 0.77 -0.0101 -0.11 -0.1619 -0.9985 1478501 Maybridge4_002695 CC(C)n1cc(c2noc(n2)c3cccs3)c(=O)n(Cc4ccccc4)c1=O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 K12 compound treatment 0.917 0.0773 0.8 0.875 0.0949 1.01 1.2831 0.9932 3179156 Maybridge4_002696 O=S(=O)(c1ccccc1)n2ccc(n2)c3ccc(C#Cc4ccccc4)cc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 K13 compound treatment 0.947 0.107 1.11 0.93 0.15 1.6 1.9183 0.9841 1572994 Maybridge4_002697 CC(C)n1cc(c2nc(cs2)C(=O)NN)c(=O)n(Cc3ccccc3)c1=O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 K14 compound treatment 1.001 0.161 1.67 0.939 0.159 1.7 2.3818 1.0 1626520 Maybridge4_002698 O=C(CSc1nc2ccccc2o1)N3CCC(CC3)n4cccc4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 K15 compound treatment 0.901 0.0613 0.64 0.873 0.0929 0.99 1.1509 0.9768 3179157 Maybridge4_002699 COc1cc(nc2ccc(C#CCOC(=O)c3ccccc3)cc12)C(F)(F)F 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 K16 compound treatment 0.843 0.00334 0.03 0.824 0.0439 0.47 0.3559 0.7573 3064565 Maybridge4_002700 CCOC(=O)N1CCC(CC1)N/C=C(\C#N)/S(=O)(=O)c2cccnc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 K17 compound treatment 0.691 -0.149 -1.54 0.662 -0.118 -1.26 -1.981 -0.9951 3179158 Maybridge4_002701 Cc1ccc(cc1)S(=O)(=O)CCN2CCC(CC2)C(F)(F)F 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 K18 compound treatment 1.285 0.445 4.61 1.293 0.513 5.48 7.1359 0.9963 3064567 Maybridge4_002702 CSc1scc(NC(=O)c2ccc(Cl)cc2)c1S(=O)(=O)C(C)C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 K19 compound treatment 1.006 0.166 1.72 1.011 0.231 2.47 2.9623 0.9846 3179159 Maybridge4_002703 O=S(=O)(/C(=C/N1CCN(CC1)C(c2ccccc2)c3ccccc3)/C#N)c4ccccc4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 K20 compound treatment 1.052 0.212 2.2 0.935 0.155 1.65 2.7251 0.9902 3064568 Maybridge4_002704 COC(=O)c1scc2c(cc(nc12)C(F)(F)F)N3CCC(CC3)n4cccc4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 K21 compound treatment 0.901 0.0613 0.64 0.895 0.115 1.23 1.317 0.953 3179160 Maybridge4_002705 CCOC(=O)C1CCN(CC1)/C=C(\C#N)/S(=O)(=O)c2ccccc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 K22 compound treatment 0.953 0.113 1.17 0.925 0.145 1.55 1.9245 0.9907 1717162 Maybridge4_002706 CCCS(=O)(=O)c1cnc(nc1N)C2COc3ccccc3O2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 K23 mock treatment 0.849 0.00934 0.1 0.701 -0.0791 -0.85 -0.5293 -0.6221 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 K24 mock treatment 0.841 0.00134 0.01 0.753 -0.0271 -0.29 -0.1951 -0.6724 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 L01 compound treatment 0.982 0.142 1.47 0.916 0.136 1.45 2.0689 1.0 1068568 Maybridge4_002707 CCOC(=O)c1c(C)oc(=O)c(Br)c1C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 L02 compound treatment 1.242 0.402 4.17 1.214 0.434 4.64 6.2242 0.9986 3064569 Maybridge4_002708 Clc1sc2ccc(Cl)cc2c1CC#N 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 L03 compound treatment 0.715 -0.125 -1.29 0.673 -0.107 -1.14 -1.7222 -0.9982 1726018 Maybridge4_002709 Clc1ccc(cc1)S(=O)(=O)CCN2CCN(CC2)C(c3ccccc3)c4ccccc4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 L04 compound treatment 1.198 0.358 3.71 1.169 0.389 4.15 5.562 0.9984 3064570 Maybridge4_002710 CCOC(=O)c1csc(Cc2c(Cl)sc3ccc(Cl)cc23)n1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 L05 compound treatment 0.737 -0.103 -1.06 0.735 -0.0451 -0.48 -1.0927 -0.936 3179161 Maybridge4_002711 Fc1ccc(NC(=O)NC(=O)CC#N)c(F)c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 L06 compound treatment 0.816 -0.0237 -0.25 0.596 -0.184 -1.97 -1.5642 -0.7891 1493566 Maybridge4_002712 O=C(SC1=NCCc2ccccc12)c3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 L07 compound treatment 1.46 0.62 6.42 1.537 0.757 8.09 10.2607 0.9935 3064593 Maybridge4_002713 OC1(CC(=NN1)c2nccs2)C(F)(F)F 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 L08 compound treatment 0.844 0.00434 0.04 0.805 0.0249 0.27 0.2197 0.8152 3064595 Maybridge4_002714 Cc1c(/C=C/C(=O)Oc2ccc(C#N)cc2)sc3ccccc13 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 L09 compound treatment 1.42 0.58 6.01 1.347 0.567 6.06 8.5325 1.0 3064596 Maybridge4_002715 CCOC(=O)C1CCN(CC1)c2cc(nc3ccc(C)cc23)C(F)(F)F 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 L10 compound treatment 0.834 -0.00566 -0.06 0.795 0.0149 0.16 0.0709 0.4189 3064597 Maybridge4_002716 CC(C)c1ccc(NC2=NNC(=O)C2)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 L11 compound treatment 0.82 -0.0197 -0.2 0.819 0.0389 0.42 0.1497 0.3237 3482130 Maybridge4_002717 CC(C)(C)OC(=O)Nc1ncnc2n(cnc12)C3OC(CO)C4OC(C)(C)OC34 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 L12 compound treatment 0.834 -0.00566 -0.06 0.786 0.00588 0.06 0.003 0.0344 3064598 Maybridge4_002718 Cc1n[nH]c(C)c1Sc2nccc(n2)c3cccnc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 L13 compound treatment 0.779 -0.0607 -0.63 0.681 -0.0991 -1.06 -1.193 -0.9689 1572567 Maybridge4_002719 O=C(NCc1ccc(s1)S(=O)(=O)NCCN2CCOCC2)c3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 L14 compound treatment 0.811 -0.0287 -0.3 0.785 0.00488 0.05 -0.173 -0.5743 3064599 Maybridge4_002720 NC(=O)c1csc(n1)c2cccnc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 L15 compound treatment 0.92 0.0803 0.83 0.874 0.0939 1.0 1.2976 0.9957 3064600 Maybridge4_002721 Clc1ccc(cc1)c2nnc(o2)c3ccc(Cl)cc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 L16 compound treatment 0.763 -0.0767 -0.79 0.754 -0.0261 -0.28 -0.7587 -0.9016 3179162 Maybridge4_002722 CN(C)c1ccc(cc1)C2OCCN2C(=S)Nc3ccccc3F 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 L17 compound treatment 0.093 -0.747 -7.73 0.092 -0.688 -7.35 -10.6664 -0.9997 3064601 Maybridge4_002723 Cc1ccc(cc1)C(=O)CSC2=NCCCCC2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 L18 compound treatment 0.985 0.145 1.51 0.957 0.177 1.89 2.4006 0.9937 3179163 Maybridge4_002724 CC(C)CNC(=S)N1CCCC1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 L19 compound treatment 1.067 0.227 2.35 1.022 0.242 2.58 3.4921 0.9989 1286430 Maybridge4_002725 S=C1NCN(CN1)C(Cc2ccccc2)c3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 L20 compound treatment 0.892 0.0523 0.54 0.827 0.0469 0.5 0.7374 0.9992 3064602 Maybridge4_002726 CCOC(=O)NC(=S)Nc1ccc(cc1)N2CC(C)OC(C)C2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 L21 compound treatment 0.16 -0.68 -7.04 0.153 -0.627 -6.7 -9.7149 -0.9997 3179164 Maybridge4_002727 NNC(=O)C1CCC(CC1)c2ccc(Cl)cc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 L22 compound treatment 0.608 -0.232 -2.4 0.253 -0.527 -5.63 -5.6786 -0.9277 1090059 Maybridge4_002728 CCOC(=O)NC(=S)c1ccc[nH]1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 L23 mock treatment 0.838 -0.00166 -0.02 0.805 0.0249 0.27 0.1758 0.6601 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 L24 mock treatment 0.83 -0.00966 -0.1 0.748 -0.0321 -0.34 -0.3134 -0.8767 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 M01 compound treatment 0.932 0.0923 0.96 0.828 0.0479 0.51 1.0379 0.957 3179165 Maybridge4_002729 O=S(=O)(Cc1ccc2nonc2c1)c3cccs3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 M02 compound treatment 1.079 0.239 2.48 1.013 0.233 2.49 3.512 1.0 3179166 Maybridge4_002730 CCOC(=O)c1cncc(C#CCOC(=O)c2ccc(Cl)cn2)c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 M03 compound treatment 1.073 0.233 2.42 0.933 0.153 1.63 2.8638 0.9818 3064603 Maybridge4_002731 CN1c2sc(C)c(C)c2-c3nc(SCC(=O)C(C)(C)C)ncc3S1(=O)=O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 M04 compound treatment 0.046 -0.794 -8.22 0.046 -0.734 -7.84 -11.3581 -0.9997 3179167 Maybridge4_002732 Clc1cc(Cl)cc(NC(=O)Nc2cc(n[nH]2)c3ccccc3)c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 M05 compound treatment 0.87 0.0303 0.31 0.716 -0.0641 -0.69 -0.2622 -0.3479 1536304 Maybridge4_002733 Clc1ccc(cc1)c2csc(COc3ccc4nonc4c3)n2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 M06 compound treatment 0.818 -0.0217 -0.22 0.792 0.0119 0.13 -0.0689 -0.2674 3179168 Maybridge4_002734 O=S(=O)(/C(=C/N1CCC(CC1)n2cccc2)/C#N)c3ccccn3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 M07 compound treatment 1.213 0.373 3.87 1.197 0.417 4.45 5.8834 0.9975 1203004 Maybridge4_002735 Cn1c(S)nnc1CC2Sc3ccccc3NC2=O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 M08 compound treatment 0.997 0.157 1.63 0.945 0.165 1.76 2.3978 0.9992 1245628 Maybridge4_002736 CCCn1c(=O)c(C#N)nn(c2ccc(OC)cc2)c1=O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 M09 compound treatment 0.998 0.158 1.64 0.986 0.206 2.2 2.7149 0.9896 1544442 Maybridge4_002737 CCOC(=O)NC(=O)c1cn(Cc2ccco2)c(=O)n(Cc3ccccc3)c1=O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 M10 compound treatment 0.375 -0.465 -4.81 0.24 -0.54 -5.77 -7.4831 -0.9959 3064605 Maybridge4_002738 FC(F)(F)Oc1ccc(NC(=O)OC2CN(C2)C(c3ccccc3)c4ccccc4)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 M11 compound treatment 1.321 0.481 4.99 1.375 0.595 6.36 8.019 0.9928 3179169 Maybridge4_002739 Cn1c(CSc2cc(nc3ccccc23)C(F)(F)F)nnc1SCC(=O)c4ccccc4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 M12 compound treatment 1.049 0.209 2.17 1.002 0.222 2.37 3.2092 0.999 3179170 Maybridge4_002740 Cc1ccc2nc(cc(N3CCN(CC3)/C=C(/C#N)\S(=O)(=O)c4ccccn4)c2c1)C(F)(F)F 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 M13 compound treatment 0.901 0.0613 0.64 0.84 0.0599 0.64 0.9016 1.0 3064606 Maybridge4_002741 COC(=O)c1scc2c(Sc3ccc(Cl)cc3)cc(nc12)C(F)(F)F 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 M14 compound treatment 0.967 0.127 1.32 0.918 0.138 1.47 1.9741 0.9985 1624356 Maybridge4_002742 Cn1c(S)nnc1CSC2CN(C2)C(c3ccccc3)c4ccccc4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 M15 compound treatment 0.478 -0.362 -3.75 0.322 -0.458 -4.89 -6.1094 -0.9913 1609003 Maybridge4_002743 Clc1ccc(Cn2ccnc2COC(=O)c3ccccc3Cl)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 M16 compound treatment 0.883 0.0433 0.45 0.833 0.0529 0.56 0.7169 0.9935 3179171 Maybridge4_002744 CCOC(=O)N1CCC(CC1)N/C=C(\C#N)/S(=O)(=O)C(C)C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 M17 compound treatment 1.11 0.27 2.8 1.119 0.339 3.62 4.5398 0.9919 3064607 Maybridge4_002745 Clc1ccc(SC2CS(=O)(=O)c3ccccc23)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 M18 compound treatment 0.973 0.133 1.38 0.922 0.142 1.52 2.0483 0.9989 3179261 Maybridge4_002746 COc1ccc(cc1OC)S(=O)(=O)N(CCC(=O)O)Cc2ccco2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 M19 compound treatment 0.927 0.0873 0.9 0.875 0.0949 1.01 1.3564 0.9984 3064609 Maybridge4_002747 CC(C)(C)S(=O)(=O)/C(=C/N1CCN(CC1)C(c2ccccc2)c3ccccc3)/C#N 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 M20 compound treatment 0.86 0.0203 0.21 0.813 0.0329 0.35 0.3973 0.9701 1049769 Maybridge4_002748 CC(C)NC(=O)c1ccccc1N 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 M21 compound treatment 0.867 0.0273 0.28 0.82 0.0399 0.43 0.5015 0.9803 3063912 Maybridge4_002749 CCOC(=O)C1CCN(CC1)/C=C(\C#N)/S(=O)(=O)C(C)(C)C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 M22 compound treatment 1.032 0.192 1.99 0.989 0.209 2.23 2.9865 0.9984 1471006 Maybridge4_002750 Nc1cc(=O)n(Cc2ccccc2)c(=O)n1c3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 M23 mock treatment 0.862 0.0223 0.23 0.771 -0.00912 -0.1 0.0947 0.3771 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 M24 mock treatment 0.833 -0.00666 -0.07 0.761 -0.0191 -0.2 -0.1932 -0.8961 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 N01 compound treatment 0.773 -0.0667 -0.69 0.745 -0.0351 -0.38 -0.7535 -0.959 3063913 Maybridge4_002751 Cn1c(SCC(=O)NCC=C)nnc1c2ccc3nonc3c2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 N02 compound treatment 0.387 -0.453 -4.69 0.411 -0.369 -3.94 -6.1035 -0.9963 3063914 Maybridge4_002752 Cc1c(sc2ccc(Cl)cc12)S(=O)(=O)Nc3ccc(Cl)cc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 N03 compound treatment 0.979 0.139 1.44 0.951 0.171 1.83 2.3113 0.9932 1156673 Maybridge4_002753 O=S(=O)(N1CCC(CC1)C(c2ccccc2)c3ccccc3)c4cccs4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 N04 compound treatment 0.998 0.158 1.64 1.033 0.253 2.7 3.0699 0.9714 3063915 Maybridge4_002754 CNC(=O)c1csc(Cc2c(Cl)sc3ccc(Cl)cc23)n1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 N05 compound treatment 0.889 0.0493 0.51 0.828 0.0479 0.51 0.723 1.0 1656700 Maybridge4_002755 COc1ccc(cc1)n2c(N)cc(=O)[nH]c2=O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 N06 compound treatment 1.114 0.274 2.84 1.038 0.258 2.75 3.9572 0.9999 3063916 Maybridge4_002756 CN(c1ccccc1)S(=O)(=O)c2sc3ccc(Cl)cc3c2C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 N07 compound treatment 0.387 -0.453 -4.69 0.368 -0.412 -4.4 -6.4283 -0.9995 3179262 Maybridge4_002757 CCOC(=O)N1CCN(CC1)c2cc(nc3c(Cl)cccc23)C(F)(F)F 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 N08 compound treatment 1.078 0.238 2.47 1.088 0.308 3.29 4.0713 0.99 3179263 Maybridge4_002758 COc1ccc(OC(=O)/C=C/c2sc3ccccc3c2C)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 N09 compound treatment 0.892 0.0523 0.54 0.863 0.0829 0.89 1.0094 0.9723 3063917 Maybridge4_002759 CCOC(=O)c1ccc2nc(cc(NC3CCN(Cc4ccccc4)CC3)c2c1)C(F)(F)F 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 N10 compound treatment 1.183 0.343 3.56 1.081 0.301 3.21 4.7874 0.9987 3179264 Maybridge4_002760 CNC(=S)NCc1sc2ccccc2c1C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 N11 compound treatment 0.771 -0.0687 -0.71 0.67 -0.11 -1.18 -1.3347 -0.9709 1569047 Maybridge4_002761 CCc1ccc2[nH]c(cc2c1)C(=O)NCc3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 N12 compound treatment 1.255 0.415 4.3 1.402 0.622 6.64 7.7396 0.9779 3063918 Maybridge4_002762 Cc1nc2cc(nn2c(C)c1Sc3nccc(n3)c4cccnc4)c5ccccc5 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 N13 compound treatment 0.62 -0.22 -2.27 0.582 -0.198 -2.12 -3.1053 -0.9994 1306797 Maybridge4_002763 COc1cc2CCN=C(c3ccc(Cl)cc3)c2cc1OC 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 N14 compound treatment 0.757 -0.0827 -0.86 0.659 -0.121 -1.29 -1.5203 -0.9799 3063920 Maybridge4_002764 C(N1CCC(=N1)c2cccs2)c3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 N15 compound treatment 0.716 -0.124 -1.28 0.739 -0.0411 -0.44 -1.2163 -0.8983 3179265 Maybridge4_002765 CC(C)(C)Sc1nc2ccccc2[nH]c1=S 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 N16 compound treatment 0.744 -0.0957 -0.99 0.598 -0.182 -1.95 -2.0764 -0.951 1707053 Maybridge4_002766 CCOC(=O)NC(=S)c1ccc(OC)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 N17 compound treatment 0.11 -0.73 -7.56 0.099 -0.681 -7.28 -10.489 -0.9998 3179266 Maybridge4_002767 Clc1cccc(c1)C(=O)Nc2nccs2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 N18 compound treatment 0.818 -0.0217 -0.22 0.719 -0.0611 -0.65 -0.6204 -0.8985 1022738 Maybridge4_002768 NS(=O)(=O)c1ccc(Cl)c(Cl)c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 N19 compound treatment 0.94 0.1 1.04 0.933 0.153 1.63 1.8897 0.9762 3179267 Maybridge4_002769 Cc1nnsc1c2nnc(S)n2C3CC3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 N20 compound treatment 1.201 0.361 3.74 1.069 0.289 3.09 4.8285 0.9954 1602154 Maybridge4_002770 CC1CN(CC(C)O1)c2ccc(NC(=S)Nc3ccc(cc3)N4CC(C)OC(C)C4)cc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 N21 compound treatment 0.561 -0.279 -2.89 0.562 -0.218 -2.33 -3.6885 -0.9944 1095185 Maybridge4_002771 Nc1c(sc2ncccc12)C(=O)O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 N22 compound treatment 0.855 0.0153 0.16 0.825 0.0449 0.48 0.4514 0.8937 3063921 Maybridge4_002772 OCCNC(=S)NC1CCCC1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 N23 mock treatment 0.812 -0.0277 -0.29 0.82 0.0399 0.43 0.0987 0.1922 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 N24 mock treatment 0.841 0.00134 0.01 0.751 -0.0291 -0.31 -0.2102 -0.6748 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 O01 compound treatment 0.791 -0.0487 -0.5 0.733 -0.0471 -0.5 -0.7123 -1.0 1227681 Maybridge4_002773 CSc1ncc(C(=O)NN)n1C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 O02 compound treatment 0.956 0.116 1.2 0.898 0.118 1.26 1.7425 0.9998 3179268 Maybridge4_002774 Cn1c(CN2C(=O)CSc3ccc(cc23)C(F)(F)F)nnc1SCc4ccccc4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 O03 compound treatment 0.974 0.134 1.39 0.937 0.157 1.68 2.1689 0.9957 1733846 Maybridge4_002775 CNC(=O)c1cc(Br)cc2CCOc21 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 O04 compound treatment 0.418 -0.422 -4.37 0.36 -0.42 -4.49 -6.2617 -0.9999 3179269 Maybridge4_002776 FC(F)(F)Oc1ccc(NC(=O)Nc2cc(n[nH]2)c3ccccc3)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 O05 compound treatment 0.574 -0.266 -2.75 0.538 -0.242 -2.59 -3.7746 -0.9995 3063922 Maybridge4_002777 CCOC(=O)c1sc(COc2ccc3nonc3c2)nc1C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 O06 compound treatment 0.858 0.0183 0.19 0.772 -0.00812 -0.09 0.073 0.3493 3179270 Maybridge4_002778 CC(C)(C)S(=O)(=O)/C(=C/N1CCC(CC1)n2cccc2)/C#N 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 O07 compound treatment 0.076 -0.764 -7.91 0.094 -0.686 -7.33 -10.7758 -0.9993 3063923 Maybridge4_002779 CCSc1cc(nc2cc(nn12)C(C)(C)C)C(F)(F)F 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 O08 compound treatment 1.041 0.201 2.09 0.984 0.204 2.18 3.0147 0.9998 3063924 Maybridge4_002780 CSc1nn(cc1C(=O)Nc2ccc(Cl)cc2)c3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 O09 compound treatment 0.819 -0.0207 -0.21 0.786 0.00588 0.06 -0.1069 -0.4795 1030103 Maybridge4_002781 O=c1[nH]c(=O)n(cc1C#N)C2CCCCC2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 O10 compound treatment 0.808 -0.0317 -0.33 0.798 0.0179 0.19 -0.0968 -0.2551 1309716 Maybridge4_002782 CSc1nc2c(Cl)cccc2c3n(C)[nH]c(=O)c13 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 O11 compound treatment 0.837 -0.00266 -0.03 0.755 -0.0251 -0.27 -0.2093 -0.7755 1606150 Maybridge4_002783 Cc1[nH]c2ccccc2c1SCC(=O)NN 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 O12 compound treatment 0.858 0.0183 0.19 0.873 0.0929 0.99 0.8359 0.8275 1579140 Maybridge4_002784 CCOC(=O)Cn1n(C)c2c(cnc3n(C)nc(C)c32)c1=O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 O13 compound treatment 0.813 -0.0267 -0.28 0.691 -0.0891 -0.95 -0.8685 -0.8761 1697318 Maybridge4_002785 CCOC(=O)Cn1c(=O)c(cn(C(C)C)c1=O)C(=S)N 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 O14 compound treatment 0.067 -0.773 -8.0 0.061 -0.719 -7.68 -11.091 -0.9998 1214988 Maybridge4_002786 Clc1ccc(OC(=O)c2c(nnc3ccccc23)c4ccccc4)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 O15 compound treatment 1.136 0.296 3.07 1.105 0.325 3.47 4.6245 0.9981 3063958 Maybridge4_002787 COc1cc(nc2ccc(C#CCOC(=O)Nc3ccccc3)cc12)C(F)(F)F 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 O16 compound treatment 1.11 0.27 2.8 1.069 0.289 3.09 4.1621 0.9988 3063959 Maybridge4_002788 Clc1ccc(SCc2n[nH]c(=O)c3ccccc23)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 O17 compound treatment 0.856 0.0163 0.17 0.795 0.0149 0.16 0.2321 0.9995 1427896 Maybridge4_002789 Cc1ccc(cc1)S(=O)(=O)C2CS(=O)(=O)c3ccccc23 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 O18 compound treatment 1.022 0.182 1.89 0.955 0.175 1.87 2.6564 1.0 3063960 Maybridge4_002790 COc1ccc(cc1OC)S(=O)(=O)N(CCC#N)C2CCCc3ccccc23 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 O19 compound treatment 0.774 -0.0657 -0.68 0.647 -0.133 -1.42 -1.4865 -0.943 1698976 Maybridge4_002791 Cn1c(=O)c(cn(c2ccccc2)c1=O)c3nc(cs3)c4ccccc4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 O20 compound treatment 0.831 -0.00866 -0.09 0.746 -0.0341 -0.36 -0.3212 -0.8555 3179271 Maybridge4_002792 CCOC(=O)C1CCC(N1C(=O)Nc2ccc(Cl)cc2)C(=O)OCC 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 O21 compound treatment 0.872 0.0323 0.33 0.791 0.0109 0.12 0.319 0.8998 3063961 Maybridge4_002793 FC(F)(F)c1cccc(NC(=O)CN2C(=O)CSc3ccc(cc23)C(F)(F)F)c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 O22 compound treatment 0.856 0.0163 0.17 0.795 0.0149 0.16 0.2321 0.9995 1142886 Maybridge4_002794 Nc1nc(ncc1S(=O)(=O)c2ccccc2)C3COc4ccccc4O3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 O23 mock treatment 0.787 -0.0527 -0.55 0.81 0.0299 0.32 -0.1599 -0.2531 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 O24 mock treatment 0.87 0.0303 0.31 0.701 -0.0791 -0.85 -0.3755 -0.4164 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 P01 compound treatment 0.803 -0.0367 -0.38 0.689 -0.0911 -0.97 -0.9568 -0.9157 1672516 Maybridge4_002795 O=C(Nc1ccc2nonc2c1)N3CCOCC3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 P02 compound treatment 0.928 0.0883 0.91 0.974 0.194 2.07 2.1116 0.9325 3179272 Maybridge4_002796 FC(F)(F)c1ccccc1NC(=S)Nc2ccc3C=CS(=O)(=O)c3c2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 P03 compound treatment 0.981 0.141 1.46 0.874 0.0939 1.0 1.7443 0.983 3063964 Maybridge4_002797 CCCn1c(=O)n(c2ccccc2C)c3[nH]cnc3c1=O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 P04 compound treatment 0.69 -0.15 -1.55 0.598 -0.182 -1.95 -2.4718 -0.9937 1153341 Maybridge4_002798 Cc1c(CC(=O)NN)sc2ccc(Cl)cc12 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 P05 compound treatment 0.874 0.0343 0.36 0.775 -0.00512 -0.05 0.2128 0.5913 1289003 Maybridge4_002799 Cc1ccccc1n2ccc(=O)[nH]c2=O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 P06 compound treatment 0.418 -0.422 -4.37 0.313 -0.467 -4.99 -6.6168 -0.9978 3179273 Maybridge4_002800 Cc1c(sc2ccc(Cl)cc12)C(=O)CC#N 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 P07 compound treatment 0.792 -0.0477 -0.49 0.769 -0.0111 -0.12 -0.4331 -0.853 3063965 Maybridge4_002801 CSc1nnc(CNC(=O)OC(C)(C)C)n1C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 P08 compound treatment 1.142 0.302 3.13 1.137 0.357 3.81 4.9101 0.9952 3179274 Maybridge4_002802 Cc1c(COC(=O)c2ccccc2)sc3ccccc13 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 P09 compound treatment 1.007 0.167 1.73 0.944 0.164 1.75 2.4635 1.0 3179275 Maybridge4_002803 Cn1c(CNC(=O)c2cccs2)nnc1SCc3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 P10 compound treatment 1.011 0.171 1.77 0.969 0.189 2.02 2.6816 0.998 3063968 Maybridge4_002804 Cc1c(CNC(=O)c2ccc(cc2)C(F)(F)F)sc3ccccc13 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 P11 compound treatment 0.815 -0.0247 -0.26 0.835 0.0549 0.59 0.234 0.3659 1496234 Maybridge4_002805 CCc1ccc2[nH]c(cc2c1)C(=O)NC(C)COC 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 P12 compound treatment 0.05 -0.79 -8.18 0.056 -0.724 -7.74 -11.2533 -0.9996 1637130 Maybridge4_002806 Clc1ccc(cc1)N2N=C(CSc3nccc(n3)c4cccnc4)CC2=O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 P13 compound treatment 1.041 0.201 2.09 1.043 0.263 2.81 3.4604 0.9893 3179276 Maybridge4_002807 Clc1ccc(cc1)c2ccc(s2)C(=O)OCc3ccco3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 P14 compound treatment 0.429 -0.411 -4.25 0.327 -0.453 -4.84 -6.4305 -0.9979 3063969 Maybridge4_002808 CN1CCC(=N1)c2cccs2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 P15 compound treatment 1.16 0.32 3.32 1.024 0.244 2.61 4.1883 0.9928 3179277 Maybridge4_002809 FC(F)(F)c1ccc(CNC(=O)N/C=C/c2cccs2)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 P16 compound treatment 0.893 0.0533 0.55 0.848 0.0679 0.73 0.9034 0.991 3063970 Maybridge4_002810 Oc1nnc(c2cc(cc(c2)C(F)(F)F)C(F)(F)F)c3ccccc13 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 P17 compound treatment 1.052 0.212 2.2 1.028 0.248 2.65 3.4276 0.9957 3179278 Maybridge4_002811 COc1ccc(cc1)c2nc(cs2)c3ccc(C)cc3C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 P18 compound treatment 0.766 -0.0737 -0.76 0.689 -0.0911 -0.97 -1.2278 -0.9927 1676105 Maybridge4_002812 COc1ccc(cc1)c2nc(nc(=O)[nH]2)c3ccncc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 P19 compound treatment 0.864 0.0243 0.25 0.782 0.00188 0.02 0.1924 0.7609 3063971 Maybridge4_002813 OCc1cnc(S)n1Cc2ccccc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 P20 compound treatment 1.132 0.292 3.03 1.012 0.232 2.48 3.8926 0.995 1134458 Maybridge4_002814 CC1CN(CC(C)O1)c2ccc(NC(=S)NN)cc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 P21 compound treatment 0.04 -0.8 -8.28 0.041 -0.739 -7.9 -11.4398 -0.9997 3063972 Maybridge4_002815 Cc1ccc2sc(cc2c1)C(=O)O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 P22 compound treatment 0.612 -0.228 -2.36 0.669 -0.111 -1.19 -2.5067 -0.9496 3063973 Maybridge4_002816 CCCc1ccc(NC(=S)OCC)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 P23 mock treatment 0.833 -0.00666 -0.07 0.748 -0.0321 -0.34 -0.2914 -0.8325 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2056 P24 mock treatment 0.776 -0.0637 -0.66 0.756 -0.0241 -0.26 -0.6484 -0.916 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 A01 compound treatment 1.012 0.23 2.38 1.038 0.208 2.22 3.2527 0.9994 1585984 Maybridge4_003521 CC1=NN(C(=O)C2CC2)C(=O)C1Cc3ccc(F)cc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 A02 compound treatment 0.639 -0.143 -1.48 0.837 0.00694 0.07 -0.9974 -0.671 1074928 Maybridge4_003522 S=c1cc(ss1)c2ccccc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 A03 compound treatment 1.053 0.271 2.8 1.033 0.203 2.17 3.5152 0.9919 3178867 Maybridge4_003523 Fc1ccc(N(C(=O)c2ccco2)C3=NCCCC(=O)S3)c(F)c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 A04 compound treatment 0.997 0.215 2.22 1.039 0.209 2.23 3.1504 1.0 3065053 Maybridge4_003524 CN(C)C(=S)Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 A05 compound treatment 1.254 0.472 4.88 1.206 0.376 4.02 6.2941 0.9953 1513145 Maybridge4_003525 CCCc1nc(SCC(=O)c2ccc(Cl)cc2)nc(OC(=O)N(CC)CC)c1C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 A06 compound treatment 1.246 0.464 4.8 1.242 0.412 4.4 6.5075 0.9991 1235942 Maybridge4_003526 CC(C)(C)NC(=O)Nc1ccc2ccccc2c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 A07 compound treatment 1.228 0.446 4.62 1.269 0.439 4.69 6.5796 1.0 1494176 Maybridge4_003527 Cc1cccc(NC(=S)Nc2ccccn2)c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 A08 compound treatment 1.133 0.351 3.63 1.149 0.319 3.41 4.9774 0.9995 3065054 Maybridge4_003528 CNN1C(=O)c2cccc3cccc(C1=O)c23 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 A09 compound treatment 1.093 0.311 3.22 1.116 0.286 3.05 4.4351 0.9997 1077258 Maybridge4_003529 COc1ccc(cc1)C(CC(=O)c2ccccc2)CC(=O)c3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 A10 compound treatment 0.632 -0.15 -1.56 0.709 -0.121 -1.29 -2.0156 -0.9957 3065056 Maybridge4_003530 Brc1ccc(cc1)C(=O)CC(CC(=O)c2ccc(Br)cc2)c3cccnc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 A11 compound treatment 0.888 0.106 1.09 0.977 0.147 1.57 1.8838 0.9844 1076053 Maybridge4_003531 CN(C)CN1C(=O)c2ccccc2C1=O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 A12 compound treatment 0.207 -0.575 -5.96 0.268 -0.562 -6.0 -8.4595 -1.0 1711456 Maybridge4_003532 O=C1CSC(N1c2cccnc2)c3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 A13 compound treatment 0.696 -0.0863 -0.89 0.807 -0.0231 -0.25 -0.8066 -0.8695 3065058 Maybridge4_003533 Cc1c(C)c(NC(=O)/C=C/C(=O)O)c(C)c(C)c1NC(=O)/C=C/C(=O)O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 A14 compound treatment 0.777 -0.00534 -0.06 0.867 0.0369 0.39 0.2399 0.602 3065084 Maybridge4_003534 CCc1ccc(cc1)n2nn[nH]c2=S 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 A15 compound treatment 0.406 -0.376 -3.9 0.495 -0.335 -3.58 -5.2873 -0.9991 1012391 Maybridge4_003535 Clc1cccc(NC(=S)Nc2cccc(Cl)c2)c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 A16 compound treatment 0.806 0.0237 0.25 0.893 0.0629 0.67 0.6487 0.9065 3065085 Maybridge4_003536 Cc1oc2ccccc2c1CNC(=O)N 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 A17 compound treatment 0.857 0.0747 0.77 0.883 0.0529 0.57 0.9466 0.9882 1164445 Maybridge4_003537 CCc1ccc(cc1)N2C(=O)CC(Sc3ccccc3N)C2=O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 A18 compound treatment 1.043 0.261 2.7 1.026 0.196 2.09 3.3891 0.9921 3065086 Maybridge4_003538 C/C(=N\CCc1ccc(Cl)cc1)/c2ccccc2O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 A19 compound treatment 0.901 0.119 1.23 0.838 0.00794 0.08 0.9289 0.7541 1020973 Maybridge4_003539 CC1(NC(=O)NC1=O)C2CC2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 A20 compound treatment 0.406 -0.376 -3.9 0.376 -0.454 -4.85 -6.1863 -0.9941 3065087 Maybridge4_003540 Cc1ccc(NC(=C2C(=O)c3ccccc3C2=O)C#N)c(Cl)c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 A21 compound treatment 0.854 0.0717 0.74 0.928 0.0979 1.05 1.2646 0.9858 3065088 Maybridge4_003541 CC(=O)Nc1nnc(o1)c2c(C)onc2c3c(Cl)cccc3Cl 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 A22 compound treatment 1.109 0.327 3.38 1.131 0.301 3.21 4.6656 0.9997 3065089 Maybridge4_003542 Cc1cc(SCc2ccc(F)cc2)c(C)cc1Cl 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 A23 mock treatment 0.766 -0.0163 -0.17 0.808 -0.0221 -0.24 -0.2864 -0.9868 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 A24 mock treatment 0.804 0.0217 0.22 0.832 0.00194 0.02 0.1732 0.7691 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 B01 compound treatment 0.739 -0.0433 -0.45 0.772 -0.0581 -0.62 -0.756 -0.9874 1186435 Maybridge4_003543 CCc1ccc(O)c(c1)C2(O)C(=O)c3ccccc3C2=O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 B02 compound treatment 0.203 -0.579 -6.0 0.331 -0.499 -5.33 -8.0129 -0.9983 1389708 Maybridge4_003544 CCOc1ccc(NC23SCC(=O)C3CCc4ccccc42)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 B03 compound treatment 0.88 0.0977 1.01 0.907 0.0769 0.82 1.2964 0.9947 1565816 Maybridge4_003545 CC(C)(C)c1ccc(cc1)C(=O)Oc2ccccc2CCC(=O)O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 B04 compound treatment 0.118 -0.664 -6.88 0.066 -0.764 -8.16 -10.6372 -0.9964 3178868 Maybridge4_003546 CCSC(=S)c1c(C)nn(c1O)c2ccccc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 B05 compound treatment 0.139 -0.643 -6.66 0.274 -0.556 -5.94 -8.9122 -0.9984 1315983 Maybridge4_003547 Clc1ccc(NC(C#N)c2ccccc2)c(Cl)c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 B06 compound treatment 1.25 0.468 4.84 1.24 0.41 4.38 6.5217 0.9987 1049908 Maybridge4_003548 Fc1ccc(cc1)C(=O)c2ccccc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 B07 compound treatment 0.6 -0.182 -1.89 0.737 -0.0931 -0.99 -2.0384 -0.9551 3178869 Maybridge4_003549 NC(=S)Nc1ccccc1OC(F)(F)F 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 B08 compound treatment 0.896 0.114 1.18 0.979 0.149 1.59 1.9575 0.989 3178870 Maybridge4_003550 COc1ccc(cc1)C(=O)NCc2c(C)onc2c3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 B09 compound treatment 0.431 -0.351 -3.64 0.449 -0.381 -4.07 -5.4517 -0.9984 3065091 Maybridge4_003551 CC1CN(CC(C)O1)c2ccccc2OC(=O)Nc3ccc(OC(F)(F)F)cc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 B10 compound treatment 0.874 0.0917 0.95 0.905 0.0749 0.8 1.2373 0.9964 3178871 Maybridge4_003552 Clc1ccc2nc(NC(=O)C3CN(C3)C(c4ccccc4)c5ccccc5)sc2c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 B11 compound treatment 0.723 -0.0593 -0.61 0.898 0.0679 0.73 0.0786 0.0827 3178872 Maybridge4_003553 COc1ccc2cc(ccc2c1)C(C)C(=O)Nc3ccc(OC(F)(F)F)cc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 B12 compound treatment 0.403 -0.379 -3.93 0.437 -0.393 -4.2 -5.7474 -0.9994 3065092 Maybridge4_003554 CCc1ccnc(NC(=O)CC2(CC(=O)O)CCCCC2)c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 B13 compound treatment 1.376 0.594 6.15 1.384 0.554 5.92 8.5322 0.9998 1734850 Maybridge4_003555 COc1cc2N3C(=O)c4ccccc4C3(O)OC(=O)c2cc1OC 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 B14 compound treatment 1.245 0.463 4.79 1.265 0.435 4.65 6.6739 0.9999 3065093 Maybridge4_003556 Cc1nn(nc1CNC(=O)c2cc(F)cc3COCOc23)c4ccccc4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 B15 compound treatment 0.945 0.163 1.68 0.988 0.158 1.69 2.3843 1.0 3178873 Maybridge4_003557 NNC(=S)NCc1ccc(F)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 B16 compound treatment 0.84 0.0577 0.6 0.915 0.0849 0.91 1.0639 0.9794 3178874 Maybridge4_003558 Cc1nn(C)c2sc(cc12)C(=O)N(Cc3ccccn3)Cc4ccccn4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 B17 compound treatment 0.133 -0.649 -6.73 0.141 -0.689 -7.36 -9.9608 -0.999 3065094 Maybridge4_003559 CN/1N=C(CS\C1=N\c2ccccc2)C(C)(C)C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 B18 compound treatment 1.015 0.233 2.41 1.131 0.301 3.21 3.9772 0.9899 3178875 Maybridge4_003560 O=C(Nc1ccc(cc1)N2CCOCC2)c3cnc4ccccc4n3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 B19 compound treatment 0.902 0.12 1.24 1.0 0.17 1.82 2.1601 0.9827 1661129 Maybridge4_003561 Cc1ccc(CNC(=S)NCCO)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 B20 compound treatment 0.784 0.00166 0.02 0.803 -0.0271 -0.29 -0.1923 -0.664 3178876 Maybridge4_003562 CN1CCN(CC1)c2ccc(CNC(=O)c3ccc4OCCOc4c3)cc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 B21 compound treatment 0.932 0.15 1.55 0.998 0.168 1.79 2.3646 0.9973 1246483 Maybridge4_003563 COc1ccc(cc1)C2C3CCc4ccccc4C3=NN2CCOC(=O)C5CC5 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 B22 compound treatment 0.824 0.0417 0.43 0.908 0.0779 0.83 0.8938 0.9531 1407515 Maybridge4_003564 CCOC(=O)C1CCN(CC1)C(=O)CN2C(=O)c3ccccc3C2=O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 B23 mock treatment 0.817 0.0347 0.36 0.911 0.0809 0.86 0.8652 0.9242 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 B24 mock treatment 0.849 0.0667 0.69 0.917 0.0869 0.93 1.1449 0.9893 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 C01 compound treatment 0.697 -0.0853 -0.88 0.758 -0.0721 -0.77 -1.1694 -0.9976 3178877 Maybridge4_003565 CCCc1cc(O)nc(NC(=N)Nc2cccc(c2)C(F)(F)F)n1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 C02 compound treatment 0.764 -0.0183 -0.19 0.709 -0.121 -1.29 -1.0489 -0.8024 3065097 Maybridge4_003566 O=C1N(Nc2ccc(cc2)N3CCOCC3)C(=O)c4ccccc14 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 C03 compound treatment 0.692 -0.0903 -0.94 0.74 -0.0901 -0.96 -1.342 -0.9999 3065098 Maybridge4_003567 CCCc1nc(SCC2CC2)nc(O)c1CC=C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 C04 compound treatment 0.044 -0.738 -7.65 0.043 -0.787 -8.41 -11.3529 -0.9989 3178878 Maybridge4_003568 Oc1c(Cl)cc(Cl)cc1/C=N/c2ccnn2c3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 C05 compound treatment 0.249 -0.533 -5.52 0.207 -0.623 -6.66 -8.6127 -0.9957 3178879 Maybridge4_003569 FC(F)(F)c1ccc(NC(=S)NC(=O)/C=C/c2ccccc2)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 C06 compound treatment 1.191 0.409 4.23 1.249 0.419 4.48 6.1576 0.9996 1525321 Maybridge4_003570 CCc1ccc(NC(=S)Nc2ccccc2C(C)C)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 C07 compound treatment 0.831 0.0487 0.5 0.946 0.116 1.24 1.2322 0.9215 1218939 Maybridge4_003571 NNC(=S)NC1CCCCCCCCCCC1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 C08 compound treatment 0.623 -0.159 -1.65 0.625 -0.205 -2.19 -2.716 -0.9902 3065100 Maybridge4_003572 C(N1C2CCCCCN2c3ccccc13)c4ccncc4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 C09 compound treatment 1.051 0.269 2.78 1.104 0.274 2.93 4.0369 0.9997 3178880 Maybridge4_003573 O=C(CC(CC(=O)c1ccccc1)c2cccc3ccccc23)c4ccccc4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 C10 compound treatment 0.91 0.128 1.32 0.917 0.0869 0.93 1.5916 0.9851 3178881 Maybridge4_003574 Cn1cccc1C(=S)NC(=O)Nc2ccccc2Cl 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 C11 compound treatment 1.239 0.457 4.73 1.299 0.469 5.01 6.8868 0.9996 3065101 Maybridge4_003575 CC1CC(CC(C)(C)C1)NC(=S)N(C)C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 C12 compound treatment 0.633 -0.149 -1.55 0.679 -0.151 -1.61 -2.2349 -0.9998 3065130 Maybridge4_003576 Clc1ccc(cc1)N2C(SCC2=O)c3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 C13 compound treatment 0.646 -0.136 -1.41 0.716 -0.114 -1.22 -1.8602 -0.9973 1084590 Maybridge4_003577 FC(F)(F)c1cccc(c1)n2c(=O)c3ccccc3[nH]c2=S 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 C14 compound treatment 0.136 -0.646 -6.69 0.155 -0.675 -7.21 -9.8331 -0.9993 3065131 Maybridge4_003578 COc1ccc(Nc2cc(ccc2Cl)C(F)(F)F)c(c1)C(=O)O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 C15 compound treatment 0.786 0.00366 0.04 0.779 -0.0511 -0.55 -0.359 -0.6564 1657408 Maybridge4_003579 CCOc1ccc(cc1)n2c(=O)c3cc4c(=O)n(c5ccc(OCC)cc5)c(=O)c4cc3c2=O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 C16 compound treatment 0.926 0.144 1.49 0.919 0.0889 0.95 1.7239 0.9765 3065132 Maybridge4_003580 C/C(=N\CCc1c[nH]c2ccccc12)/c3ccccc3O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 C17 compound treatment 0.387 -0.395 -4.09 0.405 -0.425 -4.54 -6.1063 -0.9987 3065134 Maybridge4_003581 CCc1ccc(NC2=NCCS2)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 C18 compound treatment 0.925 0.143 1.48 1.002 0.172 1.84 2.3436 0.9942 3065135 Maybridge4_003582 Clc1ccc(CCn2nn[nH]c2=S)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 C19 compound treatment 0.851 0.0687 0.71 0.851 0.0209 0.22 0.661 0.8867 1919115 Maybridge4_003583 COc1ccc(CC/N=C/c2ccccc2O)cc1OC 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 C20 compound treatment 0.131 -0.651 -6.75 0.188 -0.642 -6.86 -9.6204 -1.0 3065136 Maybridge4_003584 O=C1C(=C(Nc2cccnc2)C#N)C(=O)c3ccccc13 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 C21 compound treatment 1.217 0.435 4.5 1.235 0.405 4.33 6.2422 0.9998 1317332 Maybridge4_003585 CC(C)c1cccc(C(C)C)c1NC(=S)Nc2cccc(C)c2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 C22 compound treatment 0.621 -0.161 -1.67 0.654 -0.176 -1.88 -2.5116 -0.9983 3065137 Maybridge4_003586 Clc1ccc(s1)C(=O)CC2OC(=O)c3ccccc23 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 C23 mock treatment 0.806 0.0237 0.25 0.836 0.00594 0.06 0.2181 0.8618 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 C24 mock treatment 0.836 0.0537 0.56 0.909 0.0789 0.84 0.9893 0.9795 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 D01 compound treatment 0.84 0.0577 0.6 0.884 0.0539 0.58 0.8297 0.9998 1200638 Maybridge4_003587 Cc1ccc(cc1)N2C(C(=O)c3ccc(C)cc3O)c4ccccc4C2=O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 D02 compound treatment 0.878 0.0957 0.99 0.943 0.113 1.21 1.5537 0.9952 1391574 Maybridge4_003588 COc1ccc(Cc2nnc(N)o2)cc1OC 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 D03 compound treatment 0.14 -0.642 -6.65 0.238 -0.592 -6.33 -9.1768 -0.9997 1057870 Maybridge4_003589 O=C1CC(=O)N(Cc2ccccc2)C(=O)N1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 D04 compound treatment 0.256 -0.526 -5.45 0.266 -0.564 -6.03 -8.1157 -0.9987 1006014 Maybridge4_003590 OC(=O)c1cc(O)nc(O)c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 D05 compound treatment 0.586 -0.196 -2.03 0.631 -0.199 -2.13 -2.9417 -0.9997 3178961 Maybridge4_003591 Cc1ccc(F)cc1N2C(=O)COCC2=O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 D06 compound treatment 0.703 -0.0793 -0.82 0.755 -0.0751 -0.8 -1.1481 -0.9999 3065138 Maybridge4_003592 N[C@@H](CC1CCCCC1)C(=O)O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 D07 compound treatment 0.724 -0.0583 -0.6 0.776 -0.0541 -0.58 -0.8357 -0.9997 3178962 Maybridge4_003593 OCC1(CO)CSC(=N1)Nc2ccc(F)cc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 D08 compound treatment 0.73 -0.0523 -0.54 0.806 -0.0241 -0.26 -0.5651 -0.9419 3065139 Maybridge4_003594 Cc1onc(c1CNC(=O)C2CCC2)c3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 D09 compound treatment 0.722 -0.0603 -0.62 0.711 -0.119 -1.27 -1.3414 -0.9465 3178963 Maybridge4_003595 FC(F)(F)Oc1ccc(NC(=O)Oc2ccccc2N3CCOCC3)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 D10 compound treatment 0.81 0.0277 0.29 0.895 0.0649 0.69 0.6931 0.9234 3178964 Maybridge4_003596 O=C(NCc1cc2ccccc2s1)C3CN(C3)C(c4ccccc4)c5ccccc5 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 D11 compound treatment 0.742 -0.0403 -0.42 0.827 -0.00306 -0.03 -0.3186 -0.7601 1719612 Maybridge4_003597 O=C1CC2(CCCc3ccccc32)C(=O)N1CN4CCOCC4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 D12 compound treatment 0.761 -0.0213 -0.22 0.814 -0.0161 -0.17 -0.2777 -0.9922 3178965 Maybridge4_003598 Fc1cc(NC(=O)Nc2ccc(cc2)c3nc4ccccc4s3)c5OCOCc5c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 D13 compound treatment 0.618 -0.164 -1.7 0.675 -0.155 -1.66 -2.375 -0.9999 3065140 Maybridge4_003599 CCCC(/N=C/c1cc(Cl)ccc1O)/N=C/c2cc(Cl)ccc2O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 D14 compound treatment 1.094 0.312 3.23 1.117 0.287 3.07 4.45 0.9997 3178966 Maybridge4_003600 CC(C)c1ccc(NC(=O)c2cc(F)cc3COCOc23)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 D15 compound treatment 0.984 0.202 2.09 1.042 0.212 2.26 3.0779 0.9992 3065142 Maybridge4_003601 Fc1ccc(Cn2nn[nH]c2=S)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 D16 compound treatment 0.904 0.122 1.26 1.006 0.176 1.88 2.22 0.9811 3178967 Maybridge4_003602 Cc1cc(CNC(=O)c2cc(C)n(C)n2)c(o1)C(F)(F)F 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 D17 compound treatment 1.083 0.301 3.11 1.159 0.329 3.51 4.6867 0.9982 1581411 Maybridge4_003603 COc1ccc(NC(=S)N2CCCC(=N2)c3ccccc3)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 D18 compound treatment 0.836 0.0537 0.56 0.901 0.0709 0.76 0.9288 0.9884 3065143 Maybridge4_003604 COc1ccc(CC(=O)Nc2ccc(cc2)N3CCOCC3)cc1OC 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 D19 compound treatment 1.174 0.392 4.06 1.217 0.387 4.13 5.7913 1.0 3178968 Maybridge4_003605 CN(C)C(=S)NCCC1=CCCCC1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 D20 compound treatment 0.77 -0.0123 -0.13 0.749 -0.0811 -0.87 -0.7028 -0.8028 3065144 Maybridge4_003606 CN1CCN(CC1)c2ccc(CNS(=O)(=O)c3ccc4OCCc4c3)cc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 D21 compound treatment 0.842 0.0597 0.62 0.895 0.0649 0.69 0.9274 0.9983 3178969 Maybridge4_003607 CSc1ccc(cc1)C2C3CCCc4ccccc4C3=NN2CCO 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 D22 compound treatment 0.33 -0.452 -4.68 0.312 -0.518 -5.53 -7.2263 -0.9966 1607790 Maybridge4_003608 Fc1ccc(NC(=O)CN2C(=O)c3ccccc3C2=O)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 D23 mock treatment 0.737 -0.0453 -0.47 0.919 0.0889 0.95 0.3398 0.3206 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 D24 mock treatment 0.793 0.0107 0.11 0.811 -0.0191 -0.2 -0.066 -0.2848 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 E01 compound treatment 0.833 0.0507 0.52 0.936 0.106 1.13 1.1713 0.9389 1514931 Maybridge4_003609 CC(C)(C)C(=O)Nc1nc(NC(=O)C(C)(C)C)nc(n1)c2ccccc2Cl 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 E02 compound treatment 1.028 0.246 2.54 1.063 0.233 2.49 3.5587 0.9999 3178970 Maybridge4_003610 CC1CC(CC(C)(C)C1)NC(=S)Nc2cc(C)ccc2C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 E03 compound treatment 0.832 0.0497 0.51 0.892 0.0619 0.66 0.8315 0.9922 3065145 Maybridge4_003611 Cc1cccc(C)c1NC(=S)N2CCCC2=O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 E04 compound treatment 0.713 -0.0693 -0.72 0.753 -0.0771 -0.82 -1.09 -0.9977 3178971 Maybridge4_003612 Oc1ccccc1/C=N/c2ccccc2C(F)(F)F 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 E05 compound treatment 0.947 0.165 1.71 0.981 0.151 1.61 2.3461 0.9996 3178972 Maybridge4_003613 Oc1nc(S)nc(c1Cc2ccc(Cl)c(Cl)c2)C(F)(F)F 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 E06 compound treatment 1.038 0.256 2.65 1.056 0.226 2.41 3.5791 0.9989 3065146 Maybridge4_003614 CCOc1ccc(NC(=S)NC(c2ccccc2)c3ccccc3)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 E07 compound treatment 0.218 -0.564 -5.84 0.309 -0.521 -5.57 -8.0692 -0.9997 3178973 Maybridge4_003615 Cc1cccc(C)c1NC2=NCCS2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 E08 compound treatment 0.63 -0.152 -1.58 0.718 -0.112 -1.2 -1.9622 -0.9907 3065190 Maybridge4_003616 COc1cc(CN2C3CCCCCN3c4ccccc24)cc(OC)c1OC 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 E09 compound treatment 0.763 -0.0193 -0.2 0.862 0.0319 0.34 0.0996 0.2517 1023038 Maybridge4_003617 CN(C)C(=S)Nc1ccccc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 E10 compound treatment 0.215 -0.567 -5.88 0.223 -0.607 -6.49 -8.7408 -0.9988 3065191 Maybridge4_003618 S=c1[nH]nnn1C2CC3CC2C4C=CCC34 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 E11 compound treatment 0.686 -0.0963 -1.0 0.736 -0.0941 -1.0 -1.4161 -1.0 3065192 Maybridge4_003619 C(=N/c1ccccc1)\c2ccccc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 E12 compound treatment 0.703 -0.0793 -0.82 0.767 -0.0631 -0.67 -1.0575 -0.9951 3065193 Maybridge4_003620 CC(C)(C)c1ccc(/N=C/c2ccccc2O)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 E13 compound treatment 0.812 0.0297 0.31 0.904 0.0739 0.79 0.7757 0.9153 1597004 Maybridge4_003621 CN(C)C(=S)Nc1ccc(cc1)S(=O)(=O)N2CCCCC2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 E14 compound treatment 0.751 -0.0313 -0.32 0.852 0.0219 0.23 -0.0638 -0.1594 3065194 Maybridge4_003622 CCCNC(=O)OCN1C(=O)c2ccc(N)cc2C1=O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 E15 compound treatment 0.522 -0.26 -2.7 0.549 -0.281 -3.0 -4.0298 -0.9986 3065195 Maybridge4_003623 Cc1cccc(NC2=NCCCS2)c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 E16 compound treatment 0.965 0.183 1.89 1.03 0.2 2.14 2.8481 0.9982 3178974 Maybridge4_003624 O=C1CSC(N1)c2cccs2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 E17 compound treatment 0.987 0.205 2.12 1.032 0.202 2.16 3.0243 1.0 3065196 Maybridge4_003625 COc1cc(NC(=S)N(C)C)c(OC)cc1Cl 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 E18 compound treatment 0.531 -0.251 -2.6 0.54 -0.29 -3.1 -4.0319 -0.9962 1132507 Maybridge4_003626 NNC(=S)NCCc1ccc(Cl)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 E19 compound treatment 0.049 -0.733 -7.6 0.055 -0.775 -8.28 -11.2257 -0.9991 3178975 Maybridge4_003627 Oc1ccc2ccccc2c1/C=N/Cc3cccnc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 E20 compound treatment 0.835 0.0527 0.55 0.914 0.0839 0.9 1.0197 0.9716 1203485 Maybridge4_003628 CC(CC(=O)O)CC(=O)Nc1ccc(C)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 E21 compound treatment 1.026 0.244 2.52 1.041 0.211 2.25 3.3779 0.9984 3178976 Maybridge4_003629 CSc1cccc(NC(=S)NN(C)C)c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 E22 compound treatment 0.866 0.0837 0.87 0.9 0.0699 0.75 1.141 0.9973 1385701 Maybridge4_003630 CC(C)(CC(=O)O)CC(=O)Nc1ccc(Cl)cc1Cl 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 E23 mock treatment 0.654 -0.128 -1.33 0.824 -0.00606 -0.06 -0.9857 -0.7407 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 E24 mock treatment 0.844 0.0617 0.64 0.904 0.0739 0.79 1.0101 0.9944 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 F01 compound treatment 0.79 0.00766 0.08 0.812 -0.0181 -0.19 -0.0804 -0.3853 1225773 Maybridge4_003631 Cc1cc(C)c(O)c(c1)C2(O)C(=O)c3ccccc3C2=O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 F02 compound treatment 0.695 -0.0873 -0.9 0.788 -0.0421 -0.45 -0.9574 -0.9479 1310128 Maybridge4_003632 OCCn1nc(O)ccc1=O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 F03 compound treatment 0.667 -0.115 -1.19 0.755 -0.0751 -0.8 -1.4118 -0.9812 1400202 Maybridge4_003633 O=c1n(Cc2cccnc2)c(=S)[nH]c3ccccc13 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 F04 compound treatment 0.701 -0.0813 -0.84 0.802 -0.0281 -0.3 -0.8077 -0.9032 1055139 Maybridge4_003634 C(CC1CCNCC1)CC2CCNCC2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 F05 compound treatment 0.887 0.105 1.08 0.969 0.139 1.48 1.816 0.9881 1205535 Maybridge4_003635 CN1N=C2C(CCc3ccccc23)C1c4ccc(F)cc4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 F06 compound treatment 0.999 0.217 2.24 1.057 0.227 2.42 3.301 0.9993 1475761 Maybridge4_003636 OC(=O)C1CCN(CC1)C(=O)OCC2c3ccccc3-c4ccccc24 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 F07 compound treatment 0.775 -0.00734 -0.08 0.881 0.0509 0.54 0.331 0.6024 3065197 Maybridge4_003637 COc1ccccc1NC2=NC(CO)(CO)CS2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 F08 compound treatment 0.087 -0.695 -7.2 0.1 -0.73 -7.8 -10.6074 -0.9992 3178977 Maybridge4_003638 Cc1onc(c1CNS(=O)(=O)c2cccc(Cl)c2)c3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 F09 compound treatment 0.771 -0.0113 -0.12 0.828 -0.00206 -0.02 -0.0987 -0.8253 1679129 Maybridge4_003639 OCCn1c(=O)[nH]c2ccsc2c1=O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 F10 compound treatment 0.912 0.13 1.34 1.008 0.178 1.9 2.2937 0.9855 3178978 Maybridge4_003640 O=C(Nc1ccc(cc1)n2cncn2)c3ccccc3N4CCOCC4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 F11 compound treatment 0.768 -0.0143 -0.15 0.849 0.0189 0.2 0.038 0.1514 1432542 Maybridge4_003641 OC1(NC(=O)Cc2ccccc2Cl)C(=O)c3ccccc3C1=O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 F12 compound treatment 1.178 0.396 4.1 1.119 0.289 3.09 5.0803 0.9902 3178979 Maybridge4_003642 CSc1c(c(N)nn1C(=O)C2CCC2)c3ccccn3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 F13 compound treatment 1.089 0.307 3.18 1.121 0.291 3.11 4.4436 0.9999 1512720 Maybridge4_003643 CN1OC(COC(=O)c2cc(Cl)cc(Cl)c2)CC31C4CC5CC(C4)CC3C5 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 F14 compound treatment 0.751 -0.0313 -0.32 0.834 0.00394 0.04 -0.1998 -0.6104 3065199 Maybridge4_003644 NC(=O)c1ccc(NC(=O)c2cccc3OCCCOc23)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 F15 compound treatment 0.888 0.106 1.09 0.943 0.113 1.21 1.6269 0.9988 3065200 Maybridge4_003645 Cc1ccc2nc(oc2c1)c3ccc(cc3)C(F)(F)F 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 F16 compound treatment 0.858 0.0757 0.78 0.953 0.123 1.31 1.4828 0.9695 3178980 Maybridge4_003646 Cc1cc(nn1C)C(=O)NCC2COc3ccccc3O2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 F17 compound treatment 1.119 0.337 3.49 1.123 0.293 3.13 4.6784 0.9985 3065201 Maybridge4_003647 Cc1ccc(NC(=S)N2CCCC(=N2)c3ccccc3)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 F18 compound treatment 0.982 0.2 2.07 0.991 0.161 1.72 2.6779 0.9958 3178981 Maybridge4_003648 COc1ccc(CC(=O)Nc2ccc(cc2)c3cnco3)cc1OC 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 F19 compound treatment 0.881 0.0987 1.02 0.918 0.0879 0.94 1.3868 0.9991 1597585 Maybridge4_003649 COc1ccc(CNC(=S)NCCO)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 F20 compound treatment 0.751 -0.0313 -0.32 0.828 -0.00206 -0.02 -0.2451 -0.7534 3065202 Maybridge4_003650 CN1CCN(CC1)c2ccc(CNS(=O)(=O)c3sc(C)nc3C)cc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 F21 compound treatment 0.972 0.19 1.96 0.797 -0.0331 -0.35 1.1392 0.5708 2107603 Maybridge4_003651 O=C1/C(=C/c2ccccc2)/CCCc3ccccc13 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 F22 compound treatment 0.821 0.0387 0.4 0.907 0.0769 0.82 0.8643 0.9454 3179070 Maybridge4_003652 O=C1NCCCCC1NS(=O)(=O)c2cccc3ccccc23 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 F23 mock treatment 0.825 0.0427 0.44 0.888 0.0579 0.62 0.7501 0.9863 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 F24 mock treatment 0.778 -0.00434 -0.04 0.826 -0.00406 -0.04 -0.0625 -0.9998 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 G01 compound treatment 0.765 -0.0173 -0.18 0.828 -0.00206 -0.02 -0.1426 -0.7879 3065203 Maybridge4_003653 CC(C)(C)C(=O)Nc1nc(NC(=O)C(C)(C)C)nc(n1)c2ccccc2C(F)(F)F 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 G02 compound treatment 0.984 0.202 2.09 1.096 0.266 2.84 3.4858 0.9885 3179071 Maybridge4_003654 Fc1cccc(NC(=S)NCc2ccc3OCOc3c2)c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 G03 compound treatment 1.125 0.343 3.55 1.121 0.291 3.11 4.7073 0.9978 1323302 Maybridge4_003655 CCCc1nc(nc(OC(=O)N(C)C)c1Cc2c(F)cccc2Cl)c3ccccn3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 G04 compound treatment 1.025 0.243 2.51 1.103 0.273 2.92 3.8389 0.9973 3065204 Maybridge4_003656 COC(=C(C#N)C#N)c1c(C)onc1c2ccccc2Cl 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 G05 compound treatment 0.399 -0.383 -3.97 0.547 -0.283 -3.02 -4.9457 -0.991 3065205 Maybridge4_003657 CC(C)(C)C(=O)Cn1nnc(n1)c2cccc(c2)C(F)(F)F 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 G06 compound treatment 0.782 -3.44E-4 0.0 0.884 0.0539 0.58 0.4049 0.7027 3179072 Maybridge4_003658 COC(=O)c1cc(NC(=O)/C=C/C(=O)O)ccc1N2CCOCC2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 G07 compound treatment 0.681 -0.101 -1.05 0.785 -0.0451 -0.48 -1.0826 -0.9375 3065206 Maybridge4_003659 Sc1nnc(Nc2ccccc2)s1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 G08 compound treatment 0.059 -0.723 -7.49 0.063 -0.767 -8.19 -11.092 -0.999 3065300 Maybridge4_003660 CC1(C)NN(C(=O)N1)c2ccccc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 G09 compound treatment 0.258 -0.524 -5.43 0.272 -0.558 -5.96 -8.0558 -0.9989 1076488 Maybridge4_003661 CCOc1ccc(cc1)N2CSC(=S)N(C2)c3ccc(OCC)cc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 G10 compound treatment 0.523 -0.259 -2.69 0.581 -0.249 -2.66 -3.7808 -1.0 3065240 Maybridge4_003662 CC(C)N(Cc1ccccc1)C(=S)Nc2ccc(cc2)C(C)C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 G11 compound treatment 0.714 -0.0683 -0.71 0.835 0.00494 0.05 -0.4632 -0.6526 3065241 Maybridge4_003663 OCCNC(=S)c1ccccc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 G12 compound treatment 0.866 0.0837 0.87 0.933 0.103 1.1 1.3903 0.993 3065242 Maybridge4_003664 CC(C)(C)C(=O)Nc1ccc(cc1)C(C)(C)C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 G13 compound treatment 1.17 0.388 4.01 1.206 0.376 4.02 5.6789 1.0 3065243 Maybridge4_003665 Cc1ccc2[nH]c(=S)n(C3CC4CC3C=C4)c(=O)c2c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 G14 compound treatment 0.744 -0.0383 -0.4 0.813 -0.0171 -0.18 -0.4097 -0.9376 3065244 Maybridge4_003666 CC1(C)CC(=O)C=C(C1)NC(=O)Nc2ccccc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 G15 compound treatment 0.858 0.0757 0.78 0.937 0.107 1.14 1.3619 0.9831 3482133 Maybridge4_003667 CC(C)C(NS(=O)(=O)c1ccccc1)C(=O)O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 G16 compound treatment 0.049 -0.733 -7.6 0.047 -0.783 -8.37 -11.2861 -0.9988 3065245 Maybridge4_003668 Cc1ccc(cc1Cl)N2C(=O)N(C(=N)C2=S)c3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 G17 compound treatment 0.773 -0.00934 -0.1 0.809 -0.0211 -0.23 -0.2275 -0.9289 3179073 Maybridge4_003669 Cc1c(C)c(C)c(CSc2cccc(NC(=O)/C=C/C(=O)O)c2)c(C)c1C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 G18 compound treatment 0.075 -0.707 -7.33 0.073 -0.757 -8.09 -10.8993 -0.9988 3065246 Maybridge4_003670 CC1=CCC2C(C1)C(=O)N(C2=O)c3ccc(cc3)C4CCCCC4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 G19 compound treatment 0.844 0.0617 0.64 0.929 0.0989 1.06 1.1989 0.9709 3179074 Maybridge4_003671 CN(CC(=O)O)C(=S)c1ccccc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 G20 compound treatment 0.376 -0.406 -4.21 0.4 -0.43 -4.59 -6.2247 -0.999 3179075 Maybridge4_003672 CSc1ccc(/C=N/n2c(=O)oc3ccccc3c2=O)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 G21 compound treatment 0.666 -0.116 -1.2 0.724 -0.106 -1.13 -1.6533 -0.9995 3065247 Maybridge4_003673 CN(C)NC(=S)Nc1ccc(C)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 G22 compound treatment 0.115 -0.667 -6.91 0.14 -0.69 -7.37 -10.1002 -0.9995 1356260 Maybridge4_003674 N#Cc1ccc(cc1)C(N2CCSCC2)N3CCSCC3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 G23 mock treatment 0.697 -0.0853 -0.88 0.8 -0.0301 -0.32 -0.8521 -0.9061 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 G24 mock treatment 0.827 0.0447 0.46 0.822 -0.00806 -0.09 0.2661 0.5657 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 H01 compound treatment 1.148 0.366 3.79 1.171 0.341 3.64 5.2534 0.9998 3065248 Maybridge4_003675 Clc1cccc(Cl)c1CSCc2cc3ccccc3o2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 H02 compound treatment 0.659 -0.123 -1.28 0.749 -0.0811 -0.87 -1.5157 -0.9821 1495324 Maybridge4_003676 CSCC(O)Cn1nc(O)ccc1=O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 H03 compound treatment 0.042 -0.74 -7.67 0.043 -0.787 -8.41 -11.3676 -0.9989 3065250 Maybridge4_003677 CN(C)/C=C/1\C(=O)N(C)N=C1c2ccccc2O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 H04 compound treatment 0.708 -0.0743 -0.77 0.846 0.0159 0.17 -0.4241 -0.5378 3179076 Maybridge4_003678 NC(=N)c1ccc(cc1)C(=O)N 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 H05 compound treatment 0.718 -0.0643 -0.67 0.853 0.0229 0.25 -0.2979 -0.4196 3065251 Maybridge4_003679 NC1=C(C#N)C(C#N)(C#N)C2CCCC(=C21)N3CCOCC3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 H06 compound treatment 0.722 -0.0603 -0.62 0.852 0.0219 0.23 -0.2762 -0.4138 3179077 Maybridge4_003680 CC(C)(C)OC(=O)N1CCCC[C@@H]1C(=O)O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 H07 compound treatment 0.871 0.0887 0.92 0.944 0.114 1.22 1.51 0.9903 3179078 Maybridge4_003681 FC(F)(F)c1ccc(cc1)C(=O)NCc2csc3ccc(Cl)cc23 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 H08 compound treatment 0.756 -0.0263 -0.27 0.754 -0.0761 -0.81 -0.7675 -0.8954 3065253 Maybridge4_003682 Cc1onc(c1CNC(=O)Nc2ccccc2)c3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 H09 compound treatment 0.124 -0.658 -6.82 0.108 -0.722 -7.71 -10.276 -0.9981 3179079 Maybridge4_003683 Fc1cccc(Cl)c1/C=N/Cc2ccc(Cl)cc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 H10 compound treatment 0.812 0.0297 0.31 0.876 0.0459 0.49 0.5642 0.9745 3065255 Maybridge4_003684 OC(=O)CC1(CC(=O)NCc2ccccn2)CCCCC1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 H11 compound treatment 0.822 0.0397 0.41 0.929 0.0989 1.06 1.0378 0.9152 1354093 Maybridge4_003685 CC(=O)Nc1ccccc1OCCN(Cc2ccccc2)C(=O)c3ccc(Cl)cc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 H12 compound treatment 1.141 0.359 3.71 1.206 0.376 4.02 5.4665 0.9992 3179080 Maybridge4_003686 CC1(C)Cc2cccc(C(=O)N3CCC(CC3)c4c[nH]c5ccccc45)c2O1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 H13 compound treatment 1.05 0.268 2.77 1.131 0.301 3.21 4.2335 0.9973 1211536 Maybridge4_003687 COc1ccc(cc1)C(=O)CC(C(=O)c2ccccc2)c3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 H14 compound treatment 1.12 0.338 3.5 1.184 0.354 3.78 5.1466 0.9992 3179081 Maybridge4_003688 FC(F)(SCc1c(Cl)cccc1Cl)C(=O)c2cnc3ccccn23 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 H15 compound treatment 0.367 -0.415 -4.3 0.478 -0.352 -3.76 -5.7013 -0.9978 3065256 Maybridge4_003689 O=C1/C(=C/C2CCCCC2)/CCCc3ccccc13 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 H16 compound treatment 0.767 -0.0153 -0.16 0.821 -0.00906 -0.1 -0.1808 -0.9718 3179082 Maybridge4_003690 Cc1cc(nn1C)C(=O)NCc2cc(F)cc3COCOc23 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 H17 compound treatment 0.76 -0.0223 -0.23 0.869 0.0389 0.42 0.1305 0.2742 3179083 Maybridge4_003691 CC1OCN(Cn2c1nc3ccc(Cl)cc23)c4ccc(OC(F)(F)F)cc4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 H18 compound treatment 0.804 0.0217 0.22 0.951 0.121 1.29 1.0722 0.8176 3065257 Maybridge4_003692 COc1ccc(CC(=O)N2CCN(CC2)c3ncccn3)cc1OC 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 H19 compound treatment 0.881 0.0987 1.02 0.92 0.0899 0.96 1.4019 0.9995 3065258 Maybridge4_003693 COc1ccc(CNC(=S)NN)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 H20 compound treatment 0.79 0.00766 0.08 0.808 -0.0221 -0.24 -0.1106 -0.4447 3179084 Maybridge4_003694 CN1CCN(CC1)c2ccc(CNS(=O)(=O)c3cccc4nonc34)cc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 H21 compound treatment 1.185 0.403 4.17 1.191 0.361 3.86 5.6755 0.9992 1247395 Maybridge4_003695 CN1N=C2C(CCCc3ccccc23)C1c4ccc5OCOc5c4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 H22 compound treatment 0.747 -0.0353 -0.37 0.851 0.0209 0.22 -0.1007 -0.2347 3065259 Maybridge4_003696 Cc1cc(c(C)s1)S(=O)(=O)NC2CCCCNC2=O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 H23 mock treatment 0.808 0.0257 0.27 0.809 -0.0211 -0.23 0.0288 0.0827 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 H24 mock treatment 0.794 0.0117 0.12 0.805 -0.0251 -0.27 -0.104 -0.354 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 I01 compound treatment 0.924 0.142 1.47 1.015 0.185 1.98 2.4345 0.9893 1362748 Maybridge4_003697 CCc1cccc(C)c1NC(=S)NCCC(=O)O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 I02 compound treatment 1.092 0.31 3.21 1.176 0.346 3.7 4.8811 0.9975 3065301 Maybridge4_003698 Clc1ccc(NC(=S)NC2CCCC2)cc1Cl 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 I03 compound treatment 1.032 0.25 2.59 1.055 0.225 2.4 3.5276 0.9993 1186254 Maybridge4_003699 CCN(CC)C(=O)Oc1nc(nc(COC)c1CC2CC2)c3ccccn3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 I04 compound treatment 0.154 -0.628 -6.51 0.163 -0.667 -7.13 -9.6408 -0.999 3065303 Maybridge4_003700 C1CN=C(Nc2ccccc2c3ccccc3)S1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 I05 compound treatment 0.756 -0.0263 -0.27 0.836 0.00594 0.06 -0.1481 -0.5286 1358941 Maybridge4_003701 Clc1ccc(cc1)c2csc(NC(=S)NC(=O)C3CC3)n2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 I06 compound treatment 0.92 0.138 1.43 0.964 0.134 1.43 2.0199 1.0 3065304 Maybridge4_003702 CCOC(=O)c1ccc(Cl)c(NC(=S)N(C)C)c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 I07 compound treatment 1.124 0.342 3.54 1.191 0.361 3.86 5.2287 0.9991 1536146 Maybridge4_003703 S=C(NCc1ccccc1)NC(Cc2ccccc2)c3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 I08 compound treatment 0.746 -0.0363 -0.38 0.842 0.0119 0.13 -0.176 -0.4428 3065305 Maybridge4_003704 FC(F)(F)c1cc(NC(=S)NC2CCCCC2)cc(c1)C(F)(F)F 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 I09 compound treatment 0.723 -0.0593 -0.61 0.837 0.00694 0.07 -0.3822 -0.6174 3179085 Maybridge4_003705 S=C1SCN(Cc2ccccc2)CN1Cc3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 I10 compound treatment 0.972 0.19 1.96 1.011 0.181 1.93 2.7558 1.0 3179086 Maybridge4_003706 CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)NC(=S)Nc2ccc(F)cc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 I11 compound treatment 1.28 0.498 5.15 1.326 0.496 5.3 7.391 0.9999 3065306 Maybridge4_003707 COc1ccc(CCNC(=S)NC(=O)c2ccc(Cl)cc2Cl)cc1OC 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 I12 compound treatment 0.743 -0.0393 -0.41 0.811 -0.0191 -0.2 -0.4321 -0.9486 3179087 Maybridge4_003708 COc1ccc(/C=N/c2ccc(cc2)C(C)(C)C)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 I13 compound treatment 0.163 -0.619 -6.41 0.161 -0.669 -7.15 -9.59 -0.9985 3065307 Maybridge4_003709 Clc1cccc(Cl)c1/N=C\2/NCCS2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 I14 compound treatment 0.725 -0.0573 -0.59 0.848 0.0179 0.19 -0.2845 -0.4558 1044972 Maybridge4_003710 NNC(=O)Cc1cccc2ccccc12 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 I15 compound treatment 0.876 0.0937 0.97 0.952 0.122 1.3 1.607 0.9895 3065308 Maybridge4_003711 Cc1ccc2[nH]c(nc2c1)c3cccc4ccccc34 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 I16 compound treatment 0.994 0.212 2.19 1.078 0.248 2.65 3.423 0.9956 3179088 Maybridge4_003712 OC(=O)CC(CC(=O)Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F)c2ccc(Cl)cc2Cl 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 I17 compound treatment 0.636 -0.146 -1.52 0.766 -0.0641 -0.68 -1.5557 -0.9355 3179089 Maybridge4_003713 CC(C)c1ccc2c(CCC3C(C)(CNC(=O)/C=C/C(=O)O)CCCC32C)c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 I18 compound treatment 0.822 0.0397 0.41 0.943 0.113 1.21 1.1436 0.8973 1216891 Maybridge4_003714 Ic1ccc(NC(=O)Cc2cccc3ccccc23)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 I19 compound treatment 0.773 -0.00934 -0.1 0.811 -0.0191 -0.2 -0.2124 -0.9422 3065310 Maybridge4_003715 Fc1ccc(NC2=NCCN2)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 I20 compound treatment 1.052 0.27 2.79 1.092 0.262 2.8 3.9536 1.0 3179090 Maybridge4_003716 CC1CC(=O)N(C1=O)c2cc(cc(c2)C(F)(F)F)C(F)(F)F 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 I21 compound treatment 0.603 -0.179 -1.86 0.593 -0.237 -2.53 -3.1043 -0.9884 3065312 Maybridge4_003717 COc1ccc(/N=C/c2ccc(cc2)N(C)CCC#N)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 I22 compound treatment 0.554 -0.228 -2.36 0.688 -0.142 -1.52 -2.7455 -0.977 1341869 Maybridge4_003718 C1CN(CCO1)C(N2CCOCC2)c3ccncc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 I23 mock treatment 0.751 -0.0313 -0.32 0.746 -0.0841 -0.9 -0.8646 -0.9054 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 I24 mock treatment 0.817 0.0347 0.36 0.827 -0.00306 -0.03 0.2307 0.64 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 J01 compound treatment 0.631 -0.151 -1.57 0.724 -0.106 -1.13 -1.9096 -0.9873 1699626 Maybridge4_003719 CC(C)(C)c1ccc(NC(=O)N2CCOCC2)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 J02 compound treatment 1.122 0.34 3.52 1.124 0.294 3.14 4.708 0.9984 1369792 Maybridge4_003720 Fc1ccc(cc1)C2=NN(CCC2)C(=S)NCc3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 J03 compound treatment 1.176 0.394 4.08 1.174 0.344 3.67 5.4811 0.9987 3065313 Maybridge4_003721 Cc1onc(c1c2nc3ccc(I)cc3c(=O)o2)c4ccccc4Cl 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 J04 compound treatment 0.094 -0.688 -7.13 0.119 -0.711 -7.6 -10.4126 -0.9995 1076697 Maybridge4_003722 CC1=NN(C(=O)C1)c2cccc(Cl)c2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 J05 compound treatment 0.663 -0.119 -1.24 0.833 0.00294 0.03 -0.8518 -0.6889 3179091 Maybridge4_003723 Cn1c(=O)sn(c2ccccc2)c1=O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 J06 compound treatment 0.657 -0.125 -1.3 0.706 -0.124 -1.33 -1.8552 -0.9999 3179172 Maybridge4_003724 Clc1ccc(NC(=O)c2ccc3ncsc3c2)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 J07 compound treatment 1.122 0.34 3.52 1.129 0.299 3.19 4.7457 0.9988 3065315 Maybridge4_003725 Cc1ccc(cc1)C(=O)CC(C(=O)c2ccc(cc2)C(F)(F)F)c3cccs3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 J08 compound treatment 0.926 0.144 1.49 0.943 0.113 1.21 1.9052 0.9946 3179173 Maybridge4_003726 Cc1onc(c1CNC(=O)NC2CCN(CC2)C(=O)OCc3ccccc3)c4ccccc4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 J09 compound treatment 0.913 0.131 1.35 0.968 0.138 1.47 1.9989 0.9991 1543567 Maybridge4_003727 CN1N=C2C(CCc3ccccc23)C1c4ccc(C#N)cc4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 J10 compound treatment 0.774 -0.00834 -0.09 0.868 0.0379 0.41 0.2255 0.5441 3065317 Maybridge4_003728 Cc1noc(c1NC(=O)Nc2ccccc2)c3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 J11 compound treatment 0.771 -0.0113 -0.12 0.894 0.0639 0.68 0.3999 0.577 3179174 Maybridge4_003729 CCOC(=O)C1C(CC(=CC1=O)c2ccc3ccccc3c2)c4ccc(cc4)C(F)(F)F 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 J12 compound treatment 1.175 0.393 4.07 1.125 0.295 3.15 5.1037 0.992 3065318 Maybridge4_003730 CC1(C)Cc2cccc(C(=O)Nc3ccc(cc3)C(F)(F)F)c2O1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 J13 compound treatment 0.726 -0.0563 -0.58 0.884 0.0539 0.58 -0.0052 -0.0063 1351189 Maybridge4_003731 CC1=C(C(=O)OC(C)(C)C)C2(C(=O)Nc3ccccc32)C(=C(N)O1)C#N 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 J14 compound treatment 0.74 -0.0423 -0.44 0.761 -0.0691 -0.74 -0.8318 -0.9691 3065319 Maybridge4_003732 CC1(C)CCc2cc(ccc2O1)S(=O)(=O)N(Cc3ccccn3)Cc4ccccn4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 J15 compound treatment 0.595 -0.187 -1.94 0.701 -0.129 -1.38 -2.347 -0.986 3179175 Maybridge4_003733 COc1ccc(C/N=C/c2ccc(cc2)C(F)(F)F)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 J16 compound treatment 0.757 -0.0253 -0.26 0.819 -0.0111 -0.12 -0.2692 -0.9351 3065320 Maybridge4_003734 Cc1cc(nn1C)C(=O)NCc2cccn2C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 J17 compound treatment 1.18 0.398 4.12 1.195 0.365 3.9 5.6691 0.9996 3179176 Maybridge4_003735 FC(F)(F)c1ccc(/C=C(\C#N)/c2csc3ccccc23)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 J18 compound treatment 0.83 0.0477 0.49 0.918 0.0879 0.94 1.0133 0.9548 3065361 Maybridge4_003736 COc1ccc(CC(=O)NCc2cc(C)oc2C(F)(F)F)cc1OC 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 J19 compound treatment 0.522 -0.26 -2.7 0.582 -0.248 -2.65 -3.7806 -1.0 3065362 Maybridge4_003737 CCOc1cccc(/C=N/c2nnc(SC)s2)c1O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 J20 compound treatment 1.07 0.288 2.98 1.125 0.295 3.15 4.3347 0.9996 3065363 Maybridge4_003738 COC(=O)c1cc(oc1C)S(=O)(=O)N2CCSC2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 J21 compound treatment 0.771 -0.0113 -0.12 0.825 -0.00506 -0.05 -0.1213 -0.938 3065364 Maybridge4_003739 Cn1c2NCN(CC3CC3)Cc2c(=O)n(C)c1=O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 J22 compound treatment 0.739 -0.0433 -0.45 0.787 -0.0431 -0.46 -0.6427 -0.9999 3065366 Maybridge4_003740 O=C(NC1CCCCNC1=O)c2csc3ccccc23 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 J23 mock treatment 0.784 0.00166 0.02 0.845 0.0149 0.16 0.125 0.7786 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 J24 mock treatment 0.784 0.00166 0.02 0.829 -0.00106 -0.01 0.0041 0.1995 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 K01 compound treatment 0.76 -0.0223 -0.23 0.776 -0.0541 -0.58 -0.572 -0.9194 1480507 Maybridge4_003741 Clc1ccc(Oc2ccccc2NS(=O)(=O)c3ccc(NC(=O)C4CC4)cc3)c(Cl)c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 K02 compound treatment 0.658 -0.124 -1.29 0.792 -0.0381 -0.41 -1.1982 -0.8872 3065367 Maybridge4_003742 CN(C)c1ccc(/C=N/N)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 K03 compound treatment 0.738 -0.0443 -0.46 0.873 0.0429 0.46 -4.0E-4 -6.0E-4 1560480 Maybridge4_003743 Cc1c(Cc2ccc(F)cc2)c(=O)oc3cc(O)ccc13 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 K04 compound treatment 1.037 0.255 2.64 1.107 0.277 2.96 3.957 0.9984 3179177 Maybridge4_003744 CC(C)(C)NC(=O)Nc1ccc(Cl)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 K05 compound treatment 1.144 0.362 3.75 1.054 0.224 2.39 4.3403 0.9765 1436913 Maybridge4_003745 COc1ccccc1NC(=S)NC(c2ccccc2)c3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 K06 compound treatment 0.692 -0.0903 -0.94 0.778 -0.0521 -0.56 -1.0549 -0.9691 1517059 Maybridge4_003746 CCOc1ccc(cc1)N2C(=O)c3ccccc3C2=O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 K07 compound treatment 0.347 -0.435 -4.51 0.471 -0.359 -3.84 -5.9007 -0.9968 3179178 Maybridge4_003747 C1CCCCCC(CCCCC1)/N=C/c2ccco2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 K08 compound treatment 1.299 0.517 5.35 1.318 0.488 5.21 7.4697 0.9999 1293740 Maybridge4_003748 Cc1cc(C)cc(NC(=S)NC2CCCCC2)c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 K09 compound treatment 0.043 -0.739 -7.66 0.044 -0.786 -8.4 -11.3527 -0.9989 1032487 Maybridge4_003749 CCN1CSC(=S)N(CC)C1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 K10 compound treatment 0.508 -0.274 -2.84 0.684 -0.146 -1.56 -3.1126 -0.9602 1046043 Maybridge4_003750 NC(=N)SCCN1C(=O)c2ccccc2C1=O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 K11 compound treatment 1.009 0.227 2.35 1.108 0.278 2.97 3.7595 0.9932 1157754 Maybridge4_003751 COc1ccc(CCNC(=S)N(C)C)cc1OC 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 K12 compound treatment 0.795 0.0127 0.13 0.888 0.0579 0.62 0.5304 0.8383 3179179 Maybridge4_003752 Cc1nc2ccccc2c(=O)n1/N=C/c3ccc(Cl)c(Cl)c3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 K13 compound treatment 0.622 -0.16 -1.66 0.754 -0.0761 -0.81 -1.7489 -0.9459 1244335 Maybridge4_003753 S=C(NCc1cccnc1)c2ccccc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 K14 compound treatment 0.721 -0.0613 -0.64 0.824 -0.00606 -0.06 -0.4951 -0.7752 3179180 Maybridge4_003754 O=C(NCCCN1CCOCC1)NCc2cccc3ccccc23 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 K15 compound treatment 0.839 0.0567 0.59 0.946 0.116 1.24 1.2907 0.9418 3065370 Maybridge4_003755 COc1cc(NC(=S)N)c(OC)cc1Cl 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 K16 compound treatment 0.855 0.0727 0.75 0.902 0.0719 0.77 1.0755 0.9999 3179181 Maybridge4_003756 FC(F)(F)c1cccc(NC(=O)N2CCOC32CCCCC3)c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 K17 compound treatment 0.149 -0.633 -6.56 0.236 -0.594 -6.35 -9.126 -0.9999 3065371 Maybridge4_003757 Cc1c(C)c(C)c(CNC(=S)NN)c(C)c1C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 K18 compound treatment 0.806 0.0237 0.25 0.922 0.0919 0.98 0.8678 0.8572 3179182 Maybridge4_003758 O=c1oc(nc2ccccc12)C3CC3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 K19 compound treatment 1.032 0.25 2.59 1.045 0.215 2.3 3.4521 0.9982 3179183 Maybridge4_003759 CC/C(=N\Cc1ccc(C#N)cc1)/c2ccccc2O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 K20 compound treatment 0.841 0.0587 0.61 0.884 0.0539 0.58 0.837 0.9997 1593893 Maybridge4_003760 NC(=O)C1C(C2CC1C=C2)C(=O)O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 K21 compound treatment 0.408 -0.374 -3.88 0.499 -0.331 -3.54 -5.2424 -0.9989 3179184 Maybridge4_003761 Fc1cccc(NC2=NCCS2)c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 K22 compound treatment 1.164 0.382 3.95 1.173 0.343 3.66 5.3857 0.9993 3065373 Maybridge4_003762 Clc1ccc(cc1)C(=O)OCCc2csc3ccccc23 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 K23 mock treatment 0.792 0.00966 0.1 0.795 -0.0351 -0.37 -0.1942 -0.5008 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 K24 mock treatment 0.835 0.0527 0.55 0.815 -0.0151 -0.16 0.2718 0.4781 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 L01 compound treatment 0.416 -0.366 -3.79 0.425 -0.405 -4.33 -5.7429 -0.9979 3179185 Maybridge4_003763 CN(C)/C=C/1\SC(=O)N(C1=O)c2ccccc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 L02 compound treatment 0.922 0.14 1.45 1.023 0.193 2.06 2.4803 0.985 1281043 Maybridge4_003764 CC(C)c1ccc(NC(=S)N2CCCC(=N2)c3ccc(F)cc3)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 L03 compound treatment 0.697 -0.0853 -0.88 0.762 -0.0681 -0.73 -1.1392 -0.9953 3065374 Maybridge4_003765 O=C/1N(C(=N\C1=C\c2ccccc2)c3ccccc3)c4ccccc4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 L04 compound treatment 0.134 -0.648 -6.71 0.183 -0.647 -6.91 -9.6362 -0.9999 3065375 Maybridge4_003766 OC(=O)c1cccnc1S 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 L05 compound treatment 0.058 -0.724 -7.5 0.288 -0.542 -5.79 -9.3996 -0.9918 3179186 Maybridge4_003767 FC(F)(F)c1ccc(C=C2C(=O)c3ccccc3C2=O)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 L06 compound treatment 0.777 -0.00534 -0.06 0.806 -0.0241 -0.26 -0.2209 -0.8401 1719441 Maybridge4_003768 Cc1ccc(NC(=O)c2ccc3ncsc3c2)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 L07 compound treatment 0.797 0.0147 0.15 0.88 0.0499 0.53 0.4846 0.8736 3179187 Maybridge4_003769 FC(F)(F)Oc1ccc(NC(=O)OCCc2csc3ccccc23)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 L08 compound treatment 0.075 -0.707 -7.33 0.13 -0.7 -7.48 -10.4687 -0.9999 3179188 Maybridge4_003770 C1COc2cc(ccc2O1)c3nc(cs3)c4ccccc4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 L09 compound treatment 0.75 -0.0323 -0.33 0.856 0.0259 0.28 -0.0409 -0.0942 3065376 Maybridge4_003771 Clc1ccc(cc1)c2nnc(c3ccccc3)c(=O)o2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 L10 compound treatment 0.825 0.0427 0.44 0.843 0.0129 0.14 0.4101 0.886 3179189 Maybridge4_003772 Cc1noc(c1NC(=O)N2CCN(CC2)C(c3ccccc3)c4ccccc4)c5ccccc5 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 L11 compound treatment 0.55 -0.232 -2.41 0.608 -0.222 -2.37 -3.3791 -1.0 3065377 Maybridge4_003773 CN1N=C(CC1c2ccc(F)cc2)c3ccc4ccccc4c3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 L12 compound treatment 1.152 0.37 3.83 1.193 0.363 3.88 5.4489 1.0 3179190 Maybridge4_003774 CC1(C)Cc2cccc(C(=O)Nc3cccc4CCCCc34)c2O1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 L13 compound treatment 0.762 -0.0203 -0.21 0.899 0.0689 0.74 0.3718 0.4853 3065378 Maybridge4_003775 Cc1ccc2n(CNc3ccc(OC(F)(F)F)cc3)nnc2c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 L14 compound treatment 0.598 -0.184 -1.91 0.716 -0.114 -1.22 -2.2117 -0.9765 3179191 Maybridge4_003776 O=S(=O)(N(Cc1ccccn1)Cc2ccccn2)c3ccc(s3)c4ccon4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 L15 compound treatment 1.026 0.244 2.52 1.084 0.254 2.71 3.7027 0.9993 3065424 Maybridge4_003777 CCOC(=O)C1(CCC#N)C(CC(=CC1=O)c2ccc(OC)cc2)c3ccc4ccccc4c3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 L16 compound treatment 0.678 -0.104 -1.08 0.803 -0.0271 -0.29 -0.9686 -0.8658 3065425 Maybridge4_003778 Clc1ccc(cc1)C(=O)NCc2ccc(s2)S(=O)(=O)NCCN3CCCC3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 L17 compound treatment 0.101 -0.681 -7.06 0.107 -0.723 -7.72 -10.452 -0.999 3065426 Maybridge4_003779 CN(C)/C=C/C(=S)c1cccs1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 L18 compound treatment 1.094 0.312 3.23 1.108 0.278 2.97 4.382 0.9991 3065427 Maybridge4_003780 CN1CCN(CC1)c2ccc(CNC(=O)c3cccnc3Oc4ccc(Cl)cc4)cc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 L19 compound treatment 0.064 -0.718 -7.44 0.068 -0.762 -8.14 -11.0176 -0.999 3065428 Maybridge4_003781 CSc1nnc(/N=C/c2c(O)ccc3ccccc23)s1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 L20 compound treatment 0.879 0.0967 1.0 0.885 0.0549 0.59 1.1229 0.9676 3065429 Maybridge4_003782 OC(CSc1nc(c2ccccc2)n(n1)c3ccccc3)C(F)(F)F 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 L21 compound treatment 0.657 -0.125 -1.3 0.717 -0.113 -1.21 -1.7721 -0.9994 3065430 Maybridge4_003783 Cc1ccc(Cl)cc1NC(=S)N(N)CCO 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 L22 compound treatment 0.776 -0.00634 -0.07 0.888 0.0579 0.62 0.3912 0.6285 3179192 Maybridge4_003784 FC(F)(F)c1c(cnn1c2ccccc2)C(=O)NC3CCCCNC3=O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 L23 mock treatment 0.761 -0.0213 -0.22 0.836 0.00594 0.06 -0.1115 -0.4846 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 L24 mock treatment 0.754 -0.0283 -0.29 0.817 -0.0131 -0.14 -0.3063 -0.9422 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 M01 compound treatment 1.002 0.22 2.27 1.105 0.275 2.94 3.6856 0.992 3065431 Maybridge4_003785 Clc1cccc(c1)n2c(SCC3CC3)nnc2C4CC4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 M02 compound treatment 0.76 -0.0223 -0.23 0.794 -0.0361 -0.39 -0.4361 -0.9703 3179193 Maybridge4_003786 CN(C)C(=S)NC(Cc1ccccc1)c2ccccc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 M03 compound treatment 0.885 0.103 1.06 0.821 -0.00906 -0.1 0.6833 0.6401 3179194 Maybridge4_003787 CCCc1nc(SCC(=O)c2ccccc2Cl)nc(O)c1C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 M04 compound treatment 0.84 0.0577 0.6 0.866 0.0359 0.38 0.6937 0.9772 3065433 Maybridge4_003788 CCc1ccc(NC(=O)NC(C)(C)C)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 M05 compound treatment 1.183 0.401 4.15 1.137 0.307 3.28 5.2529 0.9932 1572084 Maybridge4_003789 Cc1ccc(NC(=S)Nc2ccccc2C)c(C)c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 M06 compound treatment 0.764 -0.0183 -0.19 0.861 0.0309 0.33 0.0994 0.2607 1569198 Maybridge4_003790 O=C1N(Cc2ccncc2)C(=O)c3ccccc13 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 M07 compound treatment 0.737 -0.0453 -0.47 0.81 -0.0201 -0.21 -0.4836 -0.9369 3179195 Maybridge4_003791 C(/N=C/c1ccco1)C2CCC(C/N=C/c3ccco3)CC2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 M08 compound treatment 1.184 0.402 4.16 1.21 0.38 4.06 5.8117 0.9999 1300916 Maybridge4_003792 CCOc1ccc(NC(=S)NC(C)(C)CC)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 M09 compound treatment 0.043 -0.739 -7.66 0.042 -0.788 -8.42 -11.3678 -0.9989 1039987 Maybridge4_003793 CC(C)N1CSC(=S)N(C1)C(C)C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 M10 compound treatment 0.52 -0.262 -2.72 0.673 -0.157 -1.68 -3.1078 -0.9732 1339416 Maybridge4_003794 Cc1cc(ccc1Br)n2c(=O)c3ccccc3[nH]c2=S 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 M11 compound treatment 0.734 -0.0483 -0.5 0.808 -0.0221 -0.24 -0.5207 -0.9409 3179196 Maybridge4_003795 COc1ccc(CCN2C(=O)/C(=C/c3ccccc3Cl)/SC2=S)cc1OC 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 M12 compound treatment 0.522 -0.26 -2.7 0.616 -0.214 -2.29 -3.5237 -0.9966 3065435 Maybridge4_003796 CC(C)(C)c1ccc(cc1)C2=NC(C)(C)CO2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 M13 compound treatment 0.869 0.0867 0.9 0.917 0.0869 0.93 1.2914 0.9999 3179281 Maybridge4_003797 S=C(NCCc1ccccc1)c2ccccc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 M14 compound treatment 0.145 -0.637 -6.6 0.179 -0.651 -6.96 -9.5859 -0.9997 3179282 Maybridge4_003798 Cc1onc(c1C(=O)OC2=CC(=O)CC(C)(C)C2)c3c(Cl)cccc3Cl 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 M15 compound treatment 1.126 0.344 3.56 1.172 0.342 3.65 5.0999 0.9999 3065437 Maybridge4_003799 CC(C)c1ccc(NC(=S)NCc2ccc(C#N)cc2)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 M16 compound treatment 1.025 0.243 2.51 0.882 0.0519 0.55 2.1695 0.8429 3179283 Maybridge4_003800 COc1ccc(cc1)C(=O)N/C(=N/c2c(C)cccc2C)/SC 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 M17 compound treatment 0.849 0.0667 0.69 0.906 0.0759 0.81 1.0618 0.9968 3065438 Maybridge4_003801 CSc1cccc(NC(=O)N)c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 M18 compound treatment 0.672 -0.11 -1.14 0.78 -0.0501 -0.53 -1.1863 -0.9402 3065439 Maybridge4_003802 N/C(=C(\N=C\c1ccc(C#N)cc1)/C#N)/C#N 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 M19 compound treatment 1.01 0.228 2.36 1.027 0.197 2.1 3.155 0.9984 3179284 Maybridge4_003803 O=C1CSC(=S)N1/N=C/c2cccnc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 M20 compound treatment 0.846 0.0637 0.66 0.723 -0.107 -1.14 -0.3426 -0.2595 3179285 Maybridge4_003804 CCC(C)(CC(=O)O)CC(=O)Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 M21 compound treatment 0.841 0.0587 0.61 0.853 0.0229 0.25 0.6028 0.9203 3065440 Maybridge4_003805 Cc1ccc(cc1)C2=NN3C(C2)c4ccccc4C3=O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 M22 compound treatment 0.377 -0.405 -4.2 0.491 -0.339 -3.62 -5.5299 -0.9973 1441619 Maybridge4_003806 COc1ccc(CCN2C(SC(C)C2=O)c3cccnc3)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 M23 mock treatment 0.808 0.0257 0.27 0.814 -0.0161 -0.17 0.0666 0.2104 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 M24 mock treatment 0.819 0.0367 0.38 0.846 0.0159 0.17 0.3888 0.9345 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 N01 compound treatment 0.257 -0.525 -5.44 0.22 -0.61 -6.52 -8.4559 -0.996 3065441 Maybridge4_003807 S=C(N1CCSCC1)c2ccccc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 N02 compound treatment 0.061 -0.721 -7.47 0.069 -0.761 -8.13 -11.032 -0.9991 1195820 Maybridge4_003808 CC(C)c1ccc(cc1)C2C3CCc4ccccc4C3=NN2CCO 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 N03 compound treatment 0.061 -0.721 -7.47 0.041 -0.789 -8.43 -11.2435 -0.9982 3065442 Maybridge4_003809 FC(F)(F)c1cc(NC(C#N)c2ccccc2)cc(c1)C(F)(F)F 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 N04 compound treatment 1.049 0.267 2.76 1.04 0.21 2.24 3.5388 0.9947 1398220 Maybridge4_003810 OC(=O)C(C(=O)OCc1ccccc1)c2ccccc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 N05 compound treatment 0.816 0.0337 0.35 0.849 0.0189 0.2 0.3895 0.9665 3065443 Maybridge4_003811 CC1CC(=O)N(C1=O)c2ccc(OC(F)(F)F)cc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 N06 compound treatment 0.804 0.0217 0.22 0.826 -0.00406 -0.04 0.1279 0.5599 1541655 Maybridge4_003812 COc1ccc(NC(=O)c2ccc3ncsc3c2)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 N07 compound treatment 0.782 -3.44E-4 0.0 0.923 0.0929 0.99 0.6996 0.7046 3065444 Maybridge4_003813 Oc1ccccc1/C=N/c2ccc(OC(F)(F)F)cc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 N08 compound treatment 1.193 0.411 4.25 1.19 0.36 3.85 5.7265 0.9987 3179286 Maybridge4_003814 CCOC(=O)c1ccc(cc1)n2c(=S)[nH]c3ccccc23 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 N09 compound treatment 0.626 -0.156 -1.62 0.756 -0.0741 -0.79 -1.7045 -0.9458 3065445 Maybridge4_003815 CC(C)c1ccc2[n+](C)cccc2c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 N10 compound treatment 0.687 -0.0953 -0.99 0.824 -0.00606 -0.06 -0.7441 -0.7519 3064681 Maybridge4_003816 Cc1noc(c1NC(=O)N2CCOCC2)c3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 N11 compound treatment 0.604 -0.178 -1.85 0.63 -0.2 -2.14 -2.8174 -0.9974 1587431 Maybridge4_003817 COc1ccc(cc1)C2CC(=NN2C)c3ccc4ccccc4c3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 N12 compound treatment 1.064 0.282 2.92 1.112 0.282 3.01 4.1925 0.9999 3064636 Maybridge4_003818 Fc1cc(C(=O)NCc2nc3ccccc3s2)c4OCOCc4c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 N13 compound treatment 0.702 -0.0803 -0.83 0.85 0.0199 0.21 -0.4378 -0.5097 3064637 Maybridge4_003819 OC(=O)/C=C/C(=O)Nc1ccccc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 N14 compound treatment 1.074 0.292 3.02 1.088 0.258 2.76 4.0845 0.9989 3064638 Maybridge4_003820 O=C(N(Cc1ccccn1)Cc2ccccn2)c3ccc4nsnc4c3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 N15 compound treatment 0.914 0.132 1.36 0.952 0.122 1.3 1.8853 0.9997 1376553 Maybridge4_003821 CN1N=C2C(CCCc3ccccc23)C1c4cccs4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 N16 compound treatment 1.106 0.324 3.35 1.156 0.326 3.48 4.8325 0.9998 3064639 Maybridge4_003822 Cc1cc(CNC(=O)c2cnc3ccccc3n2)c(o1)C(F)(F)F 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 N17 compound treatment 0.969 0.187 1.93 1.065 0.235 2.51 3.1418 0.9917 3064640 Maybridge4_003823 COc1ccccc1CNC(=S)N(C)C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 N18 compound treatment 0.568 -0.214 -2.22 0.676 -0.154 -1.65 -2.7336 -0.9892 3179287 Maybridge4_003824 CN1CCN(CC1)c2ccc(CNC(=O)c3cnn(c3C)c4ccc(Cl)cc4)cc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 N19 compound treatment 1.17 0.388 4.01 1.099 0.269 2.87 4.8706 0.9865 1418353 Maybridge4_003825 CC1=NN(C(=O)C1=C2SCCCS2)c3ccc(C)cc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 N20 compound treatment 0.94 0.158 1.63 1.017 0.187 2.0 2.5668 0.995 3064641 Maybridge4_003826 OC(CSc1nccc(n1)c2ccc3OCCOc3c2)C(F)(F)F 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 N21 compound treatment 0.652 -0.13 -1.35 0.793 -0.0371 -0.4 -1.2346 -0.8775 3179288 Maybridge4_003827 COc1ccc(/N=C\2/SCC(=NN2CCO)c3ccc(C)cc3)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 N22 compound treatment 0.78 -0.00234 -0.02 0.868 0.0379 0.41 0.2694 0.6636 3179289 Maybridge4_003828 CC(C)(Oc1ccc(Cl)cc1)C(=O)NC2CCCCNC2=O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 N23 mock treatment 0.791 0.00866 0.09 0.851 0.0209 0.22 0.2216 0.9194 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 N24 mock treatment 0.741 -0.0413 -0.43 0.778 -0.0521 -0.56 -0.6961 -0.9917 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 O01 compound treatment 0.058 -0.724 -7.5 0.055 -0.775 -8.28 -11.1598 -0.9988 3064642 Maybridge4_003829 Fc1ccc(NC2=NCCCC(=O)S2)cc1Cl 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 O02 compound treatment 0.043 -0.739 -7.66 0.041 -0.789 -8.43 -11.3754 -0.9988 3179290 Maybridge4_003830 Cc1cc(/N=C/c2cc(Cl)cc(Cl)c2O)no1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 O03 compound treatment 0.055 -0.727 -7.53 0.053 -0.777 -8.3 -11.1968 -0.9988 1155572 Maybridge4_003831 CC(C)(C)C(=O)COC(=O)Cn1nnc(n1)N2CCCC2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 O04 compound treatment 0.63 -0.152 -1.58 0.601 -0.229 -2.45 -2.8461 -0.9775 3179291 Maybridge4_003832 CC(C)(C)NC(=O)Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 O05 compound treatment 0.165 -0.617 -6.39 0.097 -0.733 -7.83 -10.0589 -0.9949 1006391 Maybridge4_003833 Cc1ccc(NC(=S)Nc2ccc(C)cc2)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 O06 compound treatment 0.071 -0.711 -7.37 0.088 -0.742 -7.93 -10.8153 -0.9993 3179292 Maybridge4_003834 COc1cccc(/C=N\c2ccccc2N3C(=O)c4ccccc4C3=O)c1O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 O07 compound treatment 1.095 0.313 3.24 1.072 0.242 2.58 4.1174 0.9938 1631575 Maybridge4_003835 CCOc1ccc(NC(=S)NC(Cc2ccccc2)c3ccccc3)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 O08 compound treatment 1.072 0.29 3.0 1.096 0.266 2.84 4.1303 0.9996 3179293 Maybridge4_003836 CCOC(=O)c1ccc(NC(=S)NC(C)c2ccc3OCCOc3c2)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 O09 compound treatment 0.357 -0.425 -4.41 0.509 -0.321 -3.43 -5.5404 -0.9923 1028763 Maybridge4_003837 OC(=O)CSC(=S)c1ccccc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 O10 compound treatment 0.68 -0.102 -1.06 0.828 -0.00206 -0.02 -0.7651 -0.7216 3179294 Maybridge4_003838 N/C(=N\O)/c1c(cc([nH]c1=O)c2ccc(F)cc2)c3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 O11 compound treatment 1.125 0.343 3.55 1.135 0.305 3.26 4.813 0.9991 1080231 Maybridge4_003839 COc1ccc(cc1)C(CC(=O)c2ccccc2)Sc3ccccc3N 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 O12 compound treatment 0.818 0.0357 0.37 0.857 0.0269 0.29 0.4646 0.9924 1192868 Maybridge4_003840 CC(C)c1ccc(cc1)N2C(=O)SC(C2=O)c3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 O13 compound treatment 0.751 -0.0313 -0.32 0.838 0.00794 0.08 -0.1696 -0.5054 3179295 Maybridge4_003841 CN(C)C(=O)Nc1ccccc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 O14 compound treatment 0.041 -0.741 -7.68 0.042 -0.788 -8.42 -11.3825 -0.9989 3179296 Maybridge4_003842 CC(C)(C)c1ccc(cc1)C(=O)OC2=CC(=O)CC(C)(C)C2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 O15 compound treatment 1.004 0.222 2.3 1.113 0.283 3.02 3.7607 0.9908 3064643 Maybridge4_003843 C/C(=N\Cc1ccc(Cl)c(Cl)c1)/c2ccccc2O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 O16 compound treatment 0.32 -0.462 -4.79 0.389 -0.441 -4.71 -6.7179 -1.0 3179297 Maybridge4_003844 CC(C)(C)NC(=S)N1CCSCC1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 O17 compound treatment 1.178 0.396 4.1 1.148 0.318 3.4 5.2994 0.9957 3064645 Maybridge4_003845 CSc1cccc(NC(=S)Nc2cccc(SC)c2)c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 O18 compound treatment 0.838 0.0557 0.58 0.937 0.107 1.14 1.2154 0.9498 3179298 Maybridge4_003846 CN(C)/C=C/1\N=C(NC1=O)SCc2c(Cl)cccc2Cl 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 O19 compound treatment 1.154 0.372 3.85 1.078 0.248 2.65 4.5948 0.9834 3179299 Maybridge4_003847 CCO/C=C/1\SC(=S)N(/N=C/c2cccc(Cl)c2)C1=O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 O20 compound treatment 1.241 0.459 4.75 1.195 0.365 3.9 6.1158 0.9952 3064646 Maybridge4_003848 Cc1ccc(cc1)C(=O)CC(Sc2ccccc2N)c3ccsc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 O21 compound treatment 0.929 0.147 1.52 1.004 0.174 1.86 2.388 0.995 3179300 Maybridge4_003849 Clc1ccc(Cl)c(c1)C2=NN3C(C2)c4ccccc4C3=O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 O22 compound treatment 1.116 0.334 3.46 1.182 0.352 3.76 5.1022 0.9991 3064648 Maybridge4_003850 Cc1oc2ccccc2c1CCOC(=O)c3ccc(Cl)cc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 O23 mock treatment 0.719 -0.0633 -0.66 0.763 -0.0671 -0.72 -0.9705 -0.999 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 O24 mock treatment 0.775 -0.00734 -0.08 0.782 -0.0481 -0.51 -0.4169 -0.8031 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 P01 compound treatment 0.045 -0.737 -7.64 0.051 -0.779 -8.32 -11.2852 -0.9991 3179301 Maybridge4_003851 CC/1=NN(C(=O)\C1=N\O)c2cccc(Cl)c2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 P02 compound treatment 0.161 -0.621 -6.44 0.119 -0.711 -7.6 -9.922 -0.9966 1673238 Maybridge4_003852 Fc1ccc2C3Sc4ccccc4C(=O)C3=C(c2c1)c5ccccc5 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 P03 compound treatment 0.258 -0.524 -5.43 0.288 -0.542 -5.79 -7.9349 -0.9995 3179302 Maybridge4_003853 Cn1nc(sc1=S)c2ccccn2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 P04 compound treatment 0.759 -0.0233 -0.24 0.741 -0.0891 -0.95 -0.8438 -0.8595 3179303 Maybridge4_003854 Sc1nc(c(o1)c2ccccc2)c3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 P05 compound treatment 0.042 -0.74 -7.67 0.044 -0.786 -8.4 -11.36 -0.999 3064649 Maybridge4_003855 CC1=CC(=O)N(C1=O)c2ccc(OC(F)(F)F)cc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 P06 compound treatment 0.485 -0.297 -3.08 0.646 -0.184 -1.97 -3.5681 -0.9765 3179304 Maybridge4_003856 FC(F)(F)C1=NCCN(C=C1)C(=O)Nc2ccc3OCCOc3c2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 P07 compound treatment 0.594 -0.188 -1.95 0.696 -0.134 -1.43 -2.3921 -0.9885 3064650 Maybridge4_003857 FC(F)(F)Oc1ccc(Nc2n[nH]c(=S)s2)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 P08 compound treatment 0.056 -0.726 -7.52 0.049 -0.781 -8.34 -11.2197 -0.9987 3179305 Maybridge4_003858 Clc1ccc(NC(=S)N/2CCN\C2=N/c3ccc(Cl)cc3)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 P09 compound treatment 0.287 -0.495 -5.13 0.332 -0.498 -5.32 -7.3901 -0.9998 1422913 Maybridge4_003859 COc1ccc2cc(ccc2c1)C(C)C(=O)Nc3cc(Cl)cc(Cl)c3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 P10 compound treatment 0.73 -0.0523 -0.54 0.799 -0.0311 -0.33 -0.618 -0.9723 3064682 Maybridge4_003860 OC(=O)CC1(CC(=O)Nc2cc3ccccc3cn2)CCCCC1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 P11 compound treatment 0.84 0.0577 0.6 0.977 0.147 1.57 1.5322 0.9123 1218065 Maybridge4_003861 Cc1ccc(cc1)n2c(SCC(=O)C(C)(C)C)nc3ccccc3c2=O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 P12 compound treatment 1.255 0.473 4.9 1.275 0.445 4.75 6.8227 0.9999 3064683 Maybridge4_003862 Fc1cc(C(=O)NCc2csc(n2)c3cccs3)c4OCOCc4c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 P13 compound treatment 0.267 -0.515 -5.34 0.347 -0.483 -5.16 -7.4233 -0.9999 3064684 Maybridge4_003863 Fc1ccc(CNC2=NCCS2)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 P14 compound treatment 0.617 -0.165 -1.71 0.762 -0.0681 -0.73 -1.7251 -0.9272 3064685 Maybridge4_003864 O=C(N(Cc1ccccn1)Cc2ccccn2)c3ncoc3c4ccccc4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 P15 compound treatment 0.955 0.173 1.79 1.026 0.196 2.09 2.7446 0.9969 3064686 Maybridge4_003865 CC(C)(C)c1ccc(cc1)c2nc(O)nn2c3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 P16 compound treatment 1.047 0.265 2.74 1.075 0.245 2.62 3.7885 0.9997 3179306 Maybridge4_003866 Fc1cc(CNC(=O)c2cnc3ccccc3n2)c4OCOCc4c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 P17 compound treatment 1.023 0.241 2.49 1.117 0.287 3.07 3.93 0.9947 3064687 Maybridge4_003867 COc1ccccc1Cn2nn[nH]c2=S 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 P18 compound treatment 0.476 -0.306 -3.17 0.555 -0.275 -2.94 -4.3214 -0.9993 3179307 Maybridge4_003868 CN1CCN(CC1)c2ccc(CNC(=O)c3ccc4nsnc4c3)cc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 P19 compound treatment 0.098 -0.684 -7.09 0.069 -0.761 -8.13 -10.761 -0.9977 1399162 Maybridge4_003869 OCCN1N=C2C(CCc3ccccc23)C1c4ccccc4Cl 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 P20 compound treatment 1.184 0.402 4.16 1.164 0.334 3.57 5.4642 0.9971 3179308 Maybridge4_003870 Cc1csc2c(SCC(O)C(F)(F)F)ncnc12 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 P21 compound treatment 0.181 -0.601 -6.23 0.177 -0.653 -6.98 -9.3373 -0.9984 3064689 Maybridge4_003871 NN(CCO)C(=S)NCc1ccc(Cl)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 P22 compound treatment 0.829 0.0467 0.48 0.987 0.157 1.68 1.5272 0.8753 3179398 Maybridge4_003872 O=C(Cc1cccc2ccccc12)NC3CCCCNC3=O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 P23 mock treatment 0.736 -0.0463 -0.48 0.831 9.37E-4 0.01 -0.3323 -0.6922 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2059 P24 mock treatment 0.733 -0.0493 -0.51 0.766 -0.0641 -0.68 -0.8453 -0.9897 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 A01 compound treatment 0.879 0.0358 0.37 0.847 0.124 1.32 1.1983 0.8717 3179399 Maybridge4_003873 Cn1nc(cc1C(=O)NC2CCCCNC2=O)C(C)(C)C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 A02 compound treatment 0.105 -0.738 -7.65 0.109 -0.614 -6.56 -10.0451 -0.9971 1395167 Maybridge4_003874 CCCC1N(CCc2sccc12)C(=S)Nc3ccc(Cl)cc3Cl 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 A03 compound treatment 1.229 0.386 4.0 1.253 0.53 5.66 6.8285 0.9855 3179400 Maybridge4_003875 COc1cc2CCN(Cc2cc1OC)S(=O)(=O)c3ccc4OCCCOc4c3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 A04 compound treatment 0.364 -0.479 -4.96 0.258 -0.465 -4.97 -7.0228 -1.0 1342707 Maybridge4_003876 CC(C)(C)C1=NN(C(=O)C1)c2nc3ccc(Cl)cc3s2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 A05 compound treatment 1.025 0.182 1.88 0.852 0.129 1.38 2.3053 0.9882 3179401 Maybridge4_003877 O=C(NCc1csc(n1)c2cccs2)c3ccno3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 A06 compound treatment 0.954 0.111 1.15 0.842 0.119 1.27 1.7098 0.9987 1644100 Maybridge4_003878 COc1ccc(OC(=O)c2cnc3SCCn3c2=O)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 A07 compound treatment 0.864 0.0208 0.22 0.831 0.108 1.15 0.9676 0.825 3179402 Maybridge4_003879 O=C(NC1CCCCNC1=O)c2ccc(nc2)N3CCOCC3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 A08 compound treatment 0.852 0.00881 0.09 0.787 0.0639 0.68 0.5473 0.7946 3179403 Maybridge4_003880 CC(C)(C)S(=O)(=O)/C(=C/c1sccc1C2OCCO2)/C#N 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 A09 compound treatment 1.218 0.375 3.88 1.226 0.503 5.37 6.544 0.9873 3064691 Maybridge4_003881 O=S(=O)(NCc1ccc(cc1)c2cccs2)c3cccs3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 A10 compound treatment 0.784 -0.0592 -0.61 0.725 0.00191 0.02 -0.4191 -0.6832 3179404 Maybridge4_003882 Clc1ccc(cc1)C(=O)n2cc3CSc4ccc(Cl)cc4-c3n2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 A11 compound treatment 1.022 0.179 1.85 0.892 0.169 1.8 2.5855 0.9999 3064692 Maybridge4_003883 Cc1nn(nc1CNC(=O)CC(C)(C)C)c2ccccc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 A12 compound treatment 0.896 0.0528 0.55 0.768 0.0449 0.48 0.726 0.9979 3179405 Maybridge4_003884 CCOC(=O)Cn1c2CCCC(=O)c2c(cc1=O)C(F)(F)F 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 A13 compound treatment 0.84 -0.00319 -0.03 0.799 0.0759 0.81 0.5501 0.6778 3064694 Maybridge4_003885 Cc1noc(C)c1NC(=O)NC2CCCCNC2=O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 A14 compound treatment 0.993 0.15 1.55 0.918 0.195 2.08 2.5695 0.9895 3179406 Maybridge4_003886 CN(C)/C(=N/C(=S)c1ccc(Cl)cc1)/C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 A15 compound treatment 1.104 0.261 2.7 1.074 0.351 3.75 4.5609 0.9871 3064695 Maybridge4_003887 Cc1cc(SCc2ncon2)c(Cl)cc1Cl 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 A16 compound treatment 0.921 0.0778 0.81 0.812 0.0889 0.95 1.2415 0.9967 3179407 Maybridge4_003888 COC(=O)c1c(C)nc(C)c(C(=O)OC)c1c2csc(c2)S(=O)(=O)/N=C/N(C)C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 A17 compound treatment 1.359 0.516 5.34 1.385 0.662 7.07 8.7778 0.9904 3064696 Maybridge4_003889 CSc1nc(/N=C/N(C)C)n(n1)c2ccccc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 A18 compound treatment 1.138 0.295 3.05 1.057 0.334 3.57 4.6815 0.997 3179408 Maybridge4_003890 Cc1c2C(=O)/C(=C/c3ccccc3)/Cn2c4ccccc14 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 A19 compound treatment 1.167 0.324 3.35 1.039 0.316 3.37 4.7579 1.0 3179409 Maybridge4_003891 FC(F)(F)c1ccccc1NC(=S)Nc2ccc(cc2)c3csnn3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 A20 compound treatment 0.882 0.0388 0.4 0.879 0.156 1.67 1.462 0.8533 3064697 Maybridge4_003892 FC(F)(F)C1N(CCc2c1[nH]c3ccccc23)C(=O)Nc4ccccc4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 A21 compound treatment 0.962 0.119 1.23 0.897 0.174 1.86 2.1839 0.98 1223239 Maybridge4_003893 Clc1ccc(cc1)C2N(CCc3sccc23)C(=O)c4ccc(Cl)cc4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 A22 compound treatment 0.983 0.14 1.45 0.896 0.173 1.85 2.3301 0.9927 1594618 Maybridge4_003894 Cc1oc2c(F)c(F)c(F)c(F)c2c1c3noc(n3)C(C)(C)C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 A23 mock treatment 0.817 -0.0262 -0.27 0.722 -0.00109 -0.01 -0.2 -0.7369 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 A24 mock treatment 0.924 0.0808 0.84 0.784 0.0609 0.65 1.0519 0.9922 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 B01 compound treatment 0.1 -0.743 -7.7 0.097 -0.626 -6.69 -10.1724 -0.9976 3179410 Maybridge4_003895 O=C(/C=C/c1ccc(s1)c2cccs2)N3CCSCC3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 B02 compound treatment 1.063 0.22 2.28 1.008 0.285 3.04 3.762 0.9898 3064698 Maybridge4_003896 FC(F)(F)c1oc(cc1C(=O)NCc2ccco2)c3ccc(Cl)cc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 B03 compound treatment 0.041 -0.802 -8.31 0.044 -0.679 -7.25 -11.0049 -0.9977 1349711 Maybridge4_003897 CSc1c([nH]c2ccccc12)c3ccc(Cl)cc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 B04 compound treatment 1.024 0.181 1.87 0.863 0.14 1.49 2.3811 0.9938 3179411 Maybridge4_003898 Cc1nc(sc1c2ccnn2C(=O)C(C)(C)C)c3ccc(s3)c4cccs4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 B05 compound treatment 1.176 0.333 3.45 1.092 0.369 3.94 5.2242 0.9978 3064699 Maybridge4_003899 CCOC(=O)c1c(CS(=O)c2ccc(Cl)cc2)oc3c(F)c(F)c(F)c(F)c13 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 B06 compound treatment 1.197 0.354 3.66 1.145 0.422 4.51 5.7783 0.9947 3179412 Maybridge4_003900 C/C(=N\O)/C(=O)c1ccc(cc1)c2ccccc2F 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 B07 compound treatment 1.063 0.22 2.28 0.957 0.234 2.5 3.3768 0.9989 3179413 Maybridge4_003901 CC1(C)COC(=N1)c2sccc2C(=O)N(C3CCCCC3)C(=O)NC4CCCCC4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 B08 compound treatment 0.044 -0.799 -8.28 0.044 -0.679 -7.25 -10.9829 -0.9978 3064701 Maybridge4_003902 Nc1ccccc1SCc2cccc(Cl)c2F 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 B09 compound treatment 0.933 0.0898 0.93 0.819 0.0959 1.02 1.3822 0.9988 1459519 Maybridge4_003903 NC(=S)c1cnc(nc1N)c2ccncc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 B10 compound treatment 1.168 0.325 3.36 1.041 0.318 3.4 4.7803 1.0 1481845 Maybridge4_003904 CCCNC(=S)N1CCC(CC1)C(=O)c2ccc(C)cc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 B11 compound treatment 1.117 0.274 2.84 1.072 0.349 3.73 4.641 0.9909 3064731 Maybridge4_003905 NC(=S)c1ncc(cc1N2CCCC2)C(F)(F)F 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 B12 compound treatment 1.058 0.215 2.22 0.879 0.156 1.67 2.7509 0.9898 3064732 Maybridge4_003906 Cc1noc(C)c1c2nc(no2)c3cccc(c3)C(F)(F)F 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 B13 compound treatment 1.418 0.575 5.95 1.392 0.669 7.15 9.2627 0.9959 3064733 Maybridge4_003907 COc1cc(NC(=O)C(C)(C)C)ccc1Br 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 B14 compound treatment 0.89 0.0468 0.48 0.791 0.0679 0.73 0.8558 0.9808 3064734 Maybridge4_003908 FC(F)(F)c1ccc(nc1)N2CCN(CC2)c3ccc(NC(=O)c4ccco4)cn3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 B15 compound treatment 1.262 0.419 4.34 1.211 0.488 5.21 6.7529 0.9958 3064735 Maybridge4_003909 CN(N1C(=O)c2ccccc2C1=O)c3cc(ccn3)C(F)(F)F 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 B16 compound treatment 0.99 0.147 1.52 0.875 0.152 1.62 2.2227 0.9995 1391890 Maybridge4_003910 CC(C)(C)c1cc(n(n1)c2ccc(NC(=O)COCC(=O)O)cc2)C(C)(C)C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 B17 compound treatment 0.083 -0.76 -7.87 0.071 -0.652 -6.97 -10.4933 -0.9981 3179414 Maybridge4_003911 Cc1cc(C)n(n1)c2ccc(cc2)n3cccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 B18 compound treatment 0.976 0.133 1.38 0.875 0.152 1.62 2.1202 0.9966 1368065 Maybridge4_003912 CC(C)Cc1ccc(cc1)C(C)c2nc(no2)c3ccc(C)cc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 B19 compound treatment 1.124 0.281 2.91 1.107 0.384 4.1 4.9567 0.9858 1510531 Maybridge4_003913 COc1cc(cc(OC)c1OC)C(=O)NCC(c2c[nH]c3ccccc23)c4ccccc4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 B20 compound treatment 0.994 0.151 1.56 0.919 0.196 2.09 2.5844 0.9896 1512133 Maybridge4_003914 COc1ccc(cc1)C2N(CCc3sccc23)C(=O)NC(C)(C)C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 B21 compound treatment 0.569 -0.274 -2.84 0.535 -0.188 -2.01 -3.4289 -0.9857 3064736 Maybridge4_003915 Cc1snnc1C(=O)Oc2ccccc2c3nnco3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 B22 compound treatment 0.939 0.0958 0.99 0.821 0.0979 1.05 1.4413 0.9997 3179415 Maybridge4_003916 CC(C)(C)c1cc(n(n1)c2ccc(/N=C\c3ccccc3O)cc2)C(C)(C)C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 B23 mock treatment 0.896 0.0528 0.55 0.793 0.0699 0.75 0.9149 0.9883 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 B24 mock treatment 0.894 0.0508 0.53 0.736 0.0129 0.14 0.4696 0.8632 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 C01 compound treatment 1.38 0.537 5.56 1.39 0.667 7.12 8.9693 0.9925 3064737 Maybridge4_003917 Clc1ccc(Oc2ncccc2C(=O)NC3CCCCNC3=O)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 C02 compound treatment 0.989 0.146 1.51 0.897 0.174 1.86 2.3816 0.9947 1245123 Maybridge4_003918 O=C(NCc1ccco1)NC(=O)c2ccc(cc2)c3csnn3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 C03 compound treatment 1.046 0.203 2.1 0.993 0.27 2.88 3.5242 0.9879 3064739 Maybridge4_003919 COc1cc2CCN(Cc2cc1OC)S(=O)(=O)c3c(C)nn(C)c3C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 C04 compound treatment 1.178 0.335 3.47 1.155 0.432 4.61 5.7147 0.9901 3179416 Maybridge4_003920 CC(C)(C)c1csc(Cc2ccc(cc2)c3csnn3)n1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 C05 compound treatment 1.043 0.2 2.07 0.859 0.136 1.45 2.49 0.985 3179417 Maybridge4_003921 Cc1oc(cc1C(=O)NCc2csc(n2)c3cccs3)C(C)(C)C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 C06 compound treatment 0.945 0.102 1.05 0.832 0.109 1.16 1.5683 0.9988 1605864 Maybridge4_003922 OC(=O)CCCc1nc(no1)c2cnc3SCCn3c2=O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 C07 compound treatment 0.902 0.0588 0.61 0.817 0.0939 1.0 1.1401 0.9714 3179418 Maybridge4_003923 O=C(NCC1CN(Cc2ccccc2)CCO1)c3ccc(nc3)N4CCOCC4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 C08 compound treatment 1.081 0.238 2.46 0.982 0.259 2.77 3.6975 0.9983 3064740 Maybridge4_003924 COC(=O)c1cc2CSc3ccc(Cl)cc3-c2s1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 C09 compound treatment 0.996 0.153 1.58 0.894 0.171 1.83 2.4102 0.9975 3179419 Maybridge4_003925 O=C(NCc1ccc(cc1)c2cccs2)C3=Cc4ccccc4OC3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 C10 compound treatment 1.355 0.512 5.3 1.358 0.635 6.78 8.5445 0.9926 3064741 Maybridge4_003926 CC(C)(C)C(=O)n1cc2CSc3ccc(Cl)cc3-c2n1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 C11 compound treatment 0.73 -0.113 -1.17 0.608 -0.115 -1.23 -1.6984 -0.9997 3179420 Maybridge4_003927 COCC(=O)NCc1nn(nc1C)c2ccccc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 C12 compound treatment 0.912 0.0688 0.71 0.794 0.0709 0.76 1.0396 0.9995 3064742 Maybridge4_003928 COC(=O)c1sccc1c2ccc(o2)c3ccn(n3)C(=O)c4ccc(Cl)cc4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 C13 compound treatment 0.889 0.0458 0.47 0.766 0.0429 0.46 0.6596 0.9999 3179421 Maybridge4_003929 Cc1cc(CNC(=O)Nc2c(C)noc2C)c(o1)C(F)(F)F 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 C14 compound treatment 1.124 0.281 2.91 1.01 0.287 3.07 4.2239 0.9997 3064743 Maybridge4_003930 Clc1ccc(NC(=O)/C(=C\c2cccs2)/c3ccsc3)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 C15 compound treatment 0.837 -0.00619 -0.06 0.775 0.0519 0.55 0.3468 0.6213 3179422 Maybridge4_003931 CN(C)C(=O)Oc1cccc(N)c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 C16 compound treatment 0.787 -0.0562 -0.58 0.686 -0.0371 -0.4 -0.6917 -0.9825 3179423 Maybridge4_003932 FC(F)(F)Oc1ccccc1/C=N/c2ccc(Cl)cc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 C17 compound treatment 1.068 0.225 2.33 0.958 0.235 2.51 3.421 0.9993 1299325 Maybridge4_003933 CC(C)N(C(C)C)C(=O)NC(=O)c1csnn1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 C18 compound treatment 0.908 0.0648 0.67 0.755 0.0319 0.34 0.7157 0.9506 3179518 Maybridge4_003934 FC(F)(F)C1NCCc2c1[nH]c3ccccc23 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 C19 compound treatment 1.14 0.297 3.07 0.944 0.221 2.36 3.8425 0.9915 1154654 Maybridge4_003935 Cc1noc(C)c1c2nc(CSc3ccccc3)no2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 C20 compound treatment 0.943 0.0998 1.03 0.837 0.114 1.22 1.5915 0.9967 3179519 Maybridge4_003936 O=C(NCc1ccc(s1)c2cccs2)NC(=O)c3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 C21 compound treatment 0.948 0.105 1.09 0.858 0.135 1.44 1.7867 0.9902 1179307 Maybridge4_003937 CC(C)NC(=O)N1CCc2sccc2C1c3ccc(Cl)cc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 C22 compound treatment 0.534 -0.309 -3.2 0.411 -0.312 -3.33 -4.622 -0.9998 3064744 Maybridge4_003938 CC(C)(C)c1nc(no1)c2ccc(s2)c3ccon3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 C23 mock treatment 0.803 -0.0402 -0.42 0.606 -0.117 -1.25 -1.1789 -0.8942 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 C24 mock treatment 0.888 0.0448 0.46 0.743 0.0199 0.21 0.4786 0.9374 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 D01 compound treatment 1.05 0.207 2.14 0.936 0.213 2.27 3.1229 0.9995 3179520 Maybridge4_003939 CC(C)(C)c1ccc(NC(=O)/C=C/c2ccc(s2)c3cccs3)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 D02 compound treatment 0.966 0.123 1.27 0.865 0.142 1.52 1.9714 0.9962 3064745 Maybridge4_003940 COc1cccc(/C=N/c2c(c(nn2C)C(F)(F)F)c3ccccc3)c1OC 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 D03 compound treatment 1.042 0.199 2.06 0.939 0.216 2.31 3.087 0.9984 1138512 Maybridge4_003941 COc1ccc(cc1)S(=O)(=O)CC(C)(O)CS(=O)(=O)c2ccc(OC)cc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 D04 compound treatment 1.055 0.212 2.19 0.948 0.225 2.4 3.2502 0.999 3064746 Maybridge4_003942 FC(F)(F)c1ccc(/C=N/c2cc(Cl)cc(Cl)c2)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 D05 compound treatment 1.003 0.16 1.66 0.832 0.109 1.16 1.9931 0.9851 3179521 Maybridge4_003943 Cc1noc(C)c1c2nc(COc3ccc(/C=C(/C#N)\S(=O)(=O)C)cc3)no2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 D06 compound treatment 1.107 0.264 2.73 0.999 0.276 2.95 4.0163 0.9993 3064747 Maybridge4_003944 CCc1sc(nc1C(=O)OC)c2ccc(Cl)cc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 D07 compound treatment 1.09 0.247 2.56 0.975 0.252 2.69 3.7105 0.9997 3064748 Maybridge4_003945 Cc1ccsc1C(=S)N 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 D08 compound treatment 0.895 0.0518 0.54 0.793 0.0699 0.75 0.9075 0.9869 3179522 Maybridge4_003946 FC(F)(F)c1cc(Oc2ccc(cc2)n3cccc3)cc(c1)C(F)(F)F 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 D09 compound treatment 0.992 0.149 1.54 0.903 0.18 1.92 2.4489 0.994 3064749 Maybridge4_003947 CSc1ccc(s1)C(=O)NC(=O)Nc2cc(C)on2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 D10 compound treatment 0.968 0.125 1.29 0.848 0.125 1.33 1.8576 0.9999 3179523 Maybridge4_003948 CS/C(=N\C#N)/N1CCC(CC1)C(=O)c2ccccc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 D11 compound treatment 1.175 0.332 3.44 1.078 0.355 3.79 5.1111 0.9988 1573241 Maybridge4_003949 Cc1noc(C)c1C(=O)Oc2ccc(cc2)c3nn[nH]c3C#N 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 D12 compound treatment 0.987 0.144 1.49 0.831 0.108 1.15 1.8684 0.992 3064792 Maybridge4_003950 CC(C)(C)NC(=O)N1CCN(CC1)c2ncccc2C(F)(F)F 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 D13 compound treatment 1.25 0.407 4.21 1.229 0.506 5.4 6.801 0.9924 3064793 Maybridge4_003951 CCOC(=O)c1cc(CSc2ccc(Cl)cc2)c3OCOCc3c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 D14 compound treatment 1.18 0.337 3.49 1.117 0.394 4.21 5.4423 0.9957 3064794 Maybridge4_003952 COc1ccccc1N2CCN(CC2)C(=S)c3ccccc3OC(F)(F)F 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 D15 compound treatment 0.937 0.0938 0.97 0.849 0.126 1.35 1.6382 0.9873 3064795 Maybridge4_003953 CN(N1C(=O)CSCC1=O)c2cc(ccn2)C(F)(F)F 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 D16 compound treatment 0.661 -0.182 -1.89 0.579 -0.144 -1.54 -2.4228 -0.9949 3064796 Maybridge4_003954 N/C(=N\O)/c1ccc(nc1)N2CCN(CC2)c3ncccc3C(F)(F)F 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 D17 compound treatment 0.394 -0.449 -4.65 0.321 -0.402 -4.3 -6.3271 -0.9992 3064797 Maybridge4_003955 Cc1nn(c(C)c1C(=O)Oc2ccccc2)c3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 D18 compound treatment 0.907 0.0638 0.66 0.827 0.104 1.11 1.2523 0.9693 3064798 Maybridge4_003956 FC(F)(F)c1cc(cc(c1)C(F)(F)F)C(=O)Oc2cccc3cccnc23 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 D19 compound treatment 1.219 0.376 3.89 1.155 0.432 4.61 6.015 0.9964 3064800 Maybridge4_003957 FC(F)(F)c1ccc(cc1)C(=O)NCC(c2c[nH]c3ccccc23)c4ccccc4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 D20 compound treatment 0.828 -0.0152 -0.16 0.792 0.0689 0.74 0.4093 0.5437 3179524 Maybridge4_003958 FC(F)(F)c1cccnc1N2CCN(CC2)c3ccc(NC(=O)Nc4ccc(Cl)cc4)cn3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 D21 compound treatment 0.617 -0.226 -2.34 0.618 -0.105 -1.12 -2.4504 -0.9433 3064801 Maybridge4_003959 CN(C)/C=C(\C#N)/c1nnc(c2ccccn2)n1C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 D22 compound treatment 0.912 0.0688 0.71 0.772 0.0489 0.52 0.8734 0.9883 3179525 Maybridge4_003960 Fc1ccc(CS(=O)(=O)CCNC(=O)c2c(F)cccc2Cl)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 D23 mock treatment 0.868 0.0248 0.26 0.76 0.0369 0.39 0.4605 0.9785 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 D24 mock treatment 0.795 -0.0482 -0.5 0.662 -0.0611 -0.65 -0.8144 -0.9912 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 E01 compound treatment 1.118 0.275 2.85 1.043 0.32 3.42 4.4292 0.9959 3179526 Maybridge4_003961 O=C(NC1CCCCNC1=O)c2cn(c3ccccc23)S(=O)(=O)c4ccccc4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 E02 compound treatment 0.998 0.155 1.6 0.84 0.117 1.25 2.0169 0.9924 3064802 Maybridge4_003962 FC(F)(F)c1ccc(cc1)C2=NCCc3sccc23 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 E03 compound treatment 0.99 0.147 1.52 0.85 0.127 1.36 2.0339 0.9984 3179527 Maybridge4_003963 COc1cc2CCN(Cc2cc1OC)S(=O)(=O)c3ccc4OC(C)(C)CCc4c3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 E04 compound treatment 1.003 0.16 1.66 0.907 0.184 1.96 2.5597 0.9964 3064804 Maybridge4_003964 O=C(Nc1ccccc1)Nc2cccc(c2)c3nnco3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 E05 compound treatment 0.872 0.0288 0.3 0.784 0.0609 0.65 0.6711 0.9375 3064805 Maybridge4_003965 CC(C)(C)OC(=O)N1CCC(CNC(=O)c2ccno2)CC1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 E06 compound treatment 1.185 0.342 3.54 1.132 0.409 4.37 5.5922 0.9946 1736114 Maybridge4_003966 COc1ccc(cc1)C2N(CCc3sccc23)C(=S)NCC=C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 E07 compound treatment 0.958 0.115 1.19 0.874 0.151 1.61 1.9808 0.9888 3179528 Maybridge4_003967 Cc1nn(C)c(C)c1CNC(=O)c2ccc(nc2)N3CCOCC3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 E08 compound treatment 0.94 0.0968 1.0 0.832 0.109 1.16 1.5317 0.9973 3064806 Maybridge4_003968 O=C(NC(=O)c1nnc(o1)c2ccccc2)N3CCOCC3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 E09 compound treatment 1.13 0.287 2.97 1.069 0.346 3.7 4.7135 0.9941 3179529 Maybridge4_003969 COc1ccc(cc1)n2ncc(C(=O)NCc3ccc(cc3)c4cccs4)c2C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 E10 compound treatment 1.383 0.54 5.59 1.327 0.604 6.45 8.5154 0.9975 3064807 Maybridge4_003970 CC(C)c1ncc2CSc3ccc(Cl)cc3-c2n1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 E11 compound treatment 0.961 0.118 1.22 0.872 0.149 1.59 1.9877 0.9914 3179530 Maybridge4_003971 COc1ccc(cc1)c2ocnc2C(=O)NCc3nn(nc3C)c4ccccc4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 E12 compound treatment 1.1 0.257 2.66 0.932 0.209 2.23 3.4589 0.9962 3064809 Maybridge4_003972 COC(=O)c1sccc1c2ccc(o2)c3ccn(n3)S(=O)(=O)c4ccc(Cl)cc4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 E13 compound treatment 0.745 -0.0982 -1.02 0.6 -0.123 -1.32 -1.649 -0.9919 3179531 Maybridge4_003973 Cc1c(C)c(C)c2[nH]c(nc2c1C)c3ccc4OCOc4c3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 E14 compound treatment 1.302 0.459 4.75 1.342 0.619 6.61 8.0355 0.9869 3179532 Maybridge4_003974 FC(F)(F)c1cccc(NC(=O)/C(=C\c2cccs2)/c3ccsc3)c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 E15 compound treatment 0.926 0.0828 0.86 0.773 0.0499 0.53 0.9835 0.9738 3064810 Maybridge4_003975 FC(F)(F)c1ccccc1N/C(=N/C#N)/N2CCCC2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 E16 compound treatment 0.98 0.137 1.42 0.869 0.146 1.56 2.1042 0.9989 3179533 Maybridge4_003976 FC(F)(F)c1cccc(NC(=O)CS(=O)(=O)Nc2cccc(c2)C(F)(F)F)c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 E17 compound treatment 0.857 0.0138 0.14 0.788 0.0649 0.69 0.5915 0.8354 3064811 Maybridge4_003977 Cc1cc(NC(=O)NC(=O)c2csnn2)no1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 E18 compound treatment 0.074 -0.769 -7.97 0.243 -0.48 -5.13 -9.2599 -0.9773 3179534 Maybridge4_003978 FC(F)(F)C1N(CCc2c1[nH]c3ccccc23)C(=O)c4ccc(Cl)cc4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 E19 compound treatment 0.953 0.11 1.14 0.83 0.107 1.14 1.6118 1.0 3064812 Maybridge4_003979 Cc1noc(C)c1c2nc(CS(=O)(=O)Cc3ccc(Cl)cc3)no2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 E20 compound treatment 0.929 0.0858 0.89 0.831 0.108 1.15 1.4436 0.9917 3064813 Maybridge4_003980 Cc1cc(cc(C)c1I)C(C)(C)C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 E21 compound treatment 1.252 0.409 4.23 1.243 0.52 5.55 6.9214 0.991 1590769 Maybridge4_003981 CNC(=S)N1CCc2sccc2C1c3ccc(Cl)cc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 E22 compound treatment 1.341 0.498 5.16 1.303 0.58 6.2 8.0265 0.9958 3064814 Maybridge4_003982 CN(C)/C=N/C(=O)c1ccc(s1)c2cccs2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 E23 mock treatment 0.785 -0.0582 -0.6 0.717 -0.00609 -0.07 -0.4722 -0.779 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 E24 mock treatment 0.853 0.00981 0.1 0.741 0.0179 0.19 0.2071 0.9562 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 F01 compound treatment 1.096 0.253 2.62 0.998 0.275 2.94 3.9282 0.9984 3179535 Maybridge4_003983 Clc1ccc(OC(=O)/C=C/c2ccc(s2)c3cccs3)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 F02 compound treatment 0.049 -0.794 -8.23 0.053 -0.67 -7.16 -10.8783 -0.9976 3064815 Maybridge4_003984 Cc1ccc(C)n1c2ccc(cc2)n3cccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 F03 compound treatment 0.9 0.0568 0.59 0.689 -0.0341 -0.36 0.1585 0.2291 1608279 Maybridge4_003985 CC(O)(CNCc1ccc(Cl)cc1)CSc2ccccc2Cl 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 F04 compound treatment 0.986 0.143 1.48 0.83 0.107 1.14 1.8535 0.9918 3179536 Maybridge4_003986 COC(=O)c1cc(=O)c2cc(NC(=O)c3ccc(OC(F)(F)F)cc3)ccc2[nH]1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 F05 compound treatment 0.941 0.0978 1.01 0.818 0.0949 1.01 1.4333 1.0 3064655 Maybridge4_003987 CC1(C)COC(=N1)c2sccc2C(=O)O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 F06 compound treatment 0.678 -0.165 -1.71 0.559 -0.164 -1.75 -2.4494 -0.9999 1318553 Maybridge4_003988 NNC(=O)c1ccc(cc1)c2ccccc2F 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 F07 compound treatment 0.944 0.101 1.04 0.82 0.0969 1.04 1.4704 1.0 3179537 Maybridge4_003989 OC1CS(=O)(=O)CC1S(=O)(=O)c2ccc(Cl)cc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 F08 compound treatment 0.922 0.0788 0.82 0.782 0.0589 0.63 1.0222 0.9917 3064656 Maybridge4_003990 COc1cc(cc(c1C(=O)NCc2cccs2)C(F)(F)F)C(F)(F)F 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 F09 compound treatment 1.063 0.22 2.28 0.925 0.202 2.16 3.135 0.9996 3179538 Maybridge4_003991 CSc1ccc(s1)C(=O)NC(=O)NCc2cccc(Cl)c2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 F10 compound treatment 0.931 0.0878 0.91 0.829 0.106 1.13 1.4431 0.9941 1598180 Maybridge4_003992 CN(C)c1cnn(c2cnc3ccccc3n2)c(=O)c1Cl 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 F11 compound treatment 1.044 0.201 2.08 0.911 0.188 2.01 2.8901 0.9998 3179539 Maybridge4_003993 Cc1nnsc1C(=O)Oc2ccc(cc2)c3nn[nH]c3C#N 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 F12 compound treatment 0.888 0.0448 0.46 0.772 0.0489 0.52 0.6976 0.9983 3179540 Maybridge4_003994 CC(C)(C)c1cc(n(n1)c2ccc(cc2)n3cccc3)C(C)(C)C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 F13 compound treatment 1.156 0.313 3.24 1.135 0.412 4.4 5.4025 0.9887 3064661 Maybridge4_003995 CCOC(=O)c1cc(CSc2ccc(cn2)C(F)(F)F)c3OCOCc3c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 F14 compound treatment 0.961 0.118 1.22 0.859 0.136 1.45 1.8895 0.9963 1225795 Maybridge4_003996 CNC(=S)N1CCN(CC1)c2ccccc2OC 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 F15 compound treatment 0.96 0.117 1.21 0.839 0.116 1.24 1.7311 0.9999 3179541 Maybridge4_003997 Clc1cc(Cl)cc(c1)C(=O)OCCSc2cnc3ccccc3n2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 F16 compound treatment 0.927 0.0838 0.87 0.746 0.0229 0.24 0.7868 0.8724 3064703 Maybridge4_003998 CS(=O)(=O)Nc1ccc(nc1)N2CCN(CC2)c3ccc(cn3)C(F)(F)F 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 F17 compound treatment 1.235 0.392 4.06 1.189 0.466 4.98 6.389 0.9949 3179628 Maybridge4_003999 FC(F)(F)c1cccc(NC(=S)N2CCCC2)c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 F18 compound treatment 0.992 0.149 1.54 0.934 0.211 2.25 2.6831 0.9829 1219010 Maybridge4_004000 COc1cccc(Oc2ccc(OC)cc2C(=O)NN)c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 F19 compound treatment 0.937 0.0938 0.97 0.795 0.0719 0.77 1.2302 0.9932 1054347 Maybridge4_004001 Cc1ccc(cc1)S(=O)(=O)NC(=O)N2CCCC2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 F20 compound treatment 0.965 0.122 1.26 0.844 0.121 1.29 1.8055 0.9999 1252794 Maybridge4_004002 CC(C)Cc1ccc(cc1)C(C)c2nc(no2)c3cccs3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 F21 compound treatment 0.57 -0.273 -2.83 0.568 -0.155 -1.66 -3.1723 -0.9675 3179629 Maybridge4_004003 Cc1nc(sc1C(=O)Nc2ccc(Cl)cc2)C(=O)Nc3ccc(Cl)cc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 F22 compound treatment 0.788 -0.0552 -0.57 0.724 9.06E-4 0.01 -0.3973 -0.695 3179630 Maybridge4_004004 CC(C)(C)c1n[nH]c(c1Cc2c(F)cccc2Cl)C(C)(C)C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 F23 mock treatment 0.846 0.00281 0.03 0.764 0.0409 0.44 0.3296 0.7526 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 F24 mock treatment 0.858 0.0148 0.15 0.74 0.0169 0.18 0.2362 0.9967 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 G01 compound treatment 1.012 0.169 1.75 0.814 0.0909 0.97 1.923 0.9615 3064707 Maybridge4_004005 O=C(NC1CCCCNC1=O)c2ccc3nsnc3c2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 G02 compound treatment 1.229 0.386 4.0 1.153 0.43 4.59 6.0731 0.9976 3179631 Maybridge4_004006 Cc1noc(C)c1C(=O)N2CCc3sccc3C2c4ccc(cc4)C(F)(F)F 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 G03 compound treatment 1.004 0.161 1.67 0.875 0.152 1.62 2.3252 0.9999 1266306 Maybridge4_004007 NS(=O)(=O)c1ccc(CNS(=O)(=O)c2ccccc2)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 G04 compound treatment 1.362 0.519 5.37 1.381 0.658 7.03 8.7695 0.9912 3179632 Maybridge4_004008 CCOC(=O)c1ncoc1c2ccc(Cl)cc2Cl 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 G05 compound treatment 1.024 0.181 1.87 0.877 0.154 1.64 2.4868 0.9979 3064708 Maybridge4_004009 Clc1cccc(NC(=O)NCc2csc(n2)c3cccs3)c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 G06 compound treatment 0.978 0.135 1.4 0.84 0.117 1.25 1.8704 0.9985 1361028 Maybridge4_004010 COc1ccc(cc1)C2N(CCc3sccc23)S(=O)(=O)c4ccc(Cl)cc4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 G07 compound treatment 0.995 0.152 1.57 0.828 0.105 1.12 1.9043 0.9862 3179633 Maybridge4_004011 O=C(N1CCC2(CC1)NC(=O)c3ccccc3O2)c4ncoc4c5ccccc5 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 G08 compound treatment 1.077 0.234 2.42 0.955 0.232 2.48 3.4642 0.9999 3064709 Maybridge4_004012 NC(=S)c1sccc1CS(=O)c2ccc(Cl)cc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 G09 compound treatment 0.98 0.137 1.42 0.834 0.111 1.18 1.8398 0.996 3179634 Maybridge4_004013 COc1ccccc1CC(=O)NCc2ccc(cc2)c3cccs3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 G10 compound treatment 0.94 0.0968 1.0 0.792 0.0689 0.74 1.2295 0.9885 3064710 Maybridge4_004014 FC(F)(F)c1cc(=O)[nH]c2CCCC(=O)c12 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 G11 compound treatment 0.997 0.154 1.59 0.864 0.141 1.51 2.1909 0.9996 3179635 Maybridge4_004015 Cc1nn(nc1CNC(=O)C2CC2)c3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 G12 compound treatment 0.796 -0.0472 -0.49 0.478 -0.245 -2.62 -2.1971 -0.8248 3064711 Maybridge4_004016 FC(F)(F)c1cccc(OCc2ccc(cc2)c3ncns3)c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 G13 compound treatment 1.263 0.42 4.35 1.269 0.546 5.83 7.1984 0.9895 3179636 Maybridge4_004017 Fc1cc(C(=O)NCc2ccco2)c3OCOCc3c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 G14 compound treatment 1.014 0.171 1.77 0.843 0.12 1.28 2.1567 0.9874 3064712 Maybridge4_004018 Fc1ccc(OC(=O)/C(=C\c2cccs2)/c3ccsc3)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 G15 compound treatment 0.969 0.126 1.3 0.836 0.113 1.21 1.7743 0.9993 3179637 Maybridge4_004019 COC(=O)C1=NN(C(=O)C1)c2c(C)cccc2Cl 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 G16 compound treatment 0.923 0.0798 0.83 0.788 0.0649 0.69 1.0748 0.9962 1285053 Maybridge4_004020 Fc1ccc(NC(=O)CS(=O)(=O)Nc2ccc(F)cc2Cl)c(Cl)c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 G17 compound treatment 1.126 0.283 2.93 1.015 0.292 3.12 4.2763 0.9995 3179638 Maybridge4_004021 Clc1ccc(CSCc2ccc(cc2)c3csnn3)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 G18 compound treatment 0.86 0.0168 0.17 0.728 0.00491 0.05 0.1602 0.8809 1173952 Maybridge4_004022 COc1cc(NS(=O)(=O)c2c(C)oc3c(F)c(F)c(F)c(F)c23)cc(OC)c1OC 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 G19 compound treatment 0.977 0.134 1.39 0.863 0.14 1.49 2.0369 0.9993 1587917 Maybridge4_004023 Clc1cc(Cl)cc(c1)C(=O)NCc2ccc(cc2)c3csnn3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 G20 compound treatment 0.877 0.0338 0.35 0.756 0.0329 0.35 0.4962 1.0 3179639 Maybridge4_004024 Clc1ccc(/C=N/Cc2ccc(s2)c3cccs3)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 G21 compound treatment 1.086 0.243 2.51 0.977 0.254 2.71 3.6963 0.9993 3064752 Maybridge4_004025 Cc1cc(C(=O)O)c(C)n1c2cc(cc(c2)C(F)(F)F)C(F)(F)F 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 G22 compound treatment 0.078 -0.765 -7.93 0.216 -0.507 -5.42 -9.4346 -0.9828 1446641 Maybridge4_004026 COc1ccc2ncc3COc4ccc(Cl)cc4-c3c2c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 G23 mock treatment 0.844 8.12E-4 0.01 0.737 0.0139 0.15 0.111 0.746 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 G24 mock treatment 0.884 0.0408 0.42 0.737 0.0139 0.15 0.4039 0.9016 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 H01 compound treatment 0.937 0.0938 0.97 0.811 0.0879 0.94 1.3511 0.9999 3064753 Maybridge4_004027 CC(=O)Nc1ccccc1OCC(O)CS(=O)(=O)c2ccc(cn2)C(F)(F)F 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 H02 compound treatment 1.284 0.441 4.57 1.322 0.599 6.4 7.7526 0.9863 3064754 Maybridge4_004028 CC(C)c1ccc(C)c2c(C#N)cc(C)c2c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 H03 compound treatment 1.028 0.185 1.91 0.848 0.125 1.33 2.2971 0.9844 3064755 Maybridge4_004029 Cc1noc(c1c2nnc(o2)c3cccc(c3)C(F)(F)F)C(F)(F)F 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 H04 compound treatment 1.414 0.571 5.91 1.425 0.702 7.5 9.4827 0.9931 3064756 Maybridge4_004030 COc1ccc(C/N=C/c2ccc(OC)c(OC)c2)cc1OC 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 H05 compound treatment 1.338 0.495 5.12 1.381 0.658 7.03 8.5937 0.988 3064758 Maybridge4_004031 Clc1ccc(cc1)c2cc[nH]n2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 H06 compound treatment 1.266 0.423 4.38 1.194 0.471 5.03 6.6538 0.9976 3179640 Maybridge4_004032 COC(=O)Cc1nc(sc1C)c2ccc(F)cc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 H07 compound treatment 0.942 0.0988 1.02 0.847 0.124 1.32 1.6597 0.9919 1266051 Maybridge4_004033 COc1ccc(cc1)S(=O)(=O)C2CS(=O)(=O)CC2O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 H08 compound treatment 1.189 0.346 3.58 1.119 0.396 4.23 5.5233 0.9966 3179641 Maybridge4_004034 COc1cc(cc(c1C(=O)N2CCC(CC2)C(=O)c3ccc(Cl)cc3)C(F)(F)F)C(F)(F)F 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 H09 compound treatment 1.15 0.307 3.18 0.984 0.261 2.79 4.2179 0.9979 1103147 Maybridge4_004035 N#Cc1c(nc2SCCn12)c3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 H10 compound treatment 0.942 0.0988 1.02 0.794 0.0709 0.76 1.2593 0.989 3179642 Maybridge4_004036 Brc1cc(Br)cc(c1)C(=O)NC(=O)N2CCOCC2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 H11 compound treatment 1.188 0.345 3.57 1.067 0.344 3.67 5.1232 0.9999 3064759 Maybridge4_004037 O=S(=O)(/C(=C/c1ccc(s1)C2=CCOc3ccccc23)/C#N)c4ccccc4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 H12 compound treatment 0.539 -0.304 -3.15 0.463 -0.26 -2.78 -4.1925 -0.998 1625813 Maybridge4_004038 CCN(CC)c1ccc(NC(=O)c2ccc(Cl)cc2)c(n1)N(CC)CC 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 H13 compound treatment 1.228 0.385 3.99 1.145 0.422 4.51 6.0054 0.9981 3179643 Maybridge4_004039 CCOC(=O)c1cc(CSc2cccc(c2)C(F)(F)F)c3OCOCc3c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 H14 compound treatment 1.134 0.291 3.01 1.015 0.292 3.12 4.3349 0.9998 3064760 Maybridge4_004040 Cc1ccc(SCCC(=O)N2CCN(CC2)c3ncc(cc3Cl)C(F)(F)F)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 H15 compound treatment 1.225 0.382 3.95 1.125 0.402 4.29 5.8323 0.9992 1714044 Maybridge4_004041 O=C1CC(Sc2ccccc2N1)c3ccco3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 H16 compound treatment 0.964 0.121 1.25 0.839 0.116 1.24 1.7604 1.0 3179644 Maybridge4_004042 CNC(=S)Nc1ccc(nc1)N2CCN(CC2)c3ccc(cn3)C(F)(F)F 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 H17 compound treatment 1.181 0.338 3.5 1.12 0.397 4.24 5.4723 0.9954 3064761 Maybridge4_004043 FC(F)(F)c1ccccc1NC(=S)N2CCCC2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 H18 compound treatment 1.205 0.362 3.75 1.177 0.454 4.85 6.0787 0.9919 3179645 Maybridge4_004044 Cc1ccc(SCc2cccc(c2)C(=O)N3CCN(CC3)c4ncccc4C(F)(F)F)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 H19 compound treatment 0.969 0.126 1.3 0.826 0.103 1.1 1.6988 0.9964 3064762 Maybridge4_004045 FC(F)(F)C(CNC(=O)Nc1ccccc1)c2ccc[nH]2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 H20 compound treatment 1.325 0.482 4.99 1.312 0.589 6.29 7.9773 0.9934 3179646 Maybridge4_004046 FC(F)(F)Oc1ccc(cc1)C2N(CCc3sccc23)C(=O)c4ccco4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 H21 compound treatment 1.053 0.21 2.17 0.908 0.185 1.98 2.9334 0.9989 1471144 Maybridge4_004047 Cc1nc(sc1C(=O)Oc2ccc(Cl)cc2)C(=O)Oc3ccc(Cl)cc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 H22 compound treatment 0.484 -0.359 -3.72 0.425 -0.298 -3.18 -4.8824 -0.997 3179647 Maybridge4_004048 CC(C)(C)C(=O)C(Cc1c(F)cccc1Cl)C(=O)C(C)(C)C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 H23 mock treatment 0.88 0.0368 0.38 0.797 0.0739 0.79 0.8279 0.9442 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 H24 mock treatment 0.857 0.0138 0.14 0.715 -0.00809 -0.09 0.04 0.2394 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 I01 compound treatment 0.927 0.0838 0.87 0.76 0.0369 0.39 0.8926 0.9362 3064764 Maybridge4_004049 Cc1nn(C)c2sc(cc12)C(=O)NC3CCCCNC3=O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 I02 compound treatment 1.165 0.322 3.33 1.037 0.314 3.35 4.7281 1.0 3179648 Maybridge4_004050 FC(F)(F)c1ccc(cc1)C2N(CCc3sccc23)C(=O)Nc4ccccc4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 I03 compound treatment 0.966 0.123 1.27 0.819 0.0959 1.02 1.6239 0.9942 3179649 Maybridge4_004051 CC1(C)CCc2cc(ccc2O1)S(=O)(=O)NCc3ccc(cc3)S(=O)(=O)N 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 I04 compound treatment 1.062 0.219 2.27 0.948 0.225 2.4 3.3015 0.9996 3064766 Maybridge4_004052 NNC(=O)c1ncoc1c2ccc(Cl)cc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 I05 compound treatment 1.001 0.158 1.63 0.911 0.188 2.01 2.5752 0.9948 3064767 Maybridge4_004053 Cc1cc(C)cc(NC(=O)NCc2csc(n2)c3cccs3)c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 I06 compound treatment 0.928 0.0848 0.88 0.733 0.00991 0.11 0.696 0.7866 1598083 Maybridge4_004054 NNC(=O)CS(=O)(=O)Cc1ccc(cc1)c2csnn2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 I07 compound treatment 1.001 0.158 1.63 0.96 0.237 2.53 2.9454 0.9776 3179650 Maybridge4_004055 O=C(NCc1ccc2OCCc2c1)c3ccc4nsnc4c3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 I08 compound treatment 1.085 0.242 2.5 0.994 0.271 2.89 3.8174 0.9974 1651781 Maybridge4_004056 CC(C)(C)c1csc(n1)c2sccc2COc3ccc(Cl)cc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 I09 compound treatment 1.044 0.201 2.08 0.874 0.151 1.61 2.6106 0.9921 3179651 Maybridge4_004057 Cn1nc(cc1C(=O)NCc2ccc(cc2)c3cccs3)C(C)(C)C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 I10 compound treatment 1.08 0.237 2.45 0.977 0.254 2.71 3.6524 0.9987 1154669 Maybridge4_004058 Cc1nn(cc1c2nsc(Nc3ccccc3)n2)C(=O)c4ccccc4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 I11 compound treatment 1.004 0.161 1.67 0.874 0.151 1.61 2.3177 0.9999 3179736 Maybridge4_004059 CN1CCOc2cc(ccc12)S(=O)(=O)NCc3nn(nc3C)c4ccccc4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 I12 compound treatment 0.953 0.11 1.14 0.826 0.103 1.1 1.5816 0.9999 3064768 Maybridge4_004060 Fc1ccc(NC(=O)NC(=O)c2csc(n2)c3ccc(cc3Cl)C(F)(F)F)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 I13 compound treatment 0.865 0.0218 0.23 0.753 0.0299 0.32 0.3857 0.9856 3179737 Maybridge4_004061 Fc1cc(C(=O)NCc2ccc(cc2)N3CCOCC3)c4OCOCc4c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 I14 compound treatment 1.195 0.352 3.64 1.106 0.383 4.09 5.4691 0.9983 3179738 Maybridge4_004062 Cc1cc(NC(=O)/C(=C/c2cccs2)/c3ccsc3)no1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 I15 compound treatment 0.932 0.0888 0.92 0.804 0.0809 0.86 1.2616 0.9995 3064816 Maybridge4_004063 COC(=O)C/1=NN(C(=O)\C1=N/O)c2c(C)cccc2Cl 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 I16 compound treatment 1.133 0.29 3.0 1.058 0.335 3.58 4.6524 0.9962 3064817 Maybridge4_004064 COC(=O)C/1=NN(C(=O)\C1=C/N(C)C)c2ccccc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 I17 compound treatment 1.063 0.22 2.28 0.939 0.216 2.31 3.2408 1.0 3064818 Maybridge4_004065 FC(F)(F)c1cc(/C=C(\C#N)/S(=O)(=O)c2ccccc2)cc(c1)C(F)(F)F 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 I18 compound treatment 0.391 -0.452 -4.68 0.273 -0.45 -4.81 -6.7117 -0.9999 3064819 Maybridge4_004066 OC(=O)c1coc2CCC/C(=N\N3CCCCC3)/c12 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 I19 compound treatment 1.004 0.161 1.67 0.899 0.176 1.88 2.5066 0.9982 1604639 Maybridge4_004067 CNC(=S)NCc1ccc(cc1)c2csnn2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 I20 compound treatment 0.922 0.0788 0.82 0.791 0.0679 0.73 1.0902 0.9983 3064820 Maybridge4_004068 FC(F)(F)c1cccc(/C=N/Cc2ccc(s2)c3cccs3)c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 I21 compound treatment 0.883 0.0398 0.41 0.756 0.0329 0.35 0.5401 0.9968 3064821 Maybridge4_004069 FC(F)(F)c1cc(cc(c1)C(F)(F)F)C(=O)Oc2ccc(cc2)c3csnn3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 I22 compound treatment 0.879 0.0358 0.37 0.708 -0.0151 -0.16 0.1483 0.3666 3064822 Maybridge4_004070 COc1cc(/C=C\2/N=C(C)OC2=O)cc(OC)c1OC 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 I23 mock treatment 0.864 0.0208 0.22 0.707 -0.0161 -0.17 0.0308 0.1119 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 I24 mock treatment 0.86 0.0168 0.17 0.762 0.0389 0.42 0.417 0.9254 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 J01 compound treatment 1.307 0.464 4.8 1.189 0.466 4.98 6.9163 0.9998 3064823 Maybridge4_004071 CSc1cc(n[nH]1)c2nccs2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 J02 compound treatment 1.243 0.4 4.14 1.197 0.474 5.06 6.508 0.995 3179739 Maybridge4_004072 CC(C)c1ccc(C)c2c(/C=C(/C#N)\S(=O)(=O)C)cc(C)c2c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 J03 compound treatment 1.406 0.563 5.83 1.424 0.701 7.49 9.4166 0.9923 3064824 Maybridge4_004073 Nc1nc2c(c(sc2s1)C(F)(F)F)c3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 J04 compound treatment 0.86 0.0168 0.17 0.643 -0.0801 -0.86 -0.4819 -0.5519 3179740 Maybridge4_004074 NC(=S)Nc1ccc(cc1Cl)C(F)(F)F 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 J05 compound treatment 0.971 0.128 1.32 0.808 0.0849 0.91 1.5774 0.983 3179741 Maybridge4_004075 COC(=O)c1sc(c(c1S(=O)(=O)N2CCOCC2)c3ccccc3)C(F)(F)F 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 J06 compound treatment 0.107 -0.736 -7.62 0.129 -0.594 -6.35 -9.8794 -0.9958 3064825 Maybridge4_004076 CC(C)N(C(C)C)C(=O)c1ccc(cc1)c2ccccc2F 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 J07 compound treatment 0.873 0.0298 0.31 0.78 0.0569 0.61 0.6482 0.9507 1125107 Maybridge4_004077 Clc1snnc1CN2CCOCC2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 J08 compound treatment 1.325 0.482 4.99 1.341 0.618 6.6 8.1964 0.9905 3179742 Maybridge4_004078 Clc1ccc(Sc2ccc(C#N)cn2)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 J09 compound treatment 1.087 0.244 2.53 0.944 0.221 2.36 3.4543 0.9994 3179743 Maybridge4_004079 COc1cc(cc(OC)c1OC)C(=O)OC(Cc2ccccc2)C(F)(F)F 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 J10 compound treatment 1.149 0.306 3.17 1.118 0.395 4.22 5.2228 0.99 1420510 Maybridge4_004080 NC(=S)c1nc(oc1N)c2ccccc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 J11 compound treatment 0.894 0.0508 0.53 0.786 0.0629 0.67 0.8473 0.9927 3064826 Maybridge4_004081 CCOC(=O)Cc1csc(n1)c2ncc(cc2Cl)C(F)(F)F 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 J12 compound treatment 0.857 0.0138 0.14 0.713 -0.0101 -0.11 0.0249 0.139 1571322 Maybridge4_004082 CCN(CC)c1ccc(NC(=O)C2CCCCC2)c(n1)N(CC)CC 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 J13 compound treatment 0.693 -0.15 -1.56 0.673 -0.0501 -0.54 -1.4783 -0.8987 3064827 Maybridge4_004083 CC(C)(C)Cc1nc(no1)C2(CC2)c3ccc(Cl)cc3Cl 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 J14 compound treatment 1.192 0.349 3.61 1.103 0.38 4.06 5.4244 0.9983 3179744 Maybridge4_004084 CN(C)c1ccc(/C=C(\C#N)/S(=O)(=O)c2ccccc2)cc1C#N 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 J15 compound treatment 0.828 -0.0152 -0.16 0.725 0.00191 0.02 -0.0968 -0.6105 1672501 Maybridge4_004085 O=C(NC(=O)N1CCCC1)C2CCN(CC2)c3cnc4ccccc4n3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 J16 compound treatment 0.849 0.00581 0.06 0.733 0.00991 0.11 0.1174 0.9642 3064828 Maybridge4_004086 CC(C)Cc1ccc(cc1)C(C)C(=O)Nc2ccc(Cl)cc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 J17 compound treatment 1.125 0.282 2.92 1.052 0.329 3.51 4.5485 0.9957 1716306 Maybridge4_004087 O=C(C1CCN(CC1)C(=O)c2ccco2)c3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 J18 compound treatment 0.895 0.0518 0.54 0.787 0.0639 0.68 0.8622 0.9929 1727489 Maybridge4_004088 Cc1ccc(F)cc1N2CC(CC2=O)C(=O)O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 J19 compound treatment 0.69 -0.153 -1.59 0.568 -0.155 -1.66 -2.2935 -0.9998 3179745 Maybridge4_004089 Clc1ccc(/C=C/2\COC/C(=C\c3ccc(Cl)cc3)/C2=O)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 J20 compound treatment 0.887 0.0438 0.45 0.763 0.0399 0.43 0.6223 0.9995 1700558 Maybridge4_004090 CC(C)(C)c1ccc(cc1)C(=O)N2CCC(CC2)c3nc(no3)c4ccc(Cl)cc4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 J21 compound treatment 1.315 0.472 4.89 1.293 0.57 6.09 7.7605 0.9941 3064829 Maybridge4_004091 Fc1ccc(NC(=O)Cc2cc(F)cc(F)c2)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 J22 compound treatment 1.093 0.25 2.59 0.916 0.193 2.06 3.2868 0.9936 3064830 Maybridge4_004092 CC(C)(C)c1nnc(o1)c2cccc(NS(=O)(=O)c3ccc(s3)c4ccon4)c2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 J23 mock treatment 0.907 0.0638 0.66 0.775 0.0519 0.55 0.8594 0.9962 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 J24 mock treatment 0.813 -0.0302 -0.31 0.683 -0.0401 -0.43 -0.524 -0.988 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 K01 compound treatment 0.973 0.13 1.34 0.856 0.133 1.42 1.9547 0.9996 3179746 Maybridge4_004093 Clc1ccc(cc1)S(=O)(=O)NC2CCCCNC2=O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 K02 compound treatment 1.009 0.166 1.72 0.878 0.155 1.65 2.3845 0.9998 3179747 Maybridge4_004094 FC(F)(F)c1ccc(cc1)C(=O)Nc2cccc(c2)c3nnco3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 K03 compound treatment 0.926 0.0828 0.86 0.796 0.0729 0.78 1.1572 0.9988 3064831 Maybridge4_004095 O=S(=O)(NCC1COc2ccccc2O1)c3ccc(nc3)N4CCOCC4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 K04 compound treatment 0.945 0.102 1.05 0.787 0.0639 0.68 1.2284 0.9779 1348923 Maybridge4_004096 Cc1cc(NC(=O)CCOc2ccc(F)cc2)no1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 K05 compound treatment 1.007 0.164 1.7 0.879 0.156 1.67 2.3774 1.0 3179748 Maybridge4_004097 Cc1cc(c(C)o1)S(=O)(=O)NCC2CCN(CC2)C(=O)OC(C)(C)C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 K06 compound treatment 0.917 0.0738 0.76 0.819 0.0959 1.02 1.2651 0.9896 1281685 Maybridge4_004098 NC(=O)c1cnc2SCCn2c1=O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 K07 compound treatment 1.139 0.296 3.06 1.081 0.358 3.82 4.8701 0.994 3064832 Maybridge4_004099 COc1ccc(cc1)C(=O)NCc2ccc3OCCc3c2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 K08 compound treatment 1.053 0.21 2.17 0.925 0.202 2.16 3.0618 1.0 3179749 Maybridge4_004100 CC(C)(C)c1csc(n1)c2sccc2CS(=O)(=O)c3ccc(Cl)cc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 K09 compound treatment 1.042 0.199 2.06 0.895 0.172 1.84 2.7546 0.9984 3179750 Maybridge4_004101 COc1ccccc1CC(=O)NCc2nn(nc2C)c3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 K10 compound treatment 0.934 0.0908 0.94 0.828 0.105 1.12 1.4576 0.9962 3064834 Maybridge4_004102 FC(F)(F)c1ccc(SCCS(=O)(=O)CCSc2ccc(cn2)C(F)(F)F)nc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 K11 compound treatment 1.011 0.168 1.74 0.835 0.112 1.2 2.0743 0.9833 3179751 Maybridge4_004103 Cc1noc(C)c1S(=O)(=O)NCc2nn(nc2C)c3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 K12 compound treatment 0.791 -0.0522 -0.54 0.72 -0.00309 -0.03 -0.4056 -0.7489 3064714 Maybridge4_004104 OC(=O)c1ncoc1c2cccc(Cl)c2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 K13 compound treatment 0.93 0.0868 0.9 0.803 0.0799 0.85 1.2394 0.9997 1121050 Maybridge4_004105 CCOC(=O)c1c(NC(=O)C)nc(SC)n1Cc2ccco2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 K14 compound treatment 0.931 0.0878 0.91 0.805 0.0819 0.88 1.2618 0.9998 3179752 Maybridge4_004106 FC(F)(F)c1ccc(SC(=O)/C(=C\c2cccs2)/c3ccsc3)nc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 K15 compound treatment 0.883 0.0398 0.41 0.72 -0.00309 -0.03 0.2682 0.6483 3064716 Maybridge4_004107 CCOC(=O)c1n[nH]c(=S)[nH]c1=O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 K16 compound treatment 1.077 0.234 2.42 0.92 0.197 2.1 3.1998 0.9975 3179753 Maybridge4_004108 COC(=O)c1nn(c2ccccc2)c3oc(=O)cc(C)c13 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 K17 compound treatment 0.832 -0.0112 -0.12 0.756 0.0329 0.35 0.1666 0.4502 3064717 Maybridge4_004109 CC(C)(C)S(=O)(=O)/C(=C/c1cc(cc(c1)C(F)(F)F)C(F)(F)F)/C#N 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 K18 compound treatment 0.659 -0.184 -1.91 0.623 -0.1 -1.07 -2.105 -0.9626 3179754 Maybridge4_004110 FC(F)(F)C1N(CCc2c1[nH]c3ccccc23)C(=O)c4cccc(c4)C(F)(F)F 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 K19 compound treatment 0.064 -0.779 -8.07 0.069 -0.654 -6.99 -10.6476 -0.9974 3064769 Maybridge4_004111 CC1=NN(C(=O)C1)c2ccc(cc2)c3csnn3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 K20 compound treatment 1.085 0.242 2.5 0.96 0.237 2.53 3.5606 1.0 1351476 Maybridge4_004112 Fc1ccccc1NC(=O)NCc2sccc2COc3ccc(Cl)cc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 K21 compound treatment 0.958 0.115 1.19 0.801 0.0779 0.83 1.4294 0.9848 3064771 Maybridge4_004113 CCCC1N(CCc2sccc12)C(=O)c3ccc(Cl)cc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 K22 compound treatment 0.947 0.104 1.08 0.756 0.0329 0.35 1.0089 0.8918 3179755 Maybridge4_004114 COc1cc(/C=C(\NC(=O)C)/C(=O)O)cc(OC)c1OC 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 K23 mock treatment 0.839 -0.00419 -0.04 0.697 -0.0261 -0.28 -0.2278 -0.8074 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 K24 mock treatment 0.858 0.0148 0.15 0.72 -0.00309 -0.03 0.0851 0.5423 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 L01 compound treatment 1.044 0.201 2.08 0.967 0.244 2.61 3.3132 0.9938 3064772 Maybridge4_004115 FC(F)(F)c1sc(cc1c2ccccc2)C(=O)Oc3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 L02 compound treatment 1.339 0.496 5.14 1.388 0.665 7.1 8.6539 0.9873 3179756 Maybridge4_004116 NC(=S)c1ccc(s1)c2cccs2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 L03 compound treatment 1.099 0.256 2.65 1.034 0.311 3.32 4.2221 0.9937 3179757 Maybridge4_004117 COc1ccc(SCc2nsc(Sc3ccc(OC)cc3)n2)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 L04 compound treatment 1.296 0.453 4.69 1.296 0.573 6.12 7.644 0.9914 3064773 Maybridge4_004118 OC(=O)c1c-2c(CSc3ccc(Cl)cc32)nc4ccccc14 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 L05 compound treatment 0.864 0.0208 0.22 0.743 0.0199 0.21 0.3028 1.0 3179758 Maybridge4_004119 CSC(=N)Nc1csc(c1c2ccccc2)C(F)(F)F 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 L06 compound treatment 0.96 0.117 1.21 0.828 0.105 1.12 1.648 0.9993 3179759 Maybridge4_004120 O=C/1Nc2ccccc2\C1=C/c3ccccc3N4CCN(Cc5ccccc5)CC4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 L07 compound treatment 0.216 -0.627 -6.5 0.102 -0.621 -6.64 -9.2851 -0.9999 3064774 Maybridge4_004121 NC(=S)c1cc(c(s1)C(F)(F)F)c2ccccc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 L08 compound treatment 1.013 0.17 1.76 0.925 0.202 2.16 2.7689 0.9949 3064775 Maybridge4_004122 CCOC(=O)Cc1c(C#N)c(N)sc1C(=O)OCC 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 L09 compound treatment 1.151 0.308 3.19 1.111 0.388 4.14 5.1846 0.9916 3179760 Maybridge4_004123 FC(F)(F)C(Cc1ccccc1)OC(=O)c2ccc(Cl)cc2Cl 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 L10 compound treatment 0.347 -0.496 -5.14 0.32 -0.403 -4.31 -6.6789 -0.9961 3064776 Maybridge4_004124 CC(C)(C)c1ccc(s1)C(=O)Nc2ccc(cc2)C(C)(C)C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 L11 compound treatment 0.436 -0.407 -4.22 0.406 -0.317 -3.39 -5.3774 -0.9941 3178169 Maybridge4_004125 FC(F)(F)C1N(CCc2c1[nH]c3ccccc23)C(=O)CSc4ccc(Cl)cc4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 L12 compound treatment 0.945 0.102 1.05 0.844 0.121 1.29 1.659 0.9949 3178170 Maybridge4_004126 FC(F)(F)c1ccc(nc1)N2CCN(CC2)c3ccc(NC(=O)c4cccs4)cn3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 L13 compound treatment 1.354 0.511 5.29 1.361 0.638 6.81 8.5598 0.9922 3064777 Maybridge4_004127 FC(F)(F)c1ccnc(c1)c2ccc(s2)S(=O)(=O)N3CCCC3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 L14 compound treatment 0.299 -0.544 -5.64 0.264 -0.459 -4.9 -7.4535 -0.9976 3064778 Maybridge4_004128 CC1(C)OC(=O)C(=Cc2cccn2c3ccc(cc3)C(F)(F)F)C(=O)O1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 L15 compound treatment 1.133 0.29 3.0 0.987 0.264 2.82 4.1161 0.9995 3178171 Maybridge4_004129 Cc1onc(c1NC(=O)OCCOc2cc(ccn2)C(F)(F)F)c3c(Cl)cccc3Cl 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 L16 compound treatment 1.191 0.348 3.6 1.202 0.479 5.12 6.165 0.9853 3178172 Maybridge4_004130 CC(C)Cc1ccc(cc1)C(C)C(=O)N2CCN(CC2)c3ccc(cn3)C(F)(F)F 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 L17 compound treatment 0.746 -0.0972 -1.01 0.75 0.0269 0.29 -0.5085 -0.4858 1466123 Maybridge4_004131 Clc1ccc(cc1)S(=O)(=O)N2CCC(CC2)C(=O)c3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 L18 compound treatment 1.09 0.247 2.56 0.956 0.233 2.49 3.567 0.9999 3178173 Maybridge4_004132 CS(=O)(=O)/C(=C/c1cccn1c2ccc(OC(F)(F)F)cc2)/C#N 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 L19 compound treatment 1.263 0.42 4.35 1.231 0.508 5.43 6.9113 0.994 3064779 Maybridge4_004133 Clc1ccc(C(=O)n2cc3COCCc3n2)c(Cl)c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 L20 compound treatment 0.989 0.146 1.51 0.874 0.151 1.61 2.2078 0.9995 3178174 Maybridge4_004134 CC(C)(C)c1cc(n(n1)c2ccc(cc2)C(=O)NN)C(C)(C)C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 L21 compound treatment 0.177 -0.666 -6.9 0.16 -0.563 -6.02 -9.1326 -0.9977 3064780 Maybridge4_004135 OC(=O)CCc1ccc(Cl)cc1Cl 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 L22 compound treatment 1.163 0.32 3.31 1.069 0.346 3.7 4.9552 0.9985 1339700 Maybridge4_004136 Cc1onc(c1c2nc(CSc3nc4ccccc4[nH]3)no2)c5ccccc5 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 L23 mock treatment 0.897 0.0538 0.56 0.765 0.0419 0.45 0.7107 0.9941 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 L24 mock treatment 0.745 -0.0982 -1.02 0.599 -0.124 -1.33 -1.6565 -0.9914 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 M01 compound treatment 1.014 0.171 1.77 0.896 0.173 1.85 2.5571 0.9998 3178175 Maybridge4_004137 CCc1ccc(cc1)S(=O)(=O)NC2CCCCNC2=O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 M02 compound treatment 0.042 -0.801 -8.3 0.044 -0.679 -7.25 -10.9975 -0.9978 3064835 Maybridge4_004138 CC/1Sc2ccc(Cl)cc2C(=O)\C1=C\N(C)C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 M03 compound treatment 0.817 -0.0262 -0.27 0.693 -0.0301 -0.32 -0.4191 -0.9964 3178176 Maybridge4_004139 O=S(=O)(N(Cc1ccccn1)Cc2ccccn2)c3ccc(nc3)N4CCOCC4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 M04 compound treatment 0.999 0.156 1.61 0.853 0.13 1.39 2.1224 0.9972 3064836 Maybridge4_004140 Cn1cnnc1SCc2ccc(cc2)c3csnn3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 M05 compound treatment 0.872 0.0288 0.3 0.705 -0.0181 -0.19 0.0743 0.209 3178177 Maybridge4_004141 O=C(N1CCCCCC1)c2ccc(nc2)N3CCOCC3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 M06 compound treatment 0.886 0.0428 0.44 0.777 0.0539 0.58 0.7208 0.9917 3064837 Maybridge4_004142 COC(=O)c1cc(C)cc(=O)o1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 M07 compound treatment 0.989 0.146 1.51 0.879 0.156 1.67 2.2456 0.9988 3064839 Maybridge4_004143 Fc1ccc(cc1F)S(=O)(=O)NCc2ccc3OCCc3c2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 M08 compound treatment 1.278 0.435 4.5 1.28 0.557 5.95 7.3914 0.9906 1167482 Maybridge4_004144 Cc1nc(C)c(o1)c2ccnc(n2)C3(CC4CC5CC(C4)C3)C5 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 M09 compound treatment 1.133 0.29 3.0 1.037 0.314 3.35 4.4938 0.9985 3178178 Maybridge4_004145 CN(C)c1ccc(cc1)C(=O)NCc2nn(nc2C)c3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 M10 compound treatment 0.871 0.0278 0.29 0.768 0.0449 0.48 0.5429 0.9702 1335790 Maybridge4_004146 CN(C)c1c(F)cc(cc1F)C(=O)NC(=O)NCc2cccnc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 M11 compound treatment 0.888 0.0448 0.46 0.788 0.0649 0.69 0.8185 0.9809 3178179 Maybridge4_004147 COc1ccc(OC)c(c1)S(=O)(=O)NCc2nn(nc2C)c3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 M12 compound treatment 0.948 0.105 1.09 0.819 0.0959 1.02 1.4921 0.9996 3064841 Maybridge4_004148 CN(C)c1c(/C=C(/C#N)\S(=O)(=O)C)cc(/C=C(/C#N)\S(=O)(=O)C)c(N(C)C)c1C#N 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 M13 compound treatment 0.709 -0.134 -1.39 0.631 -0.0921 -0.98 -1.6784 -0.9857 3178180 Maybridge4_004149 CSc1nsc(SC)c1C(=O)NC(=O)N2CCSCC2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 M14 compound treatment 1.019 0.176 1.82 0.891 0.168 1.79 2.556 1.0 1166894 Maybridge4_004150 COC(=O)c1c(C)nc(C)c(C(=O)OC)c1c2csc(c2)S(=O)(=O)N3CCSCC3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 M15 compound treatment 1.177 0.334 3.46 1.117 0.394 4.21 5.4203 0.9952 3064844 Maybridge4_004151 COC(=O)c1sc(cc1CS(=O)(=O)c2cc(C)c(Cl)cc2C)C(C)(C)C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 M16 compound treatment 1.184 0.341 3.53 1.142 0.419 4.48 5.6605 0.9931 3178181 Maybridge4_004152 Sc1nccc(n1)c2ccc(s2)c3cccs3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 M17 compound treatment 0.766 -0.0772 -0.8 0.657 -0.0661 -0.71 -1.0646 -0.9981 1462127 Maybridge4_004153 Fc1ccc(C(=O)Nc2ccc(cc2)c3cnco3)c(F)c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 M18 compound treatment 0.713 -0.13 -1.35 0.816 0.0929 0.99 -0.2516 -0.1503 3178182 Maybridge4_004154 Cc1ccccc1C(=O)N2CCc3c([nH]c4ccccc34)C2C(F)(F)F 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 M19 compound treatment 0.785 -0.0582 -0.6 0.608 -0.115 -1.23 -1.2956 -0.9461 1245747 Maybridge4_004155 Clc1ccc(cc1)C2=NCCc3sccc23 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 M20 compound treatment 1.007 0.164 1.7 0.906 0.183 1.95 2.5814 0.9975 3178183 Maybridge4_004156 Clc1ccc(OCc2ccsc2Cn3cccc3)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 M21 compound treatment 1.1 0.257 2.66 1.001 0.278 2.97 3.9801 0.9985 1431141 Maybridge4_004157 CCCC1N(CCc2sccc12)C(=O)c3cc(OC)cc(OC)c3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 M22 compound treatment 0.874 0.0308 0.32 0.764 0.0409 0.44 0.5347 0.9881 3178184 Maybridge4_004158 Clc1ccc(SC(=O)c2ccc(s2)c3cccs3)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 M23 mock treatment 0.845 0.00181 0.02 0.745 0.0219 0.23 0.1788 0.7614 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 M24 mock treatment 0.856 0.0128 0.13 0.712 -0.0111 -0.12 0.01 0.0564 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 N01 compound treatment 1.152 0.309 3.2 1.057 0.334 3.57 4.784 0.9985 3064890 Maybridge4_004159 C/C(=N\O)/c1cc(c(s1)C(F)(F)F)c2ccccc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 N02 compound treatment 0.973 0.13 1.34 0.843 0.12 1.28 1.8565 0.9997 3178185 Maybridge4_004160 CC(C)(C)c1csc(n1)c2ccc(s2)c3cccs3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 N03 compound treatment 1.273 0.43 4.45 1.282 0.559 5.97 7.3698 0.9895 3064891 Maybridge4_004161 FC(F)(F)c1sc(COC(=O)Nc2ccccc2)cc1c3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 N04 compound treatment 0.055 -0.788 -8.16 0.048 -0.675 -7.21 -10.8721 -0.9981 3178186 Maybridge4_004162 FC(F)(F)c1ccc(Cl)c(c1)c2ccc(o2)C(C3C(=O)CCCC3=O)C4C(=O)CCCC4=O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 N05 compound treatment 0.967 0.124 1.28 0.905 0.182 1.94 2.2809 0.9796 3064893 Maybridge4_004163 COc1ccc(SCc2cc3c(F)c(F)c(F)c(F)c3o2)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 N06 compound treatment 1.023 0.18 1.86 0.892 0.169 1.8 2.5928 0.9999 3178187 Maybridge4_004164 Cc1noc(C)c1C(=O)n2cc3CSc4ccc(F)cc4-c3n2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 N07 compound treatment 0.042 -0.801 -8.3 0.043 -0.68 -7.27 -11.0051 -0.9978 3064894 Maybridge4_004165 FC(F)(F)/C(=C(\C#N)/c1ccccc1)/Oc2ccc(C#N)cc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 N08 compound treatment 0.922 0.0788 0.82 0.854 0.131 1.4 1.5661 0.9671 3178188 Maybridge4_004166 Cc1oc(N)c(c1C)S(=O)(=O)/C(=C/c2cc(Cl)cc(Cl)c2)/C#N 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 N09 compound treatment 1.151 0.308 3.19 1.117 0.394 4.21 5.2299 0.9906 3178189 Maybridge4_004167 CCOC(=O)c1ccc2C(=O)/C(=C/c3ccc(Cl)cc3Cl)/CCc2c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 N10 compound treatment 0.89 0.0468 0.48 0.838 0.115 1.23 1.2109 0.9174 1967416 Maybridge4_004168 OC(=O)CCC(=O)N1CCN(CC1)c2ncccc2C(F)(F)F 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 N11 compound treatment 1.077 0.234 2.42 0.972 0.249 2.66 3.5926 0.9989 3064896 Maybridge4_004169 Clc1ccc(SCc2csc(n2)c3ccsc3)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 N12 compound treatment 0.776 -0.0672 -0.7 0.616 -0.107 -1.14 -1.3011 -0.9716 3178190 Maybridge4_004170 FC(F)(F)c1ccc(nc1)N2CCN(CC2)c3ccc(NC(=O)/C=C/c4ccccc4)cn3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 N13 compound treatment 0.928 0.0848 0.88 0.807 0.0839 0.9 1.255 0.9999 3064897 Maybridge4_004171 CN(C)/C=N/C(=S)N1CCOCC1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 N14 compound treatment 0.917 0.0738 0.76 0.838 0.115 1.23 1.4086 0.974 3178191 Maybridge4_004172 OC(=O)C1C(C2CC1C=C2)C(=O)N3CCc4c([nH]c5ccccc45)C3C(F)(F)F 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 N15 compound treatment 0.841 -0.00219 -0.02 0.737 0.0139 0.15 0.089 0.5924 1192815 Maybridge4_004173 O=C(NC(=S)Nc1ccncc1)c2ccccc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 N16 compound treatment 0.904 0.0608 0.63 0.816 0.0929 0.99 1.1472 0.9759 3064898 Maybridge4_004174 CS(=O)(=O)N1CCN(CC1)c2ncccc2C(F)(F)F 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 N17 compound treatment 0.832 -0.0112 -0.12 0.766 0.0429 0.46 0.2422 0.5123 1131475 Maybridge4_004175 Clc1ccc(NC(=O)N2CCC(CC2)C(=O)c3ccccc3)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 N18 compound treatment 0.866 0.0228 0.24 0.735 0.0119 0.13 0.257 0.9578 1346023 Maybridge4_004176 Cc1ccc(cc1)S(=O)(=O)NC(=O)Oc2ccc(cc2)c3csnn3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 N19 compound treatment 0.883 0.0398 0.41 0.781 0.0579 0.62 0.729 0.9806 3178192 Maybridge4_004177 S=C(SCc1ncon1)N2CCSCC2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 N20 compound treatment 1.172 0.329 3.41 1.155 0.432 4.61 5.6708 0.9888 3178193 Maybridge4_004178 Cc1ccc(C)n1CCSCc2c(C)cc(C)cc2C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 N21 compound treatment 0.932 0.0888 0.92 0.807 0.0839 0.9 1.2843 0.9999 1202142 Maybridge4_004179 CCOC(=O)c1c(C)nn(c1C)c2ncccc2NC(=O)CCC(=O)O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 N22 compound treatment 0.928 0.0848 0.88 0.835 0.112 1.2 1.4665 0.9885 1591050 Maybridge4_004180 CCOC(=O)c1[nH]c2ccc(cc2c1CCC(=O)O)C(=O)OCC 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 N23 mock treatment 0.835 -0.00819 -0.08 0.772 0.0489 0.52 0.3095 0.5847 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 N24 mock treatment 0.817 -0.0262 -0.27 0.691 -0.0321 -0.34 -0.4342 -0.9933 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 O01 compound treatment 1.049 0.206 2.13 0.895 0.172 1.84 2.8059 0.9972 3178270 Maybridge4_004181 COc1cc2CCN(Cc2cc1OC)C(=O)c3sc(nc3C)c4cnccn4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 O02 compound treatment 0.91 0.0668 0.69 0.771 0.0479 0.51 0.8512 0.989 1317839 Maybridge4_004182 CC(C)(C)c1ccc(s1)C(=O)NN 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 O03 compound treatment 1.165 0.322 3.33 1.067 0.344 3.67 4.9547 0.9988 3064900 Maybridge4_004183 COc1ccc(cc1)n2ncc(C(=O)Nc3ccc4nccnc4c3)c2C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 O04 compound treatment 0.928 0.0848 0.88 0.751 0.0279 0.3 0.8319 0.8969 3178271 Maybridge4_004184 N/C(=N/O)/c1cnc2SCCn2c1=O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 O05 compound treatment 0.893 0.0498 0.52 0.732 0.00891 0.1 0.4321 0.8236 3178272 Maybridge4_004185 O=C(N1CCSCC1)c2ccc(nc2)N3CCOCC3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 O06 compound treatment 0.858 0.0148 0.15 0.744 0.0209 0.22 0.2664 0.9832 3064901 Maybridge4_004186 NC(=S)c1ccc(cc1Cl)C(F)(F)F 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 O07 compound treatment 0.994 0.151 1.56 0.831 0.108 1.15 1.9196 0.9888 3178273 Maybridge4_004187 O=S(=O)(NCc1ccc(cc1)c2cccs2)c3ccc(nc3)N4CCOCC4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 O08 compound treatment 0.986 0.143 1.48 0.843 0.12 1.28 1.9517 0.9974 3064932 Maybridge4_004188 CN(C)c1ccc(/C=C(\C#N)/S(=O)(=O)C)c(F)c1C#N 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 O09 compound treatment 1.007 0.164 1.7 0.906 0.183 1.95 2.5814 0.9975 3178274 Maybridge4_004189 Cc1nn(nc1CNC(=O)c2cccs2)c3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 O10 compound treatment 0.684 -0.159 -1.65 0.543 -0.18 -1.92 -2.5263 -0.997 3178275 Maybridge4_004190 CN(C)c1c(F)cc(cc1F)C(=O)NC(=O)NC2=NCCS2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 O11 compound treatment 0.817 -0.0262 -0.27 0.693 -0.0301 -0.32 -0.4191 -0.9964 3064933 Maybridge4_004191 Cc1noc(C)c1NC(=O)NCc2ccc3OCOc3c2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 O12 compound treatment 0.86 0.0168 0.17 0.771 0.0479 0.51 0.485 0.8972 3064934 Maybridge4_004192 NNC(=O)c1cc2sccc2s1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 O13 compound treatment 0.893 0.0498 0.52 0.827 0.104 1.11 1.1497 0.9393 3178276 Maybridge4_004193 CSc1nsc(SC)c1C(=O)NC(=O)Nc2ccc(Cl)cc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 O14 compound treatment 1.143 0.3 3.11 1.045 0.322 3.44 4.6274 0.9987 1408005 Maybridge4_004194 COC(=O)c1c(C)nc(C)c(C(=O)OC)c1c2csc(c2)S(=O)(=O)Nc3ccc(OC)cc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 O15 compound treatment 1.059 0.216 2.24 1.02 0.297 3.17 3.8234 0.9853 3064936 Maybridge4_004195 COC(=O)c1sc(cc1CS(=O)(=O)c2ccccn2)C(C)(C)C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 O16 compound treatment 1.264 0.421 4.36 1.301 0.578 6.17 7.4475 0.9855 3178277 Maybridge4_004196 COc1ccc(cc1OC)S(=O)(=O)n2nccc2c3ccc(s3)c4cccs4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 O17 compound treatment 0.838 -0.00519 -0.05 0.766 0.0429 0.46 0.2861 0.62 3064939 Maybridge4_004197 Clc1ccc(NC(=S)Nc2ccc(cc2)c3csnn3)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 O18 compound treatment 0.901 0.0578 0.6 0.897 0.174 1.86 1.7371 0.8899 3178278 Maybridge4_004198 Clc1cccc(Cl)c1C(=O)NCc2ccc(s2)c3cccs3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 O19 compound treatment 1.023 0.18 1.86 0.867 0.144 1.54 2.404 0.9955 3064941 Maybridge4_004199 CNC(=S)N1CCc2sccc2C1C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 O20 compound treatment 0.834 -0.00919 -0.1 0.692 -0.0311 -0.33 -0.3022 -0.8745 3178279 Maybridge4_004200 CS/C(=N\C#N)/NCc1sccc1COc2ccc(Cl)cc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 O21 compound treatment 0.725 -0.118 -1.22 0.557 -0.166 -1.77 -2.1203 -0.9836 1659450 Maybridge4_004201 O=C(NC(=O)c1ccc(cc1)c2csnn2)N3CCCCC3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 O22 compound treatment 1.201 0.358 3.71 1.183 0.46 4.91 6.0947 0.9903 3178280 Maybridge4_004202 CN(C)/C=N\C(=S)c1sccc1CSc2ccc(Cl)cc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 O23 mock treatment 0.802 -0.0412 -0.43 0.711 -0.0121 -0.13 -0.393 -0.8817 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 O24 mock treatment 0.811 -0.0322 -0.33 0.703 -0.0201 -0.21 -0.3875 -0.9773 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 P01 compound treatment 0.99 0.147 1.52 0.845 0.122 1.3 1.9961 0.997 1411380 Maybridge4_004203 COC(=O)c1cc(=O)n2ccccc2c1C#N 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 P02 compound treatment 1.179 0.336 3.48 1.183 0.46 4.91 5.9336 0.9857 3178281 Maybridge4_004204 CN(C)/C=N/C(=S)c1ccc(s1)c2cccs2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 P03 compound treatment 1.057 0.214 2.21 0.939 0.216 2.31 3.1969 0.9998 3178282 Maybridge4_004205 CCOC(=O)c1c(CS(=O)(=O)Cc2ccc(Cl)cc2)oc3c(F)c(F)c(F)c(F)c13 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 P04 compound treatment 1.087 0.244 2.53 0.946 0.223 2.38 3.4695 0.9996 1195874 Maybridge4_004206 COc1ccc(CN(Cc2cc(OC)c(OC)c(OC)c2)C(=O)C(C)(C)C)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 P05 compound treatment 0.9 0.0568 0.59 0.811 0.0879 0.94 1.0801 0.9746 3178283 Maybridge4_004207 COC(=O)c1sc(c(c1S(=O)(=O)NC(C)(C)C)c2ccccc2)C(F)(F)F 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 P06 compound treatment 0.937 0.0938 0.97 0.789 0.0659 0.7 1.1849 0.9875 3064943 Maybridge4_004208 OC1=C(C(=O)c2ccccc12)c3cc(Cl)cc(Cl)c3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 P07 compound treatment 0.048 -0.795 -8.24 0.053 -0.67 -7.16 -10.8856 -0.9976 3064944 Maybridge4_004209 CSc1ccc(/C=C\2/C(=NN(C)C2=O)C)s1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 P08 compound treatment 0.877 0.0338 0.35 0.706 -0.0171 -0.18 0.1185 0.3 1179765 Maybridge4_004210 Cc1noc(C)c1NC(=O)N 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 P09 compound treatment 0.105 -0.738 -7.65 0.108 -0.615 -6.57 -10.0527 -0.9972 3064945 Maybridge4_004211 FC(F)(F)Oc1ccc(NC(=O)C=C)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 P10 compound treatment 1.135 0.292 3.02 1.051 0.328 3.5 4.6142 0.9973 3178284 Maybridge4_004212 CC(C)(C)SCc1cccc(c1)C(=O)N2CCN(CC2)c3ncccc3C(F)(F)F 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 P11 compound treatment 0.891 0.0478 0.5 0.717 -0.00609 -0.07 0.3041 0.6089 3178285 Maybridge4_004213 OC(=O)c1cccnc1C(=O)N2CCc3c([nH]c4ccccc34)C2C(F)(F)F 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 P12 compound treatment 0.698 -0.145 -1.5 0.613 -0.11 -1.18 -1.895 -0.9926 3178286 Maybridge4_004214 O/N=C/c1ccc(Cl)s1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 P13 compound treatment 0.899 0.0558 0.58 0.813 0.0899 0.96 1.0879 0.9705 3178287 Maybridge4_004215 CC(C)(C)NC(=O)N1CCN(CC1)c2cc(ccn2)C(F)(F)F 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 P14 compound treatment 1.176 0.333 3.45 1.005 0.282 3.01 4.5669 0.9977 3064989 Maybridge4_004216 FC(F)(F)C1N(CCc2c1[nH]c3ccccc23)C(=S)NCC=C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 P15 compound treatment 0.743 -0.1 -1.04 0.637 -0.0861 -0.92 -1.3841 -0.9982 3178288 Maybridge4_004217 CN(C(=S)NC(=O)c1ccccc1)c2ccc(OC(F)(F)F)cc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 P16 compound treatment 1.157 0.314 3.25 1.051 0.328 3.5 4.7753 0.9993 3064991 Maybridge4_004218 FC(F)(F)c1ccc(nc1)N2CCN(CC2)C(=O)c3ccco3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 P17 compound treatment 1.139 0.296 3.06 1.034 0.311 3.32 4.515 0.9992 3178289 Maybridge4_004219 Cc1cc(C)n(n1)c2ccc(cc2)n3cccc3/C=C(/C#N)\S(=O)(=O)c4ccccc4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 P18 compound treatment 0.909 0.0658 0.68 0.765 0.0419 0.45 0.7985 0.9792 3178290 Maybridge4_004220 OC(=O)CCCC(=O)Nc1ccccc1SCc2noc(n2)c3cccs3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 P19 compound treatment 0.869 0.0258 0.27 0.733 0.00991 0.11 0.2639 0.9177 1467411 Maybridge4_004221 Fc1ccc(CSC(=S)N2CCN(CC2)C(=S)SCc3ccc(F)cc3)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 P20 compound treatment 0.746 -0.0972 -1.01 0.717 -0.00609 -0.07 -0.7578 -0.7513 3064993 Maybridge4_004222 CC(C)n1nc(cc1C(C)(C)C)C(C)(C)C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 P21 compound treatment 0.976 0.133 1.38 0.85 0.127 1.36 1.9313 1.0 3178291 Maybridge4_004223 Cn1nc(c(c1N2C(=O)C3C4CC(C=C4)C3C2=O)c5ccccc5)C(F)(F)F 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 P22 compound treatment 1.085 0.242 2.5 0.916 0.193 2.06 3.2282 0.9953 3178292 Maybridge4_004224 COC(=O)c1cc(/C=C/C(=O)N(C2CCCCC2)C(=O)NC3CCCCC3)cn1C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 P23 mock treatment 0.843 -1.88E-4 0.0 0.737 0.0139 0.15 0.1037 0.6978 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2060 P24 mock treatment 0.698 -0.145 -1.5 0.606 -0.117 -1.25 -1.9478 -0.9958 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 A01 compound treatment 0.545 -0.186 -1.93 0.625 -0.122 -1.31 -2.2857 -0.9821 1382867 Maybridge4_004225 C1Oc2ccc(cc2O1)C3Nc4ccccc4S3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 A02 compound treatment 1.077 0.346 3.58 0.995 0.248 2.65 4.4055 0.9889 3064994 Maybridge4_004226 CN(C)C(=O)Oc1nnc(SCc2ccc(C)cc2)n1c3cccc(Cl)c3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 A03 compound treatment 1.215 0.484 5.01 1.228 0.481 5.14 7.1763 0.9999 1421127 Maybridge4_004227 Cc1c(cc(c2ccccc2)n1c3ccccc3)C(=O)Nc4ccccc4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 A04 compound treatment 0.908 0.177 1.83 0.859 0.112 1.19 2.1405 0.9784 3178293 Maybridge4_004228 CC(C)Sc1nnc(OC(=O)N(C)C)n1c2cccc(c2)C(F)(F)F 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 A05 compound treatment 1.162 0.431 4.46 1.181 0.434 4.63 6.4331 0.9998 1234864 Maybridge4_004229 N#Cc1ccc(cc1)c2csc(n2)c3ccc(cc3)C4SCCS4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 A06 compound treatment 1.027 0.296 3.07 0.986 0.239 2.55 3.9713 0.9958 3178294 Maybridge4_004230 CSc1nnc(O)c2cc(C)nn12 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 A07 compound treatment 1.174 0.443 4.59 1.156 0.409 4.37 6.3321 0.9997 3064995 Maybridge4_004231 Cc1ccc(cc1)c2csc(COC(=O)C(C)(C)C)n2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 A08 compound treatment 0.823 0.092 0.95 0.831 0.0838 0.89 1.3064 0.9995 3178295 Maybridge4_004232 Fc1ccc(Cn2ccnc2c3ccc(cc3)C(F)(F)F)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 A09 compound treatment 1.037 0.306 3.17 1.016 0.269 2.87 4.2712 0.9988 3064997 Maybridge4_004233 CCn1nc(C)c(Br)c1c2nc(no2)c3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 A10 compound treatment 1.086 0.355 3.68 1.038 0.291 3.11 4.7962 0.9965 3178296 Maybridge4_004234 Cc1nc(C)c(s1)c2nnc(S)n2c3ccccc3C(F)(F)F 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 A11 compound treatment 1.085 0.354 3.67 0.966 0.219 2.34 4.245 0.9763 1124397 Maybridge4_004235 Cc1oc(cc1c2cc(N)n(n2)c3ccc(cc3)S(=O)(=O)N)C(C)(C)C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 A12 compound treatment 1.191 0.46 4.76 1.106 0.359 3.83 6.0789 0.9942 3064998 Maybridge4_004236 Cn1c(SCc2ccc(cc2)C(F)(F)F)nnc1C(F)(F)F 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 A13 compound treatment 0.779 0.048 0.5 0.825 0.0778 0.83 0.9389 0.9699 3178384 Maybridge4_004237 Cc1n(CCSCc2c(F)cccc2Cl)c(c3ccccc3)c4cn[nH]c(=O)c14 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 A14 compound treatment 1.0 0.269 2.79 0.935 0.188 2.01 3.3883 0.987 1628717 Maybridge4_004238 NNC(=O)c1csc(Cc2c(Cl)cccc2Cl)n1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 A15 compound treatment 0.354 -0.377 -3.9 0.376 -0.371 -3.97 -5.5655 -1.0 3064999 Maybridge4_004239 CCN(CC)c1cnn(c2ccc(cc2)C(F)(F)F)c(=O)c1Cl 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 A16 compound treatment 0.746 0.015 0.16 0.72 -0.0273 -0.29 -0.096 -0.2909 1426168 Maybridge4_004240 NNC(=O)c1csc(COc2cc(Cl)cc(Cl)c2)n1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 A17 compound treatment 0.864 0.133 1.38 0.822 0.0747 0.8 1.5387 0.9664 1381395 Maybridge4_004241 COC(=O)c1ccc(o1)S(=O)(=O)NCc2ccco2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 A18 compound treatment 1.039 0.308 3.19 0.938 0.191 2.04 3.6966 0.9766 3065000 Maybridge4_004242 CC(C)n1c(S)nc2ccccc12 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 A19 compound treatment 0.816 0.085 0.88 0.803 0.0558 0.6 1.0436 0.9819 3065124 Maybridge4_004243 CC(C)(C)c1nnc(S)[nH]1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 A20 compound treatment 1.082 0.351 3.64 1.057 0.31 3.31 4.9105 0.9989 1241496 Maybridge4_004244 CC(C)(C)c1ccc(cc1)c2noc(CCn3c(=O)oc4ccccc34)n2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 A21 compound treatment 0.749 0.018 0.19 0.768 0.0208 0.22 0.2886 0.9963 3178385 Maybridge4_004245 CC(Oc1ccc(Cl)cc1Cl)/C(=N/O)/N 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 A22 compound treatment 0.816 0.085 0.88 0.821 0.0737 0.79 1.1796 0.9985 3178386 Maybridge4_004246 Cc1cc(no1)c2nnc(o2)c3ccc(Cl)cc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 A23 mock treatment 0.811 0.08 0.83 0.751 0.00375 0.04 0.6142 0.7404 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 A24 mock treatment 0.78 0.049 0.51 0.802 0.0548 0.58 0.7724 0.9975 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 B01 compound treatment 0.95 0.219 2.27 0.932 0.185 1.97 2.9995 0.9976 3065125 Maybridge4_004247 Cc1nc(sc1C(=O)Sc2ccc(C)cc2)c3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 B02 compound treatment 1.171 0.44 4.56 1.183 0.436 4.66 6.5141 0.9999 3178387 Maybridge4_004248 CCOC(=O)c1cc2c(NCc3ccc(Cl)cc3Cl)nccc2nc1C(F)(F)F 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 B03 compound treatment 0.946 0.215 2.23 0.909 0.162 1.73 2.7965 0.9921 3065126 Maybridge4_004249 NNC(=O)c1ccc(Oc2cc(Cl)cc(Cl)c2)o1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 B04 compound treatment 0.901 0.17 1.76 0.871 0.124 1.32 2.1798 0.99 3178388 Maybridge4_004250 CCOC(=O)c1cc(on1)c2ccnn2S(=O)(=O)c3cccc(c3)C(F)(F)F 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 B05 compound treatment 0.269 -0.462 -4.78 0.314 -0.433 -4.63 -6.6563 -0.9999 1700962 Maybridge4_004251 COC(=O)c1c(C)nn(C(=O)c2ccc(C)cc2)c1c3cc(C)on3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 B06 compound treatment 0.984 0.253 2.62 0.928 0.181 1.93 3.2183 0.9887 3178389 Maybridge4_004252 Cc1nc2ccccn2c1c3ccnc(S)n3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 B07 compound treatment 0.918 0.187 1.94 0.86 0.113 1.2 2.2212 0.9739 3065128 Maybridge4_004253 Cc1nc(cs1)c2c(C)onc2C(=O)NN 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 B08 compound treatment 1.13 0.399 4.13 1.128 0.381 4.07 5.7984 1.0 3178390 Maybridge4_004254 CC(O)c1cc(no1)c2ccc(Cl)cc2Cl 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 B09 compound treatment 0.042 -0.689 -7.14 0.043 -0.704 -7.52 -10.366 -0.9997 3065129 Maybridge4_004255 CN(C)/C=C/C(=O)c1csc(C)n1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 B10 compound treatment 1.118 0.387 4.01 1.104 0.357 3.81 5.5292 0.9997 3065175 Maybridge4_004256 Cc1onc(c1c2ccnn2C(=O)c3ccc(Cl)cc3)c4ccccc4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 B11 compound treatment 0.041 -0.69 -7.15 0.042 -0.705 -7.53 -10.3809 -0.9997 3178391 Maybridge4_004257 Cc1ccc(cc1)C(=O)Sc2ncc(cc2Cl)C(F)(F)F 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 B12 compound treatment 0.897 0.166 1.72 0.886 0.139 1.48 2.2639 0.9973 3065177 Maybridge4_004258 COC(OC)c1nc(SCC#N)c(C#N)cc1C(=O)OC 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 B13 compound treatment 0.509 -0.222 -2.3 0.523 -0.224 -2.4 -3.3199 -0.9998 3178392 Maybridge4_004259 Cc1nn(C(=O)c2ccc(Cl)cc2)c(C)c1Sc3nnc(n3C)C(F)(F)F 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 B14 compound treatment 0.552 -0.179 -1.85 0.538 -0.209 -2.24 -2.8916 -0.9957 3065178 Maybridge4_004260 Cc1nccc(n1)c2cc(no2)c3cccc(c3)C(F)(F)F 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 B15 compound treatment 0.935 0.204 2.11 0.905 0.158 1.69 2.6857 0.9937 3178393 Maybridge4_004261 FC(F)(F)c1ccc(cc1)n2ccc(=O)c(n2)C(=O)c3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 B16 compound treatment 0.535 -0.196 -2.03 0.497 -0.25 -2.67 -3.3259 -0.9908 3065180 Maybridge4_004262 Cc1noc2ncnc(SCC(=O)Nc3cc(Cl)cc(Cl)c3)c12 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 B17 compound treatment 1.117 0.386 4.0 1.027 0.28 2.99 4.9402 0.9897 3178394 Maybridge4_004263 Cn1c(SCC(=O)c2ccccc2)nnc1C(F)(F)F 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 B18 compound treatment 0.046 -0.685 -7.09 0.046 -0.701 -7.49 -10.314 -0.9996 1443847 Maybridge4_004264 COc1ccc(cc1)c2csc(n2)c3c(C)noc3N(C(=O)C)C(=O)C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 B19 compound treatment 0.804 0.073 0.76 0.703 -0.0442 -0.47 0.2003 0.2247 3065181 Maybridge4_004265 COCc1nc(SCC(=O)OC)c(C#N)cc1C(=O)OC 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 B20 compound treatment 0.912 0.181 1.87 0.862 0.115 1.23 2.1924 0.9788 3178395 Maybridge4_004266 Cn1c(SCC(=O)c2ccc(Cl)cc2)nnc1c3ncc(cc3Cl)C(F)(F)F 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 B21 compound treatment 1.397 0.666 6.9 1.414 0.667 7.12 9.9143 0.9999 3065182 Maybridge4_004267 Cc1ccc(CSc2cnc(C)nc2C)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 B22 compound treatment 0.885 0.154 1.59 0.836 0.0887 0.95 1.7983 0.9691 1614331 Maybridge4_004268 CSc1nc(COc2ccc(cc2)C(C)(C)C)nc(c1C#N)n3cccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 B23 mock treatment 0.817 0.086 0.89 0.802 0.0548 0.58 1.0434 0.9792 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 B24 mock treatment 0.781 0.05 0.52 0.757 0.00975 0.1 0.4398 0.8327 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 C01 compound treatment 1.297 0.566 5.86 1.306 0.559 5.97 8.366 1.0 3065184 Maybridge4_004269 COc1cc(/C=C(\C#N)/c2ccc(C)cc2)cc(OC)c1OC 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 C02 compound treatment 1.004 0.273 2.83 0.957 0.21 2.24 3.5838 0.9934 1173149 Maybridge4_004270 CN(C)C(=O)n1c(SCc2ccccc2)nnc1c3ccc(cc3)C(C)(C)C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 C03 compound treatment 0.625 -0.106 -1.1 0.703 -0.0442 -0.47 -1.1106 -0.9291 3065185 Maybridge4_004271 Cc1c(cc(c2ccccc2)n1CCSc3cc(nc4ccccc34)C(F)(F)F)C(=O)O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 C04 compound treatment 1.234 0.503 5.21 1.216 0.469 5.01 7.2248 0.9998 3178396 Maybridge4_004272 CN/C(=C(\C(=O)OC)/C(=O)c1ccc(Cl)cc1Cl)/C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 C05 compound treatment 0.976 0.245 2.54 0.986 0.239 2.55 3.5978 1.0 1218418 Maybridge4_004273 CCOC(=O)c1cc(n(c1C)c2ccc(cc2)N3CCOCC3)C(C)(C)C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 C06 compound treatment 1.199 0.468 4.85 1.188 0.441 4.71 6.7569 0.9999 3065186 Maybridge4_004274 CCOC(=O)c1cc(C)nn1C(=O)c2c(F)cccc2Cl 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 C07 compound treatment 0.888 0.157 1.63 0.897 0.15 1.6 2.281 1.0 3178397 Maybridge4_004275 CCOC(=O)Cc1csc(n1)c2ccc(Oc3ccc(cn3)C(F)(F)F)cc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 C08 compound treatment 0.928 0.197 2.04 0.872 0.125 1.33 2.3851 0.9787 3065189 Maybridge4_004276 C/N=c/1\scc(C)n1NC(=O)Nc2ccc(Cl)cc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 C09 compound treatment 1.137 0.406 4.2 1.093 0.346 3.69 5.5852 0.9979 1159039 Maybridge4_004277 CSCCn1c(C)c(cc1c2ccccc2)C(=O)N3CCCC3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 C10 compound treatment 0.918 0.187 1.94 0.875 0.128 1.36 2.3346 0.9853 3178398 Maybridge4_004278 CN(C)/C=N/c1sc(C)c(C)c1C(=O)c2ccc(Cl)cc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 C11 compound treatment 0.049 -0.682 -7.06 0.049 -0.698 -7.46 -10.2694 -0.9996 1508854 Maybridge4_004279 Cc1oc(cc1c2cc(N)n(n2)c3ccc(I)cc3)C(C)(C)C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 C12 compound treatment 0.72 -0.011 -0.11 0.75 0.00275 0.03 -0.0598 -0.5081 3178399 Maybridge4_004280 FC(F)(F)c1ccc(CS(=O)(=O)c2ccc(Cl)cc2)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 C13 compound treatment 1.135 0.404 4.18 1.146 0.399 4.26 5.971 1.0 3065228 Maybridge4_004281 CCOC(=O)c1c(C)n(c(C)c1S(=O)(=O)Nc2ccc(Cl)cc2)c3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 C14 compound treatment 0.862 0.131 1.36 0.813 0.0658 0.7 1.4561 0.953 1718696 Maybridge4_004282 NNC(=O)c1csc(CS(=O)(=O)c2ccc(Cl)cc2)n1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 C15 compound treatment 1.334 0.603 6.25 1.283 0.536 5.72 8.4633 0.9991 3065230 Maybridge4_004283 Clc1ccc(OCc2nc(CSc3cccs3)no2)c(Cl)c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 C16 compound treatment 1.453 0.722 7.48 1.465 0.718 7.67 10.7096 0.9999 3178400 Maybridge4_004284 CCOC(=O)c1csc(n1)c2cccs2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 C17 compound treatment 0.092 -0.639 -6.62 0.083 -0.664 -7.1 -9.6976 -0.9994 3178401 Maybridge4_004285 OC1(CC(=NN1)/C=C/c2ccc3OCOc3c2)C(F)(F)F 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 C18 compound treatment 0.042 -0.689 -7.14 0.042 -0.705 -7.53 -10.3735 -0.9996 3065232 Maybridge4_004286 CCn1nc(C)cc1C(=O)Sc2ccccc2Cl 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 C19 compound treatment 0.9 0.169 1.75 0.928 0.181 1.93 2.6031 0.9988 3065234 Maybridge4_004287 CC(C)(C)c1nnc(SCC=C)[nH]1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 C20 compound treatment 1.138 0.407 4.22 1.16 0.413 4.41 6.0987 0.9997 1140041 Maybridge4_004288 CCOC(=O)c1sc(nc1OCc2c(Cl)cccc2Cl)c3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 C21 compound treatment 1.108 0.377 3.9 1.038 0.291 3.11 4.9574 0.9936 3065235 Maybridge4_004289 FC(F)(F)c1cc(cc(c1)C(F)(F)F)c2nc(S)n[nH]2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 C22 compound treatment 0.811 0.08 0.83 0.822 0.0747 0.8 1.1506 0.9998 3178402 Maybridge4_004290 Oc1nnc(SCc2nnc(o2)c3ccc(Cl)cc3)n1C4CCCCC4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 C23 mock treatment 0.717 -0.014 -0.14 0.751 0.00375 0.04 -0.0742 -0.4933 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 C24 mock treatment 0.776 0.045 0.47 0.806 0.0588 0.63 0.7734 0.9893 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 D01 compound treatment 0.914 0.183 1.9 0.824 0.0767 0.82 1.92 0.9297 3178403 Maybridge4_004291 Cc1nc(sc1C(=O)Sc2ccc(Cl)cc2)c3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 D02 compound treatment 0.853 0.122 1.26 0.862 0.115 1.23 1.7603 0.9999 3065236 Maybridge4_004292 ON/C=N\c1nonc1c2cccnc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 D03 compound treatment 1.166 0.435 4.51 1.204 0.457 4.88 6.6361 0.9992 3178404 Maybridge4_004293 CC(C)(C)c1nnc(o1)c2ccc(Oc3cc(Cl)cc(Cl)c3)o2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 D04 compound treatment 1.119 0.388 4.02 1.126 0.379 4.05 5.7027 1.0 1440627 Maybridge4_004294 CCOC(=O)c1c(C)noc1c2csc(Nc3c(C)cc(C)cc3C)n2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 D05 compound treatment 0.895 0.164 1.7 0.856 0.109 1.16 2.0226 0.9828 3178405 Maybridge4_004295 FC(F)(F)Oc1ccc(cc1)c2noc(NC(=O)Nc3cccc(Cl)c3)n2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 D06 compound treatment 0.977 0.246 2.55 0.954 0.207 2.21 3.3634 0.9975 3065237 Maybridge4_004296 CCOC(=O)c1cc(on1)c2ccnn2S(=O)(=O)c3ccc(C)cc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 D07 compound treatment 0.853 0.122 1.26 0.817 0.0698 0.75 1.4204 0.9683 3178406 Maybridge4_004297 CC(C)(C)C(=O)CSc1nnc(o1)c2cc(OCC(F)(F)F)ccc2OCC(F)(F)F 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 D08 compound treatment 0.799 0.068 0.7 0.797 0.0498 0.53 0.8738 0.9904 1286523 Maybridge4_004298 Clc1cc(Cl)cc(OCc2nc(cs2)c3cc(no3)c4ccccc4)c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 D09 compound treatment 0.847 0.116 1.2 0.772 0.0248 0.26 1.0365 0.8426 3178492 Maybridge4_004299 Cc1cc(no1)c2onc(C)c2C(=O)NC(=O)Nc3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 D10 compound treatment 1.22 0.489 5.06 1.243 0.496 5.3 7.3262 0.9998 3065285 Maybridge4_004300 Cc1onc(c1c2ccnn2S(=O)(=O)c3ccc(Cl)cc3)c4ccccc4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 D11 compound treatment 1.0 0.269 2.79 0.996 0.249 2.66 3.8491 0.9997 3178493 Maybridge4_004301 Cc1ccc(CSc2ncc(cc2Cl)C(F)(F)F)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 D12 compound treatment 1.15 0.419 4.34 1.163 0.416 4.44 6.2092 0.9999 3065286 Maybridge4_004302 Cc1onc(c1c2ccnc(S)n2)c3ccc(Cl)cc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 D13 compound treatment 0.896 0.165 1.71 0.849 0.102 1.09 1.977 0.9761 3178494 Maybridge4_004303 Cc1cc(no1)C(=O)NN2C3CSC2CS3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 D14 compound treatment 0.893 0.162 1.68 0.831 0.0838 0.89 1.8191 0.9567 3178495 Maybridge4_004304 CC(=O)Nc1nccc(n1)c2cc(no2)c3cccc(c3)C(F)(F)F 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 D15 compound treatment 0.973 0.242 2.51 0.955 0.208 2.22 3.3417 0.9982 3065290 Maybridge4_004305 CN(C)C(=O)Oc1nc(nc(C)c1Oc2cccc(c2)C(F)(F)F)c3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 D16 compound treatment 0.559 -0.172 -1.78 0.495 -0.252 -2.69 -3.1652 -0.9798 3178496 Maybridge4_004306 Cc1noc2ncnc(SCc3ccc(Cl)cc3)c12 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 D17 compound treatment 0.71 -0.021 -0.22 0.703 -0.0442 -0.47 -0.4881 -0.9379 3065291 Maybridge4_004307 Cn1ccnc1SCC(=O)c2ccccc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 D18 compound treatment 0.104 -0.627 -6.49 0.11 -0.637 -6.81 -9.4058 -0.9997 1501067 Maybridge4_004308 CCOC(=O)c1cnc(COc2ccc(cc2)C(C)(C)C)nc1O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 D19 compound treatment 1.042 0.311 3.22 1.16 0.413 4.41 5.3956 0.9881 3065292 Maybridge4_004309 Cc1c(Sc2ccc(Cl)cc2)cnn1C(=O)Nc3cccc(c3)C(F)(F)F 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 D20 compound treatment 1.091 0.36 3.73 0.999 0.252 2.69 4.5382 0.9871 3178497 Maybridge4_004310 FC(F)(F)c1cnc(c2nnc(SCC#N)n2c3ccc(Cl)cc3)c(Cl)c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 D21 compound treatment 1.126 0.395 4.09 1.084 0.337 3.6 5.4367 0.9979 3178498 Maybridge4_004311 Cc1ccc(CSc2nc(C)c(Oc3cccc(c3)C(F)(F)F)c(=O)n2C)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 D22 compound treatment 1.371 0.64 6.63 1.381 0.634 6.77 9.4746 0.9999 3065294 Maybridge4_004312 FC(F)(F)C1CCN(CC1)C(=O)Nc2ccc(cc2)C(F)(F)F 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 D23 mock treatment 0.8 0.069 0.71 0.73 -0.0173 -0.18 0.375 0.5081 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 D24 mock treatment 0.687 -0.044 -0.46 0.73 -0.0173 -0.18 -0.4525 -0.9206 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 E01 compound treatment 1.136 0.405 4.19 1.089 0.342 3.65 5.5477 0.9976 3065295 Maybridge4_004313 CSc1scc(N)c1S(=O)(=O)C(C)C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 E02 compound treatment 0.942 0.211 2.19 0.87 0.123 1.31 2.4725 0.9702 3178499 Maybridge4_004314 Cc1cc(nn1C)C(=O)NN 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 E03 compound treatment 0.747 0.016 0.17 0.781 0.0338 0.36 0.3721 0.9378 3178500 Maybridge4_004315 Cc1c(cc(c2ccccc2)n1CCSCc3c(F)cccc3Cl)C(=O)O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 E04 compound treatment 0.25 -0.481 -4.98 0.256 -0.491 -5.25 -7.2336 -0.9997 3065296 Maybridge4_004316 C(Oc1ccc(cc1)C2SCCS2)c3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 E05 compound treatment 1.362 0.631 6.54 1.341 0.594 6.34 9.1065 0.9999 1532983 Maybridge4_004317 Clc1ccc(cc1Cl)c2csc(CC#N)n2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 E06 compound treatment 1.138 0.407 4.22 1.102 0.355 3.79 5.6605 0.9986 3178501 Maybridge4_004318 Cc1cc(CSc2cc(C)c(Cl)cc2C)no1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 E07 compound treatment 0.851 0.12 1.24 0.887 0.14 1.49 1.9345 0.9958 3178502 Maybridge4_004319 CC(C)OC(=O)Cc1csc(n1)c2ccc(Oc3ccc(cn3)C(F)(F)F)cc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 E08 compound treatment 0.386 -0.345 -3.57 0.319 -0.428 -4.58 -5.7617 -0.9925 3065298 Maybridge4_004320 C/N=c/1\scc(C)n1\N=C\c2c(Cl)cccc2Cl 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 E09 compound treatment 0.628 -0.103 -1.07 0.583 -0.164 -1.75 -1.9951 -0.9715 1516019 Maybridge4_004321 Cc1noc(C)c1c2nc(no2)c3c(Cl)cccc3Cl 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 E10 compound treatment 0.911 0.18 1.86 0.802 0.0548 0.58 1.7318 0.8864 1538780 Maybridge4_004322 NNC(=O)Cc1csc(n1)c2cccc(c2)n3cccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 E11 compound treatment 0.049 -0.682 -7.06 0.047 -0.7 -7.48 -10.2845 -0.9996 1280770 Maybridge4_004323 Cc1oc(cc1C(=O)N2CCC(O)(CC2)c3ccc(Cl)cc3)c4ccc(Cl)cc4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 E12 compound treatment 0.984 0.253 2.62 0.981 0.234 2.5 3.6187 0.9997 3065299 Maybridge4_004324 Clc1ccc(cc1)S(=O)(=O)Cc2nc(CSc3ccccn3)cs2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 E13 compound treatment 0.953 0.222 2.3 0.915 0.168 1.79 2.893 0.9924 1082796 Maybridge4_004325 CC(C)(C)C(=O)CN1C(=O)c2ccccc2C1=O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 E14 compound treatment 0.99 0.259 2.68 0.991 0.244 2.6 3.7381 0.9999 1345163 Maybridge4_004326 Clc1cccc(Cl)c1Cc2nc(NC(=O)NN3CCOCC3)cs2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 E15 compound treatment 0.79 0.059 0.61 0.761 0.0138 0.15 0.536 0.8528 3065350 Maybridge4_004327 FC(F)(F)Oc1ccc(/C=C/C(=O)Nc2ccc3[nH]cc(C#N)c3c2)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 E16 compound treatment 0.836 0.105 1.09 0.804 0.0568 0.61 1.1977 0.9619 3178503 Maybridge4_004328 NNC(=O)c1csc(n1)c2cccs2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 E17 compound treatment 0.802 0.071 0.74 0.746 -0.00125 -0.01 0.5105 0.6942 3178504 Maybridge4_004329 CC1=CSC2SC(=C(C)C21)C3=NNC(O)(C3)C(F)(F)F 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 E18 compound treatment 0.043 -0.688 -7.13 0.041 -0.706 -7.55 -10.3738 -0.9996 3065351 Maybridge4_004330 Cc1nc(COc2cccc(Cl)c2)sc1c3ccnn3C(=O)C=C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 E19 compound treatment 0.811 0.08 0.83 0.802 0.0548 0.58 0.9995 0.9855 3178505 Maybridge4_004331 CC(C)(C)c1nc2scc(c3ccc(Cl)cc3)n2n1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 E20 compound treatment 0.06 -0.671 -6.95 0.043 -0.704 -7.52 -10.2342 -0.9992 1595891 Maybridge4_004332 Clc1ccc(SC(=O)CCn2c(=O)oc3ccccc23)c(Cl)c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 E21 compound treatment 0.577 -0.154 -1.59 0.574 -0.173 -1.85 -2.4366 -0.9973 3178506 Maybridge4_004333 NNC(=O)c1nc(no1)c2ccccc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 E22 compound treatment 0.823 0.092 0.95 0.814 0.0668 0.71 1.178 0.9898 3065354 Maybridge4_004334 Cc1nc(cs1)C(=S)N 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 E23 mock treatment 0.741 0.01 0.1 0.707 -0.0403 -0.43 -0.2308 -0.5219 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 E24 mock treatment 0.802 0.071 0.74 0.748 7.5E-4 0.01 0.5256 0.7148 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 F01 compound treatment 0.1 -0.631 -6.54 0.091 -0.656 -7.01 -9.5786 -0.9994 1669430 Maybridge4_004335 Cc1c(C(=O)Oc2ccc(Cl)cc2)n(C)oc1=O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 F02 compound treatment 0.922 0.191 1.98 0.907 0.16 1.71 2.6056 0.9973 1470635 Maybridge4_004336 CCOC(=O)c1cc(on1)c2csc(CS(=O)(=O)C)n2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 F03 compound treatment 0.102 -0.629 -6.51 0.099 -0.648 -6.93 -9.5035 -0.9995 3178507 Maybridge4_004337 FC(F)(F)c1ccnc(Oc2ccc(cc2)C3=NCCS3)c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 F04 compound treatment 0.984 0.253 2.62 0.967 0.22 2.35 3.5129 0.9985 3065356 Maybridge4_004338 Cc1n[nH]c(=O)c2nc(sc12)c3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 F05 compound treatment 0.923 0.192 1.99 0.882 0.135 1.44 2.4241 0.9874 3178508 Maybridge4_004339 FC(F)(F)Oc1ccc(cc1)c2noc(NC(=O)NN3CCCCC3)n2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 F06 compound treatment 1.026 0.295 3.06 0.961 0.214 2.28 3.7752 0.9897 3178509 Maybridge4_004340 Cc1nc2ccccn2c1c3ccnc(SCC(=O)c4ccc(Cl)cc4)n3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 F07 compound treatment 0.909 0.178 1.84 0.826 0.0788 0.84 1.8985 0.9369 3065357 Maybridge4_004341 Cc1nnsc1c2onc(C)c2C(=O)N 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 F08 compound treatment 0.586 -0.145 -1.5 0.6 -0.147 -1.57 -2.1743 -0.9997 3065359 Maybridge4_004342 Cc1nc2ccccn2c1c3ccnn3C(=O)c4ccc(cc4)C(F)(F)F 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 F09 compound treatment 1.083 0.352 3.65 1.022 0.275 2.94 4.6534 0.9942 1733300 Maybridge4_004343 Sc1nccc(n1)c2csc(COc3ccccc3Cl)n2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 F10 compound treatment 1.23 0.499 5.17 1.25 0.503 5.37 7.4523 0.9998 3178510 Maybridge4_004344 Cc1onc(c1c2csc(Nc3ccccc3Cl)n2)c4ccccc4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 F11 compound treatment 1.212 0.481 4.98 1.248 0.501 5.35 7.3054 0.9994 3178511 Maybridge4_004345 COC(=O)c1sccc1NC(=O)C2CCCS2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 F12 compound treatment 0.853 0.122 1.26 0.819 0.0717 0.77 1.4355 0.9713 3065409 Maybridge4_004346 COC(OC)c1c(cnn1C(=O)Nc2ccccc2)C(=O)OC 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 F13 compound treatment 0.887 0.156 1.62 0.876 0.129 1.38 2.1151 0.9968 3178512 Maybridge4_004347 CCOC(=O)c1nn(cc(Sc2nnc(n2C)C(F)(F)F)c1=O)c3ccc(cc3)C(F)(F)F 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 F14 compound treatment 1.239 0.508 5.26 1.274 0.527 5.63 7.6995 0.9994 3065410 Maybridge4_004348 Cc1cc(no1)c2c(C(=O)Sc3ccccc3)c(C)nn2c4ccccc4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 F15 compound treatment 1.005 0.274 2.84 0.94 0.193 2.06 3.4627 0.9876 3178513 Maybridge4_004349 CN(C)C(=O)Oc1nc(nc(C)c1Oc2ccc(Cl)cc2Cl)c3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 F16 compound treatment 0.514 -0.217 -2.25 0.553 -0.194 -2.08 -3.0566 -0.9992 3065413 Maybridge4_004350 Cc1noc2ncnc(SCc3ccc(cc3)C(F)(F)F)c12 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 F17 compound treatment 0.953 0.222 2.3 0.926 0.179 1.91 2.9761 0.9957 1122678 Maybridge4_004351 Cn1ccnc1Sc2cnc(SCc3ccc(Cl)cc3)nc2c4ccccc4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 F18 compound treatment 0.739 0.008 0.08 0.716 -0.0313 -0.33 -0.1775 -0.516 1056664 Maybridge4_004352 NC(=O)COc1ccc(Cl)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 F19 compound treatment 1.411 0.68 7.04 1.409 0.662 7.07 9.979 1.0 3178514 Maybridge4_004353 COC(OC)c1ccc(C#N)c(SCc2ccc(Cl)cc2)n1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 F20 compound treatment 1.052 0.321 3.32 1.069 0.322 3.44 4.7814 0.9999 3065416 Maybridge4_004354 Cc1ccc(/N=C/c2c(Sc3ccc(Cl)cc3)nc4sccn24)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 F21 compound treatment 0.068 -0.663 -6.87 0.06 -0.687 -7.34 -10.0471 -0.9994 3178515 Maybridge4_004355 COc1ccc(C/N=C/c2ccnc(SCc3ccc(Cl)cc3Cl)n2)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 F22 compound treatment 0.771 0.04 0.41 0.734 -0.0133 -0.14 0.1928 0.4405 1543403 Maybridge4_004356 CC(C)(C)c1ccc(OCc2ncc(c(N)n2)S(=O)(=O)c3ccccc3)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 F23 mock treatment 0.822 0.091 0.94 0.787 0.0398 0.42 0.9667 0.9352 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 F24 mock treatment 0.71 -0.021 -0.22 0.724 -0.0233 -0.25 -0.3294 -0.9978 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 G01 compound treatment 0.965 0.234 2.42 0.93 0.183 1.95 3.0942 0.9943 3065419 Maybridge4_004357 CCOC(=O)c1cc(oc1C(F)(F)F)c2ccc(Cl)cc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 G02 compound treatment 0.901 0.17 1.76 0.886 0.139 1.48 2.2931 0.9963 3178592 Maybridge4_004358 NNC(=O)Cc1csc2nc(nn12)c3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 G03 compound treatment 1.315 0.584 6.05 1.329 0.582 6.21 8.6716 0.9999 1715416 Maybridge4_004359 CCOC(=O)c1cc(c2ccccc2)n(CCNC(=O)OC(C)(C)C)c1C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 G04 compound treatment 0.879 0.148 1.53 0.857 0.11 1.17 1.913 0.9912 3178593 Maybridge4_004360 Cc1n[nH]c(c2cccs2)c1C(=O)NN 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 G05 compound treatment 0.938 0.207 2.14 0.928 0.181 1.93 2.8814 0.9986 1728275 Maybridge4_004361 Cc1ccc(cc1)c2csc(CS(=O)(=O)C(C)(C)C)n2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 G06 compound treatment 1.192 0.461 4.77 1.173 0.426 4.55 6.5924 0.9997 3178594 Maybridge4_004362 NNC(=O)c1cc(CSc2ccc(Cl)cc2)on1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 G07 compound treatment 0.948 0.217 2.25 0.94 0.193 2.06 3.0453 0.999 1526465 Maybridge4_004363 CC(C)(C)S(=O)(=O)Cc1nc(cs1)c2cccc(F)c2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 G08 compound treatment 0.092 -0.639 -6.62 0.093 -0.654 -6.99 -9.6221 -0.9996 3065422 Maybridge4_004364 Clc1ccc(CSc2ncc([nH]2)c3ccc(Cl)cc3)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 G09 compound treatment 0.798 0.067 0.69 0.843 0.0958 1.02 1.214 0.9821 1241834 Maybridge4_004365 Fc1ccc(CS(=O)(=O)Cc2noc(n2)c3ccno3)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 G10 compound treatment 0.447 -0.284 -2.94 0.495 -0.252 -2.69 -3.9854 -0.999 3064623 Maybridge4_004366 Cc1ccc(cc1)C(=O)CSc2nc(n[nH]2)C(F)(F)F 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 G11 compound treatment 1.118 0.387 4.01 1.106 0.359 3.83 5.5443 0.9997 3178595 Maybridge4_004367 Fc1ccc2[nH]c3CN(CCc3c2c1)S(=O)(=O)c4ccc(s4)c5cc(on5)C(F)(F)F 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 G12 compound treatment 1.231 0.5 5.18 1.202 0.455 4.86 7.097 0.9995 3064626 Maybridge4_004368 CCOC(=O)c1sc(SCC(=O)c2ccc(Cl)cc2Cl)nc1C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 G13 compound treatment 1.284 0.553 5.73 1.277 0.53 5.66 8.0518 1.0 1519116 Maybridge4_004369 CCOC(=O)c1c(C)n(c(c1S(=O)(=O)NCc2ccccc2)c3ccccc3)c4ccccc4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 G14 compound treatment 0.814 0.083 0.86 0.812 0.0648 0.69 1.097 0.9942 3064627 Maybridge4_004370 N/C(=N\O)/CS(=O)(=O)Cc1ccc(F)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 G15 compound treatment 0.074 -0.657 -6.8 0.073 -0.674 -7.2 -9.905 -0.9996 3178596 Maybridge4_004371 OC1(CC(=NN1)C2(CC3CC4CC(C3)C2)C4)C(F)(F)F 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 G16 compound treatment 0.86 0.129 1.34 0.776 0.0288 0.31 1.1619 0.8476 3064629 Maybridge4_004372 Cc1nc(CSc2nnc([nH]2)C(C)(C)C)cs1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 G17 compound treatment 0.999 0.268 2.78 0.97 0.223 2.38 3.6454 0.9971 3178597 Maybridge4_004373 CN1N=C(CC1(O)C(F)(F)F)c2coc3ccccc23 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 G18 compound treatment 0.82 0.089 0.92 0.827 0.0798 0.85 1.2542 0.9992 1698546 Maybridge4_004374 CC(C)n1c(SCC(=O)O)nc2cc(Cl)ccc12 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 G19 compound treatment 0.478 -0.253 -2.62 0.445 -0.302 -3.23 -4.1361 -0.9946 2121946 Maybridge4_004375 FC(F)(F)c1n[nH]c(SCc2ccc(Cl)cc2)n1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 G20 compound treatment 0.05 -0.681 -7.05 0.046 -0.701 -7.49 -10.2847 -0.9995 3064630 Maybridge4_004376 FC(F)(F)c1ccc(SC(=O)CCn2c(=O)oc3ccccc23)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 G21 compound treatment 1.38 0.649 6.72 1.394 0.647 6.91 9.6387 0.9999 3178598 Maybridge4_004377 CSc1nc(nn1C(=O)N(C)C)c2ccc(Cl)cc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 G22 compound treatment 1.055 0.324 3.36 1.016 0.269 2.87 4.403 0.997 1190557 Maybridge4_004378 Fc1ccc(cc1)n2ccc(=O)c(n2)c3cc[nH]n3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 G23 mock treatment 0.673 -0.058 -0.6 0.665 -0.0822 -0.88 -1.0461 -0.9828 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 G24 mock treatment 0.708 -0.023 -0.24 0.743 -0.00425 -0.05 -0.2005 -0.827 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 H01 compound treatment 1.148 0.417 4.32 1.091 0.344 3.67 5.6507 0.9967 3178599 Maybridge4_004379 FC(F)(F)c1ccc(Cn2c(=O)oc3ccccc23)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 H02 compound treatment 0.123 -0.608 -6.3 0.1 -0.647 -6.91 -9.3422 -0.9989 3178600 Maybridge4_004380 FC(F)(F)c1ccc(cc1)c2nc(cs2)C(=O)/C=C/N3CCOCC3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 H03 compound treatment 0.857 0.126 1.3 0.823 0.0757 0.81 1.495 0.9736 1643215 Maybridge4_004381 Cc1cc(C(=O)NN)n(n1)C(C)(C)C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 H04 compound treatment 0.816 0.085 0.88 0.824 0.0767 0.82 1.2023 0.9994 3064634 Maybridge4_004382 Cc1nc2c(=O)n(nc(C)c2s1)c3cc(ccc3Cl)C(F)(F)F 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 H05 compound treatment 0.861 0.13 1.35 0.8 0.0528 0.56 1.3505 0.9253 3178601 Maybridge4_004383 Cc1nc(nc(O)c1Cl)c2ccccc2OC(F)(F)F 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 H06 compound treatment 0.79 0.059 0.61 0.751 0.00375 0.04 0.4604 0.7519 3178602 Maybridge4_004384 Cc1nc2ccccn2c1c3ccnc(SCC(=O)c4cccc(c4)C(F)(F)F)n3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 H07 compound treatment 0.918 0.187 1.94 0.887 0.14 1.49 2.4252 0.9917 3064670 Maybridge4_004385 CC(C)(C)c1csc(n1)c2ccc(OC(F)(F)F)cc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 H08 compound treatment 0.67 -0.061 -0.63 0.699 -0.0483 -0.52 -0.8112 -0.9949 1738969 Maybridge4_004386 Cc1nc2ccccn2c1c3ccnn3C(=O)c4ccc(Cl)cc4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 H09 compound treatment 0.652 -0.079 -0.82 0.633 -0.114 -1.22 -1.4416 -0.9811 3064672 Maybridge4_004387 CCOC(=O)c1c(Sc2ccccc2)cnn1C(=O)c3ccc(cc3)C(F)(F)F 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 H10 compound treatment 1.329 0.598 6.19 1.341 0.594 6.34 8.8648 0.9999 3178603 Maybridge4_004388 O=C(c1ccno1)n2nccc2c3cc(no3)c4ccccc4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 H11 compound treatment 1.324 0.593 6.14 1.346 0.599 6.4 8.8659 0.9998 3064674 Maybridge4_004389 CCOC(=O)c1[nH]ncc1Sc2ccc(Cl)cc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 H12 compound treatment 0.042 -0.689 -7.14 0.042 -0.705 -7.53 -10.3735 -0.9996 3178604 Maybridge4_004390 CCOC(=O)c1cc(nn1C(=O)C)c2ccc(Cl)s2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 H13 compound treatment 0.962 0.231 2.39 0.961 0.214 2.28 3.3065 0.9997 1154209 Maybridge4_004391 CCOC(=O)c1nn(cc(Sc2ccc(Cl)cc2)c1=O)c3cccc(Cl)c3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 H14 compound treatment 1.084 0.353 3.66 1.031 0.284 3.03 4.7287 0.9957 3064675 Maybridge4_004392 Cc1cc(no1)c2nc(cs2)c3ccnn3C(=O)Nc4cccc(Cl)c4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 H15 compound treatment 0.487 -0.244 -2.53 0.49 -0.257 -2.75 -3.7303 -0.9991 1612205 Maybridge4_004393 Cc1nc(C)c(Oc2ccc(Cl)cc2Cl)c(n1)N3CCCCC3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 H16 compound treatment 0.79 0.059 0.61 0.79 0.0428 0.46 0.755 0.9897 3064677 Maybridge4_004394 Cc1nc(nc(Sc2ccccc2Cl)c1Oc3ccccc3)C(F)(F)F 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 H17 compound treatment 0.961 0.23 2.38 0.886 0.139 1.48 2.7326 0.9739 1277240 Maybridge4_004395 Cn1ccnc1Sc2cnc(SCC(=O)c3ccc(Cl)cc3)nc2c4ccccc4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 H18 compound treatment 0.887 0.156 1.62 0.836 0.0887 0.95 1.8129 0.9677 3178605 Maybridge4_004396 COC(OC)c1nc(SCC(=O)Nc2ccc(cc2)C(C)C)ncc1C(=O)O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 H19 compound treatment 0.826 0.095 0.98 0.784 0.0368 0.39 0.9734 0.9188 1575021 Maybridge4_004397 Cc1onc2c(=O)n(nc(C)c12)c3ccc(C)cc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 H20 compound treatment 0.917 0.186 1.93 0.91 0.163 1.74 2.5916 0.9987 1613403 Maybridge4_004398 CCOC(=O)c1cnc(nc1Nc2ccc(C)cc2)c3cccs3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 H21 compound treatment 0.058 -0.673 -6.97 0.059 -0.688 -7.35 -10.1279 -0.9996 3178606 Maybridge4_004399 COc1ccccc1CC/N=C/c2ccnc(SCc3ccc(Cl)cc3Cl)n2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 H22 compound treatment 1.181 0.45 4.66 1.167 0.42 4.48 6.4665 0.9998 3064678 Maybridge4_004400 FC(F)(F)COc1ccc(cn1)c2nc(cs2)c3ccc(Cl)cc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 H23 mock treatment 0.766 0.035 0.36 0.78 0.0328 0.35 0.5037 0.9998 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 H24 mock treatment 0.698 -0.033 -0.34 0.679 -0.0682 -0.73 -0.7573 -0.9404 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 I01 compound treatment 0.083 -0.648 -6.71 0.077 -0.67 -7.16 -9.8089 -0.9995 1124762 Maybridge4_004401 Cc1oc(cc1COC(=O)Nc2ccccc2)c3ccc(Cl)cc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 I02 compound treatment 1.407 0.676 7.0 1.405 0.658 7.03 9.9195 1.0 3064679 Maybridge4_004402 Oc1nnc(SCC=C)n1c2ccc(Cl)cc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 I03 compound treatment 0.862 0.131 1.36 0.842 0.0948 1.01 1.6751 0.9896 3178607 Maybridge4_004403 Cc1ccc(cc1)c2csc(n2)c3ccc(cc3)C(F)(F)F 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 I04 compound treatment 0.129 -0.602 -6.23 0.126 -0.621 -6.64 -9.1018 -0.9995 3178608 Maybridge4_004404 O=C(Oc1ccc2ccccc2c1C3SCCS3)c4cccs4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 I05 compound treatment 1.011 0.28 2.9 0.93 0.183 1.95 3.4311 0.9815 3064680 Maybridge4_004405 Fc1cccc(c1)c2csc(COc3ccccc3Cl)n2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 I06 compound treatment 1.019 0.288 2.98 0.954 0.207 2.21 3.671 0.9891 3064719 Maybridge4_004406 CCOC(=O)c1cc(COc2c(Cl)cccc2Cl)on1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 I07 compound treatment 1.394 0.663 6.87 1.386 0.639 6.82 9.6808 1.0 1539274 Maybridge4_004407 COc1ccc(cc1OC)c2nc(CS(=O)(=O)c3ccc(F)cc3)no2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 I08 compound treatment 0.958 0.227 2.35 0.881 0.134 1.43 2.6728 0.9715 3064721 Maybridge4_004408 COC(=O)c1c(C)n[nH]c1c2snnc2C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 I09 compound treatment 1.162 0.431 4.46 1.129 0.382 4.08 6.0403 0.999 3178609 Maybridge4_004409 Cc1c(cc(c2ccccc2)n1CCSCc3c(F)cccc3Cl)C(=O)NCc4ccco4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 I10 compound treatment 1.175 0.444 4.6 1.05 0.303 3.23 5.5387 0.9852 3064722 Maybridge4_004410 FC(F)(F)c1ccccc1c2ncc(o2)c3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 I11 compound treatment 0.885 0.154 1.59 0.835 0.0877 0.94 1.7907 0.9679 3178610 Maybridge4_004411 COC(=O)C1SCCN1S(=O)(=O)c2ccc(s2)c3cc(on3)C(F)(F)F 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 I12 compound treatment 1.315 0.584 6.05 1.281 0.534 5.7 8.309 0.9996 3064724 Maybridge4_004412 CCOC(=O)c1sc(COc2ccc(cc2)C3SCCS3)nc1C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 I13 compound treatment 0.858 0.127 1.32 0.824 0.0767 0.82 1.5099 0.9741 3178611 Maybridge4_004413 CCOC(=O)c1c(C)oc(c1S(=O)(=O)NCc2ccccc2)c3ccc(Cl)cc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 I14 compound treatment 1.075 0.344 3.56 0.987 0.24 2.56 4.3304 0.9869 1359873 Maybridge4_004414 CCOC(=O)c1sc(COc2ccc(cc2)C(C)(C)C)nc1C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 I15 compound treatment 0.875 0.144 1.49 0.944 0.197 2.1 2.5409 0.9859 1719811 Maybridge4_004415 COC(=O)c1cc(oc1C)S(=O)(=O)N2CCOCC2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 I16 compound treatment 1.083 0.352 3.65 1.034 0.287 3.06 4.7441 0.9963 3064726 Maybridge4_004416 Fc1ccc(NC(=O)Nc2csc(n2)c3cccs3)c(F)c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 I17 compound treatment 1.018 0.287 2.97 1.004 0.257 2.74 4.0414 0.9992 3178696 Maybridge4_004417 CCOC(=O)c1cc(C)nc(Sc2ccccn2)c1C#N 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 I18 compound treatment 0.867 0.136 1.41 0.812 0.0648 0.69 1.4851 0.9464 1015446 Maybridge4_004418 NNS(=O)(=O)c1ccc(Cl)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 I19 compound treatment 0.733 0.002 0.02 0.738 -0.00925 -0.1 -0.0552 -0.547 3178697 Maybridge4_004419 CSc1nnc(c2ccc(cc2)C(C)(C)C)n1C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 I20 compound treatment 1.317 0.586 6.07 1.337 0.59 6.3 8.7467 0.9998 3064729 Maybridge4_004420 CC(C)n1c(SCC(=O)c2ccc(C)cc2)nc3cc(ccc13)C(F)(F)F 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 I21 compound treatment 0.999 0.268 2.78 1.031 0.284 3.03 4.1062 0.999 3178698 Maybridge4_004421 CSc1n[nH]c(=O)n1C2CCCCC2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 I22 compound treatment 1.02 0.289 2.99 0.849 0.102 1.09 2.8851 0.906 1629116 Maybridge4_004422 Fc1ccc(cc1)n2ccc(=O)c(n2)c3ccnc(S)n3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 I23 mock treatment 0.711 -0.02 -0.21 0.715 -0.0323 -0.34 -0.3901 -0.9704 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 I24 mock treatment 0.722 -0.009 -0.09 0.757 0.00975 0.1 0.0077 0.0554 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 J01 compound treatment 1.117 0.386 4.0 1.005 0.258 2.75 4.774 0.9834 3064730 Maybridge4_004423 Cc1cc(C)c(C#N)c(SCc2nc(no2)c3ccc(OC(F)(F)F)cc3)n1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 J02 compound treatment 0.153 -0.578 -5.99 0.147 -0.6 -6.41 -8.7674 -0.9994 3178699 Maybridge4_004424 COC(=O)c1noc(C)c1C(=O)/C=C/N2CCCCC2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 J03 compound treatment 0.74 0.009 0.09 0.736 -0.0113 -0.12 -0.0191 -0.1254 1578491 Maybridge4_004425 CC(C)(C)c1cc(no1)C(=O)NN 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 J04 compound treatment 0.67 -0.061 -0.63 0.721 -0.0262 -0.28 -0.645 -0.9332 1270914 Maybridge4_004426 Cc1cc(no1)c2nc(cs2)C(=O)N3CCCCC3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 J05 compound treatment 0.706 -0.025 -0.26 0.75 0.00275 0.03 -0.1623 -0.6229 1517245 Maybridge4_004427 CN(C)C(=O)c1noc(C)c1c2cc[nH]c(=S)n2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 J06 compound treatment 0.953 0.222 2.3 0.868 0.121 1.29 2.538 0.9627 1241417 Maybridge4_004428 CC(C)c1ccc(NC(=O)CSc2nccc(n2)c3c(C)nc4ccccn34)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 J07 compound treatment 0.741 0.01 0.1 0.718 -0.0293 -0.31 -0.1477 -0.4487 3064781 Maybridge4_004429 FC(F)(F)Oc1ccccc1c2nnc(o2)c3ccccc3Cl 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 J08 compound treatment 0.829 0.098 1.01 0.814 0.0668 0.71 1.222 0.9851 1319855 Maybridge4_004430 Cc1nc2ccccn2c1c3ccnn3C(=O)c4ccno4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 J09 compound treatment 1.128 0.397 4.11 1.133 0.386 4.12 5.8215 1.0 3178700 Maybridge4_004431 Clc1ccccc1OCc2nc(cs2)c3ccnc(SCC(=O)c4ccccc4)n3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 J10 compound treatment 0.883 0.152 1.57 0.897 0.15 1.6 2.2444 1.0 3178701 Maybridge4_004432 FC(F)(F)c1ccc(cc1)S(=O)(=O)n2nccc2c3cc(no3)c4ccccc4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 J11 compound treatment 1.144 0.413 4.28 1.12 0.373 3.98 5.8405 0.9994 3064782 Maybridge4_004433 FC(F)(F)c1cccnc1SCc2ccc(Cl)cc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 J12 compound treatment 0.856 0.125 1.29 0.82 0.0727 0.78 1.465 0.9702 1133437 Maybridge4_004434 COC(OC)c1nc2sc(C(=O)OC)c(N)c2cc1C(=O)OC 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 J13 compound treatment 0.162 -0.569 -5.89 0.19 -0.557 -5.95 -8.3767 -1.0 3178702 Maybridge4_004435 CN(C)/C=C(\Sc1ccc(cn1)C(F)(F)F)/C(=O)c2ccc(C)cc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 J14 compound treatment 0.906 0.175 1.81 0.949 0.202 2.16 2.8057 0.9963 3178703 Maybridge4_004436 Cc1cc(no1)c2nc(cs2)c3ccnn3S(=O)(=O)c4cccc(c4)C(F)(F)F 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 J15 compound treatment 0.806 0.075 0.78 0.85 0.103 1.1 1.3255 0.9857 3064785 Maybridge4_004437 Cc1nc(C)c(Oc2ccc(Cl)cc2Cl)c(O)n1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 J16 compound treatment 0.988 0.257 2.66 0.989 0.242 2.58 3.7084 0.9999 3064786 Maybridge4_004438 COC(=O)c1c(C)nn(c1c2snnc2C)c3ccc(OC(F)(F)F)cc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 J17 compound treatment 0.902 0.171 1.77 0.868 0.121 1.29 2.1645 0.9879 3178704 Maybridge4_004439 Cc1cc(no1)c2noc(n2)c3cc(C)on3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 J18 compound treatment 0.813 0.082 0.85 0.874 0.127 1.35 1.558 0.9747 3064787 Maybridge4_004440 CSc1[nH]c(=O)[nH]c(=O)c1C#N 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 J19 compound treatment 0.957 0.226 2.34 0.912 0.165 1.76 2.8997 0.9901 3178705 Maybridge4_004441 O/N=C/c1ccnc(SCc2ccc(Cl)cc2)n1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 J20 compound treatment 0.884 0.153 1.58 0.847 0.0998 1.07 1.874 0.9814 1443040 Maybridge4_004442 CCOC(=O)c1cnc(nc1Nc2ccc(Cl)cc2)c3cccs3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 J21 compound treatment 0.74 0.009 0.09 0.77 0.0227 0.24 0.2378 0.9134 1496600 Maybridge4_004443 CN(C)C(=O)Oc1nc(NC(=O)C)nc(C)c1Oc2ccccc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 J22 compound treatment 0.948 0.217 2.25 0.965 0.218 2.33 3.2341 0.9999 1705322 Maybridge4_004444 Cc1nc(COc2ccc(cc2)C(C)(C)C)ncc1S(=O)(=O)c3ccc(Cl)cc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 J23 mock treatment 0.795 0.064 0.66 0.79 0.0428 0.46 0.7916 0.9835 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 J24 mock treatment 0.677 -0.054 -0.56 0.772 0.0248 0.26 -0.2085 -0.337 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 K01 compound treatment 1.085 0.354 3.67 1.067 0.32 3.42 5.008 0.9994 3064790 Maybridge4_004445 FC(F)(F)c1oc(cc1COC(=O)Nc2ccccc2)c3ccc(Cl)cc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 K02 compound treatment 1.158 0.427 4.42 1.017 0.27 2.88 5.1649 0.9785 3178706 Maybridge4_004446 CSc1nnc(c2ccc(cc2)C(C)(C)C)n1Cc3ccco3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 K03 compound treatment 0.749 0.018 0.19 0.808 0.0608 0.65 0.5907 0.8748 3064791 Maybridge4_004447 FC(F)(F)c1ccc(cc1)c2nc(cs2)c3ccc(C#N)cc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 K04 compound treatment 1.055 0.324 3.36 0.976 0.229 2.44 4.1009 0.9879 3065620 Maybridge4_004448 CC(C)(C)c1nnc(SCc2nc(no2)c3cccc(c3)n4cccc4)[nH]1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 K05 compound treatment 1.104 0.373 3.86 1.08 0.333 3.55 5.2453 0.9991 3065621 Maybridge4_004449 FC(F)(F)c1ccc(cc1)c2csc(CS(=O)(=O)Cc3cccc(c3)C(F)(F)F)n2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 K06 compound treatment 0.713 -0.018 -0.19 0.708 -0.0393 -0.42 -0.4283 -0.9334 3065622 Maybridge4_004450 NNC(=O)c1cc(COc2c(Cl)cccc2Cl)on1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 K07 compound treatment 0.435 -0.296 -3.07 0.46 -0.287 -3.07 -4.3377 -1.0 1292280 Maybridge4_004451 CC1(C)CCC(C)(C)c2cc(ccc21)c3csc(CC#N)n3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 K08 compound treatment 0.753 0.022 0.23 0.734 -0.0133 -0.14 0.061 0.2275 3065623 Maybridge4_004452 COC(=O)c1c(C)nn(C(=O)c2cccs2)c1c3snnc3C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 K09 compound treatment 0.906 0.175 1.81 0.895 0.148 1.58 2.3978 0.9976 3065624 Maybridge4_004453 Cc1ccc(NC(=O)c2cc3cc(OC(F)(F)F)ccc3[nH]2)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 K10 compound treatment 0.988 0.257 2.66 0.979 0.232 2.48 3.6328 0.9993 3065625 Maybridge4_004454 Clc1cc(Cl)cc(OCc2nn[nH]n2)c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 K11 compound treatment 0.734 0.003 0.03 0.728 -0.0193 -0.21 -0.1234 -0.5935 3178707 Maybridge4_004455 CC1(C)C(NS(=O)(=O)c2ccc(s2)c3cc(on3)C(F)(F)F)[C@@]4(C)CCC1C4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 K12 compound treatment 0.967 0.236 2.44 0.952 0.205 2.19 3.2751 0.9985 3065626 Maybridge4_004456 Oc1nnc(S)n1Cc2ccccc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 K13 compound treatment 0.856 0.125 1.29 0.861 0.114 1.22 1.7747 0.9995 1404401 Maybridge4_004457 Cc1cc(C)c2cc([nH]c2c1)C(=O)Nc3ccccc3Cl 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 K14 compound treatment 0.504 -0.227 -2.35 0.595 -0.152 -1.63 -2.8126 -0.9838 1365668 Maybridge4_004458 Cc1nc(COc2ccc(cc2)C(C)(C)C)sc1C(=O)NN 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 K15 compound treatment 0.577 -0.154 -1.59 0.396 -0.351 -3.75 -3.7812 -0.9274 3065627 Maybridge4_004459 Cc1c(sc2ccccc12)C3=NNC(O)(C3)C(F)(F)F 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 K16 compound treatment 0.757 0.026 0.27 0.775 0.0278 0.3 0.4 0.9988 1324032 Maybridge4_004460 NC(=S)CS(=O)(=O)c1ccccn1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 K17 compound treatment 0.783 0.052 0.54 0.786 0.0388 0.41 0.6735 0.9916 1539758 Maybridge4_004461 CN(C)C(=O)Nc1c(C)onc1c2c(Cl)cccc2Cl 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 K18 compound treatment 1.131 0.4 4.14 1.093 0.346 3.69 5.5413 0.9984 3065628 Maybridge4_004462 CCOC(=O)CSc1nc2cc(Cl)c(Cl)cc2n1CC 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 K19 compound treatment 0.789 0.058 0.6 0.86 0.113 1.2 1.2765 0.9484 1230780 Maybridge4_004463 Cc1cc(NC(=O)NN2CCOCC2)nn1c3c(Cl)cccc3Cl 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 K20 compound treatment 0.21 -0.521 -5.4 0.222 -0.525 -5.61 -7.7834 -0.9998 3065629 Maybridge4_004464 CCOC(=O)c1sc(nc1OC(=O)c2ccc(cc2)C(F)(F)F)c3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 K21 compound treatment 1.331 0.6 6.21 1.357 0.61 6.51 9.0003 0.9997 3178708 Maybridge4_004465 Clc1cccc(c1)n2c(SCC=C)n[nH]c2=O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 K22 compound treatment 0.776 0.045 0.47 0.778 0.0308 0.33 0.5619 0.9853 3065630 Maybridge4_004466 NNC(=O)Cc1cc(Br)sc1Br 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 K23 mock treatment 0.619 -0.112 -1.16 0.66 -0.0872 -0.93 -1.4793 -0.9941 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 K24 mock treatment 0.717 -0.014 -0.14 0.727 -0.0203 -0.22 -0.2555 -0.9811 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 L01 compound treatment 1.201 0.47 4.87 1.187 0.44 4.7 6.764 0.9998 3178709 Maybridge4_004467 CC(C)(C)c1cc(C(=O)Oc2ccc(Cl)cc2)n(Cc3ccccc3)n1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 L02 compound treatment 0.783 0.052 0.54 0.736 -0.0113 -0.12 0.2958 0.5361 3065631 Maybridge4_004468 CCOC(=O)c1cc(on1)C(=O)/C=C/N(C)C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 L03 compound treatment 1.184 0.453 4.69 1.201 0.454 4.85 6.7453 0.9999 3178710 Maybridge4_004469 Cc1cc(no1)c2nnc(o2)c3cccc(c3)C(F)(F)F 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 L04 compound treatment 1.047 0.316 3.27 0.969 0.222 2.37 3.9894 0.9874 3178711 Maybridge4_004470 CCOC(=O)c1nc(C)sc1c2ccnn2S(=O)(=O)c3ccccc3C(F)(F)F 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 L05 compound treatment 0.844 0.113 1.17 0.845 0.0978 1.04 1.566 0.9984 1698871 Maybridge4_004471 O=C(Nc1ccno1)N2CCOCC2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 L06 compound treatment 0.943 0.212 2.2 0.926 0.179 1.91 2.9029 0.9976 3065632 Maybridge4_004472 COC(Cn1c(S)nnc1c2ccccc2)OC 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 L07 compound treatment 0.676 -0.055 -0.57 0.661 -0.0862 -0.92 -1.0543 -0.9733 3178712 Maybridge4_004473 FC(F)(F)Oc1ccc(cc1)c2nnc(o2)c3cccnc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 L08 compound treatment 0.062 -0.669 -6.93 0.066 -0.681 -7.28 -10.0458 -0.9997 3178713 Maybridge4_004474 COC(Cn1c(SCC(=O)c2cccc(c2)C(F)(F)F)nnc1c3ccc(Cl)cc3)OC 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 L09 compound treatment 1.214 0.483 5.0 1.231 0.484 5.17 7.1916 0.9999 3065633 Maybridge4_004475 CCOC(=O)c1c(Sc2ccccc2)cnn1C(=O)Nc3cccc(Cl)c3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 L10 compound treatment 1.06 0.329 3.41 1.024 0.277 2.96 4.5001 0.9975 3178714 Maybridge4_004476 COC(Cn1c(SCC(=O)Nc2cc(Cl)cc(Cl)c2)nnc1c3ccccc3)OC 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 L11 compound treatment 1.097 0.366 3.79 1.082 0.335 3.58 5.2092 0.9996 3065634 Maybridge4_004477 Cc1ccc(CSc2ncccc2C(F)(F)F)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 L12 compound treatment 1.35 0.619 6.41 1.368 0.621 6.63 9.2226 0.9999 3065635 Maybridge4_004478 CSc1nccc(n1)c2c(C)onc2c3ccc(Cl)cc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 L13 compound treatment 0.796 0.065 0.67 0.852 0.105 1.12 1.2673 0.9704 1231547 Maybridge4_004479 Cc1nccc(n1)c2nn(ccc2=O)c3ccc(F)cc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 L14 compound treatment 0.857 0.126 1.3 0.845 0.0978 1.04 1.6612 0.9939 3178715 Maybridge4_004480 Cc1cc(no1)c2nc(C)c(s2)c3nnc(SCC(=O)Nc4ccccc4)n3C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 L15 compound treatment 0.929 0.198 2.05 0.918 0.171 1.82 2.7399 0.9983 1650913 Maybridge4_004481 CN(C)C(=O)Oc1nc(C)nc(C)c1Oc2ccc(C)cc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 L16 compound treatment 0.747 0.016 0.17 0.797 0.0498 0.53 0.493 0.8855 3178716 Maybridge4_004482 Cc1c(sc2nc(nn12)c3ccc(Cl)cc3)C(=O)Oc4ccc(C)cc4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 L17 compound treatment 0.903 0.172 1.78 0.876 0.129 1.38 2.2323 0.9918 3065636 Maybridge4_004483 Cc1cc(no1)c2noc(n2)c3snnc3C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 L18 compound treatment 0.938 0.207 2.14 0.915 0.168 1.79 2.7832 0.996 1687470 Maybridge4_004484 O=c1[nH]c(Nc2ccccc2)c(C#N)c(=O)[nH]1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 L19 compound treatment 1.356 0.625 6.47 1.378 0.631 6.74 9.342 0.9998 3178791 Maybridge4_004485 COC(OC)c1ccc(C#N)c(SCc2ccc(C)cc2)n1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 L20 compound treatment 0.761 0.03 0.31 0.776 0.0288 0.31 0.4369 1.0 1451924 Maybridge4_004486 CSc1nc(COc2ccc(cc2)C(C)(C)C)nc(N)c1C#N 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 L21 compound treatment 0.949 0.218 2.26 0.897 0.15 1.6 2.7278 0.9858 3065637 Maybridge4_004487 FC(F)(F)c1cnc(S)c(c1)C(F)(F)F 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 L22 compound treatment 0.662 -0.069 -0.71 0.682 -0.0652 -0.7 -0.9982 -0.9999 3178792 Maybridge4_004488 CCOC(=O)CSc1nc2sccn2c1/C=N/c3cc(Cl)cc(Cl)c3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 L23 mock treatment 0.781 0.05 0.52 0.806 0.0588 0.63 0.81 0.9954 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 L24 mock treatment 0.668 -0.063 -0.65 0.735 -0.0123 -0.13 -0.5539 -0.8324 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 M01 compound treatment 0.264 -0.467 -4.84 0.262 -0.485 -5.18 -7.0858 -0.9994 3065638 Maybridge4_004489 Cc1oc(cc1C(=O)C(=C2SCCS2)C#N)C(C)(C)C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 M02 compound treatment 0.771 0.04 0.41 0.803 0.0558 0.6 0.7141 0.9843 3065639 Maybridge4_004490 Nc1nnc(SCc2nc(no2)c3ccccc3)[nH]1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 M03 compound treatment 0.86 0.129 1.34 0.876 0.129 1.38 1.9173 0.9999 1454547 Maybridge4_004491 C1COc2ccc(cc2OC1)c3csc(n3)c4ccc(cc4)c5csnn5 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 M04 compound treatment 1.164 0.433 4.48 1.178 0.431 4.6 6.4251 0.9999 3178793 Maybridge4_004492 CCN(CC)C(=O)Oc1nnc(SC(C)C)n1c2ccc(Cl)c(Cl)c2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 M05 compound treatment 0.066 -0.665 -6.89 0.06 -0.687 -7.34 -10.0618 -0.9995 1188621 Maybridge4_004493 CC(C)(C)c1cc(cc(c1O)C(C)(C)C)c2csc(n2)c3ccno3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 M06 compound treatment 0.082 -0.649 -6.72 0.082 -0.665 -7.11 -9.7784 -0.9996 3178794 Maybridge4_004494 Clc1ccccc1C(=O)Oc2ccc(cc2)C3=NCCS3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 M07 compound treatment 0.906 0.175 1.81 0.917 0.17 1.81 2.5639 1.0 3065640 Maybridge4_004495 Cc1ccc(cc1)c2noc(n2)c3cc(nn3Cc4ccccc4)C(C)(C)C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 M08 compound treatment 1.275 0.544 5.63 1.316 0.569 6.08 8.2805 0.9993 3178795 Maybridge4_004496 COCc1cc(OC(=O)N(C)C)nc(COc2ccc(Cl)cc2)n1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 M09 compound treatment 0.842 0.111 1.15 0.842 0.0948 1.01 1.5287 0.998 1583006 Maybridge4_004497 Cc1c(cc(c2ccccc2)n1CCCN3CCOCC3)C(=O)Nc4ccccc4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 M10 compound treatment 0.623 -0.108 -1.12 0.619 -0.128 -1.37 -1.7598 -0.9949 3065641 Maybridge4_004498 FC(F)(F)c1ccccc1C(=O)NC(=O)NN2CCCCC2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 M11 compound treatment 1.052 0.321 3.32 1.019 0.272 2.9 4.4037 0.9977 1136828 Maybridge4_004499 CSc1c(C#N)c(nn1c2ccccc2)c3cc(oc3C)C(C)(C)C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 M12 compound treatment 0.731 0.0 0.0 0.654 -0.0932 -1.0 -0.7044 -0.7071 3065642 Maybridge4_004500 NNC(=O)c1cccc(COc2ccc(cc2)C3SCCS3)c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 M13 compound treatment 0.817 0.086 0.89 0.785 0.0378 0.4 0.915 0.9358 1241045 Maybridge4_004501 COc1ccc2[nH]c(cc2c1)C(=O)N(C)c3ccc(F)cc3F 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 M14 compound treatment 1.175 0.444 4.6 1.197 0.45 4.8 6.6492 0.9998 1234233 Maybridge4_004502 COc1ccc(OC(=O)c2csc(Cc3c(Cl)cccc3Cl)n2)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 M15 compound treatment 0.859 0.128 1.33 0.864 0.117 1.25 1.8194 0.9995 3178796 Maybridge4_004503 CSc1sc(C2=NNC(O)(C2)C(F)(F)F)c3c1C(=O)CCC3(C)C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 M16 compound treatment 0.796 0.065 0.67 0.8 0.0528 0.56 0.8745 0.9961 3065643 Maybridge4_004504 Cc1nc(CS(=O)(=O)c2ccccn2)sc1C(=O)NN 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 M17 compound treatment 0.789 0.058 0.6 0.789 0.0418 0.45 0.7402 0.9893 1507802 Maybridge4_004505 CN(C(=O)N1CCCCC1)c2c(C)onc2c3c(Cl)cccc3Cl 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 M18 compound treatment 0.045 -0.686 -7.1 0.045 -0.702 -7.5 -10.3289 -0.9996 3178797 Maybridge4_004506 CN(C)/C=C/C(=O)c1sc(COc2ccccc2Cl)nc1C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 M19 compound treatment 0.788 0.057 0.59 0.806 0.0588 0.63 0.8613 0.9995 3065644 Maybridge4_004507 Oc1cc(nc(Cc2c(Cl)cccc2Cl)n1)C(F)(F)F 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 M20 compound treatment 1.29 0.559 5.79 1.278 0.531 5.67 8.1033 0.9999 3178798 Maybridge4_004508 CC(C)n1c(SCC(=O)C(C)(C)C)nc2cc(ccc12)C(F)(F)F 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 M21 compound treatment 0.856 0.125 1.29 0.834 0.0867 0.93 1.5708 0.9866 3065645 Maybridge4_004509 Oc1nnc(S)n1c2ccccc2C(F)(F)F 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 M22 compound treatment 0.837 0.106 1.1 0.828 0.0808 0.86 1.3863 0.9929 3178799 Maybridge4_004510 Cc1cc(C)c(C#N)c(SCc2nc(COc3cccc(c3)C(F)(F)F)no2)n1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 M23 mock treatment 0.726 -0.005 -0.05 0.743 -0.00425 -0.05 -0.0687 -0.9979 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 M24 mock treatment 0.737 0.006 0.06 0.754 0.00675 0.07 0.0949 0.9973 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 N01 compound treatment 1.099 0.368 3.81 1.074 0.327 3.49 5.1634 0.999 3065646 Maybridge4_004511 CC(C)(C)c1cc(C(=O)Oc2cccc(c2)C(F)(F)F)n(Cc3ccccc3)n1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 N02 compound treatment 1.006 0.275 2.85 0.969 0.222 2.37 3.6891 0.9958 1256051 Maybridge4_004512 CCOC(=O)c1nc(sc1c2ccnn2C(=O)NC(C)C)c3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 N03 compound treatment 1.116 0.385 3.99 1.152 0.405 4.32 5.8771 0.9992 3065647 Maybridge4_004513 Cc1nn(c(C(=O)Sc2cccc(c2)C(F)(F)F)c1Br)C(C)(C)C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 N04 compound treatment 1.409 0.678 7.02 1.417 0.67 7.16 10.0248 1.0 3178800 Maybridge4_004514 CCOC(=O)c1nc(C)sc1c2ccnn2S(=O)(=O)c3ccc(Cl)cc3Cl 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 N05 compound treatment 0.808 0.077 0.8 0.825 0.0778 0.83 1.1513 0.9998 1543758 Maybridge4_004515 O=C(NN1CCOCC1)Nc2ccno2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 N06 compound treatment 0.98 0.249 2.58 0.926 0.179 1.91 3.1739 0.9891 3178801 Maybridge4_004516 COC(Cn1c(SCc2ccc(Cl)cc2)nnc1c3ccccc3)OC 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 N07 compound treatment 0.45 -0.281 -2.91 0.502 -0.245 -2.62 -3.9106 -0.9986 3065648 Maybridge4_004517 Cc1ccc(SC(=O)c2ccc(OC(F)(F)F)cc2)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 N08 compound treatment 0.539 -0.192 -1.99 0.536 -0.211 -2.26 -3.0019 -0.998 3178802 Maybridge4_004518 CN(C)/C=C/C(=O)c1c(C)onc1c2ccccc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 N09 compound treatment 0.132 -0.599 -6.2 0.128 -0.619 -6.62 -9.0647 -0.9995 3065649 Maybridge4_004519 COC(=O)c1noc(C)c1C(=O)/C=C/N(C)C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 N10 compound treatment 0.873 0.142 1.47 0.869 0.122 1.3 1.9597 0.9981 3178803 Maybridge4_004520 COC(OC)c1c(cnn1c2ccccc2)C(=O)OC 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 N11 compound treatment 0.982 0.251 2.6 0.966 0.219 2.34 3.4907 0.9986 3178804 Maybridge4_004521 CCOC(=O)c1cc(CSc2nnc(O)n2c3ccccc3)nn1C(C)(C)C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 N12 compound treatment 0.835 0.104 1.08 0.801 0.0538 0.57 1.1677 0.9566 3065650 Maybridge4_004522 CCOC(Cc1nnc(S)n1C)OCC 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 N13 compound treatment 0.445 -0.286 -2.96 0.513 -0.234 -2.5 -3.8641 -0.9965 1195492 Maybridge4_004523 CC(C)(C)c1nccc(n1)c2nn(ccc2=O)c3ccc(F)cc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 N14 compound treatment 0.788 0.057 0.59 0.749 0.00175 0.02 0.4307 0.7291 1316271 Maybridge4_004524 Clc1ccc(cc1)c2c(cnn2S(=O)(=O)c3ccccc3)S(=O)(=O)c4ccc(Cl)cc4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 N15 compound treatment 0.044 -0.687 -7.12 0.045 -0.702 -7.5 -10.3362 -0.9996 3065651 Maybridge4_004525 CN(C)/C=C(/Sc1ccc(C)cc1)\C(=O)c2ccc(C)cc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 N16 compound treatment 0.062 -0.669 -6.93 0.055 -0.692 -7.4 -10.1289 -0.9995 3178805 Maybridge4_004526 Cc1c(NC(=O)Nc2ccccc2)sc3nc(nn13)c4ccc(Cl)cc4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 N17 compound treatment 1.053 0.322 3.33 1.033 0.286 3.05 4.5168 0.999 3065652 Maybridge4_004527 COCc1nc(S)c(C#N)cc1C(=O)OC 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 N18 compound treatment 0.815 0.084 0.87 0.815 0.0678 0.72 1.127 0.9958 3065697 Maybridge4_004528 NC(=S)c1cnccc1C(F)(F)F 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 N19 compound treatment 1.374 0.643 6.66 1.398 0.651 6.95 9.6249 0.9998 3065698 Maybridge4_004529 COC(OC)c1ccc(C#N)c(SCC(=O)c2ccccc2)n1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 N20 compound treatment 1.115 0.384 3.98 1.11 0.363 3.88 5.5525 0.9999 3065699 Maybridge4_004530 COc1ccc(cc1)c2nc(COc3ccccc3Cl)nc(SC)c2C#N 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 N21 compound treatment 0.922 0.191 1.98 0.98 0.233 2.49 3.157 0.9936 1685558 Maybridge4_004531 CCOC(=O)c1cc(on1)c2csc(Nc3ccccc3Cl)n2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 N22 compound treatment 1.003 0.272 2.82 0.961 0.214 2.28 3.6067 0.9946 3065700 Maybridge4_004532 CSc1nnc(c2ccc(Cl)cc2Cl)n1Cc3ccco3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 N23 mock treatment 0.733 0.002 0.02 0.796 0.0488 0.52 0.3829 0.7346 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 N24 mock treatment 0.706 -0.025 -0.26 0.71 -0.0372 -0.4 -0.4645 -0.9783 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 O01 compound treatment 1.071 0.34 3.52 0.994 0.247 2.64 4.354 0.9898 3065702 Maybridge4_004533 FC(F)(F)Oc1ccccc1NC(=S)NCc2ccc3OCCc3c2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 O02 compound treatment 1.035 0.304 3.15 0.966 0.219 2.34 3.8788 0.9892 3065703 Maybridge4_004534 CC(C)Sc1nnc(O)n1c2ccccc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 O03 compound treatment 0.719 -0.012 -0.12 0.761 0.0138 0.15 0.016 0.0831 3065704 Maybridge4_004535 FC(F)(F)c1ccc(cc1)c2csc(n2)c3ccc(cc3)c4csnn4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 O04 compound treatment 0.823 0.092 0.95 0.848 0.101 1.08 1.4349 0.9982 1506889 Maybridge4_004536 Clc1ccc(CSCc2cc(=O)[nH]c(=O)[nH]2)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 O05 compound treatment 1.204 0.473 4.9 1.228 0.481 5.14 7.0957 0.9997 3178806 Maybridge4_004537 FC(F)(F)Oc1ccc(cc1)c2nc(CS(=O)(=O)Cc3ccco3)no2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 O06 compound treatment 0.735 0.004 0.04 0.718 -0.0293 -0.31 -0.1917 -0.608 3065705 Maybridge4_004538 FC(F)(F)c1ccc(cc1)c2nnc(SCC=C)[nH]2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 O07 compound treatment 0.805 0.074 0.77 0.783 0.0358 0.38 0.812 0.9483 3178807 Maybridge4_004539 Fc1ccc(c2nc(no2)c3ccc(cc3)C(F)(F)F)c(Cl)c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 O08 compound treatment 0.458 -0.273 -2.83 0.496 -0.251 -2.68 -3.8973 -0.9997 3065706 Maybridge4_004540 FC(F)(F)c1ccc(cc1)C(=O)Sc2ccccc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 O09 compound treatment 0.798 0.067 0.69 0.761 0.0138 0.15 0.5945 0.8382 1707697 Maybridge4_004541 Fc1ccc(cc1)n2nc(cc2NC(=O)C3CCC3)c4ccc(Cl)cc4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 O10 compound treatment 0.766 0.035 0.36 0.76 0.0127 0.14 0.3526 0.9106 3065707 Maybridge4_004542 N/C(=N\O)/CS(=O)(=O)Cc1cccc(c1)C(F)(F)F 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 O11 compound treatment 0.528 -0.203 -2.1 0.66 -0.0872 -0.93 -2.1458 -0.933 3178808 Maybridge4_004543 COC(=O)C1SCCN1C(=O)c2cc(oc2C)c3ccc(Cl)cc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 O12 compound treatment 0.285 -0.446 -4.62 0.083 -0.664 -7.1 -8.2842 -0.9784 3065708 Maybridge4_004544 FC(F)(F)c1ccc(COc2ccc(C#N)cc2Cl)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 O13 compound treatment 1.102 0.371 3.84 1.04 0.293 3.13 4.9285 0.9948 3178809 Maybridge4_004545 Cc1oc(cc1C(=O)N2CCN(CC2)c3ncccc3C(F)(F)F)C(C)(C)C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 O14 compound treatment 1.328 0.597 6.18 1.326 0.579 6.18 8.7442 1.0 1687767 Maybridge4_004546 Clc1cccc(Cl)c1Cc2nc(cs2)C(=O)NCc3cccs3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 O15 compound treatment 0.788 0.057 0.59 0.784 0.0368 0.39 0.6951 0.9804 1449045 Maybridge4_004547 COC(=O)c1c(C)oc(C)c1S(=O)(=O)N2CCOCC2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 O16 compound treatment 0.751 0.02 0.21 0.773 0.0258 0.28 0.341 0.9902 1404470 Maybridge4_004548 CCn1nc(C)cc1C(=O)NN 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 O17 compound treatment 0.726 -0.005 -0.05 0.764 0.0168 0.18 0.0899 0.4827 3178810 Maybridge4_004549 CN(C)N/C(=N\O)/c1c(F)cccc1Cl 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 O18 compound treatment 0.348 -0.383 -3.97 0.385 -0.362 -3.87 -5.5414 -0.9999 3065709 Maybridge4_004550 N/C(=N\O)/COc1ccccc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 O19 compound treatment 0.753 0.022 0.23 0.77 0.0227 0.24 0.333 0.9995 3178811 Maybridge4_004551 Oc1cc(nc(Cc2c(Cl)cccc2Cl)n1)c3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 O20 compound treatment 1.178 0.447 4.63 1.142 0.395 4.22 6.2556 0.9989 3065711 Maybridge4_004552 CCn1nc(C)c(Br)c1C(=O)Oc2ccc(Cl)cc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 O21 compound treatment 0.99 0.259 2.68 0.961 0.214 2.28 3.5115 0.9968 3178882 Maybridge4_004553 Cc1ccc(CSc2nnc([nH]2)c3ccc(cc3)C(C)(C)C)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 O22 compound treatment 1.056 0.325 3.37 1.05 0.303 3.23 4.6672 0.9998 3178883 Maybridge4_004554 Cc1cc(OCc2noc(CSc3ccc(cn3)C(F)(F)F)n2)cc(C)c1Cl 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 O23 mock treatment 0.645 -0.086 -0.89 0.736 -0.0113 -0.12 -0.7148 -0.7953 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 O24 mock treatment 0.72 -0.011 -0.11 0.744 -0.00325 -0.03 -0.1051 -0.8825 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 P01 compound treatment 0.1 -0.631 -6.54 0.112 -0.635 -6.79 -9.42 -0.9998 1165145 Maybridge4_004555 CC(C)(C)c1cc(C(=O)Nc2ccc(Cl)cc2)n(Cc3ccccc3)n1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 P02 compound treatment 0.366 -0.365 -3.78 0.417 -0.33 -3.53 -5.1679 -0.9994 3178884 Maybridge4_004556 CCOC(=O)c1cc(on1)c2ccnn2C(=O)c3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 P03 compound treatment 0.046 -0.685 -7.09 0.046 -0.701 -7.49 -10.314 -0.9996 3065712 Maybridge4_004557 Cc1cc(no1)c2onc(C)c2C(=O)Sc3ccc(C)cc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 P04 compound treatment 1.225 0.494 5.12 1.309 0.562 6.0 7.8614 0.9968 3178885 Maybridge4_004558 Cc1nc(nc(Sc2cccc(c2)C(F)(F)F)c1C)C(F)(F)F 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 P05 compound treatment 1.297 0.566 5.86 1.301 0.554 5.92 8.3283 1.0 3065713 Maybridge4_004559 CCOC(=O)c1noc(C)c1c2csc(COc3cc(Cl)cc(Cl)c3)n2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 P06 compound treatment 0.706 -0.025 -0.26 0.788 0.0408 0.44 0.1247 0.2463 3178886 Maybridge4_004560 FC(F)(F)c1ccc(cc1)c2nc(cs2)c3cc(no3)c4ccccc4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 P07 compound treatment 0.677 -0.054 -0.56 0.762 0.0147 0.16 -0.284 -0.4888 1465099 Maybridge4_004561 Cc1cc(no1)c2onc(C)c2C(=O)N 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 P08 compound treatment 0.522 -0.209 -2.16 0.595 -0.152 -1.63 -2.6807 -0.9901 1505757 Maybridge4_004562 Cc1nc2ccccn2c1c3ccnn3S(=O)(=O)c4ccc(C)cc4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 P09 compound treatment 1.06 0.329 3.41 1.028 0.281 3.0 4.5303 0.998 3065714 Maybridge4_004563 COC(=O)c1noc(C)c1c2ccnn2C(=O)c3cc(cc(c3)C(F)(F)F)C(F)(F)F 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 P10 compound treatment 0.104 -0.627 -6.49 0.11 -0.637 -6.81 -9.4058 -0.9997 3178887 Maybridge4_004564 COC(=O)c1cnn(c1/C=N/c2ccc(C)cc2)c3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 P11 compound treatment 0.963 0.232 2.4 0.937 0.19 2.03 3.1325 0.9964 3178888 Maybridge4_004565 CC(C)(C)c1ccc(cc1Cn2nnc(n2)c3cccc(c3)C(F)(F)F)c4ncon4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 P12 compound treatment 1.206 0.475 4.92 1.228 0.481 5.14 7.1104 0.9998 1198897 Maybridge4_004566 CC(=O)N(C(=O)C)c1nccc(n1)c2c(C)onc2c3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 P13 compound treatment 0.719 -0.012 -0.12 0.714 -0.0333 -0.36 -0.3391 -0.901 1188766 Maybridge4_004567 Clc1ccc(cc1)n2ccc(=O)c(n2)C(=O)c3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 P14 compound treatment 1.346 0.615 6.37 1.361 0.614 6.56 9.1404 0.9999 1729683 Maybridge4_004568 CC(C)NC(=O)n1ncc(c1c2ccc(Cl)cc2)S(=O)(=O)c3ccc(Cl)cc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 P15 compound treatment 0.68 -0.051 -0.53 0.7 -0.0473 -0.5 -0.7304 -0.9997 1416020 Maybridge4_004569 Cc1[nH]c(=S)[nH]c(=O)c1Oc2ccccc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 P16 compound treatment 0.093 -0.638 -6.61 0.1 -0.647 -6.91 -9.5619 -0.9997 3065738 Maybridge4_004570 Cc1c(sc2nc(nn12)C(F)(F)F)C(=O)Sc3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 P17 compound treatment 1.089 0.358 3.71 1.06 0.313 3.34 4.9844 0.9987 1418463 Maybridge4_004571 CCOC(=O)c1cc(C#N)c(S)nc1c2ccccc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 P18 compound treatment 0.881 0.15 1.55 0.885 0.138 1.47 2.1391 0.9996 3065739 Maybridge4_004572 Cn1c(S)nnc1c2ncc(cc2Cl)C(F)(F)F 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 P19 compound treatment 0.549 -0.182 -1.88 0.614 -0.133 -1.42 -2.3395 -0.9904 3065740 Maybridge4_004573 Cc1onc(C(=O)NN)c1c2csc(COc3ccc(Cl)cc3)n2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 P20 compound treatment 0.624 -0.107 -1.11 0.676 -0.0712 -0.76 -1.3219 -0.9832 1093995 Maybridge4_004574 NC(=S)COc1ccccc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 P21 compound treatment 0.948 0.217 2.25 1.018 0.271 2.89 3.6345 0.9922 3178889 Maybridge4_004575 Cc1cc(no1)c2nc(cs2)c3ccc(Cl)cc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 P22 compound treatment 0.649 -0.082 -0.85 0.709 -0.0382 -0.41 -0.8895 -0.9438 3065741 Maybridge4_004576 CC(C)S(=O)(=O)/C(=C/N1CCC(CC1)C(F)(F)F)/C#N 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 P23 mock treatment 0.705 -0.026 -0.27 0.77 0.0227 0.24 -0.0186 -0.0511 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2061 P24 mock treatment 0.641 -0.09 -0.93 0.735 -0.0123 -0.13 -0.7517 -0.7986 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 A01 compound treatment 0.81 -0.0138 -0.14 0.77 0.0868 0.93 0.5544 0.591 3081891 TimTec1_000353 CCc1ccc(/C=C/2\C(=NN(C2=O)c3ccccc3)C)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 A02 compound treatment 0.108 -0.716 -7.41 0.103 -0.58 -6.2 -9.6254 -0.996 3210254 TimTec1_000354 O=C/1NC(=S)S\C1=C\c2ccccc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 A03 compound treatment 0.779 -0.0448 -0.46 0.699 0.0158 0.17 -0.209 -0.4232 3081893 TimTec1_000355 CCOC(=O)c1sc2cc(OC)ccc2c1Cl 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 A04 compound treatment 1.232 0.408 4.23 1.126 0.443 4.73 6.3342 0.9984 1428363 TimTec1_000356 CCc1c(C)sc(NC(=O)C2CC3CCC2C3)c1C(=O)OC 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 A05 compound treatment 0.801 -0.0228 -0.24 0.652 -0.0312 -0.33 -0.4029 -0.9857 3081895 TimTec1_000357 Cc1ccc(C)[n+](CNC(=O)c2ccc(Cl)cc2Cl)c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 A06 compound treatment 0.155 -0.669 -6.93 0.152 -0.531 -5.68 -8.911 -0.9951 1573927 TimTec1_000358 CCOc1ccc(cc1)C(=O)Nc2cc(C)ccn2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 A07 compound treatment 0.994 0.17 1.76 0.796 0.113 1.2 2.0983 0.9828 1174870 TimTec1_000359 OC(=O)c1ccccc1SC(=O)Cc2ccccc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 A08 compound treatment 0.952 0.128 1.33 0.752 0.0688 0.73 1.4584 0.9611 3210255 TimTec1_000360 C/C(=N\N)/c1ccc2ccccc2c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 A09 compound treatment 1.016 0.192 1.99 0.751 0.0678 0.72 1.9195 0.9062 3210256 TimTec1_000361 OC(=O)/C=C/c1ccc(cc1)S(=O)(=O)Nc2cccc(c2)C(=O)O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 A10 compound treatment 0.802 -0.0218 -0.23 0.666 -0.0172 -0.18 -0.2898 -0.9948 1008686 TimTec1_000362 OC(=O)c1cncc(c1)C(=O)O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 A11 compound treatment 0.094 -0.73 -7.56 0.093 -0.59 -6.31 -9.8035 -0.9959 1637875 TimTec1_000363 Cc1oc2ccccc2c1c3ccc4ccccc4n3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 A12 compound treatment 0.826 0.00219 0.02 0.636 -0.0472 -0.5 -0.3407 -0.6747 1629100 TimTec1_000364 COc1ccc2nc(C)cc(Nc3ccccc3)c2c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 A13 compound treatment 0.694 -0.13 -1.34 0.586 -0.0972 -1.04 -1.6851 -0.9919 3081900 TimTec1_000365 O=C(Oc1nc2ccccc2s1)c3ccccc3C(=O)c4ccccc4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 A14 compound treatment 0.809 -0.0148 -0.15 0.691 0.00778 0.08 -0.0497 -0.2848 1265013 TimTec1_000366 COc1ccc(OCC(O)CN2CCN(C)CC2)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 A15 compound treatment 0.956 0.132 1.37 0.755 0.0718 0.77 1.5103 0.9625 3081958 TimTec1_000367 Cc1nn(C)cc1C(=O)c2ccccc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 A16 compound treatment 1.238 0.414 4.29 1.145 0.462 4.93 6.5217 0.9976 3210257 TimTec1_000368 O=C(NCCOc1ccccc1Cc2ccccc2)c3ccc4CCc5cccc3c54 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 A17 compound treatment 0.474 -0.35 -3.62 0.443 -0.24 -2.57 -4.3765 -0.9857 1435378 TimTec1_000369 O=C(NC1CCCCCCC1)c2cccs2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 A18 compound treatment 0.832 0.00819 0.08 0.745 0.0618 0.66 0.5267 0.7914 1651254 TimTec1_000370 Clc1ccc(CCNC(=O)C(c2ccccc2)c3ccccc3)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 A19 compound treatment 1.292 0.468 4.85 1.222 0.539 5.76 7.4989 0.9964 3210258 TimTec1_000371 COC(=O)C1=C(C)NC(=S)NC1c2cn(nc2c3cccs3)c4ccccc4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 A20 compound treatment 1.018 0.194 2.01 0.868 0.185 1.97 2.818 1.0 1199491 TimTec1_000372 O=C(CNc1ccc(Cc2ccncc2)cc1)c3cccc4ccccc34 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 A21 compound treatment 0.291 -0.533 -5.52 0.247 -0.436 -4.66 -7.1974 -0.9965 1401884 TimTec1_000373 C(OC1CCCCC1)C2CCCN3CCCCC23 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 A22 compound treatment 0.834 0.0102 0.11 0.661 -0.0222 -0.24 -0.0932 -0.3589 1357135 TimTec1_000374 Cc1nnc(SCC(=O)N2CCOCC2)s1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 A23 mock treatment 0.711 -0.113 -1.17 0.568 -0.115 -1.23 -1.6966 -0.9997 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 A24 mock treatment 0.788 -0.0358 -0.37 0.677 -0.00622 -0.07 -0.3093 -0.8207 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 B01 compound treatment 0.951 0.127 1.32 0.839 0.156 1.66 2.1083 0.9933 3210259 TimTec1_000375 CC(NC(=O)CSc1nnc(c2cccc(F)c2)n1c3ccccc3)c4ccccc4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 B02 compound treatment 0.909 0.0852 0.88 0.765 0.0818 0.87 1.2417 1.0 1231283 TimTec1_000376 O=C(C1=NN(C2C1C(=O)N(C2=O)c3ccccc3)c4ccccc4)c5ccccc5 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 B03 compound treatment 1.011 0.187 1.94 0.873 0.19 2.03 2.8045 0.9997 1268796 TimTec1_000377 Nc1nonc1C(=O)N2CCCCC2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 B04 compound treatment 1.227 0.403 4.18 1.084 0.401 4.28 5.9803 0.9999 1721792 TimTec1_000378 Cc1ccc(cc1)C(=O)N2CCc3ccccc3C2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 B05 compound treatment 0.994 0.17 1.76 0.817 0.134 1.43 2.257 0.9946 3081967 TimTec1_000379 CCN1C(=O)/C(=c\2/sc3nc4ccccc4n3c2=O)/c5ccccc15 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 B06 compound treatment 0.122 -0.702 -7.27 0.12 -0.563 -6.02 -9.3944 -0.9956 3210260 TimTec1_000380 CN(C)/C=C/c1cc-2c(cn1)C(=O)c3ccccc32 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 B07 compound treatment 1.061 0.237 2.46 0.907 0.224 2.39 3.4275 0.9999 1780211 TimTec1_000381 CCN1CCc2c(C1)sc3[nH]c(=S)[nH]c(=S)c23 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 B08 compound treatment 0.828 0.00419 0.04 0.624 -0.0592 -0.63 -0.4167 -0.6571 3210261 TimTec1_000382 COC(=O)C1=NNC2(C)C1C(=O)N(C2=O)c3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 B09 compound treatment 0.984 0.16 1.66 0.834 0.151 1.61 2.3122 0.9999 3081970 TimTec1_000383 CC1(C)CC(=O)N=C(Nc2ccc(Br)cc2)C(=O)C1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 B10 compound treatment 0.064 -0.76 -7.87 0.068 -0.615 -6.57 -10.212 -0.996 3210262 TimTec1_000384 CCC1(NN(C(=S)N1)c2ccccc2)c3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 B11 compound treatment 0.64 -0.184 -1.9 0.417 -0.266 -2.84 -3.3572 -0.9809 3210263 TimTec1_000385 CN(C)CCSc1nc(cc(c1C#N)c2ccc(Cl)cc2)c3cccs3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 B12 compound treatment 1.089 0.265 2.75 0.989 0.306 3.27 4.252 0.9963 1634534 TimTec1_000386 Cc1cccc(c1)C(=O)N(CCN2C(=O)c3ccccc3C2=O)c4cccc5ccccc45 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 B13 compound treatment 1.161 0.337 3.49 1.112 0.429 4.58 5.7085 0.991 1575191 TimTec1_000387 CCN(CC)S(=O)(=O)c1cc(ccc1C)c2nnc(o2)c3ccc(C)cc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 B14 compound treatment 0.979 0.155 1.61 0.851 0.168 1.79 2.404 0.9985 1606248 TimTec1_000388 CN(c1ccc(cc1)C(=O)N2CCCCC2)S(=O)(=O)c3ccc(C)cc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 B15 compound treatment 0.566 -0.258 -2.67 0.483 -0.2 -2.14 -3.4006 -0.994 3210264 TimTec1_000389 OC(=O)C(CC(=O)c1ccc(Br)cc1)NCc2ccccc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 B16 compound treatment 0.364 -0.46 -4.76 0.317 -0.366 -3.91 -6.134 -0.9952 1631485 TimTec1_000390 Brc1ccccc1OCC2CCCN3CCCCC23 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 B17 compound treatment 0.047 -0.777 -8.05 0.051 -0.632 -6.75 -10.4649 -0.9962 1246627 TimTec1_000391 OC(=O)C(CC(=O)c1ccc(cc1)C2CCCCC2)n3ccnc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 B18 compound treatment 0.866 0.0422 0.44 0.661 -0.0222 -0.24 0.1411 0.2838 1679013 TimTec1_000392 OC(=O)CCn1c(=O)n(CCC(=O)O)c2c(Cl)cc(Cl)cc12 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 B19 compound treatment 0.675 -0.149 -1.54 0.523 -0.16 -1.71 -2.3002 -0.9986 3082038 TimTec1_000393 Oc1ccccc1/C=N/n2c(nc3ccccc3c2=O)c4ccccc4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 B20 compound treatment 0.344 -0.48 -4.97 0.287 -0.396 -4.23 -6.507 -0.9968 1477092 TimTec1_000394 CC(=O)Oc1ccc(cc1)C(=O)Nc2ccc(F)cc2F 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 B21 compound treatment 1.118 0.294 3.05 1.003 0.32 3.42 4.5702 0.9984 1663115 TimTec1_000395 CCOC(=O)c1c(C)[nH]c(=S)c(C#N)c1c2ccc(OC)cc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 B22 compound treatment 1.297 0.473 4.9 1.287 0.604 6.45 8.0265 0.9908 1283576 TimTec1_000396 CC(=O)Oc1ccccc1C(=O)N2CCN(CC2)c3cccc(Cl)c3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 B23 mock treatment 0.761 -0.0628 -0.65 0.631 -0.0522 -0.56 -0.8545 -0.9971 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 B24 mock treatment 0.736 -0.0878 -0.91 0.608 -0.0752 -0.8 -1.2113 -0.9981 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 C01 compound treatment 1.017 0.193 2.0 0.861 0.178 1.9 2.7578 0.9997 1380400 TimTec1_000397 O=C(Nc1sc2CCCCCc2c1C(=O)N3CCOCC3)c4ccccc4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 C02 compound treatment 0.917 0.0932 0.97 0.767 0.0838 0.9 1.3154 0.9993 1651805 TimTec1_000398 CC(C(Cc1cc(C)cc(C)c1)c2nc3ccccc3[nH]2)c4nc5ccccc5[nH]4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 C03 compound treatment 0.903 0.0792 0.82 0.768 0.0848 0.91 1.2204 0.9988 1188845 TimTec1_000399 O=C(N1CCN(CC1)C(c2ccccc2)c3ccccc3)c4cccnc4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 C04 compound treatment 1.27 0.446 4.62 1.159 0.476 5.08 6.8618 0.9989 1525346 TimTec1_000400 NC(=O)c1c(NC(=O)C2CC2)sc3CCCCc13 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 C05 compound treatment 1.364 0.54 5.59 1.307 0.624 6.66 8.6683 0.9962 3210265 TimTec1_000401 CC1=NN(C(=O)C1/C=N/C2CCS(=O)(=O)C2)c3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 C06 compound treatment 0.804 -0.0198 -0.21 0.67 -0.0132 -0.14 -0.245 -0.9834 1333714 TimTec1_000402 O=C(NC1CCCC1)C(Sc2ccccc2)c3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 C07 compound treatment 0.884 0.0602 0.62 0.647 -0.0362 -0.39 0.1672 0.2279 1642658 TimTec1_000403 O=C(COCC(=O)c1ccccc1)Sc2nc3ccccc3o2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 C08 compound treatment 1.022 0.198 2.05 0.564 -0.119 -1.27 0.5508 0.228 1608693 TimTec1_000404 CCN(CC)C(=O)c1sc(N)c(C#N)c1C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 C09 compound treatment 0.479 -0.345 -3.57 0.377 -0.306 -3.27 -4.8385 -0.999 1606859 TimTec1_000405 COc1ccc(cc1)c2nn(C)c3ccccc23 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 C10 compound treatment 1.314 0.49 5.08 1.292 0.609 6.5 8.1888 0.9925 3082046 TimTec1_000406 COC(=O)c1csc(C(=O)OC)c1C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 C11 compound treatment 0.915 0.0912 0.94 0.75 0.0668 0.71 1.1723 0.9904 3210382 TimTec1_000407 CC(=O)Oc1ccccc1OCc2nn(C)c3ccccc23 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 C12 compound treatment 1.124 0.3 3.11 0.962 0.279 2.98 4.3044 0.9998 1715694 TimTec1_000408 CCOc1ccc(Oc2cc(NC(=O)c3ccc(F)cc3)cc(NC(=O)c4ccc(F)cc4)c2)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 C13 compound treatment 0.694 -0.13 -1.34 0.472 -0.211 -2.26 -2.5463 -0.9694 3082048 TimTec1_000409 O=C(CCN1CCOCC1)N/C=N\c2cccnc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 C14 compound treatment 0.627 -0.197 -2.04 0.456 -0.227 -2.43 -3.1578 -0.9962 1388427 TimTec1_000410 COc1ccc(cc1)c2ccc(o2)c3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 C15 compound treatment 0.886 0.0622 0.64 0.753 0.0698 0.75 0.9826 0.9973 1724239 TimTec1_000411 O=C(CCc1ccccc1)NCCN2CCN(CC2)C(=O)CCc3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 C16 compound treatment 1.047 0.223 2.31 0.883 0.2 2.13 3.1437 0.9992 3082050 TimTec1_000412 COC(=O)NCCOc1ccc(C)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 C17 compound treatment 1.202 0.378 3.92 1.168 0.485 5.18 6.4318 0.9905 1126232 TimTec1_000413 O=C(NCCC(c1ccccc1)c2ccccc2)c3cccs3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 C18 compound treatment 0.902 0.0782 0.81 0.747 0.0638 0.68 1.0544 0.9963 1230497 TimTec1_000414 O=C(NCc1cccc2ccccc12)c3ccc4CCc5cccc3c54 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 C19 compound treatment 0.673 -0.151 -1.56 0.521 -0.162 -1.73 -2.3299 -0.9987 1531449 TimTec1_000415 COc1ccccc1C(=O)OCC2CCCN3CCCCC23 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 C20 compound treatment 1.244 0.42 4.35 1.179 0.496 5.3 6.8225 0.9952 1369763 TimTec1_000416 O=S(=O)(NCc1cccc2ccccc12)c3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 C21 compound treatment 0.425 -0.399 -4.13 0.359 -0.324 -3.46 -5.3699 -0.9962 1183479 TimTec1_000417 C(Oc1cccc2cccnc12)C3CCCN4CCCCC34 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 C22 compound treatment 1.196 0.372 3.85 1.105 0.422 4.51 5.912 0.997 3081139 TimTec1_000418 Cc1nnc(SC(c2ccccc2)c3ccccc3)s1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 C23 mock treatment 0.757 -0.0668 -0.69 0.588 -0.0952 -1.02 -1.2086 -0.9824 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 C24 mock treatment 0.824 1.88E-4 0.0 0.664 -0.0192 -0.21 -0.1438 -0.7004 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 D01 compound treatment 0.877 0.0532 0.55 0.737 0.0538 0.57 0.7958 0.9998 1140783 TimTec1_000419 O=C(CSCC(=O)c1ccc(cc1)c2ccccc2)Nc3ccc4ccccc4c3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 D02 compound treatment 1.025 0.201 2.08 0.924 0.241 2.57 3.2923 0.9945 1615836 TimTec1_000420 NS(=O)(=O)c1ccc(CNC(=O)c2ccc(cc2)C(=O)N(C3CCCCC3)C4CCCCC4)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 D03 compound treatment 0.762 -0.0618 -0.64 0.633 -0.0502 -0.54 -0.832 -0.9961 3081141 TimTec1_000421 Nc1nonc1/C(=N/O)/N2CCCCC2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 D04 compound treatment 1.193 0.369 3.82 1.138 0.455 4.86 6.1393 0.993 1613632 TimTec1_000422 COC(=O)C1CCN(CC1)S(=O)(=O)c2ccccc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 D05 compound treatment 1.0 0.176 1.82 0.927 0.244 2.6 3.1319 0.9849 3081143 TimTec1_000423 COCCN1C(=O)/C(=C/c2sccc2C)/SC1=S 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 D06 compound treatment 0.89 0.0662 0.69 0.759 0.0758 0.81 1.0572 0.9966 1480512 TimTec1_000424 CCOC(=O)c1[nH]c(=O)[nH]c1Cn2nc(C)cc2C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 D07 compound treatment 0.971 0.147 1.52 0.837 0.154 1.64 2.2396 0.9993 3210383 TimTec1_000425 Cc1ccc(/C=C/C(=O)Nc2sc3CCCCc3c2C#N)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 D08 compound treatment 1.15 0.326 3.38 0.996 0.313 3.34 4.7517 1.0 1098479 TimTec1_000426 CCOC(=O)C1=NN(CC1C(=O)OC)c2ccccc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 D09 compound treatment 0.928 0.104 1.08 0.829 0.146 1.56 1.8643 0.9839 3210384 TimTec1_000427 CC(=O)N/C(=N\C(=O)C)/c1ccc(cc1)N2CCOCC2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 D10 compound treatment 0.878 0.0542 0.56 0.742 0.0588 0.63 0.8409 0.9984 1312411 TimTec1_000428 CC1(C)Cc2ccccc2C(=N1)C(Cc3ccccc3)C(=O)N 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 D11 compound treatment 1.107 0.283 2.93 1.064 0.381 4.07 4.9504 0.9871 1238734 TimTec1_000429 Cn1c2CCCC(=O)c2c3cc(ccc13)C4CCCCC4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 D12 compound treatment 1.035 0.211 2.19 0.853 0.17 1.81 2.8292 0.9957 1207720 TimTec1_000430 O=C1CCC(=O)N1c2ccccc2c3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 D13 compound treatment 1.134 0.31 3.21 1.021 0.338 3.61 4.8233 0.9983 3210385 TimTec1_000431 COc1ccc(cc1)c2cc(nc(SC/C(=N\C#N)/N)c2C#N)c3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 D14 compound treatment 1.02 0.196 2.03 0.916 0.233 2.49 3.1953 0.995 3081150 TimTec1_000432 O=S(=O)(/N=c\1/cc(ss1)c2ccccc2)c3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 D15 compound treatment 0.848 0.0242 0.25 0.611 -0.0722 -0.77 -0.3684 -0.4542 3210386 TimTec1_000433 CCN(CC)CCCNc1nc(Cl)nc(Nc2ccc(F)cc2F)n1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 D16 compound treatment 0.441 -0.383 -3.96 0.353 -0.33 -3.53 -5.2981 -0.9983 1665252 TimTec1_000434 CCN(CC)C(=O)COCC1CCCN2CCCCC12 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 D17 compound treatment 0.808 -0.0158 -0.16 0.654 -0.0292 -0.31 -0.3365 -0.9547 3081152 TimTec1_000435 Clc1cc(Cl)cc(NC(=N)N2CCN(Cc3ccccc3)CC2)c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 D18 compound treatment 0.918 0.0942 0.98 0.777 0.0938 1.0 1.3982 0.9999 3210387 TimTec1_000436 CCOC(=O)c1c(C)n[nH]c1N 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 D19 compound treatment 1.315 0.491 5.09 1.219 0.536 5.72 7.6446 0.9983 3081154 TimTec1_000437 O=C(/C=C/c1ccccc1)C2CC2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 D20 compound treatment 1.059 0.235 2.44 0.824 0.141 1.5 2.7859 0.9732 1277973 TimTec1_000438 CCC(C)NC(=O)c1ccc(OC(=O)C)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 D21 compound treatment 0.715 -0.109 -1.13 0.6 -0.0832 -0.89 -1.4255 -0.9931 1511267 TimTec1_000439 COc1ccc(OCc2c(C#N)c3ccccc3n2C)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 D22 compound treatment 0.52 -0.304 -3.15 0.34 -0.343 -3.67 -4.8177 -0.9971 1736813 TimTec1_000440 CC(NC(=O)c1ccccc1OC(=O)C)c2ccccc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 D23 mock treatment 0.855 0.0312 0.32 0.702 0.0188 0.2 0.3703 0.9738 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 D24 mock treatment 0.732 -0.0918 -0.95 0.567 -0.116 -1.24 -1.5503 -0.9913 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 E01 compound treatment 1.043 0.219 2.27 1.018 0.335 3.58 4.1342 0.9759 1576550 TimTec1_000441 Brc1ccc(cc1)S(=O)(=O)N2CCCc3ccccc23 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 E02 compound treatment 1.207 0.383 3.97 1.142 0.459 4.9 6.272 0.9945 1538091 TimTec1_000442 CCOc1ccc(NC(=O)CC(C)Cc2cc(C)cc(C)c2)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 E03 compound treatment 1.06 0.236 2.45 0.88 0.197 2.1 3.2163 0.9972 1380584 TimTec1_000443 Cc1ccc(o1)c2cc(C(=O)O)c3ccccc3n2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 E04 compound treatment 0.953 0.129 1.34 0.827 0.144 1.54 2.0323 0.9976 1384234 TimTec1_000444 Cc1onc(c1C(=O)NCc2ccc(F)cc2)c3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 E05 compound treatment 0.924 0.1 1.04 0.776 0.0928 0.99 1.4346 0.9997 3210388 TimTec1_000445 Cc1nn(c(O)c1/C=C/2\SC(=S)N(Cc3ccccc3)C2=O)c4ccccc4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 E06 compound treatment 0.907 0.0832 0.86 0.797 0.114 1.22 1.4688 0.9858 1727240 TimTec1_000446 O=C(Nc1ccc(cc1)S(=O)(=O)Nc2nccs2)C3CCCO3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 E07 compound treatment 0.685 -0.139 -1.44 0.607 -0.0762 -0.81 -1.5924 -0.9638 1282347 TimTec1_000447 O=C(COCC(=O)c1ccccc1)Sc2nc3ccccc3s2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 E08 compound treatment 0.87 0.0462 0.48 0.731 0.0478 0.51 0.6992 0.9995 1626029 TimTec1_000448 CC(NC(=O)c1ccccc1)C(=O)NN 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 E09 compound treatment 0.756 -0.0678 -0.7 0.629 -0.0542 -0.58 -0.9062 -0.9954 3081750 TimTec1_000449 Cc1ccc(OCc2nn(C)c3ccccc23)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 E10 compound treatment 0.915 0.0912 0.94 0.773 0.0898 0.96 1.346 1.0 3081752 TimTec1_000450 Cn1ncc(Br)c1C(=O)O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 E11 compound treatment 0.421 -0.403 -4.17 0.335 -0.348 -3.72 -5.5805 -0.9984 1483987 TimTec1_000451 O=C(Cc1nc2ccccc2[nH]1)Oc3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 E12 compound treatment 0.898 0.0742 0.77 0.705 0.0218 0.23 0.7079 0.8817 1161165 TimTec1_000452 OC(=O)c1cc2cccc(c2cc1O)S(=O)(=O)NCC=C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 E13 compound treatment 0.794 -0.0298 -0.31 0.642 -0.0412 -0.44 -0.5297 -0.9849 3081755 TimTec1_000453 O=C(N/C=N\c1cccnc1)C2COc3ccccc3O2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 E14 compound treatment 0.907 0.0832 0.86 0.757 0.0738 0.79 1.1666 0.999 1290467 TimTec1_000454 CCCc1nc(c(NC)o1)S(=O)(=O)c2ccc(C)cc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 E15 compound treatment 0.963 0.139 1.44 0.842 0.159 1.7 2.2188 0.9967 1210563 TimTec1_000455 Cc1cc(C)c(c(C)c1)n2cccc2CN 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 E16 compound treatment 1.033 0.209 2.17 0.968 0.285 3.04 3.6833 0.9862 1600581 TimTec1_000456 O=C(NCc1ccc2OCOc2c1)c3cccc4ccccc34 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 E17 compound treatment 0.932 0.108 1.12 0.762 0.0788 0.84 1.3874 0.9901 3210389 TimTec1_000457 Clc1ccccc1c2ccc(/C=C/3\SC(=S)N(CC4CCCO4)C3=O)o2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 E18 compound treatment 1.005 0.181 1.88 0.849 0.166 1.77 2.5793 0.9996 1166878 TimTec1_000458 O=C(NCc1cccc2ccccc12)C(c3ccccc3)c4ccccc4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 E19 compound treatment 0.154 -0.67 -6.94 0.137 -0.546 -5.84 -9.0317 -0.9963 1409245 TimTec1_000459 Clc1ccc(OCC(=O)OCC2CCCN3CCCCC23)c(Cl)c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 E20 compound treatment 1.053 0.229 2.37 0.898 0.215 2.29 3.301 0.9999 1120094 TimTec1_000460 Cc1ccc(CSc2nnc(N)s2)c(C)c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 E21 compound treatment 0.247 -0.577 -5.97 0.167 -0.516 -5.51 -8.1239 -0.9992 1262423 TimTec1_000461 O=C1CCC(=O)N1OCC2CCCN3CCCCC23 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 E22 compound treatment 0.963 0.139 1.44 0.811 0.128 1.37 1.9846 0.9996 3210390 TimTec1_000462 COc1ccc(cc1)c2nnc(SCC(=O)CSc3nnc([nH]3)c4ccc(OC)cc4)[nH]2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 E23 mock treatment 0.785 -0.0388 -0.4 0.686 0.00278 0.03 -0.2632 -0.6531 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 E24 mock treatment 0.812 -0.0118 -0.12 0.637 -0.0462 -0.49 -0.4357 -0.8564 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 F01 compound treatment 1.312 0.488 5.06 1.228 0.545 5.82 7.6907 0.9975 3081761 TimTec1_000463 C(Sc1nnc(c2ccco2)n1c3ccccc3)c4ccccc4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 F02 compound treatment 1.199 0.375 3.89 1.061 0.378 4.04 5.6015 0.9998 1189560 TimTec1_000464 O=C(NCCc1c[nH]c2ccccc12)C3CCCCC3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 F03 compound treatment 1.08 0.256 2.65 0.949 0.266 2.84 3.884 0.9994 3210512 TimTec1_000465 COc1ccc(cc1COc2cccc(Cl)c2)C3C4C(NN=C4C)OC(=C3C#N)N 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 F04 compound treatment 0.886 0.0622 0.64 0.734 0.0508 0.54 0.839 0.9964 3081764 TimTec1_000466 O=c1/c(=C/c2ccc(cc2)N3CCOCC3)/sc4nc5ccccc5n14 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 F05 compound treatment 0.825 0.00119 0.01 0.727 0.0438 0.47 0.3394 0.7254 1511275 TimTec1_000467 CCOC(=O)C1=C(NC(=O)c2cccs2)C(CC=C)C(=S)S1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 F06 compound treatment 1.1 0.276 2.86 1.025 0.342 3.65 4.6046 0.9927 1440881 TimTec1_000468 O=C(CNS(=O)(=O)c1ccccc1)Oc2ccc3ccc(=O)oc3c2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 F07 compound treatment 0.927 0.103 1.07 0.826 0.143 1.53 1.8343 0.9849 3210513 TimTec1_000469 Cc1c(NC(=O)/C=C/c2ccc(Cl)cc2Cl)c(=O)n(c3ccccc3)n1C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 F08 compound treatment 1.132 0.308 3.19 1.054 0.371 3.96 5.058 0.9943 1518488 TimTec1_000470 CCOC(=O)N1CCN(CC1)C(=O)c2ccc3nc(c4ccccc4)c(nc3c2)c5ccccc5 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 F09 compound treatment 0.96 0.136 1.41 0.856 0.173 1.85 2.3026 0.9912 1338448 TimTec1_000471 O=C(CCc1ccccc1)Nc2cccc(NC(=O)CCc3ccccc3)n2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 F10 compound treatment 1.047 0.223 2.31 0.903 0.22 2.35 3.2948 1.0 1388176 TimTec1_000472 O=C(N1CCCCC1)c2cccc(c2)S(=O)(=O)N3CCCCC3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 F11 compound treatment 0.779 -0.0448 -0.46 0.683 -2.19E-4 0.0 -0.3298 -0.7107 1550208 TimTec1_000473 Nc1nc(N)c2sc(Nc3ccccc3)c(C#N)c2n1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 F12 compound treatment 0.873 0.0492 0.51 0.748 0.0648 0.69 0.8496 0.9886 1706746 TimTec1_000474 O=C(NCc1ccco1)c2ccccc2C(=O)c3ncc[nH]3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 F13 compound treatment 0.924 0.1 1.04 0.799 0.116 1.24 1.6084 0.9962 1726053 TimTec1_000475 NC(=O)c1c(SCC#N)nc(cc1c2ccc(F)cc2)C3CC3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 F14 compound treatment 0.868 0.0442 0.46 0.724 0.0408 0.44 0.6317 0.9997 3081820 TimTec1_000476 COC1(OC)N=C(N)C2(C#N)C3CCC(C=C3)C12C#N 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 F15 compound treatment 1.218 0.394 4.08 1.12 0.437 4.67 6.1864 0.9978 1570113 TimTec1_000477 CNC(=S)N(Cc1ccc(OC)cc1OC)c2ccc(cc2)C(C)(C)C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 F16 compound treatment 0.721 -0.103 -1.06 0.632 -0.0512 -0.55 -1.1399 -0.9521 1573637 TimTec1_000478 C[N+]12CCCCC2C(COC(=O)c3ccccn3)CCC1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 F17 compound treatment 0.207 -0.617 -6.39 0.175 -0.508 -5.43 -8.3564 -0.9967 3210514 TimTec1_000479 Cc1ccc(cc1)C(=O)CC(NCCN2CCOCC2)C(=O)O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 F18 compound treatment 0.683 -0.141 -1.46 0.606 -0.0772 -0.82 -1.6146 -0.9636 2120076 TimTec1_000480 Cl/C(=N\c1ccccc1)/c2ccccc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 F19 compound treatment 0.925 0.101 1.05 0.737 0.0538 0.57 1.1473 0.96 3081824 TimTec1_000481 CCN(CC)C(=O)c1ccc[n+](CC(=O)N)c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 F20 compound treatment 0.886 0.0622 0.64 0.771 0.0878 0.94 1.1186 0.9832 1381433 TimTec1_000482 CC(=O)Nc1ccc(cc1)C(=O)N(CC#N)CC#N 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 F21 compound treatment 0.897 0.0732 0.76 0.726 0.0428 0.46 0.8592 0.9707 1233063 TimTec1_000483 Cc1cc(=O)oc2ccc(OCC(=O)N3CCOCC3)cc12 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 F22 compound treatment 1.184 0.36 3.73 1.086 0.403 4.3 5.6805 0.9975 1243176 TimTec1_000484 CC(=O)Oc1ccccc1C(=O)NC(C)(C)C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 F23 mock treatment 0.822 -0.00181 -0.02 0.67 -0.0132 -0.14 -0.1131 -0.7941 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 F24 mock treatment 0.845 0.0212 0.22 0.645 -0.0382 -0.41 -0.1335 -0.2881 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 G01 compound treatment 0.112 -0.712 -7.37 0.109 -0.574 -6.13 -9.5508 -0.9958 1705462 TimTec1_000485 CC(=O)Nc1ccc2NC(C3CC=CC3c2c1)c4cccc(Cl)c4Cl 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 G02 compound treatment 1.013 0.189 1.96 0.889 0.206 2.2 2.94 0.9984 1202595 TimTec1_000486 Cc1cc(C)cc(CC(CC(=O)O)C(=O)NCc2ccccc2)c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 G03 compound treatment 0.94 0.116 1.2 0.713 0.0298 0.32 1.0759 0.8644 1578135 TimTec1_000487 COc1ccc(OC)c(NC(=O)c2cccnc2)c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 G04 compound treatment 1.247 0.423 4.38 1.153 0.47 5.02 6.6481 0.9977 3081828 TimTec1_000488 FC(F)(F)c1ccccc1NC(=O)c2cnccn2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 G05 compound treatment 0.962 0.138 1.43 0.907 0.224 2.39 2.7025 0.9699 3210515 TimTec1_000489 CCOC(=O)C1(NC(=S)N2CCOCC2)Sc3cc(C)ccc3NC1=O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 G06 compound treatment 0.984 0.16 1.66 0.871 0.188 2.01 2.5917 0.9955 1293037 TimTec1_000490 COc1ccc(NC(=O)c2cc(nc3ccccc23)c4cccs4)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 G07 compound treatment 0.858 0.0342 0.35 0.718 0.0348 0.37 0.5131 0.9997 3210516 TimTec1_000491 O=C(Cc1ccccc1)Sc2ncn[nH]2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 G08 compound treatment 1.175 0.351 3.64 1.148 0.465 4.97 6.083 0.9883 3210517 TimTec1_000492 CCOC(=O)c1cnn2c(cc(nc12)c3ccc(OC)cc3)C(F)(F)F 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 G09 compound treatment 0.794 -0.0298 -0.31 0.701 0.0178 0.19 -0.084 -0.2317 3081831 TimTec1_000493 Oc1ccc(Cn2nc(c3ccc(O)cc3)c4ccccc24)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 G10 compound treatment 0.88 0.0562 0.58 0.781 0.0978 1.04 1.1502 0.9618 1071560 TimTec1_000494 CCOC(=O)c1sc(N)c(C(=O)OCC)c1C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 G11 compound treatment 0.627 -0.197 -2.04 0.529 -0.154 -1.65 -2.6064 -0.9944 3210518 TimTec1_000495 Cn1nc(c2ccc(Cl)cc2)c3ccccc13 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 G12 compound treatment 0.906 0.0822 0.85 0.704 0.0208 0.22 0.7589 0.8627 1169828 TimTec1_000496 Cn1nc(cc1C(=O)N2CCOCC2)C(=O)N3CCOCC3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 G13 compound treatment 0.044 -0.78 -8.08 0.041 -0.642 -6.86 -10.5624 -0.9967 1636675 TimTec1_000497 O=C(Sc1cccc2ncccc12)c3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 G14 compound treatment 0.505 -0.319 -3.3 0.401 -0.282 -3.02 -4.4668 -0.999 1539302 TimTec1_000498 CCCc1ccc(OCC(O)CN2CC(C)OC(C)C2)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 G15 compound treatment 0.911 0.0872 0.9 0.767 0.0838 0.9 1.2714 1.0 1391849 TimTec1_000499 Fc1ccccc1C(=O)NC2CCC(CC2)NC(=O)c3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 G16 compound treatment 0.711 -0.113 -1.17 0.57 -0.113 -1.21 -1.6815 -0.9999 3210519 TimTec1_000500 COc1ccccc1OCCNC(=O)c2ccc3CCc4cccc2c43 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 G17 compound treatment 1.109 0.285 2.95 1.045 0.362 3.87 4.8216 0.9912 3081837 TimTec1_000501 COCCN1C(=O)/C(=C\2/C(=O)N(OC)c3ccccc23)/SC1=S 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 G18 compound treatment 0.873 0.0492 0.51 0.716 0.0328 0.35 0.6079 0.9833 1286375 TimTec1_000502 O=C(NCc1cccc2ccccc12)C3(CC4CC5CC(C4)C3)C5 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 G19 compound treatment 0.823 -8.12E-4 -0.01 0.705 0.0218 0.23 0.1586 0.6811 1364575 TimTec1_000503 NCCC(=O)OCC1CCCN2CCCCC12 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 G20 compound treatment 0.874 0.0502 0.52 0.753 0.0698 0.75 0.8947 0.9845 3081904 TimTec1_000504 Cc1ccc(CSc2nc3ccccc3s2)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 G21 compound treatment 0.519 -0.305 -3.16 0.408 -0.275 -2.94 -4.3114 -0.9994 1216012 TimTec1_000505 O=C(COCC1CCCN2CCCCC12)Oc3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 G22 compound treatment 1.074 0.25 2.59 0.999 0.316 3.37 4.2177 0.9915 1654975 TimTec1_000506 O=C(CSCC(=O)c1ccc-2c(Cc3ccccc32)c1)Nc4ccccc4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 G23 mock treatment 0.796 -0.0278 -0.29 0.633 -0.0502 -0.54 -0.583 -0.9575 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 G24 mock treatment 0.854 0.0302 0.31 0.647 -0.0362 -0.39 -0.0525 -0.1056 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 H01 compound treatment 0.978 0.154 1.6 0.876 0.193 2.06 2.5855 0.9921 3081906 TimTec1_000507 C(Sc1nc2ccccc2s1)c3cccc4ccccc34 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 H02 compound treatment 1.251 0.427 4.42 1.209 0.526 5.62 7.1004 0.993 1631930 TimTec1_000508 COc1ccc(cc1OC)c2nnc(o2)c3ccc(cc3)S(=O)(=O)c4ccccc4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 H03 compound treatment 1.008 0.184 1.91 0.867 0.184 1.96 2.7372 0.9999 1266410 TimTec1_000509 NC1=C(C#N)C(C(=C(N)S1)C#N)c2ccncc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 H04 compound treatment 0.944 0.12 1.24 0.839 0.156 1.66 2.057 0.9898 1442167 TimTec1_000510 CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)NCc2ccc3OCOc3c2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 H05 compound treatment 0.966 0.142 1.47 0.826 0.143 1.53 2.1199 0.9998 3210520 TimTec1_000511 Clc1ccc(c2ccc(/C=C(\NC(=O)c3ccccc3)/C(=O)N4CCCC4)o2)c(Cl)c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 H06 compound treatment 1.147 0.323 3.35 1.049 0.366 3.91 5.1301 0.997 1738071 TimTec1_000512 COc1ccccc1N2C(=O)c3ccc(cc3C2=O)c4nc5cc(Cl)ccc5c(=O)o4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 H07 compound treatment 1.121 0.297 3.08 0.998 0.315 3.36 4.5544 0.999 1329849 TimTec1_000513 O=C(Nc1ccc(Oc2ccccc2)cc1)C3CCCO3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 H08 compound treatment 0.909 0.0852 0.88 0.701 0.0178 0.19 0.7582 0.8401 1630279 TimTec1_000514 C(N1CCN(Cc2ccccc2)C1c3ccc4OCOc4c3)c5ccccc5 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 H09 compound treatment 1.036 0.212 2.2 0.873 0.19 2.03 2.9876 0.9992 1681726 TimTec1_000515 NC(=O)C1C(C(=C(N)NC1=S)C#N)c2ccccc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 H10 compound treatment 0.882 0.0582 0.6 0.768 0.0848 0.91 1.0666 0.9804 1578391 TimTec1_000516 CC(=O)OC1(CC(CN(C1)C(C)(C)C)C(C)(C)C)c2ccccc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 H11 compound treatment 1.027 0.203 2.1 0.927 0.244 2.6 3.3296 0.9944 1698115 TimTec1_000517 Brc1ccc(Nc2nc(cs2)c3ccc(cc3)S(=O)(=O)N4CCCCC4)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 H12 compound treatment 1.165 0.341 3.53 1.123 0.44 4.7 5.8209 0.9901 1204133 TimTec1_000518 O=S(=O)(N1CCN(CC1)C(c2ccccc2)c3ccccc3)c4ccccc4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 H13 compound treatment 0.922 0.0982 1.02 0.767 0.0838 0.9 1.352 0.998 1427336 TimTec1_000519 CC(C)N1CCC2(CC1)C(=C(N)NC(=C2C#N)S)C#N 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 H14 compound treatment 0.754 -0.0698 -0.72 0.596 -0.0872 -0.93 -1.1701 -0.9921 1552647 TimTec1_000520 Cn1c(CN2CCCCC2)c(C#N)c3ccccc13 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 H15 compound treatment 1.249 0.425 4.4 1.21 0.527 5.63 7.0933 0.9926 1575250 TimTec1_000521 COc1cccc(CN(C(=S)NCc2ccccc2)c3ccc(F)c(Cl)c3)c1O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 H16 compound treatment 0.795 -0.0288 -0.3 0.681 -0.00222 -0.02 -0.2278 -0.7609 1570436 TimTec1_000522 Oc1ccccc1C(=O)OCC2CCCN3CCCCC23 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 H17 compound treatment 0.483 -0.341 -3.53 0.412 -0.271 -2.9 -4.5448 -0.9952 3210637 TimTec1_000523 OC(=O)C(CC(=O)c1ccc(Br)cc1)NCCc2cc3ccccc3[nH]2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 H18 compound treatment 0.969 0.145 1.5 0.84 0.157 1.67 2.2476 0.9986 1321027 TimTec1_000524 CCc1cccc(C)c1NC(=O)c2ccc(OC(=O)C)cc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 H19 compound treatment 1.062 0.238 2.47 0.942 0.259 2.76 3.6993 0.9984 1312477 TimTec1_000525 CC1=C(C(C(=C(S)N1)C#N)c2ccncc2)C(=O)Nc3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 H20 compound treatment 0.867 0.0432 0.45 0.739 0.0558 0.6 0.7377 0.99 1393948 TimTec1_000526 CCCNC(=O)c1ccc(NC(=O)C)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 H21 compound treatment 1.276 0.452 4.68 1.193 0.51 5.45 7.1626 0.9972 1298760 TimTec1_000527 O=C(NCc1ccc2OCOc2c1)C3CCCCC3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 H22 compound treatment 1.001 0.177 1.84 0.796 0.113 1.2 2.1496 0.9792 1374460 TimTec1_000528 CC(=O)Oc1ccccc1C(=O)N2CCc3ccccc23 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 H23 mock treatment 0.873 0.0492 0.51 0.74 0.0568 0.61 0.7892 0.9962 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 H24 mock treatment 0.745 -0.0788 -0.82 0.662 -0.0212 -0.23 -0.7375 -0.8705 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 I01 compound treatment 1.279 0.455 4.71 1.263 0.58 6.19 7.7134 0.9909 1566570 TimTec1_000529 O=C(N1CCc2c([nH]c3ccccc23)C1c4ccccc4)c5ccccc5 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 I02 compound treatment 0.952 0.128 1.33 0.78 0.0968 1.03 1.6699 0.9924 1193846 TimTec1_000530 OC(=O)CCc1cn(CCC(=O)O)cn1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 I03 compound treatment 1.391 0.567 5.87 1.376 0.693 7.4 9.3872 0.9935 1083948 TimTec1_000531 Clc1ccc(NC(=O)Cc2ccccc2)cc1Cl 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 I04 compound treatment 0.871 0.0472 0.49 0.788 0.105 1.12 1.1371 0.931 1450798 TimTec1_000532 CCOc1ccccc1C(=O)N2CCN(CC2)C(c3ccccc3)c4ccccc4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 I05 compound treatment 0.925 0.101 1.05 0.806 0.123 1.31 1.6686 0.9938 3210638 TimTec1_000533 CCOC(=O)c1c(NC(=O)CN2C(=O)S/C(=C/c3ccc(F)cc3)/C2=O)sc4CCCCc14 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 I06 compound treatment 1.111 0.287 2.97 1.012 0.329 3.51 4.5869 0.9966 1441802 TimTec1_000534 CC1(C)CC(=O)C2=C(C1)Nc3ccccc3N(C2c4ccccc4)C(=O)c5ccccc5 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 I07 compound treatment 1.138 0.314 3.25 1.059 0.376 4.01 5.1397 0.9946 3210639 TimTec1_000535 COc1ccc(CC(=O)Sc2nc3ccccc3s2)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 I08 compound treatment 0.805 -0.0188 -0.19 0.712 0.0288 0.31 0.0796 0.2188 1043205 TimTec1_000536 COc1ccc2Sc3ccccc3Nc2c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 I09 compound treatment 1.319 0.495 5.13 1.312 0.629 6.72 8.3765 0.9911 1647938 TimTec1_000537 O=C(c1ccccc1)c2ccccc2OCc3nc4ccccc4s3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 I10 compound treatment 0.174 -0.65 -6.73 0.162 -0.521 -5.57 -8.6963 -0.9956 1583677 TimTec1_000538 COC(=O)c1c(N)sc2CC(CCc12)C(C)(C)C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 I11 compound treatment 0.306 -0.518 -5.36 0.26 -0.423 -4.52 -6.9893 -0.9964 3210640 TimTec1_000539 OC(=O)c1ccccc1OCC(=O)N2CCCC2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 I12 compound treatment 0.665 -0.159 -1.64 0.588 -0.0952 -1.02 -1.8824 -0.9733 3081983 TimTec1_000540 Fc1ccc(CC(=O)Oc2ccccc2F)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 I13 compound treatment 1.006 0.182 1.89 0.789 0.106 1.13 2.1334 0.9699 1530773 TimTec1_000541 Clc1c(sc2ccccc12)C(=O)NC3CC3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 I14 compound treatment 1.038 0.214 2.22 1.022 0.339 3.62 4.1278 0.9724 1155672 TimTec1_000542 O=C(N(C1CCCC1)C2CCCC2)c3cccc4ccccc34 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 I15 compound treatment 0.85 0.0262 0.27 0.708 0.0248 0.26 0.379 0.9999 1319420 TimTec1_000543 Cc1cc2OCCn2c(=O)c1C(=O)N 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 I16 compound treatment 1.021 0.197 2.04 0.897 0.214 2.28 3.0591 0.9984 3210641 TimTec1_000544 CC(C)c1ccc(C)cc1OCCNC(=O)Nc2ccc(Br)cc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 I17 compound treatment 0.85 0.0262 0.27 0.723 0.0398 0.42 0.4923 0.9765 3081987 TimTec1_000545 Cc1cccc(c1)N2CCC(=N2)/N=C/N3CCOCC3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 I18 compound treatment 0.786 -0.0378 -0.39 0.646 -0.0372 -0.4 -0.5581 -1.0 1266605 TimTec1_000546 O=C(NCc1ccc2OCOc2c1)C3(CC4CC5CC(C4)C3)C5 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 I19 compound treatment 0.667 -0.157 -1.62 0.514 -0.169 -1.81 -2.4267 -0.9986 1545215 TimTec1_000547 O=C(CCN1C(=O)CCC1=O)OCC2CCCN3CCCCC23 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 I20 compound treatment 1.041 0.217 2.25 0.926 0.243 2.59 3.4246 0.9975 3210642 TimTec1_000548 CC(Sc1nnnn1c2ccccc2)C(=O)Nc3c(C)cc(C)cc3C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 I21 compound treatment 0.858 0.0342 0.35 0.715 0.0318 0.34 0.4905 0.9998 1121440 TimTec1_000549 OCCN1CC2CC(C1)c3cccc(=O)n3C2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 I22 compound treatment 0.898 0.0742 0.77 0.808 0.125 1.33 1.4859 0.9657 1565244 TimTec1_000550 O=C(CSC(c1ccccc1)c2ccccc2)Nc3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 I23 mock treatment 0.866 0.0422 0.44 0.636 -0.0472 -0.5 -0.0477 -0.0715 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 I24 mock treatment 0.838 0.0142 0.15 0.704 0.0208 0.22 0.2609 0.9799 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 J01 compound treatment 1.045 0.221 2.29 0.941 0.258 2.75 3.5672 0.9958 3081991 TimTec1_000551 C(Sc1nc2ccccc2o1)c3cccc4ccccc34 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 J02 compound treatment 0.069 -0.755 -7.82 0.047 -0.636 -6.8 -10.334 -0.9976 1373763 TimTec1_000552 CCOc1cc(ccc1OC)C(=S)N2CCOCC2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 J03 compound treatment 0.874 0.0502 0.52 0.729 0.0458 0.49 0.7134 0.9995 1655707 TimTec1_000553 CCOC(=O)c1cccc(c1)c2ccc(o2)C3C4C(OC(=C3C#N)N)c5ccccc5OC4=O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 J04 compound treatment 0.864 0.0402 0.42 0.698 0.0148 0.16 0.406 0.912 3210643 TimTec1_000554 Cc1nc2ccccc2c(=O)n1/N=C/c3ccsc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 J05 compound treatment 1.159 0.335 3.47 1.041 0.358 3.82 5.1575 0.9988 1122674 TimTec1_000555 CCOC(=O)C1=C(NC(=S)NC1C)C2CCC=CC2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 J06 compound treatment 0.88 0.0562 0.58 0.741 0.0578 0.62 0.848 0.9996 1230190 TimTec1_000556 CC(=O)Oc1ccc2nc(CN3C(=O)c4ccccc4C3=O)oc(=O)c2c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 J07 compound treatment 0.506 -0.318 -3.29 0.384 -0.299 -3.2 -4.5879 -0.9999 1236736 TimTec1_000557 O=C(Oc1ccccc1)[C@@H]2[C@@H](c3ccoc3)C(C#N)(C#N)[C@H]4C=Cc5ccccc5N24 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 J08 compound treatment 0.548 -0.276 -2.86 0.472 -0.211 -2.26 -3.6155 -0.9932 1297872 TimTec1_000558 CC(C)OC(=O)Oc1ccc2oc(=O)sc2c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 J09 compound treatment 0.318 -0.506 -5.24 0.278 -0.405 -4.33 -6.7654 -0.9955 1481447 TimTec1_000559 CC(O)(C#Cc1ccccc1)c2ccc(N3CCCCC3)c(F)c2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 J10 compound treatment 1.033 0.209 2.17 0.857 0.174 1.86 2.8448 0.997 1391128 TimTec1_000560 CC1(C)CC(=O)c2cc(c3ccccc3)n(c2C1)c4ccc(cc4)S(=O)(=O)N 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 J11 compound treatment 0.589 -0.235 -2.43 0.485 -0.198 -2.12 -3.217 -0.9976 3210645 TimTec1_000561 FC(F)(F)c1cccc(NCn2nc(oc2=S)c3ccccc3)c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 J12 compound treatment 0.954 0.13 1.35 0.787 0.104 1.11 1.7374 0.9953 1726909 TimTec1_000562 Clc1ccc(cc1)C(=O)NCc2ccc3OCOc3c2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 J13 compound treatment 0.954 0.13 1.35 0.767 0.0838 0.9 1.5863 0.9802 1416599 TimTec1_000563 NC1=C(C#N)C2=CCNCC2C(c3ccccc3)C1(C#N)C#N 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 J14 compound treatment 0.989 0.165 1.71 0.876 0.193 2.06 2.6661 0.9958 3210646 TimTec1_000564 CCCc1cc2c(=O)c(c3ccc4OCCOc4c3)c(oc2c(C=N(C)C)c1O)C(F)(F)F 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 J15 compound treatment 1.249 0.425 4.4 1.205 0.522 5.57 7.0555 0.9932 1693767 TimTec1_000565 CNC(=S)N(Cc1ccc(OC)cc1OC)c2ccc(I)cc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 J16 compound treatment 0.679 -0.145 -1.5 0.587 -0.0962 -1.03 -1.7874 -0.983 1775537 TimTec1_000566 Cc1ccccc1C(=O)OCC2CCCN3CCCCC23 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 J17 compound treatment 0.071 -0.753 -7.8 0.067 -0.616 -6.58 -10.1683 -0.9965 3082061 TimTec1_000567 Cc1ccc(cc1)C(=O)CC(NCCc2c[nH]c3ccccc23)C(=O)O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 J18 compound treatment 1.091 0.267 2.77 0.92 0.237 2.53 3.7455 0.999 1438042 TimTec1_000568 CCN(C(=O)c1ccc(OC(=O)C)cc1)c2ccccc2C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 J19 compound treatment 0.932 0.108 1.12 0.732 0.0488 0.52 1.1608 0.9394 1030998 TimTec1_000569 CCc1nnc(NS(=O)(=O)c2ccc(N)cc2)s1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 J20 compound treatment 1.005 0.181 1.88 0.877 0.194 2.07 2.7908 0.9988 2085724 TimTec1_000570 CCc1cccc(C)c1NC(=O)C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 J21 compound treatment 1.013 0.189 1.96 0.81 0.127 1.35 2.3433 0.9837 1132592 TimTec1_000571 Clc1ccc(Cl)c(c1)S(=O)(=O)n2ccnc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 J22 compound treatment 0.964 0.14 1.45 0.853 0.17 1.81 2.3092 0.9939 1473958 TimTec1_000572 CC(=O)Oc1ccccc1C(=O)NCc2ccc(C)cc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 J23 mock treatment 0.915 0.0912 0.94 0.784 0.101 1.08 1.4291 0.9979 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 J24 mock treatment 0.826 0.00219 0.02 0.684 7.81E-4 0.01 0.0219 0.9079 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 K01 compound treatment 0.555 -0.269 -2.78 0.505 -0.178 -1.9 -3.315 -0.9828 1711757 TimTec1_000573 Clc1c(sc2ccccc12)C(=O)N3CCc4ccccc34 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 K02 compound treatment 1.288 0.464 4.81 1.151 0.468 5.0 6.9332 0.9998 3082065 TimTec1_000574 C(=N/c1nc2ccccc2[nH]1)\N(c3ccccc3)c4ccccc4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 K03 compound treatment 0.608 -0.216 -2.24 0.515 -0.168 -1.8 -2.8513 -0.9942 1572077 TimTec1_000575 O=C(NCCN1CCOCC1)c2ccc(cc2)c3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 K04 compound treatment 1.04 0.216 2.24 0.935 0.252 2.69 3.4853 0.9958 1453184 TimTec1_000576 CCC(C(=O)Nc1c(C)n(C)n(c2ccccc2)c1=O)c3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 K05 compound treatment 0.906 0.0822 0.85 0.714 0.0308 0.33 0.8344 0.9144 1610602 TimTec1_000577 Cc1cccc2nc(Cn3ccccc3=O)cn12 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 K06 compound treatment 1.202 0.378 3.92 1.095 0.412 4.4 5.8804 0.9983 3082068 TimTec1_000578 Clc1ccc(cc1Cl)C(=O)N2CCc3ccccc23 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 K07 compound treatment 1.03 0.206 2.14 0.954 0.271 2.89 3.5556 0.9888 1335233 TimTec1_000579 COc1ccc(CC(=O)Sc2nc3ccccc3o2)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 K08 compound treatment 1.201 0.377 3.91 1.219 0.536 5.72 6.8098 0.9827 1575168 TimTec1_000580 COC(=O)c1ccc(CSc2nc3ccccc3s2)o1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 K09 compound treatment 1.088 0.264 2.74 1.021 0.338 3.61 4.4865 0.9907 1544044 TimTec1_000581 Cc1c([nH]c2ccccc12)c3ccccc3OC(=O)c4ccccc4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 K10 compound treatment 1.089 0.265 2.75 0.98 0.297 3.17 4.1841 0.9974 1742152 TimTec1_000582 CC(C)(C)C1CCc2c(C#N)c(N)sc2C1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 K11 compound treatment 1.02 0.196 2.03 0.885 0.202 2.16 2.9611 0.9996 1582197 TimTec1_000583 CC(C)COc1ccc(OCC(C)C)c(N)c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 K12 compound treatment 0.671 -0.153 -1.58 0.664 -0.0192 -0.21 -1.2643 -0.7922 3210777 TimTec1_000584 Cc1cccc(OC(=O)Cc2ccc(F)cc2)c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 K13 compound treatment 0.827 0.00319 0.03 0.724 0.0408 0.44 0.3314 0.7585 1222918 TimTec1_000585 O=C(NC1CCC(CC2CCC(CC2)NC(=O)c3cccnc3)CC1)c4cccnc4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 K14 compound treatment 0.997 0.173 1.79 0.873 0.19 2.03 2.702 0.9981 1594065 TimTec1_000586 O=C(NCc1ccco1)C(c2ccccc2)c3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 K15 compound treatment 1.215 0.391 4.05 1.143 0.46 4.91 6.3382 0.9954 1561515 TimTec1_000587 CCOC(=O)c1cnc(nc1NCc2ccccc2)c3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 K16 compound treatment 1.149 0.325 3.37 1.063 0.38 4.06 5.2505 0.9957 1376512 TimTec1_000588 O=C(CSCc1ccccc1)NCc2ccc3OCOc3c2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 K17 compound treatment 0.478 -0.346 -3.58 0.413 -0.27 -2.89 -4.5739 -0.9943 3081162 TimTec1_000589 OCCN(CCO)/C=N/C1=NN(CC1)c2ccccc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 K18 compound treatment 0.309 -0.515 -5.33 0.277 -0.406 -4.34 -6.8389 -0.9948 1454649 TimTec1_000590 Clc1ccc(CCNC(=O)C2(CC3CC4CC(C3)C2)C4)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 K19 compound treatment 0.278 -0.546 -5.65 0.235 -0.448 -4.79 -7.3832 -0.9966 1521681 TimTec1_000591 O=C(CNC(=O)c1ccccc1)OCC2CCCN3CCCCC23 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 K20 compound treatment 0.043 -0.781 -8.09 0.043 -0.64 -6.84 -10.5547 -0.9965 1335587 TimTec1_000592 O=C(CSc1cccc2cccnc12)NCc3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 K21 compound treatment 0.914 0.0902 0.93 0.821 0.138 1.47 1.7013 0.9759 1610318 TimTec1_000593 CC(O)CN1CCCCC1c2cccnc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 K22 compound treatment 1.201 0.377 3.91 1.04 0.357 3.81 5.4576 0.9999 1566510 TimTec1_000594 O=C(CSCC(=O)Nc1ccccc1Oc2ccccc2)Nc3ccc4ccccc4c3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 K23 mock treatment 0.857 0.0332 0.34 0.655 -0.0282 -0.3 0.0299 0.0654 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 K24 mock treatment 0.819 -0.00481 -0.05 0.731 0.0478 0.51 0.3257 0.635 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 L01 compound treatment 0.649 -0.175 -1.81 0.576 -0.107 -1.15 -2.0902 -0.9756 1594804 TimTec1_000595 O=C(CSc1nc(c[nH]1)c2ccccc2)c3ccc(cc3)c4ccccc4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 L02 compound treatment 0.978 0.154 1.6 0.86 0.177 1.89 2.4646 0.9965 1439459 TimTec1_000596 CC(=C1C2C=CC1C3C2C(=O)N(Cc4cccnc4)C3=O)C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 L03 compound treatment 0.946 0.122 1.27 0.863 0.18 1.92 2.253 0.9795 3081167 TimTec1_000597 Cc1[nH]nc(O)c1C(C(C#N)C#N)c2ccncc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 L04 compound treatment 1.194 0.37 3.83 1.099 0.416 4.44 5.852 0.9973 1273129 TimTec1_000598 CCc1[nH]c(=S)c(C#N)c(c2ccccc2)c1C(=O)OC 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 L05 compound treatment 1.019 0.195 2.02 0.937 0.254 2.71 3.3466 0.9895 3081169 TimTec1_000599 CN1C(=O)/C(=C/2\SC(=S)N(CC3CCCO3)C2=O)/c4ccccc14 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 L06 compound treatment 0.146 -0.678 -7.02 0.19 -0.493 -5.27 -8.6899 -0.99 1050772 TimTec1_000600 COc1cccc(c1)c2nnc(o2)c3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 L07 compound treatment 1.078 0.254 2.63 0.86 0.177 1.89 3.197 0.9867 3081170 TimTec1_000601 CN(C)c1ccc(cc1)c2oncc2C#N 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 L08 compound treatment 1.146 0.322 3.34 1.045 0.362 3.87 5.0925 0.9973 1311113 TimTec1_000602 O=C(N1CCCCC1)c2cccc(c2)N3C(=O)c4ccccc4C3=O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 L09 compound treatment 0.979 0.155 1.61 0.816 0.133 1.42 2.1396 0.9981 1490753 TimTec1_000603 CC(O)(C#CC1(CC2CC3CC(C2)C1)C3)c4cccs4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 L10 compound treatment 0.937 0.113 1.17 0.795 0.112 1.19 1.6734 1.0 1577974 TimTec1_000604 O=C(NC1CCCCC1)C2CCCN2C(=O)Oc3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 L11 compound treatment 0.965 0.141 1.46 0.8 0.117 1.25 1.9162 0.9969 1352134 TimTec1_000605 Cc1ccc(Nc2nc(cs2)c3ccc(cc3)S(=O)(=O)N4CCCC4)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 L12 compound treatment 0.786 -0.0378 -0.39 0.675 -0.00822 -0.09 -0.339 -0.8447 1230716 TimTec1_000606 Fc1ccc(cc1F)C(=O)OCC2CCCN3CCCCC23 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 L13 compound treatment 0.063 -0.761 -7.88 0.045 -0.638 -6.82 -10.3931 -0.9974 1741888 TimTec1_000607 Cn1c2OC(=C(C#N)C(c3ccccc3)c2c(=O)n(C)c1=O)N 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 L14 compound treatment 1.142 0.318 3.3 1.031 0.348 3.72 4.9575 0.9982 1654001 TimTec1_000608 O=c1oc2ccccc2cc1c3ccc4OCOc4c3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 L15 compound treatment 0.078 -0.746 -7.72 0.069 -0.614 -6.56 -10.1019 -0.9967 3210778 TimTec1_000609 CC(C)(C)c1ccc(cc1)C(=O)CC(NCc2ccccc2)C(=O)O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 L16 compound treatment 0.862 0.0382 0.4 0.797 0.114 1.22 1.1392 0.8912 1345015 TimTec1_000610 CC(O)CN1CC2CC(C1)c3cccc(=O)n3C2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 L17 compound treatment 0.732 -0.0918 -0.95 0.606 -0.0772 -0.82 -1.2557 -0.9975 3210779 TimTec1_000611 CS/C(=N\C#N)/Nc1ccc(Cl)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 L18 compound treatment 1.193 0.369 3.82 1.103 0.42 4.48 5.8749 0.9969 1173928 TimTec1_000612 CC(=O)Oc1ccc(cc1)C(=O)N2CCc3ccccc3C2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 L19 compound treatment 0.9 0.0762 0.79 0.779 0.0958 1.02 1.2815 0.9918 3382 TimTec1_000613 Cc1c(CCO)sc[n+]1Cc2cnc(C)nc2N 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 L20 compound treatment 0.928 0.104 1.08 0.75 0.0668 0.71 1.2675 0.9798 3210780 TimTec1_000614 COc1ccc(CNC(=O)C)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 L21 compound treatment 0.77 -0.0538 -0.56 0.745 0.0618 0.66 0.0726 0.0841 1705753 TimTec1_000615 CC1(OCCO1)c2ccc3noc(c4ccccc4)c3c2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 L22 compound treatment 0.549 -0.275 -2.85 0.422 -0.261 -2.79 -3.9859 -1.0 1592926 TimTec1_000616 CC(C)(C)c1ccc(cc1)C(=O)N(CC#N)CC#N 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 L23 mock treatment 0.895 0.0712 0.74 0.708 0.0248 0.26 0.7085 0.9045 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 L24 mock treatment 0.803 -0.0208 -0.22 0.664 -0.0192 -0.21 -0.2976 -0.9997 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 M01 compound treatment 0.979 0.155 1.61 0.859 0.176 1.88 2.4644 0.997 1026530 TimTec1_000617 Cc1cccc(c1)C(=O)N2CCOCC2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 M02 compound treatment 1.125 0.301 3.12 1.035 0.352 3.76 4.8632 0.9957 3081201 TimTec1_000618 COCn1nc(oc1=S)c2ccccc2Cl 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 M03 compound treatment 1.137 0.313 3.24 1.005 0.322 3.44 4.7244 0.9996 1048496 TimTec1_000619 Cc1ccccc1NC(=O)Cc2ccccc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 M04 compound treatment 1.143 0.319 3.31 1.103 0.42 4.48 5.5087 0.9887 1139431 TimTec1_000620 CCC(Oc1ccccc1)C(=O)Nc2sc3CCCCc3c2C(=O)N 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 M05 compound treatment 1.165 0.341 3.53 1.064 0.381 4.07 5.3752 0.9975 3081204 TimTec1_000621 O=C(NCSc1nc2ccccc2s1)c3ccco3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 M06 compound treatment 0.929 0.105 1.09 0.828 0.145 1.55 1.8641 0.9853 3081205 TimTec1_000622 COC(=O)c1c(I)cnn1C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 M07 compound treatment 0.953 0.129 1.34 0.898 0.215 2.29 2.5686 0.967 3210781 TimTec1_000623 C(/N=C/c1cccnc1)c2ccc3OCOc3c2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 M08 compound treatment 1.085 0.261 2.71 0.992 0.309 3.3 4.2454 0.9951 1442529 TimTec1_000624 Cc1c(cccc1C(=O)c2ccccc2)C(=O)O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 M09 compound treatment 0.918 0.0942 0.98 0.767 0.0838 0.9 1.3227 0.9991 1549357 TimTec1_000625 COc1c(O)cc2CCCC(=O)Cc2c1OC 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 M10 compound treatment 1.332 0.508 5.26 1.362 0.679 7.25 8.8494 0.9876 1364990 TimTec1_000626 CC(C)OC(=O)c1c(N)sc2CC(C)CCc12 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 M11 compound treatment 0.187 -0.637 -6.6 0.204 -0.479 -5.12 -8.2838 -0.9922 1248596 TimTec1_000627 O=C(Cc1ccccc1)Sc2nc3ccccc3[nH]2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 M12 compound treatment 0.934 0.11 1.14 0.829 0.146 1.56 1.9082 0.9883 3210782 TimTec1_000628 NNC(=O)CCCNc1ccc(Cl)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 M13 compound treatment 0.906 0.0822 0.85 0.761 0.0778 0.83 1.1895 0.9999 1664419 TimTec1_000629 O=C(Nc1ccc(Cc2ccc(NC(=O)C3CC3)cc2)cc1)C4CC4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 M14 compound treatment 1.291 0.467 4.84 1.245 0.562 6.0 7.6653 0.9943 3081210 TimTec1_000630 COc1cccc(OCCNC(=O)c2cccc3ccccc23)c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 M15 compound treatment 0.645 -0.179 -1.85 0.543 -0.14 -1.5 -2.3688 -0.9945 1630369 TimTec1_000631 C(Cc1ccco1)C2=NCCn3cccc23 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 M16 compound treatment 0.76 -0.0638 -0.66 0.609 -0.0742 -0.79 -1.028 -0.9959 3210783 TimTec1_000632 CC1CC(CC(C)(C)C1)NC(=O)c2ccc(Br)cc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 M17 compound treatment 0.93 0.106 1.1 0.802 0.119 1.27 1.675 0.9975 2106961 TimTec1_000633 O=S(=O)(Nc1nc2ccccc2nc1[n+]3ccccc3)c4ccccc4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 M18 compound treatment 1.076 0.252 2.61 0.954 0.271 2.89 3.8924 0.9987 1408031 TimTec1_000634 O=C(NCc1ccc2OCOc2c1)c3cc4ccccc4o3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 M19 compound treatment 0.632 -0.192 -1.99 0.563 -0.12 -1.28 -2.3129 -0.9777 1186272 TimTec1_000635 O=C(OCC1CCCN2CCCCC12)C3CCNCC3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 M20 compound treatment 0.998 0.174 1.8 0.934 0.251 2.68 3.1701 0.9815 3210784 TimTec1_000636 S(C(c1ccccc1)c2ccccc2)c3ccccn3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 M21 compound treatment 0.607 -0.217 -2.25 0.501 -0.182 -1.95 -2.9644 -0.9975 1230906 TimTec1_000637 Brc1cccc(c1)C(=O)NCC2CCCN3CCCCC23 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 M22 compound treatment 1.223 0.399 4.13 1.202 0.519 5.54 6.8425 0.9896 3081216 TimTec1_000638 COc1ccc(cc1)c2nnc(SCc3ccc(F)cc3)n2c4ccccc4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 M23 mock treatment 0.867 0.0432 0.45 0.742 0.0588 0.63 0.7603 0.9862 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 M24 mock treatment 0.871 0.0472 0.49 0.731 0.0478 0.51 0.7065 0.9998 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 N01 compound treatment 0.968 0.144 1.49 0.81 0.127 1.35 2.0137 0.9988 3210785 TimTec1_000639 O=C(CSc1ccccn1)NCc2ccccc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 N02 compound treatment 1.199 0.375 3.89 1.151 0.468 5.0 6.2814 0.9923 3081217 TimTec1_000640 CC1CC(C)CN(C1)S(=O)(=O)c2ccc(Cl)cc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 N03 compound treatment 1.107 0.283 2.93 1.01 0.327 3.49 4.5425 0.9962 3210786 TimTec1_000641 Cc1ccc2nc(oc2c1)C3CCCCC3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 N04 compound treatment 1.083 0.259 2.68 0.949 0.266 2.84 3.9059 0.9996 1304545 TimTec1_000642 CC1(O)N(CCc2ccccc2)C(=O)OC31CCCCC3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 N05 compound treatment 0.859 0.0352 0.36 0.783 0.0998 1.07 1.0115 0.8978 3081220 TimTec1_000643 CN1C(=O)/C(=c/2\sc3nc(nn3c2=O)c4ccccc4)/c5ccccc15 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 N06 compound treatment 0.111 -0.713 -7.38 0.175 -0.508 -5.43 -9.0595 -0.9886 1284486 TimTec1_000644 CC1CCN(Cc2cc(Cl)c3cccnc3c2O)CC1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 N07 compound treatment 0.956 0.132 1.37 0.832 0.149 1.59 2.092 0.9972 1505391 TimTec1_000645 CC(Oc1ccccc1OC(=O)C)c2nn(C(=O)C)c3ccccc23 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 N08 compound treatment 0.394 -0.43 -4.45 0.427 -0.256 -2.74 -5.0833 -0.9727 3210905 TimTec1_000646 OCCCn/1c(cs\c1=N/c2ccccc2)c3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 N09 compound treatment 0.958 0.134 1.39 0.827 0.144 1.54 2.0689 0.9988 3210906 TimTec1_000647 CSc1nc(N)nc(SCC(=O)Nc2ccccc2)c1C#N 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 N10 compound treatment 0.879 0.0552 0.57 0.814 0.131 1.4 1.3921 0.9222 1155124 TimTec1_000648 CC(C)CC(C(=O)N)C1=NC(C)(C)Cc2ccccc12 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 N11 compound treatment 1.243 0.419 4.34 1.346 0.663 7.08 8.0767 0.9724 1713559 TimTec1_000649 CSc1nc2ccc(NC(=O)CCc3ccccc3)cc2s1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 N12 compound treatment 0.994 0.17 1.76 0.861 0.178 1.9 2.5894 0.9993 3081224 TimTec1_000650 CC(=C)C1CCC2(C)OC(=O)N(Cc3ccccc3)C12C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 N13 compound treatment 0.542 -0.282 -2.92 0.561 -0.122 -1.31 -2.9871 -0.9342 1489806 TimTec1_000651 Clc1ccc(cc1)C2=CC(c3ccccc3)n4ncnc4N2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 N14 compound treatment 0.863 0.0392 0.41 0.713 0.0298 0.32 0.512 0.9927 1607919 TimTec1_000652 CC(C)C(=O)OCC1CCCN2CCCCC12 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 N15 compound treatment 0.99 0.166 1.72 0.874 0.191 2.04 2.6583 0.9965 3081227 TimTec1_000653 Oc1ccccc1/C=N/c2ncc(cc2Cl)C(F)(F)F 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 N16 compound treatment 0.957 0.133 1.38 0.853 0.17 1.81 2.258 0.9909 1250530 TimTec1_000654 Cc1ccc(C)c(NC(=O)CC(Cc2ccccc2)C(=O)O)c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 N17 compound treatment 0.996 0.172 1.78 0.847 0.164 1.75 2.4983 1.0 3081228 TimTec1_000655 CS/C(=N\C#N)/Nc1ccc(C)c(C)c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 N18 compound treatment 0.928 0.104 1.08 0.805 0.122 1.3 1.683 0.9957 3210907 TimTec1_000656 CCN(CC)C(=O)c1ccc(OC(=O)C)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 N19 compound treatment 0.884 0.0602 0.62 0.791 0.108 1.15 1.255 0.9585 2709 TimTec1_000657 Cc1ncc(CO)c(CO)c1O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 N20 compound treatment 0.829 0.00519 0.05 0.63 -0.0532 -0.57 -0.364 -0.6374 3081230 TimTec1_000658 CCN(Cc1ccccc1)C(=O)C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 N21 compound treatment 1.367 0.543 5.63 1.398 0.715 7.64 9.3777 0.9887 3210908 TimTec1_000659 FC(F)(F)c1nc2ccccc2nc1c3cccc(Cl)c3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 N22 compound treatment 0.614 -0.21 -2.17 0.518 -0.165 -1.77 -2.7847 -0.9947 1661635 TimTec1_000660 CC(C)(C)c1ccc(cc1)C(=O)NCCN2CCOCC2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 N23 mock treatment 0.87 0.0462 0.48 0.759 0.0758 0.81 0.9107 0.9685 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 N24 mock treatment 0.828 0.00419 0.04 0.705 0.0218 0.23 0.1952 0.8247 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 O01 compound treatment 0.84 0.0162 0.17 0.781 0.0978 1.04 0.8572 0.8102 1674716 TimTec1_000661 COc1ccc(CC(=O)N2CCN(CC2)c3ccccc3OC)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 O02 compound treatment 0.936 0.112 1.16 0.83 0.147 1.57 1.9304 0.9891 1336284 TimTec1_000662 COc1c2CC(Oc2nc3ccccc13)C(C)(O)CO 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 O03 compound treatment 0.896 0.0722 0.75 0.77 0.0868 0.93 1.1842 0.9943 1432196 TimTec1_000663 O=C(Cc1ccccc1)NCCN2CCOCC2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 O04 compound treatment 1.074 0.25 2.59 0.977 0.294 3.14 4.0515 0.9955 1552779 TimTec1_000664 CCC(C(=O)Nc1cccc(NC(=O)C)c1)c2ccccc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 O05 compound treatment 1.126 0.302 3.13 1.008 0.325 3.47 4.6665 0.9987 3210909 TimTec1_000665 CC(C)(C)/N=C/1\OC(NC(=S)N1c2ccccc2)(c3ccccc3)C(F)(F)F 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 O06 compound treatment 0.936 0.112 1.16 0.84 0.157 1.67 2.006 0.984 3081248 TimTec1_000666 Cn1ncc(Br)c1C(=O)NN 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 O07 compound treatment 0.069 -0.755 -7.82 0.084 -0.599 -6.4 -10.0545 -0.9951 1391171 TimTec1_000667 O=C(Cc1ccccc1)SC2=NCCS2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 O08 compound treatment 0.579 -0.245 -2.54 0.563 -0.12 -1.28 -2.7011 -0.9503 1548144 TimTec1_000668 Nc1ccccc1N2C(=O)c3ccccc3C2=O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 O09 compound treatment 1.188 0.364 3.77 1.183 0.5 5.34 6.4426 0.9855 1262651 TimTec1_000669 OC(=O)c1ccccc1OCc2ccc3ccccc3n2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 O10 compound treatment 1.049 0.225 2.33 0.867 0.184 1.96 3.0375 0.9963 1660487 TimTec1_000670 Cc1cc(Nc2ccccc2)nc(Nc3ccccc3)n1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 O11 compound treatment 1.108 0.284 2.94 1.036 0.353 3.77 4.7462 0.9925 3210910 TimTec1_000671 N#Cc1cnoc1N2CCCc3ccccc23 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 O12 compound treatment 0.95 0.126 1.31 0.817 0.134 1.43 1.9348 0.999 1484966 TimTec1_000672 CN1CCN(CC(O)COc2ccc3ccccc3c2)CC1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 O13 compound treatment 0.936 0.112 1.16 0.807 0.124 1.32 1.7567 0.9979 1229967 TimTec1_000673 COc1ccc2nc(C)cc(N3CCOCC3)c2c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 O14 compound treatment 1.15 0.326 3.38 1.066 0.383 4.09 5.2805 0.9955 3210911 TimTec1_000674 Cc1ccc(OCCNC(=O)c2ccc(cc2)C(C)(C)C)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 O15 compound treatment 1.115 0.291 3.02 0.973 0.29 3.1 4.3216 0.9999 1008172 TimTec1_000675 O=C(N(C1CCCCC1)C2CCCCC2)c3cccnc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 O16 compound treatment 0.86 0.0362 0.37 0.747 0.0638 0.68 0.7468 0.9604 1563007 TimTec1_000676 CS(=O)(=O)NCc1cccc2ccccc12 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 O17 compound treatment 1.189 0.365 3.78 1.052 0.369 3.94 5.4603 0.9998 3210912 TimTec1_000677 CC1=NN(C(=O)C1/C=C/2\SC(=S)N(CC3CCCO3)C2=O)c4ccccc4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 O18 compound treatment 1.104 0.28 2.9 0.927 0.244 2.6 3.8935 0.9985 1336524 TimTec1_000678 O=C(NCc1ccccn1)C(c2ccccc2)c3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 O19 compound treatment 0.919 0.0952 0.99 0.819 0.136 1.45 1.7228 0.9823 1536621 TimTec1_000679 CC(=O)NCC1CCCN2CCCCC12 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 O20 compound treatment 0.748 -0.0758 -0.79 0.62 -0.0632 -0.68 -1.0328 -0.9972 1425414 TimTec1_000680 CCOc1ccc2nc(SCC(=O)N3CCOCC3)sc2c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 O21 compound treatment 0.142 -0.682 -7.06 0.136 -0.547 -5.85 -9.1271 -0.9956 3210913 TimTec1_000681 C[N+]1(CCOCC2CCC[N+]3(C)CCCCC23)CCCCC1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 O22 compound treatment 0.916 0.0922 0.95 0.755 0.0718 0.77 1.2174 0.9941 3081257 TimTec1_000682 Nc1nnc(SCC(=O)c2ccccc2)s1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 O23 mock treatment 0.824 1.88E-4 0.0 0.724 0.0408 0.44 0.3094 0.7103 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 O24 mock treatment 0.873 0.0492 0.51 0.745 0.0618 0.66 0.8269 0.9918 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 P01 compound treatment 1.245 0.421 4.36 1.154 0.471 5.03 6.641 0.9975 3210914 TimTec1_000683 Cn1nnnc1SC(c2ccccc2)c3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 P02 compound treatment 1.138 0.314 3.25 1.022 0.339 3.62 4.8602 0.9986 1610147 TimTec1_000684 O=C(NC(c1ccccc1)c2ccccc2)c3cccnc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 P03 compound treatment 1.111 0.287 2.97 0.995 0.312 3.33 4.4585 0.9984 3210915 TimTec1_000685 COC(=O)C1=C(C)N=C2SCCC(=O)N2C1c3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 P04 compound treatment 1.019 0.195 2.02 0.935 0.252 2.69 3.3315 0.9901 3210916 TimTec1_000686 CCCCS(=O)(=O)/C=C/C1C(C2CC1C=C2)S(=O)(=O)CCCC 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 P05 compound treatment 1.038 0.214 2.22 0.891 0.208 2.22 3.1382 1.0 3081261 TimTec1_000687 Cc1c(NC(=O)/C(=C/c2ccccc2)/NC(=O)c3ccc(C)cc3)c(=O)n(c4ccccc4)n1C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 P06 compound treatment 1.061 0.237 2.46 0.951 0.268 2.86 3.7599 0.9971 3210917 TimTec1_000688 CCOC(=O)CN(C1=NS(=O)(=O)c2ccccc12)c3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 P07 compound treatment 0.948 0.124 1.29 0.857 0.174 1.86 2.2223 0.9839 1583564 TimTec1_000689 OC(=O)c1ccccc1OCC(=O)NCCN2CCOCC2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 P08 compound treatment 1.011 0.187 1.94 0.949 0.266 2.84 3.3786 0.9827 1715711 TimTec1_000690 CC(C)N(C(C)C)C(=O)c1ccc(cc1)c2nnc(o2)c3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 P09 compound treatment 0.948 0.124 1.29 0.83 0.147 1.57 2.0183 0.9952 1353777 TimTec1_000691 Cc1cc2OC(=C(C#N)C(c3ccc(F)cc3)c2c(=O)o1)N 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 P10 compound treatment 0.889 0.0652 0.68 0.748 0.0648 0.69 0.9668 0.9999 1375739 TimTec1_000692 CN(C)c1ccc(cc1)n2c(=O)c3cc4c(=O)n(c5ccc(cc5)N(C)C)c(=O)c4cc3c2=O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 P11 compound treatment 0.364 -0.46 -4.76 0.337 -0.346 -3.7 -5.9829 -0.9922 1562644 TimTec1_000693 COc1ccc(CNCC2(CCCC2)c3ccccc3)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 P12 compound treatment 0.881 0.0572 0.59 0.711 0.0278 0.3 0.6287 0.949 1540542 TimTec1_000694 Cc1ccc(CCP(=O)(O)CCc2ccc(C)nc2)cn1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 P13 compound treatment 0.283 -0.541 -5.6 0.209 -0.474 -5.07 -7.543 -0.9987 1525917 TimTec1_000695 OC(=O)C(CC(=O)c1ccc(Br)cc1)SC2CCCCC2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 P14 compound treatment 0.72 -0.104 -1.08 0.617 -0.0662 -0.71 -1.2605 -0.9794 1646318 TimTec1_000696 O=C(Cc1ccccc1)OCC2CCCN3CCCCC23 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 P15 compound treatment 0.116 -0.708 -7.33 0.1 -0.583 -6.23 -9.5895 -0.9967 3210918 TimTec1_000697 OC(=O)C(CC(=O)c1ccc(Cl)cc1)NC(c2ccccc2)c3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 P16 compound treatment 0.857 0.0332 0.34 0.754 0.0708 0.76 0.7777 0.9363 3081269 TimTec1_000698 CCCn1c(=O)n(CCC)c2c(C)cc(C)cc12 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 P17 compound treatment 0.048 -0.776 -8.04 0.047 -0.636 -6.8 -10.4878 -0.9965 3210919 TimTec1_000699 OC(=O)C(CC(=O)c1ccc(cc1)C2CCCCC2)N3CCN(CC3)c4ccc5OCOc5c4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 P18 compound treatment 0.404 -0.42 -4.35 0.302 -0.381 -4.07 -5.9543 -0.9995 3081271 TimTec1_000700 CNC(=O)c1ccc(OC(=O)C)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 P19 compound treatment 0.865 0.0412 0.43 0.819 0.136 1.45 1.3274 0.8779 3081273 TimTec1_000701 Cn1cc(I)c(n1)C(=O)O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 P20 compound treatment 1.092 0.268 2.78 1.0 0.317 3.38 4.3571 0.9952 3081274 TimTec1_000702 CCN(C(=O)C)c1ccccc1C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 P21 compound treatment 1.131 0.307 3.18 1.035 0.352 3.76 4.9071 0.9966 1207599 TimTec1_000703 Cc1ccc(cc1C)N2C(=O)c3ccc(cc3C2=O)C(=O)N(CCO)c4ccccc4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 P22 compound treatment 0.898 0.0742 0.77 0.793 0.11 1.17 1.3726 0.979 1637859 TimTec1_000704 Clc1ccc(Cl)c(c1)C(=O)N(CC#N)CC#N 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 P23 mock treatment 0.92 0.0962 1.0 0.786 0.103 1.1 1.4809 0.9988 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2064 P24 mock treatment 0.794 -0.0298 -0.31 0.78 0.0968 1.03 0.5128 0.4752 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 A01 compound treatment 0.587 -0.148 -1.53 0.376 -0.441 -4.72 -4.4195 -0.8912 3209609 TimTec1_001057 FC(F)(F)c1cc(NC(=O)C(=S)N2CCCCC2)cc(c1)C(F)(F)F 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 A02 compound treatment 0.88 0.145 1.5 0.9 0.0826 0.88 1.6847 0.9679 3082986 TimTec1_001058 CCN1C(=C(C#N)C2(CCNCC2)c3nc(C)oc13)N 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 A03 compound treatment 0.837 0.102 1.06 0.942 0.125 1.33 1.6871 0.9934 3082988 TimTec1_001059 Oc1cccc(/C=C\2/NC(=S)SC2=O)c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 A04 compound treatment 1.093 0.358 3.71 1.125 0.308 3.29 4.9443 0.9982 3209610 TimTec1_001060 CCCc1nc2C(C(=C(N)Nc2o1)C#N)c3cnn(c3C)c4ccccc4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 A05 compound treatment 0.699 -0.0361 -0.37 0.741 -0.0764 -0.82 -0.842 -0.9374 1135930 TimTec1_001061 O=C(NCCN1CCCCC1)Nc2cccc3ccccc23 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 A06 compound treatment 0.766 0.0309 0.32 0.803 -0.0144 -0.15 0.1171 0.3297 1680573 TimTec1_001062 COc1cc(OC)cc(c1)C(C(C#N)C#N)c2nc(C)[nH]c2O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 A07 compound treatment 0.555 -0.18 -1.87 0.623 -0.194 -2.08 -2.788 -0.9986 3209611 TimTec1_001063 CCOC(=O)C(N)Cc1ccccc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 A08 compound treatment 1.261 0.526 5.45 1.291 0.474 5.06 7.4287 0.9993 1656439 TimTec1_001064 CCN(CC)C(=S)CSc1nc(cc(c2ccco2)c1C#N)c3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 A09 compound treatment 0.945 0.21 2.17 0.978 0.161 1.72 2.75 0.9931 1709298 TimTec1_001065 COc1ccc2CCC(CC3(O)C(=O)N(C)c4ccccc43)C(=O)c2c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 A10 compound treatment 0.676 -0.0591 -0.61 0.847 0.0296 0.32 -0.2097 -0.3043 1586331 TimTec1_001066 CC1=CC(c2ccoc2)c3c(S1)oc(N)c(C#N)c3=O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 A11 compound treatment 0.164 -0.571 -5.92 0.143 -0.674 -7.21 -9.2775 -0.9952 3083064 TimTec1_001067 Fc1ccc(CSC(=C(C#N)C#N)Nc2ccc(Br)cc2)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 A12 compound treatment 0.36 -0.375 -3.89 0.395 -0.422 -4.51 -5.9384 -0.9972 3209612 TimTec1_001068 CCCN1CC=C2C(C#N)(C#N)C(=C(C)[C@H](c3ccc(cc3)C(=O)OC)[C@@]2(C)C1)N 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 A13 compound treatment 0.925 0.19 1.97 1.056 0.239 2.55 3.1927 0.9918 1679027 TimTec1_001069 CC(C)Oc1ccc(cc1)C2C(=C(N)N(c3oc(C)nc23)c4ccccc4)C#N 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 A14 compound treatment 0.777 0.0419 0.43 0.825 0.00756 0.08 0.3638 0.8246 3209613 TimTec1_001070 CC(C)(C)C1CC=C2[C@H](C1)[C@H](C(=C(N)C2(C#N)C#N)C#N)c3ccsc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 A15 compound treatment 0.995 0.26 2.69 1.065 0.248 2.64 3.7733 1.0 3209614 TimTec1_001071 CN1C2CCC1[C@@H]3[C@H](C(=C(N)C(C#N)(C#N)C3=C2)C#N)c4ccc(Cl)cc4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 A16 compound treatment 0.948 0.213 2.2 1.011 0.194 2.07 3.0212 0.9995 1128630 TimTec1_001072 COc1cc(OC)cc(c1)C2SC(=C(C#N)C(=C2C#N)N)N 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 A17 compound treatment 0.713 -0.0221 -0.23 0.735 -0.0824 -0.88 -0.7848 -0.8624 3083068 TimTec1_001073 COC(=O)C1=C(N)OC2=C(CCCC2=O)C1c3cccnc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 A18 compound treatment 1.218 0.483 5.0 1.271 0.454 4.85 6.9627 0.9999 3209615 TimTec1_001074 Clc1cccc(c1)C(=O)N2CCCC2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 A19 compound treatment 0.371 -0.364 -3.77 0.347 -0.47 -5.03 -6.2205 -0.99 1165075 TimTec1_001075 CCOC(=O)C1=C(S)N(C#N)C(=O)C(C#N)C21CCNCC2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 A20 compound treatment 0.262 -0.473 -4.9 0.32 -0.497 -5.31 -7.2227 -0.9992 3083071 TimTec1_001076 CC(NC(=O)c1ccc(cc1)C(C)(C)C)c2ccccc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 A21 compound treatment 0.734 -0.00113 -0.01 0.795 -0.0224 -0.24 -0.1777 -0.7406 1594569 TimTec1_001077 CCOC(=O)C1=C(N)OC(=C(C#N)C1c2ccccc2)c3cccc(OC)c3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 A22 compound treatment 1.147 0.412 4.27 1.189 0.372 3.97 5.8232 0.9994 1190176 TimTec1_001078 CCOC(=O)C1CCCn2c1nc3sc4CCCCc4c3c2=O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 A23 mock treatment 0.683 -0.0521 -0.54 0.77 -0.0474 -0.51 -0.7401 -0.9995 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 A24 mock treatment 0.623 -0.112 -1.16 0.748 -0.0694 -0.74 -1.3457 -0.9766 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 B01 compound treatment 0.971 0.236 2.44 1.031 0.214 2.28 3.3407 0.9994 3209616 TimTec1_001079 O=c1oc(nc2scc(c3ccccc3)c12)c4ccccc4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 B02 compound treatment 1.034 0.299 3.1 1.037 0.22 2.35 3.8474 0.9906 1252791 TimTec1_001080 CC1(C)CC(=O)C2=C(C1)Nc3ccccc3N(C2c4ccco4)C(=S)Nc5cccc(Cl)c5 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 B03 compound treatment 0.266 -0.469 -4.86 0.26 -0.557 -5.96 -7.6467 -0.9949 3083074 TimTec1_001081 CCC(C)NC(=O)CSc1ccc(Cl)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 B04 compound treatment 0.155 -0.58 -6.01 0.148 -0.669 -7.15 -9.3056 -0.9962 3083076 TimTec1_001082 O=C(CCCCn1cnc2ccccc12)c3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 B05 compound treatment 0.876 0.141 1.46 0.929 0.112 1.19 1.8745 0.995 1133090 TimTec1_001083 C1CC2=C(Nc3ncnn3C2c4ccccc4)c5ccccc5C1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 B06 compound treatment 0.818 0.0829 0.86 0.826 0.00856 0.09 0.6716 0.7781 1354657 TimTec1_001084 CC1CN(C)C(C(C)C21NC(=O)NC2=O)c3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 B07 compound treatment 0.047 -0.688 -7.13 0.045 -0.772 -8.25 -10.8747 -0.9973 3083078 TimTec1_001085 Clc1cnn(Cc2ccccc2)c(=S)c1Cl 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 B08 compound treatment 0.773 0.0379 0.39 0.854 0.0366 0.39 0.5536 1.0 3209617 TimTec1_001086 OC(=O)[C@H]1NC(=O)C1Cc2ccccc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 B09 compound treatment 0.089 -0.646 -6.69 0.07 -0.747 -7.99 -10.3782 -0.9961 1612069 TimTec1_001087 Nc1sc2CCCc2c1C(=O)Nc3ccc(Cl)cc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 B10 compound treatment 0.817 0.0819 0.85 0.857 0.0396 0.42 0.8985 0.9483 3083081 TimTec1_001088 CC/1=NN(C(=O)\C1=C\2/C(=O)Nc3ccccc23)c4ccccc4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 B11 compound treatment 1.215 0.48 4.97 1.225 0.408 4.35 6.5932 0.9978 1674088 TimTec1_001089 Nn1c(nc2ccccc2c1=O)c3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 B12 compound treatment 0.264 -0.471 -4.88 0.331 -0.486 -5.2 -7.125 -0.9995 1517968 TimTec1_001090 O=C(N1CCc2ccccc12)c3cccc4ccccc34 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 B13 compound treatment 1.438 0.703 7.28 1.443 0.626 6.68 9.8732 0.9991 1537974 TimTec1_001091 Nc1sc2CCCCCc2c1C(=O)Nc3cccc(Cl)c3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 B14 compound treatment 0.748 0.0129 0.13 0.827 0.00956 0.1 0.1665 0.9913 3083084 TimTec1_001092 CCCNC(=O)Cn1nc(cc1C)C(F)(F)F 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 B15 compound treatment 0.997 0.262 2.71 1.047 0.23 2.45 3.652 0.9987 3209740 TimTec1_001093 Cc1cc(Br)c(NC(=O)C2C(C)(C)C2(C)C)c(Br)c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 B16 compound treatment 0.893 0.158 1.64 0.931 0.114 1.21 2.0141 0.9892 1410434 TimTec1_001094 CC(C)(C)c1nc2ccccc2c(=O)n1c3ccc(F)cc3F 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 B17 compound treatment 0.588 -0.147 -1.52 0.807 -0.0104 -0.11 -1.1563 -0.7568 3083156 TimTec1_001095 CCOC(=O)c1ccc(/N=C/c2ccc(CC)cc2)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 B18 compound treatment 0.782 0.0469 0.49 0.801 -0.0164 -0.18 0.2191 0.4244 1578203 TimTec1_001096 Fc1ccc(NC(=O)CCC(=O)N(Cc2ccccc2)Cc3ccccc3)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 B19 compound treatment 0.792 0.0569 0.59 0.882 0.0646 0.69 0.9042 0.9969 3083160 TimTec1_001097 CC(=O)Nc1nonc1/N=C\c2ccc(F)cc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 B20 compound treatment 0.76 0.0249 0.26 0.863 0.0456 0.49 0.5264 0.9557 1344731 TimTec1_001098 Fc1ccc(CNC(=O)c2ccccc2C(=O)Cc3ccccc3)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 B21 compound treatment 1.304 0.569 5.89 1.256 0.439 4.69 7.4792 0.9936 1376655 TimTec1_001099 COc1cc(SC)ccc1C(=O)NC2CC2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 B22 compound treatment 0.751 0.0159 0.16 0.784 -0.0334 -0.36 -0.1363 -0.3467 3209741 TimTec1_001100 Oc1ccc(cc1)C(=O)N2Cc3ccccc3N=C2S 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 B23 mock treatment 0.766 0.0309 0.32 0.793 -0.0244 -0.26 0.0415 0.1005 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 B24 mock treatment 0.711 -0.0241 -0.25 0.712 -0.105 -1.13 -0.9732 -0.8435 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 C01 compound treatment 0.962 0.227 2.35 1.027 0.21 2.24 3.2446 0.9997 3209742 TimTec1_001101 Cc1cccc(NC(=O)CSc2nsc(SCC(=O)Nc3cccc(C)c3)c2C#N)c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 C02 compound treatment 0.197 -0.538 -5.57 0.101 -0.716 -7.65 -9.3531 -0.9879 3083163 TimTec1_001102 CCN(CC)c1cc(nc(SCC(=O)c2cccs2)c1C#N)c3cccs3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 C03 compound treatment 0.188 -0.547 -5.67 0.211 -0.606 -6.48 -8.5881 -0.9978 3083164 TimTec1_001103 N=c1sc2ccccc2n1C(=O)OCc3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 C04 compound treatment 0.616 -0.119 -1.23 0.644 -0.173 -1.85 -2.1826 -0.9805 3209743 TimTec1_001104 COc1cccc(c1)[C@@H]2[C@H](N3C=Cc4ccccc4[C@@H]3C2(C#N)C#N)c5ccc(OC)c(F)c5 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 C05 compound treatment 0.857 0.122 1.26 1.138 0.321 3.42 3.3142 0.908 1213390 TimTec1_001105 O=C(CSC1OC2C=CC=CC2=N1)c3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 C06 compound treatment 0.818 0.0829 0.86 0.895 0.0776 0.83 1.1929 0.9998 3209744 TimTec1_001106 CC1CC(=O)C2=C(O1)OC(=C(C#N)C2c3ccccc3C(F)(F)F)N 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 C07 compound treatment 0.828 0.0929 0.96 0.856 0.0386 0.41 0.9715 0.9284 1713226 TimTec1_001107 COc1cc2ccc(=O)oc2c(OC3OC(CO)C(O)C(O)C3O)c1O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 C08 compound treatment 1.07 0.335 3.47 1.151 0.334 3.56 4.9723 0.9999 3083167 TimTec1_001108 Cc1ccc(CSc2nc(ccc2C#N)C(=O)O)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 C09 compound treatment 0.795 0.0599 0.62 0.893 0.0756 0.81 1.0093 0.9915 3209745 TimTec1_001109 COc1cc(cc(OC)c1OC)c2c(C#N)c(SCC#N)nc(N)c2C(=O)OC(C)C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 C10 compound treatment 0.19 -0.545 -5.65 0.198 -0.619 -6.62 -8.6716 -0.9969 3083169 TimTec1_001110 CCc1ccc(cc1)[C@@H]2[C@H]3CN(CC=C3C(C#N)(C#N)C(=C2C#N)N)C(=O)OC 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 C11 compound treatment 1.043 0.308 3.19 1.086 0.269 2.87 4.2835 0.9986 3209746 TimTec1_001111 Fc1cccc(CSC(=C(C#N)C#N)Nc2ccccc2Cl)c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 C12 compound treatment 0.858 0.123 1.27 0.952 0.135 1.44 1.9164 0.9982 3209747 TimTec1_001112 COC(=O)C1=C(N)OC2=C(C1c3ccc(cc3)C(=O)OC)C(=O)CC(C)(C)C2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 C13 compound treatment 0.053 -0.682 -7.06 0.046 -0.771 -8.24 -10.8232 -0.9971 1123898 TimTec1_001113 COC(=O)[C@@]1(C#N)C([C@@H](C#N)N2[C@@H]1C=Cc3ccccc23)c4cc(OC)cc(OC)c4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 C14 compound treatment 1.053 0.318 3.29 1.075 0.258 2.75 4.2737 0.996 1317642 TimTec1_001114 COc1ccc(cc1)c2cc(SCCN3CCOCC3)c(C#N)c(n2)c4ccccc4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 C15 compound treatment 0.934 0.199 2.06 0.99 0.173 1.84 2.76 0.9985 3083174 TimTec1_001115 CCOC(=O)C1=C(N)SC(=C(C#N)C1c2ccco2)c3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 C16 compound treatment 0.77 0.0349 0.36 0.814 -0.00344 -0.04 0.2294 0.632 1197248 TimTec1_001116 Cc1cc2CC(=C(C#N)C(c3cccc(COc4ccccc4Cl)c3)c2c(=O)o1)N 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 C17 compound treatment 0.098 -0.637 -6.6 0.084 -0.733 -7.84 -10.2066 -0.9963 3209748 TimTec1_001117 CCOC(=O)C1=C(OC(=C(C#N)C1c2ccc(cc2)c3ccccc3)N)C(F)(F)F 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 C18 compound treatment 0.706 -0.0291 -0.3 0.782 -0.0354 -0.38 -0.481 -0.9937 3083176 TimTec1_001118 CC1CCN(CC1)C(=O)c2ccc(cc2)C(C)(C)C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 C19 compound treatment 0.645 -0.0901 -0.93 0.749 -0.0684 -0.73 -1.177 -0.9927 3209749 TimTec1_001119 CC1=C(C#N)C(C2=C(CC(CC2=O)c3ccc(Br)cc3)O1)c4ccccc4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 C20 compound treatment 0.796 0.0609 0.63 0.81 -0.00744 -0.08 0.3896 0.6131 3083178 TimTec1_001120 CC(=O)NC(c1ccccc1)c2ccccc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 C21 compound treatment 0.937 0.202 2.09 0.974 0.157 1.67 2.6611 0.9939 3209750 TimTec1_001121 COc1ccc(cc1OC)C(=O)COC2=C(C#N)C3(CCCC3)C(C#N)C(=S)N2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 C22 compound treatment 1.306 0.571 5.91 1.294 0.477 5.09 7.7809 0.9972 3083180 TimTec1_001122 C1CCc2c(C1)sc3ncnc(Sc4ccccc4)c23 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 C23 mock treatment 0.698 -0.0371 -0.38 0.763 -0.0544 -0.58 -0.6831 -0.9798 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 C24 mock treatment 0.756 0.0209 0.22 0.779 -0.0384 -0.41 -0.1375 -0.2963 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 D01 compound treatment 1.213 0.478 4.95 1.22 0.403 4.3 6.5408 0.9976 1699716 TimTec1_001123 CCc1nc2sc(C)c(C)c2c(=O)n1N 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 D02 compound treatment 0.664 -0.0711 -0.74 0.789 -0.0284 -0.3 -0.7357 -0.9233 3209751 TimTec1_001124 CC1(C)C(C(=O)NN2C(=O)c3ccccc3C2=O)C1(C)C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 D03 compound treatment 0.563 -0.172 -1.78 0.654 -0.163 -1.75 -2.4952 -0.9999 3082090 TimTec1_001125 CC(C)(C)NC(=O)CSc1ccc(Cl)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 D04 compound treatment 0.283 -0.452 -4.68 0.174 -0.643 -6.87 -8.1718 -0.9825 1162107 TimTec1_001126 CC(C)N1CCC2(CC1)C(=C(O)NC3=C2C(=O)CC(C)(C)C3)C#N 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 D05 compound treatment 0.829 0.0939 0.97 0.855 0.0376 0.4 0.9713 0.9234 3209752 TimTec1_001127 COc1ccc(cc1)N2Cc3ccccc3C4(CCOCC4)C2=N 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 D06 compound treatment 1.181 0.446 4.62 1.24 0.423 4.51 6.4575 0.9999 3209753 TimTec1_001128 COc1ccc(/N=C(\C)/c2c([nH]n(c3nc4ccccc4s3)c2=O)C(F)(F)F)cc1OC 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 D07 compound treatment 1.311 0.576 5.96 1.342 0.525 5.6 8.1801 0.9995 1727579 TimTec1_001129 Clc1c(NCC2CCCO2)cnn(Cc3ccccc3)c1=O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 D08 compound treatment 0.934 0.199 2.06 0.968 0.151 1.61 2.5939 0.9925 3082095 TimTec1_001130 Cc1ccc(cc1)C2=NNC(=S)C3=CNc4ccccc4N23 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 D09 compound treatment 1.008 0.273 2.83 1.059 0.242 2.58 3.8232 0.999 1199669 TimTec1_001131 CCOc1ccc(NC(=O)c2c(N)sc3CCCc23)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 D10 compound treatment 0.994 0.259 2.68 1.005 0.188 2.0 3.3128 0.9897 1714748 TimTec1_001132 NC(=O)CSc1nc2CC3=C(CCC3)c2c(=O)n1c4ccccc4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 D11 compound treatment 0.813 0.0779 0.81 0.762 -0.0554 -0.59 0.1515 0.1514 1348333 TimTec1_001133 O=c1oc(nc2ccccc12)c3ccccn3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 D12 compound treatment 0.197 -0.538 -5.57 0.119 -0.698 -7.46 -9.2171 -0.9897 1118692 TimTec1_001134 O=C(N1CCCc2ccccc12)c3cccc4ccccc34 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 D13 compound treatment 0.561 -0.174 -1.8 0.535 -0.282 -3.02 -3.4088 -0.9697 1352264 TimTec1_001135 CN(C)C(=O)c1c(NC(=O)c2ccc(C)cc2)sc3CCCCCc13 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 D14 compound treatment 0.866 0.131 1.36 0.888 0.0706 0.75 1.4915 0.9616 3209754 TimTec1_001136 CCc1c(C)sc(NC(=O)/C=C/c2ccc(F)cc2)c1C(=O)OC 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 D15 compound treatment 0.64 -0.0951 -0.99 0.624 -0.193 -2.07 -2.1579 -0.9426 3082099 TimTec1_001137 C=CC[n+]1ccc2ccccc2c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 D16 compound treatment 0.602 -0.133 -1.38 0.472 -0.345 -3.69 -3.5845 -0.9099 3209755 TimTec1_001138 FC(F)(F)c1cccc(c1)C(=O)Oc2ccc(cc2)C3SCCS3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 D17 compound treatment 1.255 0.52 5.38 1.214 0.397 4.24 6.803 0.993 3082101 TimTec1_001139 CCOc1ccc2ccccc2c1/C=N/c3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 D18 compound treatment 1.039 0.304 3.15 1.026 0.209 2.23 3.801 0.9857 1260565 TimTec1_001140 Clc1ccc(NC(=O)CN2CCCc3ccccc23)cc1Cl 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 D19 compound treatment 0.843 0.108 1.12 0.862 0.0446 0.48 1.1267 0.9277 1408681 TimTec1_001141 NNC(=O)c1cccc(Cn2cccn2)c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 D20 compound treatment 0.916 0.181 1.87 0.91 0.0926 0.99 2.0239 0.9554 3209756 TimTec1_001142 CC(C)Cn1c(=O)c2ccccc2[nH]c1=S 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 D21 compound treatment 0.777 0.0419 0.43 0.862 0.0446 0.48 0.6433 0.9989 1521586 TimTec1_001143 Cc1ccccc1OCc2nnc(SCC(=O)N)n2C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 D22 compound treatment 1.055 0.32 3.31 1.059 0.242 2.58 4.1674 0.9924 3209757 TimTec1_001144 COc1ccc(/C=N/C2=NNC(=O)C(CC(=O)O)S2)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 D23 mock treatment 0.712 -0.0231 -0.24 0.821 0.00356 0.04 -0.1424 -0.5874 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 D24 mock treatment 0.663 -0.0721 -0.75 0.803 -0.0144 -0.15 -0.6373 -0.8355 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 E01 compound treatment 0.802 0.0669 0.69 0.814 -0.00344 -0.04 0.4638 0.6687 1632993 TimTec1_001145 NC(=O)c1cnn2c(N)c(C#N)cnc12 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 E02 compound treatment 0.274 -0.461 -4.78 0.45 -0.367 -3.93 -6.1528 -0.9953 1454243 TimTec1_001146 CC(C)OC(=O)C1=C(C)SC(=C(C#N)C1c2ccc(cc2)C(C)C)N 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 E03 compound treatment 0.452 -0.283 -2.93 0.47 -0.347 -3.71 -4.6981 -0.9932 3082105 TimTec1_001147 COc1cc(/C=N\C2=NN(CC2)c3ccccc3)ccc1O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 E04 compound treatment 0.367 -0.368 -3.81 0.293 -0.524 -5.6 -6.6577 -0.9824 3209876 TimTec1_001148 C[C@@H]1[C@H](N2C=Cc3ccccc3[C@@H]2C1(C#N)C#N)c4ccc(F)c(Br)c4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 E05 compound treatment 0.881 0.146 1.51 0.986 0.169 1.8 2.3417 0.9962 1448274 TimTec1_001149 Cc1ccc2cccc(SC(=O)NCC3CCCO3)c2n1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 E06 compound treatment 0.806 0.0709 0.73 0.938 0.121 1.29 1.4298 0.9645 3082108 TimTec1_001150 NC1=C(C#N)C(C2=C(O1)C(=O)CCC2)c3ccccc3C(F)(F)F 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 E07 compound treatment 0.881 0.146 1.51 0.921 0.104 1.11 1.8507 0.9883 1046360 TimTec1_001151 CC(=O)OCC1OC(C(OC(=O)C)C1OC(=O)C)n2ccc(=O)[nH]c2=O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 E08 compound treatment 1.144 0.409 4.23 1.156 0.339 3.62 5.552 0.9969 1129068 TimTec1_001152 CN1CCc2c(nc(OCc3ccccc3Br)c(C#N)c2C1)c4cccs4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 E09 compound treatment 0.906 0.171 1.77 0.932 0.115 1.22 2.1168 0.9838 3082110 TimTec1_001153 CSc1nc(SCC(=O)c2ccc3OCOc3c2)nc(N)c1C#N 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 E10 compound treatment 1.169 0.434 4.49 1.18 0.363 3.87 5.9164 0.9973 1730487 TimTec1_001154 Cc1nc(C(=O)N)c(NCC=C)s1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 E11 compound treatment 1.023 0.288 2.98 1.028 0.211 2.25 3.6989 0.9903 1334043 TimTec1_001155 COc1cc2CCN(Cc2cc1OC)C(=O)Cn3c(C)cc(C)c(C#N)c3=S 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 E12 compound treatment 0.833 0.0979 1.01 0.894 0.0766 0.82 1.2952 0.9943 1513685 TimTec1_001156 O=C(c1ccccc1)[C@@]2(C[C@@H](C#N)N3[C@@H]2C=Cc4ccccc34)C#N 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 E13 compound treatment 1.437 0.702 7.27 1.422 0.605 6.46 9.7072 0.9983 1696559 TimTec1_001157 CCN(CC)c1c(C#N)c(SCC(=O)c2cccs2)cc3CCCCc13 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 E14 compound treatment 0.828 0.0929 0.96 0.908 0.0906 0.97 1.3643 1.0 3209877 TimTec1_001158 CCOC(=O)N1CC=C2C(C1)C(C(=C(N)C2(C#N)C#N)C#N)c3cccc(c3)C(F)(F)F 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 E15 compound treatment 1.021 0.286 2.96 1.037 0.22 2.35 3.7522 0.9933 1628055 TimTec1_001159 OC(=O)c1ccc(cc1)c2cc(c3cccs3)c(C#N)c(SCc4cccs4)n2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 E16 compound treatment 1.057 0.322 3.33 1.069 0.252 2.69 4.2576 0.9943 1516512 TimTec1_001160 CC1=C(C(C(=C(S)S1)C#N)c2ccc[nH]2)C(=O)OCc3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 E17 compound treatment 0.825 0.0899 0.93 0.843 0.0256 0.27 0.8513 0.8776 1382001 TimTec1_001161 COc1cc(OC)cc(c1)C2C(=C(N)Nc3oc(C)nc23)C#N 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 E18 compound treatment 0.945 0.21 2.17 1.02 0.203 2.16 3.0672 1.0 3082493 TimTec1_001162 CC(C)(C)c1ccc(cc1)C(=O)N2CCCC2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 E19 compound treatment 0.999 0.264 2.73 1.059 0.242 2.58 3.7573 0.9996 3082494 TimTec1_001163 FC(F)(F)c1cc(c2cccs2)c(C#N)c(S)n1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 E20 compound treatment 1.145 0.41 4.25 1.168 0.351 3.75 5.65 0.998 3209878 TimTec1_001164 CC1(C)C(C(=O)Nc2ccccc2C(F)(F)F)C1(C)C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 E21 compound treatment 0.388 -0.347 -3.6 0.637 -0.18 -1.93 -3.9052 -0.9573 3209879 TimTec1_001165 CC(C)N1C/C(=C\c2ccccc2)/C(=O)\C(=C/c3ccccc3)\C1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 E22 compound treatment 0.05 -0.685 -7.1 0.642 -0.175 -1.87 -6.3428 -0.8642 1473801 TimTec1_001166 CCOC(=O)c1c(N)sc2c(OCC)c(Br)ccc12 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 E23 mock treatment 0.688 -0.0471 -0.49 0.772 -0.0454 -0.49 -0.6884 -1.0 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 E24 mock treatment 0.66 -0.0751 -0.78 0.774 -0.0434 -0.46 -0.8783 -0.9695 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 F01 compound treatment 1.041 0.306 3.17 1.133 0.316 3.37 4.6239 0.9995 1148234 TimTec1_001167 Cc1sc(NC(=O)c2ccccc2)c(C(=O)N3CCCCC3)c1C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 F02 compound treatment 0.901 0.166 1.72 0.909 0.0916 0.98 1.9065 0.9644 3082495 TimTec1_001168 NCc1c[nH]nc1c2ccccc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 F03 compound treatment 1.418 0.683 7.07 1.455 0.638 6.81 9.8173 0.9998 3082496 TimTec1_001169 CCCCC(=O)c1ccc(C)[nH]c1=S 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 F04 compound treatment 1.056 0.321 3.32 1.107 0.29 3.09 4.5374 0.9994 3209880 TimTec1_001170 FC(F)(F)c1cc([nH]c(=S)c1C#N)c2ccccc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 F05 compound treatment 0.821 0.0859 0.89 0.897 0.0796 0.85 1.2299 0.9997 1552345 TimTec1_001171 OC1CS(=O)(=O)CC1NCc2ccco2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 F06 compound treatment 0.111 -0.624 -6.46 0.113 -0.704 -7.53 -9.8923 -0.9971 3209881 TimTec1_001172 Cn1ncc(Br)c1c2nc3ccccc3[nH]2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 F07 compound treatment 1.392 0.657 6.8 1.389 0.572 6.11 9.1284 0.9985 1231705 TimTec1_001173 Clc1c(NCCc2ccccc2)cnn(c3ccccc3)c1=O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 F08 compound treatment 0.999 0.264 2.73 1.028 0.211 2.25 3.5231 0.9953 3082497 TimTec1_001174 COc1ccc(cc1)C2=NNC(=S)C3=CNc4ccccc4N23 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 F09 compound treatment 0.891 0.156 1.61 0.946 0.129 1.37 2.1127 0.9968 1268647 TimTec1_001175 O=C(Nc1ccccc1)c2c(NC(=O)c3ccccc3)sc4CCCCc24 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 F10 compound treatment 0.958 0.223 2.31 0.995 0.178 1.9 2.9736 0.9952 1547144 TimTec1_001176 CC(NC(=O)CSc1nc2CC3=C(CCCC3)c2c(=O)n1C)c4ccccc4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 F11 compound treatment 0.668 -0.0671 -0.7 0.576 -0.241 -2.58 -2.3155 -0.8668 1204419 TimTec1_001177 CC1CCc2c(C(=O)Nc3ccc(Cl)cc3)c(N)sc2C1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 F12 compound treatment 0.538 -0.197 -2.04 0.535 -0.282 -3.02 -3.5772 -0.9819 1256297 TimTec1_001178 C(Cc1ccco1)C2NCCn3cccc23 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 F13 compound treatment 1.475 0.74 7.66 1.459 0.642 6.85 10.265 0.9985 1201070 TimTec1_001179 CCOC(=O)c1c(NC(=O)C)sc2CCCCCc12 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 F14 compound treatment 1.159 0.424 4.39 1.19 0.373 3.98 5.9187 0.9988 1590373 TimTec1_001180 CC(NC(=O)CC(c1ccccc1)c2ccccc2)c3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 F15 compound treatment 0.82 0.0849 0.88 0.885 0.0676 0.72 1.132 0.9952 1021946 TimTec1_001181 OC(=O)C1CCCN1C(=O)OCc2ccccc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 F16 compound treatment 0.786 0.0509 0.53 0.826 0.00856 0.09 0.4373 0.8176 3209882 TimTec1_001182 CCOc1ccc(cc1)N2C(=O)CCC2=O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 F17 compound treatment 1.445 0.71 7.35 1.444 0.627 6.69 9.932 0.9989 3209883 TimTec1_001183 CCn1c2C(=O)CCCc2c3cc(Br)ccc13 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 F18 compound treatment 0.833 0.0979 1.01 0.895 0.0776 0.83 1.3027 0.995 1674582 TimTec1_001184 OCCN(CC(=O)Nc1ccc(F)cc1)C(=O)c2ccc(Cl)cc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 F19 compound treatment 1.004 0.269 2.78 1.016 0.199 2.12 3.4691 0.991 1384058 TimTec1_001185 Cc1ccc2oc3nc(N)c(cc3c(=O)c2c1)c4ccc(Cl)cc4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 F20 compound treatment 0.831 0.0959 0.99 0.912 0.0946 1.01 1.4165 1.0 1143739 TimTec1_001186 CC(C)Cn1c(SCC(=O)Nc2ccc(F)cc2F)nc3ccccc3c1=O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 F21 compound treatment 0.86 0.125 1.29 0.899 0.0816 0.87 1.5307 0.9815 1602491 TimTec1_001187 COC(=O)c1ccc(NC(=O)CSC(=S)N2CCOCC2)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 F22 compound treatment 0.668 -0.0671 -0.7 0.736 -0.0814 -0.87 -1.1068 -0.9938 3082498 TimTec1_001188 Brc1ccc(cc1)C(=O)CN2CCCC2=N 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 F23 mock treatment 0.771 0.0359 0.37 0.856 0.0386 0.41 0.554 0.9987 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 F24 mock treatment 0.73 -0.00513 -0.05 0.865 0.0476 0.51 0.3218 0.6298 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 G01 compound treatment 0.798 0.0629 0.65 0.834 0.0166 0.18 0.5856 0.8678 1278450 TimTec1_001189 CCOC(=O)c1cnn2c(N)c(C#N)cnc12 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 G02 compound treatment 0.862 0.127 1.31 0.913 0.0956 1.02 1.6511 0.9922 1287956 TimTec1_001190 NC1=C(C#N)C(c2ccccc2Cl)c3c(S1)oc(cc3=O)c4ccccc4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 G03 compound treatment 0.997 0.262 2.71 1.067 0.25 2.67 3.8031 1.0 1053983 TimTec1_001191 COC(=O)C1CNc2ccccc2C1=O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 G04 compound treatment 0.798 0.0629 0.65 0.836 0.0186 0.2 0.6007 0.8824 3082499 TimTec1_001192 COC(=O)C1=C(N)OC(=C(C#N)C1c2ccncc2)OC 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 G05 compound treatment 1.034 0.299 3.1 1.069 0.252 2.69 4.0892 0.9975 3209884 TimTec1_001193 CC1=CC(C)(C)CC(=S)N1c2cccc(F)c2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 G06 compound treatment 0.053 -0.682 -7.06 0.048 -0.769 -8.22 -10.8081 -0.9972 3082500 TimTec1_001194 NC1=C(C#N)C(=C(C#N)C(S1)c2cccs2)N 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 G07 compound treatment 0.951 0.216 2.24 0.977 0.16 1.7 2.7863 0.991 3209885 TimTec1_001195 O=C1CNC(=S)N1c2ccccc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 G08 compound treatment 1.044 0.309 3.2 1.104 0.287 3.06 4.4268 0.9998 1277858 TimTec1_001196 Cc1c2cc(sc2nc3c(O)cc(=O)[nH]c13)c4cccs4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 G09 compound treatment 0.809 0.0739 0.77 0.914 0.0966 1.03 1.2705 0.9892 1296353 TimTec1_001197 CCOC(=O)c1nc2C(C(=C(N)Oc2[nH]1)C#N)c3ccncc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 G10 compound treatment 1.356 0.621 6.43 1.345 0.528 5.64 8.5323 0.9978 3209886 TimTec1_001198 OC(=O)c1c(SC(C#N)c2ccc(Cl)cc2)nc(cc1c3ccccc3)c4cccs4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 G11 compound treatment 1.15 0.415 4.3 1.155 0.338 3.61 5.5884 0.9962 1298662 TimTec1_001199 COC(=O)C1=C(C)NC(=C(C#N)C1c2ccc3OCCOc3c2)SCC(=O)c4cccs4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 G12 compound treatment 0.944 0.209 2.16 0.972 0.155 1.65 2.6973 0.9911 1652210 TimTec1_001200 COC(=O)C1=C(N)OC(=C(C1c2ccc(OC)c(OC)c2)C(=O)OC)CC#N 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 G13 compound treatment 0.876 0.141 1.46 0.974 0.157 1.67 2.2144 0.9977 1672888 TimTec1_001201 Oc1cc(=O)c2sc3nc(c4cccnc4)c5CCCCc5c3c2[nH]1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 G14 compound treatment 0.821 0.0859 0.89 0.85 0.0326 0.35 0.8749 0.9161 1564023 TimTec1_001202 CC(C)c1ccc(cc1)C2C3CN(C)CC=C3C(C#N)(C#N)C(=C2C#N)N 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 G15 compound treatment 0.768 0.0329 0.34 0.798 -0.0194 -0.21 0.0939 0.2355 3210009 TimTec1_001203 COC(=O)C1=CN2[C@@H](C#N)[C@H](c3cccnc3)C(C2C=C1)(C(=O)OC)C(=O)OC 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 G16 compound treatment 1.345 0.61 6.32 1.327 0.51 5.44 8.3158 0.9973 1397215 TimTec1_001204 CCNC(=O)c1sc(C)nc1N 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 G17 compound treatment 1.206 0.471 4.88 1.219 0.402 4.29 6.482 0.998 3082503 TimTec1_001205 CSc1nc(SCC(=O)C(C)C)nc(N)c1C#N 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 G18 compound treatment 0.58 -0.155 -1.61 0.608 -0.209 -2.24 -2.7182 -0.9868 1115621 TimTec1_001206 CC(=O)Nc1nc2ccccc2s1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 G19 compound treatment 1.336 0.601 6.22 1.344 0.527 5.63 8.3783 0.9987 3210010 TimTec1_001207 NC1=C(C#N)C(c2ccc(Br)cc2)c3c(N1)c4ccccc4oc3=O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 G20 compound treatment 1.243 0.508 5.26 1.246 0.429 4.58 6.9569 0.9976 1129886 TimTec1_001208 CC1(C)C(C(=O)Nc2ccccc2C#N)C1(C)C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 G21 compound treatment 0.893 0.158 1.64 0.895 0.0776 0.83 1.7421 0.9504 1646804 TimTec1_001209 CC1=CC(=C(C#N)C(=S)C1CC(=O)c2cccs2)c3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 G22 compound treatment 1.029 0.294 3.04 1.071 0.254 2.71 4.0677 0.9983 1362352 TimTec1_001210 Cc1ccc(cc1)S(=O)(=O)N(CCO)c2cc3CCCCc3s2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 G23 mock treatment 0.751 0.0159 0.16 0.772 -0.0454 -0.49 -0.227 -0.4429 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 G24 mock treatment 0.665 -0.0701 -0.73 0.823 0.00556 0.06 -0.4715 -0.6471 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 H01 compound treatment 1.011 0.276 2.86 0.972 0.155 1.65 3.188 0.966 1120313 TimTec1_001211 Cn1c2C(=O)CCCCc2c3cc(ccc13)C4CCCCC4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 H02 compound treatment 0.115 -0.62 -6.42 0.111 -0.706 -7.55 -9.8781 -0.9968 3082508 TimTec1_001212 CC/1=NN(C(=O)\C1=C/c2c[nH]nc2c3ccccc3)c4ccccc4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 H03 compound treatment 0.886 0.151 1.56 0.901 0.0836 0.89 1.7362 0.9647 1013623 TimTec1_001213 NC(=O)c1nnn(Cc2ccccc2)c1N 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 H04 compound treatment 0.975 0.24 2.48 1.049 0.232 2.47 3.506 1.0 3210011 TimTec1_001214 FC(F)(F)c1cc(oc(=S)c1C#N)c2cccs2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 H05 compound treatment 0.887 0.152 1.57 0.879 0.0616 0.66 1.5773 0.9251 1733044 TimTec1_001215 NC(=O)c1ccc(nc1)N2CCN(CC2)C(c3ccccc3)c4ccccc4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 H06 compound treatment 1.11 0.375 3.88 1.187 0.37 3.95 5.5372 1.0 1733896 TimTec1_001216 O=C(NCCC(c1ccccc1)c2ccccc2)c3cc4ccccc4c(=O)o3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 H07 compound treatment 0.847 0.112 1.16 0.919 0.102 1.09 1.5865 0.9995 1785401 TimTec1_001217 Clc1c(NCC2CCCO2)cn[nH]c1=O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 H08 compound treatment 0.537 -0.198 -2.05 0.539 -0.278 -2.97 -3.5544 -0.9836 3210012 TimTec1_001218 Cc1cc(C)c(C(=O)N2Cc3ccccc3N=C2S)c(C)c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 H09 compound treatment 1.047 0.312 3.23 0.19 -0.627 -6.7 -2.4558 -0.33 1181388 TimTec1_001219 O=C(Nc1ccccc1)C(=C2CCCC2)C#N 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 H10 compound treatment 0.8 0.0649 0.67 0.823 0.00556 0.06 0.5171 0.7667 1174029 TimTec1_001220 C(N1CCN(Cc2ccccc2)C1c3ccco3)c4ccccc4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 H11 compound treatment 0.888 0.153 1.58 0.922 0.105 1.12 1.9095 0.9854 1687568 TimTec1_001221 O=C(Nc1ccccc1C(=O)Nc2ccccc2)c3cccs3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 H12 compound treatment 0.954 0.219 2.27 0.986 0.169 1.8 2.8763 0.9935 1393827 TimTec1_001222 CCc1ccc(cc1)C(=O)CC2OC(=O)c3c2ccc(OC)c3OC 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 H13 compound treatment 0.789 0.0539 0.56 0.855 0.0376 0.4 0.6783 0.9869 1145002 TimTec1_001223 CCC(=O)Nc1sc2CCCCCc2c1C(=O)N3CCCCC3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 H14 compound treatment 1.028 0.293 3.03 1.05 0.233 2.48 3.9017 0.9951 3210013 TimTec1_001224 Clc1ccc(SC2CC(=O)N(C2=O)c3ccc(Br)cc3)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 H15 compound treatment 0.625 -0.11 -1.14 0.617 -0.2 -2.14 -2.3207 -0.9565 1022241 TimTec1_001225 O=C1CCN(N1)c2ccccc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 H16 compound treatment 0.688 -0.0471 -0.49 0.736 -0.0814 -0.87 -0.9603 -0.9627 3082550 TimTec1_001226 CC(C)(C)c1ccc(cc1)N2C(=O)CCC2=O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 H17 compound treatment 0.717 -0.0181 -0.19 0.733 -0.0844 -0.9 -0.7706 -0.8363 3210014 TimTec1_001227 N/N=C/1\CCCc2c1[nH]c3ccc(cc23)C(F)(F)F 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 H18 compound treatment 1.117 0.382 3.96 1.128 0.311 3.32 5.1427 0.9962 1154220 TimTec1_001228 Cc1n[nH]c2oc(=O)c(Cc3cccc(C)c3)c(C)c12 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 H19 compound treatment 1.005 0.27 2.8 1.051 0.234 2.5 3.7408 0.9984 1503917 TimTec1_001229 Clc1ccc(cc1)C(=O)c2oc3ccccc3c2c4cnn(c4)c5ccccc5 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 H20 compound treatment 1.065 0.33 3.42 1.085 0.268 2.86 4.4371 0.9961 1445779 TimTec1_001230 Fc1ccc(CSc2nc3ccccc3c(=O)n2c4ccccc4)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 H21 compound treatment 0.922 0.187 1.94 0.967 0.15 1.6 2.4984 0.9955 1530713 TimTec1_001231 O=C(NCCc1ccc(cc1)S(=O)(=O)N2CCCC2)c3cccc4ccccc34 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 H22 compound treatment 1.294 0.559 5.79 1.211 0.394 4.2 7.066 0.9877 3082554 TimTec1_001232 FC(F)(F)C1=Nc2ccccc2N(C1)c3ccc(Cl)c(Cl)c3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 H23 mock treatment 0.765 0.0299 0.31 0.876 0.0586 0.63 0.6612 0.9473 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 H24 mock treatment 0.71 -0.0251 -0.26 0.743 -0.0744 -0.8 -0.7463 -0.892 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 I01 compound treatment 0.819 0.0839 0.87 0.819 0.00156 0.02 0.6261 0.7206 1641212 TimTec1_001233 Cc1cc(C)c(C#N)c(SCC(=O)N2CCCCC2)n1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 I02 compound treatment 0.921 0.186 1.93 1.011 0.194 2.07 2.8235 0.9994 1202800 TimTec1_001234 CC1=C(C#N)C(C(=C(N)O1)C(=O)OCc2ccccc2)c3cc(F)ccc3F 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 I03 compound treatment 0.234 -0.501 -5.19 0.237 -0.58 -6.2 -8.0548 -0.9961 1249954 TimTec1_001235 CC(C)c1ccc(C)cc1OCc2ccc(N)cc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 I04 compound treatment 0.882 0.147 1.52 0.945 0.128 1.36 2.0393 0.9985 3210015 TimTec1_001236 COc1cc(OCCN2CCOCC2)ccc1C3C(=C(N)Oc4[nH]c(nc34)C(F)(F)F)C#N 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 I05 compound treatment 1.052 0.317 3.28 1.086 0.269 2.87 4.3494 0.9978 3082557 TimTec1_001237 CC(C)c1ccc(cc1)N2C(=CC(C)(C)NC2=S)C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 I06 compound treatment 0.885 0.15 1.55 0.972 0.155 1.65 2.2652 0.9995 1171191 TimTec1_001238 CCCc1n[nH]c2N(C(=C(C#N)C(c3c(C)onc3Cl)c12)N)c4ccccc4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 I07 compound treatment 0.969 0.234 2.42 1.053 0.236 2.52 3.4923 0.9998 1003607 TimTec1_001239 OC(=O)c1cc(nc2ccccc12)c3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 I08 compound treatment 1.011 0.276 2.86 1.073 0.256 2.73 3.951 0.9997 1696034 TimTec1_001240 CC(C)OC(=O)c1cc(N)c2c(c(sc2n1)c3cccs3)c4ccc(F)cc4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 I09 compound treatment 0.832 0.0969 1.0 0.856 0.0386 0.41 1.0008 0.9227 3082561 TimTec1_001241 NC(=O)COc1ccc(cc1)C2C(=C(N)Oc3[nH]c(nc23)c4ccccc4)C#N 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 I10 compound treatment 1.017 0.282 2.92 1.025 0.208 2.22 3.6323 0.9908 1275672 TimTec1_001242 CC(C)(C)c1cc(c2cccs2)c(C#N)c(SCC(=O)Oc3ccccc3)n1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 I11 compound treatment 0.946 0.211 2.18 0.991 0.174 1.85 2.8555 0.9967 1564906 TimTec1_001243 COCc1nc2C(C(=C(N)Oc2[nH]1)C#N)c3ccccc3COc4ccc(Cl)cc4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 I12 compound treatment 0.832 0.0969 1.0 0.899 0.0816 0.87 1.3256 0.9975 1280361 TimTec1_001244 CC(C)(C)c1nc2C(C(=C(N)Nc2o1)C(=O)N)c3ccc(OCC#N)cc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 I13 compound treatment 0.873 0.138 1.43 0.876 0.0586 0.63 1.4521 0.9314 1705544 TimTec1_001245 CC(C)c1ccc(cc1)C2C(=C(N)Oc3[nH]c(C)nc23)C#N 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 I14 compound treatment 0.308 -0.427 -4.42 0.359 -0.458 -4.9 -6.5912 -0.9987 1235982 TimTec1_001246 CC1=C(OC(=C(C#N)C1c2ccc(F)cc2)N)C(=O)OCc3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 I15 compound treatment 0.807 0.0719 0.74 0.896 0.0786 0.84 1.1199 0.9982 1422848 TimTec1_001247 COC(=O)C1=C(C)Oc2oc(C)cc(=O)c2C1c3cccnc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 I16 compound treatment 1.126 0.391 4.05 1.144 0.327 3.49 5.3295 0.9973 1729172 TimTec1_001248 Nc1sc(NCC=C)c(C(=O)c2ccc(Br)s2)c1C#N 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 I17 compound treatment 1.38 0.645 6.68 1.373 0.556 5.94 8.9196 0.9983 1693885 TimTec1_001249 CCCc1nc2C(C(=C(N)Oc2o1)C#N)c3cccc(O)c3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 I18 compound treatment 0.915 0.18 1.86 0.927 0.11 1.17 2.145 0.9749 1371394 TimTec1_001250 Clc1ccccc1C(=O)NC(c2ccccc2)c3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 I19 compound treatment 0.81 0.0749 0.78 0.817 -4.38E-4 0.0 0.545 0.7028 3210016 TimTec1_001251 CC1=C(C#N)C(C2=C(O1)C(=O)CCC2)c3ccccc3C(F)(F)F 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 I20 compound treatment 0.888 0.153 1.58 0.908 0.0906 0.97 1.8037 0.9721 3082567 TimTec1_001252 CC1(C)C(C(=O)Nc2nccs2)C1(C)C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 I21 compound treatment 0.858 0.123 1.27 0.9 0.0826 0.88 1.5236 0.984 3210017 TimTec1_001253 COCCC(=O)C1=CSC2=C(C1c3ccncc3)C(=O)CC(C)(C)C2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 I22 compound treatment 0.859 0.124 1.28 0.916 0.0986 1.05 1.6518 0.9952 3082601 TimTec1_001254 O=c1n2CCCc2nc3scc(c4ccccc4)c13 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 I23 mock treatment 0.747 0.0119 0.12 0.788 -0.0294 -0.31 -0.1354 -0.401 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 I24 mock treatment 0.782 0.0469 0.49 0.851 0.0336 0.36 0.5968 0.9889 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 J01 compound treatment 0.873 0.138 1.43 0.901 0.0836 0.89 1.641 0.9744 1686618 TimTec1_001255 COC(=O)C1(CC2(CC3(CC(C1)(C(=O)OC)C2=O)C(=O)OC)C(=O)OC)C3=O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 J02 compound treatment 0.241 -0.494 -5.12 0.256 -0.561 -6.0 -7.86 -0.9969 3210018 TimTec1_001256 CCOc1cc(/C=C\2/SC(=N)N(C2=O)c3nccs3)ccc1OCCN4CCOCC4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 J03 compound treatment 0.905 0.17 1.76 0.978 0.161 1.72 2.457 0.9999 1190635 TimTec1_001257 CC1OC(NC(=O)c2ccccc2F)C(NC(=O)c3ccccc3F)OC1C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 J04 compound treatment 0.921 0.186 1.93 0.842 0.0246 0.26 1.5468 0.7961 1013629 TimTec1_001258 OC(=O)c1cc(Cc2ccc(O)c(c2)C(=O)O)ccc1O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 J05 compound treatment 1.271 0.536 5.55 1.299 0.482 5.14 7.5623 0.9993 3082606 TimTec1_001259 Clc1ccc(OCCCC(=O)Nc2ccc3OCCOc3c2)c(Cl)c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 J06 compound treatment 0.996 0.261 2.7 1.029 0.212 2.26 3.5087 0.9961 3210135 TimTec1_001260 N/C(=N/C#N)/c1sc2nc3CCCCCc3cc2c1N 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 J07 compound treatment 0.879 0.144 1.49 0.877 0.0596 0.64 1.5036 0.928 3082608 TimTec1_001261 CN(C)CCNc1cn[nH]c(=O)c1Cl 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 J08 compound treatment 0.848 0.113 1.17 0.861 0.0436 0.47 1.1557 0.9185 3210136 TimTec1_001262 CS(=O)(=O)NCCOc1ccccc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 J09 compound treatment 0.862 0.127 1.31 0.914 0.0966 1.03 1.6586 0.9928 1582682 TimTec1_001263 OC(=O)c1ccccc1NC(=O)c2ccco2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 J10 compound treatment 0.824 0.0889 0.92 0.887 0.0696 0.74 1.1764 0.9944 1203455 TimTec1_001264 Nc1ccc(cc1)C(=O)N2CCOCC2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 J11 compound treatment 0.924 0.189 1.96 0.914 0.0966 1.03 2.1127 0.9553 1327302 TimTec1_001265 Cc1ccccc1NC(=O)c2ccccc2NC(=O)c3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 J12 compound treatment 0.753 0.0179 0.19 0.777 -0.0404 -0.43 -0.1746 -0.3714 1350742 TimTec1_001266 OC(=O)c1cc(C(=O)O)c2cccc(Cl)c2n1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 J13 compound treatment 1.051 0.316 3.27 1.059 0.242 2.58 4.1381 0.9931 1127240 TimTec1_001267 CNC(=O)c1c(N)sc2CCCCCc12 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 J14 compound treatment 0.047 -0.688 -7.13 0.048 -0.769 -8.22 -10.852 -0.9975 3210137 TimTec1_001268 CC(C)(C)c1ccc(cc1)C(=O)CC(N2CCCCC2)C(=O)O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 J15 compound treatment 0.646 -0.0891 -0.92 0.686 -0.131 -1.4 -1.6456 -0.9793 1913738 TimTec1_001269 Oc1ccc(/C=N/c2ccccc2)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 J16 compound treatment 0.084 -0.651 -6.74 0.087 -0.73 -7.8 -10.2864 -0.9974 1404011 TimTec1_001270 O=C(Cc1ccccc1)Oc2ccc(cc2)C3SCCS3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 J17 compound treatment 0.36 -0.375 -3.89 0.434 -0.383 -4.1 -5.6438 -0.9997 1230646 TimTec1_001271 C1CCC(CC1)c2ccc3c(c2)c4CCCc5nccn3c45 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 J18 compound treatment 1.0 0.265 2.74 0.98 0.163 1.74 3.1679 0.9757 3210138 TimTec1_001272 Clc1ccc(CSC2CC(=O)N(C2=O)c3ccc(Br)cc3)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 J19 compound treatment 0.838 0.103 1.07 0.889 0.0716 0.76 1.294 0.9867 1613380 TimTec1_001273 CN1C(=O)COc2ccc(cc12)C(=O)c3ccccc3C(=O)O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 J20 compound treatment 0.881 0.146 1.51 1.036 0.219 2.33 2.7194 0.9778 1384728 TimTec1_001274 COc1ccc(NCC(C#N)C(=O)NCc2ccc(Cl)cc2)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 J21 compound treatment 0.738 0.00287 0.03 0.713 -0.104 -1.12 -0.7679 -0.688 3210139 TimTec1_001275 COc1ccc(CCNC(=N)Nc2nc(C)cc(C)n2)cc1OC 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 J22 compound treatment 0.596 -0.139 -1.44 0.711 -0.106 -1.14 -1.8229 -0.9931 3082616 TimTec1_001276 SC1=Nc2ccccc2CN1C(=O)c3ccc(Br)cc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 J23 mock treatment 0.778 0.0429 0.44 0.827 0.00956 0.1 0.3862 0.8476 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 J24 mock treatment 0.722 -0.0131 -0.14 0.841 0.0236 0.25 0.0819 0.2862 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 K01 compound treatment 0.863 0.128 1.32 0.923 0.106 1.13 1.7339 0.9968 3210140 TimTec1_001277 N=c1sc(C(=O)c2ccccc2)c3scc(c4ccccc4)n13 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 K02 compound treatment 0.052 -0.683 -7.08 0.056 -0.761 -8.13 -10.755 -0.9976 1261528 TimTec1_001278 COc1cc(OC)cc(c1)C2C(=C(N)OC(=C2C#N)N)C#N 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 K03 compound treatment 0.872 0.137 1.42 0.951 0.134 1.43 2.0114 1.0 1566998 TimTec1_001279 COc1ccc(NC(=O)Nc2ccc(OC)c(OC)c2)cc1OC 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 K04 compound treatment 1.111 0.376 3.89 1.185 0.368 3.93 5.5294 1.0 1394262 TimTec1_001280 COC(=O)[C@H]1[C@H](c2ccccc2)[C@@](C#N)([C@@H]3C=CC(=C(C)N13)C(=O)OC)C(=O)N 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 K05 compound treatment 0.818 0.0829 0.86 0.878 0.0606 0.65 1.0644 0.9903 1004876 TimTec1_001281 OC(=O)c1cc(=O)cc(o1)C(=O)O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 K06 compound treatment 1.161 0.426 4.41 1.18 0.363 3.87 5.8578 0.9979 3082619 TimTec1_001282 Cc1nc(/C=C(/N)\C#N)cn1c2ccccc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 K07 compound treatment 0.903 0.168 1.74 0.95 0.133 1.42 2.2308 0.9948 1429878 TimTec1_001283 COc1ccc2CCC(CC3(O)C(=O)Nc4ccccc43)C(=O)c2c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 K08 compound treatment 1.024 0.289 2.99 0.984 0.167 1.78 3.3738 0.9692 1203304 TimTec1_001284 Cc1sc2nc(cc(N)c2c1C)C(=O)Oc3ccc(F)cc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 K09 compound treatment 0.097 -0.638 -6.61 0.146 -0.671 -7.17 -9.7455 -0.9992 3210142 TimTec1_001285 NC(=S)/C(=C\Nc1ccccc1C#N)/C(F)(F)F 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 K10 compound treatment 0.848 0.113 1.17 0.848 0.0306 0.33 1.0575 0.8713 1195774 TimTec1_001286 CC(C)c1ccc(cc1)C2C(=C(Oc3[nH]c(C)nc23)C#N)C#N 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 K11 compound treatment 0.835 0.0999 1.03 0.953 0.136 1.45 1.7555 0.9864 1673016 TimTec1_001287 COc1nc2C(C(=C(N)Oc2[nH]1)C#N)c3ccc(OC(C)C)c(OC)c3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 K12 compound treatment 0.9 0.165 1.71 0.901 0.0836 0.89 1.8387 0.9542 1572307 TimTec1_001288 CCCN1CC=C2C(C#N)(C#N)C(=C(C#N)C(c3ccc(OCC(=O)N)cc3)C2(C)C1)N 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 K13 compound treatment 0.855 0.12 1.24 0.899 0.0816 0.87 1.4941 0.985 1290293 TimTec1_001289 Cc1nc2c(OC(=C(C#N)C32CCC(CC3)c4ccccc4)N)[nH]1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 K14 compound treatment 0.788 0.0529 0.55 0.839 0.0216 0.23 0.5501 0.926 1495492 TimTec1_001290 CC(C)N1CC=C2C(C1)C(C(=C(N)C2(C#N)C#N)C#N)c3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 K15 compound treatment 0.837 0.102 1.06 0.895 0.0776 0.83 1.332 0.9928 1213258 TimTec1_001291 CCOC(=O)C(C#N)C(c1[nH]c(C)nc1O)c2cccnc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 K16 compound treatment 0.932 0.197 2.04 0.992 0.175 1.86 2.7605 0.999 1320005 TimTec1_001292 CCCc1cc(ccc1OC(C)C)C2C(=C(N)Nc3oc(OC)nc23)C#N 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 K17 compound treatment 0.413 -0.322 -3.34 0.306 -0.511 -5.46 -6.2226 -0.972 1432035 TimTec1_001293 CC1(C)CC(=O)C2=C(C1)N(Cc3ccccc3)C(=C(C#N)C42CCOCC4)N 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 K18 compound treatment 1.087 0.352 3.64 1.096 0.279 2.98 4.6813 0.9949 1488829 TimTec1_001294 Clc1cccc(c1)C(=O)N(Cc2ccccc2)Cc3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 K19 compound treatment 0.749 0.0139 0.14 0.687 -0.13 -1.39 -0.8837 -0.6308 3210143 TimTec1_001295 Fc1ccc(cc1)C(=O)[C@@H]2[C@@H](C#N)[C@@](C#N)([C@@H]3N2C=Cc4ccccc34)C(=O)c5ccccc5 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 K20 compound treatment 0.835 0.0999 1.03 0.905 0.0876 0.94 1.3929 0.9987 1628961 TimTec1_001296 CC1(C)C(C(=O)Nc2ccc(cc2)S(=O)(=O)c3ccc(NC(=O)C4C(C)(C)C4(C)C)cc3)C1(C)C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 K21 compound treatment 1.029 0.294 3.04 1.083 0.266 2.84 4.1583 0.9994 1142263 TimTec1_001297 COC(=O)C1=C(C)SC(=C(C#N)C1c2ccc(OC(C)C)c(OC)c2)N 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 K22 compound treatment 0.883 0.148 1.53 0.951 0.134 1.43 2.0919 0.9994 1427516 TimTec1_001298 O=C(N1CN(Cc2c3CCCCc3sc12)C4CCCCC4)c5ccccc5 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 K23 mock treatment 0.728 -0.00713 -0.07 0.81 -0.00744 -0.08 -0.1084 -0.9993 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 K24 mock treatment 0.724 -0.0111 -0.12 0.838 0.0206 0.22 0.0739 0.2977 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 L01 compound treatment 0.834 0.0989 1.02 0.826 0.00856 0.09 0.7888 0.7672 1725268 TimTec1_001299 CCc1cc2c(=O)c(coc2cc1OC(=O)C)c3ccn(n3)C(=O)C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 L02 compound treatment 0.064 -0.671 -6.95 0.061 -0.756 -8.08 -10.6293 -0.9972 3082669 TimTec1_001300 N=C1S/C(=C/c2ccco2)/C(=O)N1c3nccs3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 L03 compound treatment 0.95 0.215 2.23 0.933 0.116 1.23 2.4466 0.9614 1704974 TimTec1_001301 COC1C(OC)N(CCN1S(=O)(=O)c2ccc(C)cc2)S(=O)(=O)c3ccc(C)cc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 L04 compound treatment 0.884 0.149 1.54 0.905 0.0876 0.94 1.7518 0.9713 1126229 TimTec1_001302 CC(C)(C)c1cc(O)cc(c1CN2CCN(CCN)CC2)C(C)(C)C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 L05 compound treatment 0.958 0.223 2.31 1.017 0.2 2.13 3.1398 0.9992 3210144 TimTec1_001303 O=C1CN2C(=C1c3nc4ccccc4c(=O)[nH]3)NC(=O)c5ccccc25 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 L06 compound treatment 0.875 0.14 1.45 0.928 0.111 1.18 1.8596 0.9949 1508923 TimTec1_001304 CN1CCC2(CC1)C(=C(N)Oc3n[nH]c(C(=O)OC(C)(C)C)c32)C#N 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 L07 compound treatment 1.451 0.716 7.41 1.463 0.646 6.9 10.1195 0.9993 1206601 TimTec1_001305 O=c1[nH]nc(c2ccccc2)c3ccccc13 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 L08 compound treatment 1.369 0.634 6.57 1.393 0.576 6.15 8.9901 0.9995 3210145 TimTec1_001306 COC(=O)c1ccc2ccccc2n1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 L09 compound treatment 0.093 -0.642 -6.65 0.205 -0.612 -6.54 -9.3291 -1.0 1306892 TimTec1_001307 OC(=O)c1c(NC(=O)c2ccc(Br)cc2)sc3CCCCc13 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 L10 compound treatment 0.869 0.134 1.39 0.866 0.0486 0.52 1.3473 0.9101 1170047 TimTec1_001308 CC(=O)Nc1ccc(cc1)S(=O)(=O)N2CCCC2C(=O)O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 L11 compound treatment 0.809 0.0739 0.77 0.819 0.00156 0.02 0.5528 0.7224 1153508 TimTec1_001309 CCc1nc2ccccc2c(=O)n1c3ccc(OC)cc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 L12 compound treatment 0.852 0.117 1.21 0.844 0.0266 0.28 1.0566 0.8498 1500311 TimTec1_001310 OC(=O)c1cc(O)nc2c(Cl)cccc12 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 L13 compound treatment 0.883 0.148 1.53 0.904 0.0866 0.92 1.7369 0.9708 1714700 TimTec1_001311 CCOc1ccc(NC(=O)C(=C2CCCCCC2)C#N)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 L14 compound treatment 0.105 -0.63 -6.53 0.051 -0.766 -8.19 -10.4046 -0.9937 3210146 TimTec1_001312 CN1CCN(CC1)C(CC(=O)c2ccc(C)cc2)C(=O)O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 L15 compound treatment 0.568 -0.167 -1.73 0.647 -0.17 -1.82 -2.5115 -0.9997 3082677 TimTec1_001313 C/C(=C/c1ccccc1)/C=N/c2c(C)n(C)n(c3ccccc3)c2=O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 L16 compound treatment 0.904 0.169 1.75 0.929 0.112 1.19 2.0795 0.9825 3210147 TimTec1_001314 Clc1ccccc1C(=O)Oc2ccc(cc2)C3SCCS3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 L17 compound treatment 1.024 0.289 2.99 1.068 0.251 2.68 4.0084 0.9985 3082679 TimTec1_001315 Clc1nsnc1N2CCOCC2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 L18 compound treatment 0.387 -0.348 -3.61 0.434 -0.383 -4.1 -5.4461 -0.998 1080207 TimTec1_001316 CCn1c(=O)c2ccccc2[nH]c1=S 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 L19 compound treatment 0.845 0.11 1.14 0.909 0.0916 0.98 1.4964 0.9972 1587528 TimTec1_001317 Clc1nc2ccccc2n3c(nnc13)c4coc5ccccc5c4=O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 L20 compound treatment 0.091 -0.644 -6.67 0.104 -0.713 -7.62 -10.1067 -0.9978 3082732 TimTec1_001318 OC(=O)C(CC(=O)c1ccc(Cl)cc1)Sc2ccc(Br)cc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 L21 compound treatment 0.901 0.166 1.72 0.969 0.152 1.62 2.3597 0.9996 3210266 TimTec1_001319 N#Cc1c(SC2CCCC2)nsc1SC3CCCC3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 L22 compound treatment 0.715 -0.0201 -0.21 0.771 -0.0464 -0.5 -0.4982 -0.9258 3210267 TimTec1_001320 Cc1n(C)c(c[n+]1c2c3CCCCCn3n(c4ccccc4)c2=O)c5ccc(C)cc5 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 L23 mock treatment 0.734 -0.00113 -0.01 0.861 0.0436 0.47 0.3208 0.6892 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 L24 mock treatment 0.672 -0.0631 -0.65 0.866 0.0486 0.52 -0.0954 -0.1144 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 M01 compound treatment 1.039 0.304 3.15 1.08 0.263 2.81 4.2089 0.9984 3082736 TimTec1_001321 Cc1ccc(cc1)S(=O)(=O)N2CCC(=C(O)c3ccccc23)C#N 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 M02 compound treatment 1.106 0.371 3.84 1.135 0.318 3.39 5.1151 0.9981 3210268 TimTec1_001322 Cc1nc2C(C(=C(N)N(c2o1)c3ccccc3)C#N)c4c(C)n(nc4Cl)c5ccccc5 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 M03 compound treatment 1.087 0.352 3.64 0.786 -0.0314 -0.34 2.3395 0.6392 3082738 TimTec1_001323 Nc1cc(ccc1Oc2ccc(cc2)C3CCCCC3)C(F)(F)F 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 M04 compound treatment 1.127 0.392 4.06 1.158 0.341 3.64 5.4426 0.9985 1129265 TimTec1_001324 OC(=O)c1c(SCc2ccc(C#N)cc2)nc(c3cccs3)c4CCCCc14 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 M05 compound treatment 0.165 -0.57 -5.9 0.173 -0.644 -6.88 -9.0436 -0.9971 1016658 TimTec1_001325 C[N+](C)(C)CCOC(=O)c1ccccc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 M06 compound treatment 0.939 0.204 2.11 1.015 0.198 2.11 2.9855 1.0 1533994 TimTec1_001326 NC1=C(C#N)C(c2c(noc2N1)c3cccc(O)c3)c4ccccc4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 M07 compound treatment 1.228 0.493 5.1 1.268 0.451 4.81 7.0132 0.9996 1273967 TimTec1_001327 CCOc1ccc2nc(SCC(=O)c3cccs3)sc2c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 M08 compound treatment 0.843 0.108 1.12 0.836 0.0186 0.2 0.9303 0.8198 1285313 TimTec1_001328 CC(C)(C)C1CCC2(CC1)C(C#N)C2(C#N)C(=O)c3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 M09 compound treatment 1.158 0.423 4.38 1.192 0.375 4.0 5.9265 0.999 1588817 TimTec1_001329 CNc1sc(C(=O)CC=C)c(N)c1C#N 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 M10 compound treatment 0.91 0.175 1.81 1.013 0.196 2.09 2.758 0.9975 1441689 TimTec1_001330 CCOC(=O)c1nc2C(C(=C(N)Nc2o1)C#N)c3ccc(Cl)cc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 M11 compound treatment 0.864 0.129 1.33 0.891 0.0736 0.79 1.4995 0.9681 1280958 TimTec1_001331 CCOc1ccc(cc1OC)C2C=C(N)Oc3[nH]c(COC)nc23 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 M12 compound treatment 1.155 0.42 4.35 1.21 0.393 4.19 6.0405 0.9998 1479215 TimTec1_001332 CCc1ccc(cc1)N2C(=C(C#N)C(c3c(C)noc23)c4cccc(Cl)c4)N 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 M13 compound treatment 0.991 0.256 2.65 0.985 0.168 1.79 3.1397 0.9818 3082744 TimTec1_001333 N#C/C=C/N(C#N)c1ccccc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 M14 compound treatment 0.057 -0.678 -7.02 0.051 -0.766 -8.19 -10.7561 -0.9971 1118063 TimTec1_001334 CCOC(=O)C1C(=C(OC(=C1C#N)N)c2ccc(Cl)cc2)C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 M15 compound treatment 0.86 0.125 1.29 0.93 0.113 1.2 1.7648 0.9993 3082746 TimTec1_001335 CCOC(=O)N1CCC2(CC1)C(=C(C)Nc3oc(C)nc32)C#N 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 M16 compound treatment 0.822 0.0869 0.9 0.918 0.101 1.07 1.3959 0.9961 3210269 TimTec1_001336 CCCc1nc2c(o1)N(C(=O)OCC)C(=C(C#N)C32CCNCC3)N 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 M17 compound treatment 0.915 0.18 1.86 0.915 0.0976 1.04 2.0543 0.9623 1631479 TimTec1_001337 CC(C)N1C(=C(C#N)C2(CCNCC2)C(C#N)C1=O)S 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 M18 compound treatment 1.311 0.576 5.96 1.316 0.499 5.33 7.9837 0.9984 3210270 TimTec1_001338 CCN(CC)C(=O)c1cccc(Cl)c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 M19 compound treatment 0.828 0.0929 0.96 0.879 0.0616 0.66 1.1452 0.9828 1388678 TimTec1_001339 COc1cc(ccc1OCCN2CCOCC2)C3C(=C(C)Nc4oc(C)nc34)C#N 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 M20 compound treatment 0.883 0.148 1.53 0.942 0.125 1.33 2.0239 0.9975 3082750 TimTec1_001340 CCOC(=O)c1oc2ccc(/C=N\C(C)(C)C)c(Cl)c2c1C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 M21 compound treatment 0.898 0.163 1.69 0.925 0.108 1.15 2.0054 0.9825 3210271 TimTec1_001341 COC(=O)C1=C(OC(=C(C#N)C1c2ccccc2c3ccccc3)C)C(F)(F)F 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 M22 compound treatment 0.795 0.0599 0.62 0.869 0.0516 0.55 0.828 0.9983 1636367 TimTec1_001342 CCCCN1COc2ccc(CCNC(=O)c3ccc(Cl)cc3)cc2C1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 M23 mock treatment 0.76 0.0249 0.26 0.851 0.0336 0.36 0.4357 0.9869 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 M24 mock treatment 0.767 0.0319 0.33 0.792 -0.0254 -0.27 0.0413 0.0965 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 N01 compound treatment 0.792 0.0569 0.59 0.817 -4.38E-4 0.0 0.4132 0.7015 3210272 TimTec1_001343 CCc1cc2c(=O)c3c(cn4ccccc34)oc2cc1OC(=O)C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 N02 compound treatment 0.933 0.198 2.05 0.936 0.119 1.27 2.3448 0.9733 3082752 TimTec1_001344 Nc1nonc1N2C(=N)S/C(=C/c3ccccc3)/C2=O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 N03 compound treatment 1.072 0.337 3.49 1.097 0.28 2.99 4.579 0.997 1211420 TimTec1_001345 COc1ccc(cc1)C(=O)N2c3ccccc3CCc4ccccc24 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 N04 compound treatment 0.938 0.203 2.1 1.032 0.215 2.29 3.1066 0.9991 1688649 TimTec1_001346 CC(=O)Nc1[nH]c2CCCCCc2c1C#N 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 N05 compound treatment 1.29 0.555 5.75 1.322 0.505 5.39 7.8752 0.9995 1368911 TimTec1_001347 Clc1c(NCc2ccco2)cnn(c3ccccc3)c1=O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 N06 compound treatment 0.935 0.2 2.07 0.918 0.101 1.07 2.2235 0.9533 1227629 TimTec1_001348 COc1ccc(NC2CS(=O)(=O)CC2OC(=O)c3ccc(F)cc3)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 N07 compound treatment 0.911 0.176 1.82 0.943 0.126 1.34 2.2366 0.9887 1520272 TimTec1_001349 O=C(Cc1ccccc1)Nc2c(cnn2c3ccccc3)C(=O)N4CCCCC4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 N08 compound treatment 0.871 0.136 1.41 0.912 0.0946 1.01 1.7094 0.9868 1561090 TimTec1_001350 Cc1cc2nc(SCC(=O)NN)[nH]c2cc1C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 N09 compound treatment 0.971 0.236 2.44 1.005 0.188 2.0 3.1443 0.9952 1634252 TimTec1_001351 O=C(Nc1ccccc1C(=O)N2CCN(Cc3ccccc3)CC2)c4ccccn4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 N10 compound treatment 1.458 0.723 7.49 1.457 0.64 6.83 10.1254 0.999 1534295 TimTec1_001352 COc1ccc(NC(=O)c2cccs2)cc1OC 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 N11 compound treatment 0.993 0.258 2.67 1.026 0.209 2.23 3.4641 0.9959 3082818 TimTec1_001353 FC(F)(F)c1nc2ccccc2c(=O)n1c3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 N12 compound treatment 1.089 0.354 3.67 1.138 0.321 3.42 5.0132 0.9994 3210273 TimTec1_001354 Cc1cc(OCc2ccc(Br)cc2)nc(n1)c3ccccc3O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 N13 compound treatment 0.981 0.246 2.55 1.068 0.251 2.68 3.6935 0.9997 1039615 TimTec1_001355 O=c1n(c2ccccc2)c(nc3ccccc13)c4ccccc4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 N14 compound treatment 0.988 0.253 2.62 1.105 0.288 3.07 4.0242 0.9968 3210274 TimTec1_001356 FC(F)(F)c1cc(NC(=O)C(=S)NCc2ccco2)ccc1Cl 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 N15 compound treatment 0.78 0.0449 0.46 0.813 -0.00444 -0.05 0.2951 0.6317 3210275 TimTec1_001357 CCOc1nnc(NS(=O)(=O)c2ccc(/N=C/c3ccccc3O)cc2)s1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 N16 compound treatment 0.77 0.0349 0.36 0.836 0.0186 0.2 0.3956 0.9601 3082822 TimTec1_001358 Cc1sc(Cc2ccc(Cl)cc2)nc1O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 N17 compound treatment 0.257 -0.478 -4.95 0.287 -0.53 -5.67 -7.5086 -0.9977 3082824 TimTec1_001359 N=C1SCC(=O)N1c2nccs2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 N18 compound treatment 1.323 0.588 6.09 1.323 0.506 5.4 8.1245 0.9982 3210276 TimTec1_001360 CCn1c(SCC(=O)Nc2cccc(Cl)c2Cl)nc3ccccc3c1=O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 N19 compound treatment 1.259 0.524 5.43 1.242 0.425 4.54 7.0439 0.996 1136080 TimTec1_001361 OC(c1oc2ccccc2c1c3cnn(c3)c4ccccc4)c5ccccc5 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 N20 compound treatment 0.322 -0.413 -4.28 0.346 -0.471 -5.04 -6.5869 -0.9967 3210277 TimTec1_001362 FC(F)(F)c1cccc(c1)c2nc3ccccc3c(=O)o2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 N21 compound treatment 0.601 -0.134 -1.39 0.56 -0.257 -2.75 -2.927 -0.95 3210278 TimTec1_001363 FC(F)(F)c1cc(NC(=O)C(=S)NCCNc2cccc3ccccc23)cc(c1)C(F)(F)F 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 N22 compound treatment 0.137 -0.598 -6.19 0.144 -0.673 -7.19 -9.4677 -0.9972 3082828 TimTec1_001364 COc1ccc(cc1)c2cs/c(=N\Cc3ccccc3)/[nH]2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 N23 mock treatment 0.776 0.0409 0.42 0.871 0.0536 0.57 0.704 0.989 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 N24 mock treatment 0.76 0.0249 0.26 0.855 0.0376 0.4 0.4659 0.977 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 O01 compound treatment 1.263 0.528 5.47 1.232 0.415 4.43 6.9976 0.9945 1081644 TimTec1_001365 COc1cc2CCN=C(CC#N)c2cc1OC 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 O02 compound treatment 0.98 0.245 2.54 0.983 0.166 1.77 3.044 0.9845 1714891 TimTec1_001366 COc1cc(OC)cc(c1)[C@@H]2[C@@H](C(C)(C)C)C(C#N)(C#N)[C@@H]3N2C=Cc4ccccc34 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 O03 compound treatment 1.192 0.457 4.73 1.164 0.347 3.7 5.964 0.9926 3082830 TimTec1_001367 CSc1nnc(c2ccccc2)n1c3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 O04 compound treatment 1.03 0.295 3.05 1.063 0.246 2.62 4.0146 0.9971 3210280 TimTec1_001368 CC(C)(C)OC(=O)N1C(=C(C#N)C2(CCOCC2)c3nc([nH]c13)C(F)(F)F)N 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 O05 compound treatment 0.864 0.129 1.33 0.903 0.0856 0.91 1.5902 0.9829 1332895 TimTec1_001369 Cc1cc(=O)oc2cc(OC3OC(CO)C(O)C(O)C3O)ccc12 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 O06 compound treatment 0.687 -0.0481 -0.5 0.704 -0.113 -1.21 -1.2094 -0.9229 1308936 TimTec1_001370 Fc1ccc(cc1)C(=O)CSC2=C(C#N)C(=O)C(C#N)C3(CCCC3)N2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 O07 compound treatment 0.975 0.24 2.48 0.629 -0.188 -2.01 0.3332 0.1042 3210391 TimTec1_001371 O=C(NCCOc1ccccc1c2ccccc2)c3ccco3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 O08 compound treatment 0.539 -0.196 -2.03 0.445 -0.372 -3.98 -4.2498 -0.9513 1195667 TimTec1_001372 Cc1ccc(cc1)C(=O)[C@@H]2[C@@H](C(C)(C)C)C(C#N)(C#N)[C@@]3(C)C=Cc4ccccc4N23 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 O09 compound treatment 1.157 0.422 4.37 1.175 0.358 3.82 5.7907 0.9978 1300208 TimTec1_001373 Nc1sc(Nc2ccccc2)c(C#N)c1C(=O)c3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 O10 compound treatment 0.06 -0.675 -6.99 0.065 -0.752 -8.04 -10.6284 -0.9976 3210392 TimTec1_001374 COC(=O)c1ccc(cc1)[C@@H]2[C@H]3CC(CC=C3C(C#N)(C#N)C(=C2C#N)N)C(C)(C)C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 O11 compound treatment 0.856 0.121 1.25 0.884 0.0666 0.71 1.3881 0.9641 1596487 TimTec1_001375 CCCc1nc2C(C(=C(N)Oc2[nH]1)C#N)c3cccc(O)c3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 O12 compound treatment 0.939 0.204 2.11 0.987 0.17 1.81 2.774 0.9971 3082899 TimTec1_001376 COc1ccc(cc1)[C@H]2NC(=C(C#N)C(=O)[C@@H]2[n+]3ccccc3)O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 O13 compound treatment 0.87 0.135 1.4 0.887 0.0696 0.74 1.5133 0.9564 3210393 TimTec1_001377 NC1=C(C#N)C(c2nc(oc2N1c3ccccc3)c4ccccc4)c5cccc(O)c5 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 O14 compound treatment 0.683 -0.0521 -0.54 0.759 -0.0584 -0.62 -0.8232 -0.9974 1397691 TimTec1_001378 CC1=C(C(C(=C(N)S1)C#N)c2ccoc2)C(=O)OCc3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 O15 compound treatment 0.881 0.146 1.51 0.928 0.111 1.18 1.9035 0.9926 1415097 TimTec1_001379 CCCc1nc2C(C(=C(N)Nc2o1)C#N)c3ccc(OC(C)C)c(OC)c3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 O16 compound treatment 1.199 0.464 4.8 1.197 0.38 4.05 6.2645 0.9964 3210394 TimTec1_001380 Clc1cccc(c1)C(=O)N2CCOCC2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 O17 compound treatment 0.779 0.0439 0.45 0.867 0.0496 0.53 0.6957 0.9971 3082903 TimTec1_001381 Cc1nc2C(C(=C(N)Nc2o1)C#N)c3c[nH]nc3C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 O18 compound treatment 0.36 -0.375 -3.89 0.561 -0.256 -2.74 -4.6844 -0.9854 1268817 TimTec1_001382 COc1ccccc1NC(=O)c2ccc(cc2)C(C)(C)C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 O19 compound treatment 0.054 -0.681 -7.05 0.056 -0.761 -8.13 -10.7403 -0.9975 3210395 TimTec1_001383 COc1cccc(c1)[C@@H]2[C@H]3CC(C)CC=C3C(C#N)(C#N)C(=C2C#N)N 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 O20 compound treatment 1.161 0.426 4.41 1.209 0.392 4.18 6.0769 0.9996 1627987 TimTec1_001384 CCOC(=O)c1c(NC(=O)C)sc2C(=O)NCCCc12 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 O21 compound treatment 1.049 0.314 3.25 1.043 0.226 2.41 4.0026 0.9891 1713250 TimTec1_001385 CC(C)NC(=O)CSc1cc(c2cccnc2)c3CCCCc3c1C#N 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 O22 compound treatment 1.383 0.648 6.71 1.378 0.561 5.99 8.9793 0.9984 3210396 TimTec1_001386 CCOC(=O)c1c(N)sc2C(=O)C(CCc12)Sc3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 O23 mock treatment 0.783 0.0479 0.5 0.882 0.0646 0.69 0.8383 0.9869 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 O24 mock treatment 0.838 0.103 1.07 0.87 0.0526 0.56 1.1505 0.9552 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 P01 compound treatment 1.151 0.416 4.31 1.133 0.316 3.37 5.4295 0.9927 3082907 TimTec1_001387 COc1ccc2c(=S)c(c3cc4ccccc4o3)c(C)oc2c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 P02 compound treatment 0.61 -0.125 -1.3 0.673 -0.144 -1.54 -2.0075 -0.9962 1033890 TimTec1_001388 C(Cc1nc2ccccc2[nH]1)Cc3nc4ccccc4[nH]3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 P03 compound treatment 1.148 0.413 4.28 1.136 0.319 3.4 5.4302 0.9936 3082909 TimTec1_001389 S=CC1=C2NCCCN2C3CCCCC31 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 P04 compound treatment 0.475 -0.26 -2.69 0.58 -0.237 -2.54 -3.6987 -0.9995 1117255 TimTec1_001390 NC(=N)c1cccc(NC(=O)Nc2cccc(c2)C(=N)N)c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 P05 compound treatment 0.929 0.194 2.01 0.976 0.159 1.69 2.6177 0.9964 1246425 TimTec1_001391 Cc1c(NC2CS(=O)(=O)CC2O)c(=O)n(c3ccccc3)n1C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 P06 compound treatment 1.415 0.68 7.04 1.427 0.61 6.51 9.5839 0.9992 1671747 TimTec1_001392 O=c1c(C2=NCCCCC2)c3[nH]c(cn3n1c4ccccc4)c5ccccc5 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 P07 compound treatment 0.944 0.209 2.16 1.004 0.187 1.99 2.939 0.9992 1595982 TimTec1_001393 CCCN(CCC)C(=O)c1c(NC(=O)c2ccco2)sc3CC(C)CCc13 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 P08 compound treatment 0.827 0.0919 0.95 0.859 0.0416 0.44 0.9868 0.9398 1216494 TimTec1_001394 NNC(=O)c1ccc2c(=O)[nH][nH]c(=O)c2c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 P09 compound treatment 1.374 0.639 6.62 1.37 0.553 5.9 8.853 0.9984 1492209 TimTec1_001395 O=c1[nH]c(nc2ccccc12)c3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 P10 compound treatment 0.989 0.254 2.63 1.016 0.199 2.12 3.3592 0.9943 1735994 TimTec1_001396 CCn1c(N)c(sc1=S)C(=O)N 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 P11 compound treatment 1.154 0.419 4.34 1.139 0.322 3.44 5.4968 0.9933 1341596 TimTec1_001397 CCc1nc2ccccc2c(=O)n1c3ccccc3Cl 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 P12 compound treatment 0.889 0.154 1.59 0.913 0.0956 1.02 1.8488 0.9768 1919107 TimTec1_001398 Cc1cc(NCCCN2CCOCC2)nc(n1)c3ccccc3O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 P13 compound treatment 0.072 -0.663 -6.87 0.08 -0.737 -7.88 -10.4272 -0.9977 1420208 TimTec1_001399 CCOC(=O)c1c(NC(=O)C2C(C)(C)C2(C)C)sc3CCCc13 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 P14 compound treatment 0.882 0.147 1.52 0.927 0.11 1.17 1.9033 0.9916 1140583 TimTec1_001400 COc1ccc(C)cc1NC(=O)C(=S)NCc2ccco2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 P15 compound treatment 0.767 0.0319 0.33 0.8 -0.0174 -0.19 0.1017 0.2683 3210397 TimTec1_001401 NC(=N)NS(=O)(=O)c1ccc(/N=C/c2ccccc2O)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 P16 compound treatment 0.424 -0.311 -3.22 0.556 -0.261 -2.79 -4.2535 -0.9975 1142293 TimTec1_001402 O=C(Oc1ccc(cc1)C2SCCS2)C3CCCCC3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 P17 compound treatment 0.892 0.157 1.62 0.839 0.0216 0.23 1.3118 0.7994 1739320 TimTec1_001403 Clc1ccccc1C(=O)Nc2nonc2NC=O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 P18 compound treatment 1.052 0.317 3.28 1.023 0.206 2.2 3.8735 0.9809 1453837 TimTec1_001404 O=C(Cc1ccccc1)c2ccccc2C(=O)NCc3cccs3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 P19 compound treatment 0.871 0.136 1.41 1.045 0.228 2.43 2.7141 0.9662 1670037 TimTec1_001405 CCc1cccc(CC)c1NC(=O)COc2ccccc2C(=O)N3CCOCC3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 P20 compound treatment 0.208 -0.527 -5.46 0.158 -0.659 -7.04 -8.842 -0.9921 3210398 TimTec1_001406 CC(C)Cc1ccc(/C=C/C(=O)N2CCN(C\C=C\c3ccccc3)CC2)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 P21 compound treatment 0.812 0.0769 0.8 0.779 -0.0384 -0.41 0.2726 0.3043 3082991 TimTec1_001407 Cc1nc(SCc2noc(CSc3nc(C)c(C)c(C)c3C#N)n2)c(C#N)c(C)c1C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 P22 compound treatment 0.877 0.142 1.47 0.951 0.134 1.43 2.048 0.9999 3210399 TimTec1_001408 Cc1ccc2NC(=O)/C(=N\N3C(=O)c4ccccc4C3=O)/c2c1Br 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 P23 mock treatment 0.834 0.0989 1.02 0.86 0.0426 0.45 1.0456 0.9332 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2066 P24 mock treatment 0.767 0.0319 0.33 0.825 0.00756 0.08 0.2906 0.8549 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 A01 compound treatment 0.044 -0.784 -8.12 0.044 -0.712 -7.61 -11.1263 -0.9995 3082958 TimTec1_001761 O=C1C(=Cc2cccnc2)C(=O)c3ccccc13 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 A02 compound treatment 1.011 0.183 1.89 0.892 0.136 1.45 2.3616 0.9914 3209101 TimTec1_001762 COc1ccc2S/C(=C/3\OC(=S)N(C)C3=O)/N(C)c2c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 A03 compound treatment 1.131 0.303 3.13 1.092 0.336 3.59 4.7512 0.9977 1919999 TimTec1_001763 Cc1cc(Br)c(c(Br)c1)S(=O)(=O)C(C)(C)C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 A04 compound treatment 1.188 0.36 3.72 1.12 0.364 3.89 5.3802 0.9998 1199633 TimTec1_001764 NS(=O)(=O)c1ccc(NC(=O)COc2ccc(F)cc2)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 A05 compound treatment 0.973 0.145 1.5 0.876 0.12 1.28 1.9624 0.9969 1313236 TimTec1_001765 Cc1ccc(OCC(=O)O)c(c1)c2ccno2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 A06 compound treatment 0.041 -0.787 -8.16 0.041 -0.715 -7.64 -11.1709 -0.9995 1074315 TimTec1_001766 Cc1ccc(cc1)c2nc3ccccc3c(=O)o2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 A07 compound treatment 0.815 -0.0135 -0.14 0.764 0.00766 0.08 -0.0408 -0.2523 1096423 TimTec1_001767 COc1cc2cc(Oc3ccc4ccc(=O)oc4c3)c(=O)oc2cc1O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 A08 compound treatment 1.138 0.31 3.21 1.118 0.362 3.86 4.9989 0.9957 3209102 TimTec1_001768 Cc1ccc(s1)C(=O)CSCC(=O)Nc2ccccc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 A09 compound treatment 0.792 -0.0365 -0.38 0.663 -0.0933 -1.0 -0.9722 -0.9117 1239893 TimTec1_001769 CN(C)C(=O)C(CCN1CCC(O)(CC1)c2ccccc2)(c3ccccc3)c4ccccc4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 A10 compound treatment 1.112 0.284 2.94 1.053 0.297 3.17 4.3175 0.9993 1315182 TimTec1_001770 Cc1cccc(n1)C2Nc3ccccc3C(=O)N2CCc4ccccc4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 A11 compound treatment 1.398 0.57 5.9 1.389 0.633 6.76 8.9502 0.9977 1522752 TimTec1_001771 COc1ccccc1c2oc3ccccc3c(=O)c2OC(=O)c4cccs4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 A12 compound treatment 0.768 -0.0605 -0.63 0.682 -0.0743 -0.79 -1.0045 -0.9931 1519057 TimTec1_001772 CC(NC(=O)COc1ccccc1)C(=O)O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 A13 compound treatment 1.253 0.425 4.4 1.219 0.463 4.94 6.6041 0.9983 3082964 TimTec1_001773 COC(=O)c1sc2nc(C)cc(c2c1N)C(F)(F)F 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 A14 compound treatment 0.747 -0.0815 -0.84 0.68 -0.0763 -0.82 -1.1734 -0.9999 1723203 TimTec1_001774 NNC(=O)C(O)c1ccccc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 A15 compound treatment 1.23 0.402 4.16 1.213 0.457 4.88 6.3903 0.9968 3209103 TimTec1_001775 COc1ccc(/C=C\2/SC(=S)NC2=O)cc1COc3ccc(F)cc3F 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 A16 compound treatment 0.88 0.0515 0.53 0.825 0.0687 0.73 0.896 0.9878 1432060 TimTec1_001776 NNC(=O)c1ccc(COc2cc(Cl)ccc2Cl)o1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 A17 compound treatment 1.158 0.33 3.41 1.164 0.408 4.36 5.4929 0.9927 1236095 TimTec1_001777 COc1ccc(cc1)c2cc([nH]c(=S)c2C#N)c3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 A18 compound treatment 1.295 0.467 4.83 1.315 0.559 5.97 7.6369 0.9945 1129328 TimTec1_001778 COc1ccccc1CCNC(=O)c2ccc(COc3ccccc3Cl)o2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 A19 compound treatment 0.588 -0.24 -2.49 0.473 -0.283 -3.03 -3.9015 -0.9953 3083042 TimTec1_001779 Oc1ccc(Br)cc1/C=N/n2cnc3sc4CCCCc4c3c2=O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 A20 compound treatment 1.057 0.229 2.37 1.011 0.255 2.72 3.5974 0.9976 1178649 TimTec1_001780 COc1ccc(NC(=O)c2ccc(CSc3ccccn3)cc2)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 A21 compound treatment 0.706 -0.122 -1.27 0.68 -0.0763 -0.82 -1.4736 -0.9772 1547489 TimTec1_001781 CCOC(=O)COc1ccc(Br)cc1C#N 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 A22 compound treatment 0.94 0.112 1.16 0.843 0.0867 0.93 1.4714 0.994 3209104 TimTec1_001782 CC(C)(C)S(=O)(=O)c1ccccc1/C=N/O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 A23 mock treatment 0.767 -0.0615 -0.64 0.641 -0.115 -1.23 -1.3215 -0.9528 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 A24 mock treatment 0.787 -0.0415 -0.43 0.695 -0.0613 -0.66 -0.7671 -0.979 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 B01 compound treatment 1.077 0.249 2.57 0.983 0.227 2.42 3.5323 0.9995 3083046 TimTec1_001783 N/C(=N\O)/C(=O)Nc1ccccc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 B02 compound treatment 0.913 0.0845 0.88 0.845 0.0887 0.95 1.2888 0.9992 1679359 TimTec1_001784 OC(=O)CCCN1C(=O)CSC1=S 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 B03 compound treatment 0.09 -0.738 -7.65 0.056 -0.7 -7.48 -10.6988 -0.9999 3209105 TimTec1_001785 CC(c1cc(Cl)ccc1[N+]#[C-])S(=O)(=O)c2ccc(C)cc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 B04 compound treatment 0.942 0.114 1.18 0.835 0.0787 0.84 1.4256 0.9864 1620877 TimTec1_001786 CC(C)(C)c1nc(C#N)c(o1)N2CCC(CC2)C(=O)N 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 B05 compound treatment 1.355 0.527 5.45 1.335 0.579 6.18 8.2274 0.998 1533552 TimTec1_001787 CC(Oc1ccc(Cl)cc1Cl)C(=O)NCCC2=CCCCC2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 B06 compound treatment 1.21 0.382 3.95 1.096 0.34 3.63 5.36 0.9991 3083049 TimTec1_001788 Brc1ccc2C(C#N)C(C=Cc2c1)c3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 B07 compound treatment 1.08 0.252 2.61 0.984 0.228 2.43 3.5619 0.9994 1606872 TimTec1_001789 CCOC(=O)C1=C(C)N(C(=C(C#N)C1c2ccc(Br)cc2)N)c3nonc3NC(=O)C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 B08 compound treatment 0.056 -0.772 -8.0 0.057 -0.699 -7.47 -10.9402 -0.9994 3083051 TimTec1_001790 O=C(NC1=SC2=C(CCCC2)C1C#N)c3cccnc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 B09 compound treatment 0.875 0.0465 0.48 0.746 -0.0103 -0.11 0.2626 0.5312 3209106 TimTec1_001791 CCOC(=O)c1c(N)c[nH]c1NCc2ccc(Cl)nc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 B10 compound treatment 1.198 0.37 3.83 1.175 0.419 4.47 5.8689 0.997 3209225 TimTec1_001792 Cc1c(/C=C/2\S/C(=N/c3ccccc3)/N(C4CCCC4)C2=O)c5ccccc5n1CC(=O)N 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 B11 compound treatment 1.14 0.312 3.23 1.094 0.338 3.61 4.8322 0.9985 1450803 TimTec1_001793 CCN(CC)c1nc2ccccc2c(=O)n1c3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 B12 compound treatment 1.004 0.176 1.82 0.906 0.15 1.6 2.416 0.9979 3083054 TimTec1_001794 COc1ccc(cc1)c2nn(CN3CCOCC3)c(=S)[nH]2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 B13 compound treatment 0.998 0.17 1.76 0.942 0.186 1.98 2.6441 0.9982 1437460 TimTec1_001795 Cc1nn(c2SC(=C3C(c12)c4ccccc4OC3=O)N)c5ccccc5 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 B14 compound treatment 1.364 0.536 5.55 1.347 0.591 6.31 8.3839 0.9979 1123272 TimTec1_001796 CSc1nc2ccc(cc2s1)S(=O)(=O)N(C)C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 B15 compound treatment 1.351 0.523 5.41 1.341 0.585 6.25 8.2434 0.9974 3209226 TimTec1_001797 CC1CS/C(=C(/C(=O)O)\C(=O)/C=C/c2cccc(O)c2)/S1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 B16 compound treatment 0.42 -0.408 -4.23 0.39 -0.366 -3.91 -5.7589 -0.9992 1179029 TimTec1_001798 C(Cn1c(CSc2nc3ccccc3o2)nc4ccccc14)c5ccccc5 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 B17 compound treatment 0.962 0.134 1.38 0.871 0.115 1.22 1.8441 0.9982 3209227 TimTec1_001799 OC(=O)C(Cc1c[nH]cn1)NC2CNN=C2c3ccc(Cl)cc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 B18 compound treatment 0.073 -0.755 -7.82 0.074 -0.682 -7.29 -10.6873 -0.9994 3209228 TimTec1_001800 Cc1ccc(cc1)C2=NNC(S2)c3cccs3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 B19 compound treatment 1.039 0.211 2.18 1.096 0.34 3.63 4.1077 0.9703 1431685 TimTec1_001801 Fc1cccc(Cl)c1c2nc(=S)[nH]c3[nH]c(=S)[nH]c(=S)c23 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 B20 compound treatment 1.086 0.258 2.67 1.11 0.354 3.78 4.5576 0.9855 1251757 TimTec1_001802 Fc1ccc(CSc2ccccc2C(=O)NC3CC3)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 B21 compound treatment 0.992 0.164 1.69 0.877 0.121 1.29 2.1091 0.9909 3209229 TimTec1_001803 NC(=O)c1c(NC(=S)NC(=O)c2ccccc2Cl)sc3CCCCc13 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 B22 compound treatment 0.992 0.164 1.69 0.942 0.186 1.98 2.6001 0.9969 1601676 TimTec1_001804 O=C(COc1ccccc1)Nc2ccc(cc2)C(=O)c3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 B23 mock treatment 0.82 -0.00847 -0.09 0.723 -0.0333 -0.36 -0.3139 -0.8557 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 B24 mock treatment 0.781 -0.0475 -0.49 0.648 -0.108 -1.16 -1.1661 -0.9273 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 C01 compound treatment 0.068 -0.76 -7.88 0.065 -0.691 -7.39 -10.7919 -0.9995 1124602 TimTec1_001805 CCCC(=O)CC(C1C(=O)c2ccccc2C1=O)c3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 C02 compound treatment 0.999 0.171 1.77 0.914 0.158 1.68 2.4399 0.9997 1456543 TimTec1_001806 NC(=S)Nc1ccc(cc1)S(=O)(=O)N 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 C03 compound treatment 1.208 0.38 3.93 1.195 0.439 4.69 6.0932 0.9962 3083139 TimTec1_001807 CN(C(=S)SCc1ccccc1)c2ccccc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 C04 compound treatment 0.958 0.13 1.34 0.934 0.178 1.9 2.2907 0.9856 3209230 TimTec1_001808 COc1ccc(cc1)C2NNC(=S)S2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 C05 compound treatment 0.078 -0.75 -7.77 0.073 -0.683 -7.3 -10.6582 -0.9995 1627479 TimTec1_001809 Clc1ccc2occ(c3nc4ccccc4[nH]3)c(=O)c2c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 C06 compound treatment 1.005 0.177 1.83 0.972 0.216 2.3 2.9219 0.9934 1585678 TimTec1_001810 CCCC(Nc1cc(Cl)cc(Cl)c1)n2nnc3ccccc23 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 C07 compound treatment 0.78 -0.0485 -0.5 0.749 -0.00734 -0.08 -0.4104 -0.8078 1693611 TimTec1_001811 COc1cc2ccc(=O)oc2c(O)c1OCC=C(C)C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 C08 compound treatment 0.948 0.12 1.24 0.905 0.149 1.59 1.9984 0.9924 1333990 TimTec1_001812 COc1c2COC(=O)c2c(CSc3nnnn3c4ccccc4)c(OC)c1OC 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 C09 compound treatment 0.881 0.0525 0.54 0.795 0.0387 0.41 0.6767 0.9907 1282090 TimTec1_001813 COc1cc2ccc(=O)oc2c(OC(=O)C)c1OC(=O)C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 C10 compound treatment 1.347 0.519 5.37 1.265 0.509 5.43 7.64 1.0 1488752 TimTec1_001814 O=C(CSc1nnnn1Cc2ccccc2)Nc3ccccc3Oc4ccccc4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 C11 compound treatment 0.771 -0.0575 -0.6 0.653 -0.103 -1.1 -1.2016 -0.958 3083144 TimTec1_001815 Cc1ccc(cc1)C(=O)Oc2ccc(cc2)C3SCCS3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 C12 compound treatment 0.78 -0.0485 -0.5 0.737 -0.0193 -0.21 -0.5011 -0.923 1118830 TimTec1_001816 CCc1ccc(OCC(=O)Nc2nnc[nH]2)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 C13 compound treatment 0.853 0.0245 0.25 0.806 0.0497 0.53 0.5548 0.9432 1376257 TimTec1_001817 OC(=O)C1CCCCC1C(=O)Nc2ccc3OCCOc3c2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 C14 compound treatment 0.869 0.0405 0.42 0.773 0.0167 0.18 0.4227 0.927 1783811 TimTec1_001818 CCCc1cc(=O)nc(SCC(=O)N)[nH]1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 C15 compound treatment 0.853 0.0245 0.25 0.75 -0.00634 -0.07 0.1317 0.501 1028427 TimTec1_001819 NC(Cc1ccccc1F)C(=O)O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 C16 compound treatment 1.236 0.408 4.22 1.213 0.457 4.88 6.4343 0.9974 1545473 TimTec1_001820 COc1ccccc1OCc2ccc(o2)C(=O)NCC(C)C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 C17 compound treatment 0.762 -0.0665 -0.69 0.717 -0.0393 -0.42 -0.784 -0.972 3209231 TimTec1_001821 O=C1C2NN=CC2C(=O)N1Cc3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 C18 compound treatment 1.191 0.363 3.75 1.177 0.421 4.49 5.8327 0.996 1165247 TimTec1_001822 CC1Cc2ccccc2N1C(=O)Nc3ccc(Cl)c(Cl)c3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 C19 compound treatment 0.76 -0.0685 -0.71 0.764 0.00766 0.08 -0.4436 -0.6214 1627796 TimTec1_001823 COC(=O)c1ccc(CN2CCN(CC2)c3ccccc3OC)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 C20 compound treatment 0.958 0.13 1.34 0.904 0.148 1.58 2.0641 0.9968 1491738 TimTec1_001824 O=C(N1CCOCC1)c2ccc(CSc3ncccn3)cc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 C21 compound treatment 1.293 0.465 4.81 1.238 0.482 5.15 7.0405 0.9994 3209232 TimTec1_001825 CN(C)c1ccc(/C=C/C(=O)C(=C2SCCS2)C(=O)c3ccccc3)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 C22 compound treatment 1.235 0.407 4.21 1.158 0.402 4.29 6.0114 1.0 3083151 TimTec1_001826 CCN(CC)S(=O)(=O)c1ccccc1/C=N/O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 C23 mock treatment 0.77 -0.0585 -0.61 0.721 -0.0353 -0.38 -0.6952 -0.9742 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 C24 mock treatment 0.798 -0.0305 -0.32 0.695 -0.0613 -0.66 -0.6865 -0.9439 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 D01 compound treatment 0.556 -0.272 -2.82 0.652 -0.104 -1.11 -2.7837 -0.9174 3209233 TimTec1_001827 CC(Oc1ccc(C)cc1)n2ccc3CCCCc32 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 D02 compound treatment 0.943 0.115 1.19 0.901 0.145 1.55 1.9315 0.9915 1189402 TimTec1_001828 CN(C)CCCN1C(C(=C(O)C1=O)C(=O)c2cccs2)c3ccco3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 D03 compound treatment 0.433 -0.395 -4.1 0.352 -0.404 -4.32 -5.9507 -0.9996 1710381 TimTec1_001829 Cc1ccc(cc1)S(=O)(=O)C(CC=C)c2cc(Cl)ccc2N 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 D04 compound treatment 0.903 0.0745 0.77 0.895 0.139 1.48 1.5933 0.9538 3209234 TimTec1_001830 Cc1ccc2nc(NCc3cccnc3)c(/C=N/Cc4cccnc4)c(=O)n2c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 D05 compound treatment 0.352 -0.476 -4.93 0.315 -0.441 -4.71 -6.8234 -0.9997 1327331 TimTec1_001831 O=C1N(C(=O)c2ccccc12)c3ccc(C#N)cc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 D06 compound treatment 0.044 -0.784 -8.12 0.043 -0.713 -7.62 -11.1338 -0.9995 1663256 TimTec1_001832 CCc1c(C)sc(NC(=O)c2cccs2)c1C(=O)N 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 D07 compound treatment 0.936 0.108 1.11 0.892 0.136 1.45 1.8123 0.9915 3209235 TimTec1_001833 CC(=O)/N=C/1\NC(=O)\C(=C\c2ccc(o2)c3ccc4C(=O)OCc4c3)\S1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 D08 compound treatment 0.961 0.133 1.37 0.896 0.14 1.49 2.0256 0.9991 1576966 TimTec1_001834 CCOc1ccc2nc3c(=O)[nH]c(=O)nc3[nH]c2c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 D09 compound treatment 0.902 0.0735 0.76 0.828 0.0717 0.77 1.0798 1.0 3209236 TimTec1_001835 CC1(C)COC(=N1)/C=C(\O)/c2ccncc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 D10 compound treatment 0.754 -0.0745 -0.77 0.71 -0.0463 -0.5 -0.8955 -0.977 3082165 TimTec1_001836 Cc1ccc(cc1)/C(=N/O)/N 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 D11 compound treatment 0.808 -0.0205 -0.21 0.784 0.0277 0.3 0.059 0.1623 1734335 TimTec1_001837 Cc1cccc(c1)N2CCN(CC(O)CN3C(=O)c4ccccc4C3=O)CC2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 D12 compound treatment 1.088 0.26 2.69 1.064 0.308 3.29 4.2248 0.995 1573706 TimTec1_001838 Clc1cccc2cccc(c12)S(=O)(=O)Nc3ccc(OCC(=O)N4CCOCC4)cc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 D13 compound treatment 0.065 -0.763 -7.91 0.066 -0.69 -7.38 -10.8063 -0.9994 1609998 TimTec1_001839 CN(C)CCCn1c(N)c(c2nc3ccccc3[nH]2)c4nc(C#N)c(C#N)nc14 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 D14 compound treatment 0.84 0.0115 0.12 0.782 0.0257 0.27 0.2783 0.9307 3082168 TimTec1_001840 Clc1cc(C#N)ccc1CSc2ccccn2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 D15 compound treatment 1.027 0.199 2.06 0.965 0.209 2.23 3.0302 0.9992 1310660 TimTec1_001841 OC(=O)c1ccc(cc1)C2SCC(=O)N2NS(=O)(=O)c3ccc(F)cc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 D16 compound treatment 0.969 0.141 1.46 0.936 0.18 1.92 2.3863 0.9907 1357681 TimTec1_001842 Nn1c(SCc2ccc(F)c3ccccc23)nc4ccccc4c1=O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 D17 compound treatment 0.512 -0.316 -3.28 0.564 -0.192 -2.05 -3.7707 -0.9747 3082170 TimTec1_001843 CN(C)c1ccc(cc1)C2=NN(CC2NC(Cc3c[nH]cn3)C(=O)O)C(=O)C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 D18 compound treatment 0.935 0.107 1.1 0.842 0.0857 0.92 1.4273 0.9957 1273745 TimTec1_001844 O=C(N1CCCc2ccccc12)c3ccccc3SCc4ccccc4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 D19 compound treatment 0.832 0.00353 0.04 0.728 -0.0283 -0.3 -0.1883 -0.6172 3209237 TimTec1_001845 COc1cc(C)nc(NC(=O)NS(=O)(=O)c2ccccc2NC(=O)C(F)(F)F)n1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 D20 compound treatment 0.864 0.0355 0.37 0.807 0.0507 0.54 0.6429 0.9823 3082173 TimTec1_001846 CC(O)C(O)C(O)C(O)C1NN=C(S1)c2ccc(C)cc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 D21 compound treatment 1.141 0.313 3.24 1.059 0.303 3.23 4.5752 1.0 3209358 TimTec1_001847 C(Oc1ccccc1)C2CO/C(=N\c3ccccc3)/S2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 D22 compound treatment 0.978 0.15 1.55 0.899 0.143 1.52 2.1728 1.0 1506008 TimTec1_001848 O=C(COc1ccccc1)N2CCN(CC2)C(=O)COc3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 D23 mock treatment 0.807 -0.0215 -0.22 0.798 0.0417 0.45 0.1575 0.3165 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 D24 mock treatment 0.701 -0.127 -1.32 0.668 -0.0883 -0.94 -1.6009 -0.9865 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 E01 compound treatment 1.025 0.197 2.04 0.954 0.198 2.11 2.9324 0.9998 1600927 TimTec1_001849 OC(=O)C1CCCN1C(=O)Cc2ccccc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 E02 compound treatment 1.173 0.345 3.57 1.098 0.342 3.65 5.1041 0.9999 3209359 TimTec1_001850 CS/C(=N/CC=C)/N1CCN(CC1)\C(=N/CC=C)\SC 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 E03 compound treatment 1.195 0.367 3.8 1.17 0.414 4.42 5.8092 0.9971 1599515 TimTec1_001851 C(N1CCN(Cc2cccs2)C1c3cccs3)c4cccs4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 E04 compound treatment 1.032 0.204 2.11 0.938 0.182 1.94 2.8628 0.9991 3209360 TimTec1_001852 C=CCc1nc2ccccc2c(=O)n1CC=C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 E05 compound treatment 1.179 0.351 3.63 1.128 0.372 3.97 5.3747 0.999 1613532 TimTec1_001853 Oc1ccc(Cl)cc1C(=O)c2cnc-3c(COc4ccccc43)c2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 E06 compound treatment 1.28 0.452 4.68 1.272 0.516 5.51 7.2022 0.9967 3082178 TimTec1_001854 N#C/C(=C/c1cccc2ccccc12)/c3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 E07 compound treatment 0.702 -0.126 -1.31 0.641 -0.115 -1.23 -1.7975 -0.9995 1314321 TimTec1_001855 COC1C2C=COC2=Nc3c(OC)cccc13 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 E08 compound treatment 1.056 0.228 2.36 1.038 0.282 3.01 3.794 0.9927 3082180 TimTec1_001856 CCCCc1cc(CCCC)n2nc(cc2n1)c3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 E09 compound treatment 1.084 0.256 2.65 1.086 0.33 3.52 4.3617 0.9901 1232294 TimTec1_001857 COc1cc2OCc3oc4c5CC(Oc5ccc4c(=O)c3-c2cc1OC)C(=C)CO 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 E10 compound treatment 1.311 0.483 5.0 1.297 0.541 5.78 7.6181 0.9974 1242147 TimTec1_001858 SC1=NN(C2=C(CCC2)S1)c3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 E11 compound treatment 0.909 0.0805 0.83 0.846 0.0897 0.96 1.2671 0.9976 1647435 TimTec1_001859 CCSc1nnc(NC(=O)C2CC=CCC2C(=O)O)s1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 E12 compound treatment 0.447 -0.381 -3.95 0.513 -0.243 -2.6 -4.632 -0.9794 1075403 TimTec1_001860 OC(=O)CCCSc1nc2ccccc2s1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 E13 compound treatment 1.128 0.3 3.1 1.091 0.335 3.58 4.7217 0.9975 3082203 TimTec1_001861 CCOC(=O)c1c(NS(=O)(=O)c2ccc(Br)cc2)sc3CC(C)CCc13 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 E14 compound treatment 0.407 -0.421 -4.37 0.27 -0.486 -5.2 -6.7606 -0.9962 3082205 TimTec1_001862 Cc1ccn(n1)C(=S)Nc2ccccc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 E15 compound treatment 0.874 0.0455 0.47 0.837 0.0807 0.86 0.9427 0.9598 1913414 TimTec1_001863 NC(=O)CSc1nnnn1c2ccccc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 E16 compound treatment 1.272 0.444 4.59 1.276 0.52 5.55 7.1738 0.9956 1534949 TimTec1_001864 CC(C)CNC(=O)c1ccc(COc2ccc3ccccc3c2)o1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 E17 compound treatment 1.138 0.31 3.21 1.097 0.341 3.64 4.8403 0.998 1920302 TimTec1_001865 Cc1sc2ncnc(SCC(=O)O)c2c1C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 E18 compound treatment 1.27 0.442 4.57 1.262 0.506 5.4 7.0534 0.9966 1565212 TimTec1_001866 CCN(CC)C(=O)c1ccc(COc2ccccc2Cl)o1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 E19 compound treatment 0.952 0.124 1.28 0.882 0.126 1.34 1.8539 0.9997 3082210 TimTec1_001867 CCOc1cccc(/C=C/2\SC(=S)N(CC)C2=O)c1O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 E20 compound treatment 1.016 0.188 1.94 0.954 0.198 2.11 2.8665 0.9991 1608939 TimTec1_001868 O=C(N1CCOCC1)c2ccc(CSc3cccc4cccnc34)cc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 E21 compound treatment 0.875 0.0465 0.48 0.778 0.0217 0.23 0.5044 0.9435 3082212 TimTec1_001869 Cc1cc(no1)N2C(=O)CCC2=O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 E22 compound treatment 1.103 0.275 2.84 0.944 0.188 2.0 3.4281 0.9854 3082214 TimTec1_001870 CN(Cc1ccccc1)S(=O)(=O)c2ccccc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 E23 mock treatment 0.791 -0.0375 -0.39 0.746 -0.0103 -0.11 -0.3525 -0.8737 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 E24 mock treatment 0.826 -0.00247 -0.03 0.727 -0.0293 -0.31 -0.2397 -0.7622 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 F01 compound treatment 1.302 0.474 4.9 1.247 0.491 5.24 7.1744 0.9994 1506581 TimTec1_001871 CCCc1cc(=S)sc(N)n1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 F02 compound treatment 1.071 0.243 2.51 0.97 0.214 2.28 3.3902 0.9989 1696777 TimTec1_001872 Cc1c(oc2ccccc12)C(=O)NC3CCS(=O)(=O)C3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 F03 compound treatment 1.031 0.203 2.1 0.974 0.218 2.33 3.1275 0.9987 1274289 TimTec1_001873 COc1ccc(NC=O)c(CS(=O)(=O)c2ccc(C)cc2)n1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 F04 compound treatment 0.893 0.0645 0.67 0.806 0.0497 0.53 0.8477 0.9935 3209361 TimTec1_001874 CC(C)(C)c1ccc(/C=C/C(=O)NC2CCS(=O)(=O)C2)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 F05 compound treatment 0.793 -0.0355 -0.37 0.729 -0.0273 -0.29 -0.4663 -0.9936 3082218 TimTec1_001875 OC(=O)/C=C/C(=O)NN1C(=O)c2ccccc2C1=O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 F06 compound treatment 1.183 0.355 3.67 1.179 0.423 4.52 5.7893 0.9947 1130638 TimTec1_001876 CC1(C)Cc2ccccc2-c3nc(SCC(=O)c4ccccc4)n(CC=C)c(=O)c31 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 F07 compound treatment 1.037 0.209 2.16 1.018 0.262 2.8 3.5038 0.9919 1779186 TimTec1_001877 CC(C)COC(=O)C(C)Nc1n[nH]c(=S)[nH]c1=O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 F08 compound treatment 0.76 -0.0685 -0.71 0.704 -0.0523 -0.56 -0.8968 -0.9931 3209362 TimTec1_001878 O=C/1NC(=S)S\C1=C/C=C/c2ccccc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 F09 compound treatment 1.003 0.175 1.81 0.886 0.13 1.39 2.2576 0.9914 3209363 TimTec1_001879 CC(C)(C)c1ccc(/C=C/2\CCCC(=C3SCCCS3)C2=O)c4OCOc41 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 F10 compound treatment 0.857 0.0285 0.3 0.81 0.0537 0.57 0.6143 0.9525 3082222 TimTec1_001880 CN1CC=C2[C@@H](C1)[C@H](c3ccncc3)C(C#N)(C#N)C(=C2C(=O)O)N 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 F11 compound treatment 0.155 -0.673 -6.98 0.154 -0.602 -6.44 -9.4824 -0.9992 1653015 TimTec1_001881 OC12OCCN(C2=CC(=O)c3ccccc31)c4ccccc4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 F12 compound treatment 0.97 0.142 1.47 0.881 0.125 1.33 1.9782 0.9989 3082224 TimTec1_001882 Cn1cnnc1SCc2ccc(cc2)C(=O)O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 F13 compound treatment 1.336 0.508 5.26 1.344 0.588 6.28 8.1562 0.9961 3209364 TimTec1_001883 Cc1ccc(cc1)C(=O)OC2CSC2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 F14 compound treatment 1.196 0.368 3.81 1.143 0.387 4.13 5.6125 0.9992 1312775 TimTec1_001884 COc1cc(NC(=O)c2ccc(CSC3CCCCC3)cc2)cc(OC)c1OC 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 F15 compound treatment 1.215 0.387 4.0 1.159 0.403 4.3 5.8725 0.9994 3082227 TimTec1_001885 Fc1ccc(cc1Cl)C2=NNC3(C2)C(=O)Nc4ccccc43 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 F16 compound treatment 0.603 -0.225 -2.34 0.531 -0.225 -2.41 -3.3535 -0.9999 1110868 TimTec1_001886 CC(C)(Oc1ccc(Br)cc1)C(=O)O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 F17 compound treatment 0.88 0.0515 0.53 0.858 0.102 1.09 1.1453 0.9465 3209365 TimTec1_001887 CCCC(=O)c1ccc2=Sc3ccccc3N(=c2c1)CCCN(C)C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 F18 compound treatment 1.193 0.365 3.78 1.175 0.419 4.47 5.8323 0.9964 3082260 TimTec1_001888 O=C(NCCOc1ccccc1c2ccccc2)c3cccc4ccccc34 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 F19 compound treatment 1.348 0.52 5.38 1.343 0.587 6.27 8.2365 0.9971 3082232 TimTec1_001889 CCSc1nnc([nH]1)c2c(Cl)c(CC)nn2C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 F20 compound treatment 0.36 -0.468 -4.85 0.269 -0.487 -5.21 -7.1123 -0.9994 3082235 TimTec1_001890 Fc1ccc(cc1)C(=O)CCCSc2nc3ccc(Cl)cc3s2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 F21 compound treatment 0.097 -0.731 -7.58 0.107 -0.649 -6.94 -10.2622 -0.999 1676324 TimTec1_001891 CC1=Nc2ccccc2N(CC(O)Cn3c4ccccc4c5ccccc35)C(=O)C1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 F22 compound treatment 1.206 0.378 3.91 1.148 0.392 4.18 5.7235 0.9994 3082237 TimTec1_001892 CSc1nc2CCCCCc2cc1C#N 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 F23 mock treatment 0.908 0.0795 0.82 0.841 0.0847 0.9 1.222 0.9989 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 F24 mock treatment 0.834 0.00553 0.06 0.762 0.00566 0.06 0.0832 0.9996 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 G01 compound treatment 1.115 0.287 2.97 1.015 0.259 2.76 4.0524 0.9994 3082238 TimTec1_001893 NC(=O)CSc1nc(ccc1C#N)c2ccncc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 G02 compound treatment 1.231 0.403 4.17 1.146 0.39 4.16 5.8915 1.0 3209366 TimTec1_001894 Ic1ccc(/C=C/2\SC(=N)NC2=O)o1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 G03 compound treatment 1.102 0.274 2.83 1.086 0.33 3.52 4.4935 0.9942 3082240 TimTec1_001895 CN(Cc1cccs1)C(=S)SCc2cccs2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 G04 compound treatment 0.982 0.154 1.59 0.875 0.119 1.27 2.0207 0.9937 3209367 TimTec1_001896 NC(=O)Cn1nnc(n1)c2ccccc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 G05 compound treatment 0.979 0.151 1.56 0.924 0.168 1.79 2.3689 0.9976 3209368 TimTec1_001897 OC(=O)c1ccccc1c2ccc(/C=N/N3C(=O)C4C5CC(C=C5)C4C3=O)o2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 G06 compound treatment 1.065 0.237 2.45 1.051 0.295 3.15 3.9581 0.9923 1473623 TimTec1_001898 CCCCC1(CC(=O)N2CCOCC2)C(=O)N(N(C1=O)c3ccccc3)c4ccccc4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 G07 compound treatment 1.1 0.272 2.81 1.11 0.354 3.78 4.6602 0.9894 3209369 TimTec1_001899 COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 G08 compound treatment 0.784 -0.0445 -0.46 0.737 -0.0193 -0.21 -0.4718 -0.9346 1265525 TimTec1_001900 Cc1cc(=O)n2nc(nc2[nH]1)S(=O)(=O)C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 G09 compound treatment 0.886 0.0575 0.6 0.819 0.0627 0.67 0.8947 0.9983 3209370 TimTec1_001901 CC(C)C(O)(C(C)O)C(=O)OC[C@@H]1CCN2CCC[C@@H]12 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 G10 compound treatment 1.192 0.364 3.77 1.164 0.408 4.36 5.7419 0.9974 3082244 TimTec1_001902 Sc1nnc(Cc2cccc3ccccc23)o1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 G11 compound treatment 0.824 -0.00447 -0.05 0.779 0.0227 0.24 0.1384 0.5617 3209371 TimTec1_001903 OC(=O)C1C(C2CC1C=C2)C(=O)Nc3nc4ccc(Br)cc4s3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 G12 compound treatment 0.887 0.0585 0.61 0.805 0.0487 0.52 0.7962 0.9971 1779185 TimTec1_001904 CC(C)OC(=O)C(C)Nc1n[nH]c(=O)[nH]c1=O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 G13 compound treatment 0.884 0.0555 0.58 0.806 0.0497 0.53 0.7818 0.9992 3082246 TimTec1_001905 Cc1cc(C)n(n1)C(=O)CSc2nc(C)c(C)cc2C#N 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 G14 compound treatment 0.398 -0.43 -4.46 0.31 -0.446 -4.77 -6.5243 -0.9994 1137282 TimTec1_001906 O=C(Nc1ccccc1)c2ccn(n2)C(=O)c3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 G15 compound treatment 1.35 0.522 5.4 1.34 0.584 6.24 8.2285 0.9974 3209372 TimTec1_001907 Cc1cc(NC(=O)C(F)(F)F)n(n1)c2ccccc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 G16 compound treatment 1.373 0.545 5.64 1.351 0.595 6.35 8.4801 0.9982 1200660 TimTec1_001908 CN(C1CCCCC1)C(=O)c2ccc(COc3ccc(C)c(C)c3)o2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 G17 compound treatment 1.322 0.494 5.11 1.322 0.566 6.04 7.8875 0.9965 1113186 TimTec1_001909 Brc1ccc2noc(c3ccccc3)c2c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 G18 compound treatment 1.143 0.315 3.26 1.132 0.376 4.01 5.1413 0.9946 1294501 TimTec1_001910 CN(C(=O)c1ccc(COc2ccccc2Cl)o1)c3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 G19 compound treatment 0.825 -0.00347 -0.04 0.732 -0.0243 -0.26 -0.2093 -0.7972 3209491 TimTec1_001911 COC(=O)C1=CO[C@H](C)[C@@H]2CN3CCC4(C3C[C@@H]21)C(=O)Nc5ccccc54 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 G20 compound treatment 0.998 0.17 1.76 0.888 0.132 1.41 2.2361 0.994 1332425 TimTec1_001912 Cc1nnc(SCc2ccc(cc2)C(=O)N3CCOCC3)s1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 G21 compound treatment 0.661 -0.167 -1.73 0.622 -0.134 -1.44 -2.2413 -0.9956 1920052 TimTec1_001913 OC(=O)/C=C/C(=O)NCc1ccccc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 G22 compound treatment 1.005 0.177 1.83 0.906 0.15 1.6 2.4234 0.9978 1403707 TimTec1_001914 CC(C)(C)S(=O)(=O)c1cccc(c1)S(=O)(=O)C(C)(C)C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 G23 mock treatment 0.765 -0.0635 -0.66 0.794 0.0377 0.4 -0.1804 -0.234 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 G24 mock treatment 0.845 0.0165 0.17 0.785 0.0287 0.31 0.3375 0.9623 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 H01 compound treatment 1.15 0.322 3.33 1.044 0.288 3.07 4.5278 0.9992 3209492 TimTec1_001915 CCOC(C)n1cccc1c2ccccc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 H02 compound treatment 0.671 -0.157 -1.63 0.719 -0.0373 -0.4 -1.4353 -0.8549 1257360 TimTec1_001916 CC(C)Cc1nc(C#N)c(NCC=C)o1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 H03 compound treatment 1.357 0.529 5.47 1.352 0.596 6.36 8.3704 0.9972 1616013 TimTec1_001917 Cc1ccc(cc1)S(=O)(=O)c2n[nH]c3ccc(Cl)cc23 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 H04 compound treatment 1.034 0.206 2.13 0.971 0.215 2.29 3.1268 0.9993 1492803 TimTec1_001918 CC(C)OC(=O)C1=C(C)NC(=O)NC1C2CCC=CC2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 H05 compound treatment 0.964 0.136 1.4 0.907 0.151 1.61 2.1307 0.9977 3082254 TimTec1_001919 NC(=N)NS(=O)(=O)c1ccc(NC(=O)/C=C/C(=O)O)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 H06 compound treatment 1.057 0.229 2.37 1.029 0.273 2.91 3.7334 0.9947 3209493 TimTec1_001920 FC(F)(F)c1cccc(NC(=O)Cn2ccc3ccccc23)c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 H07 compound treatment 0.919 0.0905 0.94 0.848 0.0917 0.98 1.3554 0.9998 3082255 TimTec1_001921 CSc1nnc(C)c(=O)[nH]1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 H08 compound treatment 1.074 0.246 2.54 0.944 0.188 2.0 3.2158 0.9931 1174278 TimTec1_001922 COc1ccc(cc1)C(=O)Nc2cccc(c2)c3nc4ccccc4s3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 H09 compound treatment 0.919 0.0905 0.94 0.818 0.0617 0.66 1.1288 0.9851 1288259 TimTec1_001923 Cn1nc(CC(=O)NN)c2ccccc2c1=O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 H10 compound treatment 0.999 0.171 1.77 0.924 0.168 1.79 2.5154 1.0 1396336 TimTec1_001924 COc1ccc(Cl)cc1C(=O)N2CCCC2C(=O)OCc3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 H11 compound treatment 1.206 0.378 3.91 1.19 0.434 4.63 6.0408 0.9964 1259025 TimTec1_001925 COc1ccc(cc1)c2cc(nc(NC(=S)N)n2)c3ccccc3O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 H12 compound treatment 1.19 0.362 3.74 1.168 0.412 4.4 5.7574 0.9968 3209494 TimTec1_001926 CSc1ccccc1C(=O)NCCOc2ccccc2C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 H13 compound treatment 0.959 0.131 1.35 0.878 0.122 1.3 1.875 0.9998 3082265 TimTec1_001927 O=C(OC1CSC1)c2cccs2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 H14 compound treatment 0.926 0.0975 1.01 0.824 0.0677 0.72 1.2254 0.9865 1610378 TimTec1_001928 CCS(=O)(=O)Nc1ccc(Br)cn1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 H15 compound treatment 1.03 0.202 2.09 0.974 0.218 2.33 3.1201 0.9985 1433512 TimTec1_001929 COc1ccc2cc(C3SC(C)C(=O)N3C4CCCO4)c(Cl)nc2c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 H16 compound treatment 0.803 -0.0255 -0.26 0.773 0.0167 0.18 -0.0607 -0.1908 1347404 TimTec1_001930 CN1C(=O)N(C)C(=O)C(CCc2ccncc2)(C1=O)C3(CCCCC3)C#N 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 H17 compound treatment 1.302 0.474 4.9 1.264 0.508 5.42 7.3029 0.9987 1631720 TimTec1_001931 Cc1ccc(cc1)C2C=C(NC(=O)C2C#N)c3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 H18 compound treatment 0.908 0.0795 0.82 0.813 0.0567 0.61 1.0104 0.9885 3082269 TimTec1_001932 CS(=O)(=O)c1nc(n[nH]1)c2ccc(Cl)cc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 H19 compound treatment 1.132 0.304 3.14 1.041 0.285 3.04 4.3733 0.9999 1458072 TimTec1_001933 C1OC(OCc2nonc12)c3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 H20 compound treatment 0.845 0.0165 0.17 0.81 0.0537 0.57 0.5264 0.8799 1288232 TimTec1_001934 CC(=C)CC(N)(CC(=C)C)c1ccncc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 H21 compound treatment 1.021 0.193 1.99 0.994 0.238 2.54 3.2053 0.9929 1301124 TimTec1_001935 CSc1nsc(SC)c1NC(=O)OCC2CCCO2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 H22 compound treatment 0.602 -0.226 -2.35 0.533 -0.223 -2.39 -3.3457 -1.0 3209495 TimTec1_001936 CC1CCN(CC1)S(=O)(=O)c2ccc(NC(=O)/C=C/c3ccccc3)cc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 H23 mock treatment 0.917 0.0885 0.92 0.867 0.111 1.18 1.4843 0.9921 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 H24 mock treatment 0.803 -0.0255 -0.26 0.739 -0.0173 -0.19 -0.3175 -0.9851 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 I01 compound treatment 1.346 0.518 5.36 1.316 0.56 5.98 8.0179 0.9985 1268779 TimTec1_001937 Cc1ccc2c(N)c(sc2n1)C(=O)c3ccc(Cl)cc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 I02 compound treatment 0.078 -0.75 -7.77 0.063 -0.693 -7.41 -10.7338 -0.9997 3209496 TimTec1_001938 Nc1sc(=S)n(c1c2nc3ccccc3s2)c4ccccc4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 I03 compound treatment 1.167 0.339 3.51 1.163 0.407 4.34 5.5512 0.9943 1735247 TimTec1_001939 Cc1ccc(cc1)N(c2ccc(C)cc2)c3cccnc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 I04 compound treatment 0.983 0.155 1.6 0.953 0.197 2.1 2.6173 0.991 1463202 TimTec1_001940 S=c1oc2ccccc2n1Cn3c(=S)oc4ccccc34 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 I05 compound treatment 1.123 0.295 3.05 1.064 0.308 3.29 4.4811 0.9993 1128826 TimTec1_001941 Cc1ccc(cc1C)N(Cc2ccc(cc2)C(=O)O)S(=O)(=O)C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 I06 compound treatment 1.14 0.312 3.23 1.186 0.43 4.59 5.5272 0.9851 1310569 TimTec1_001942 O=C(CSc1nc2ccccc2nc1SCC(=O)N3CCCCC3)N4CCCCC4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 I07 compound treatment 0.927 0.0985 1.02 0.885 0.129 1.37 1.6935 0.9893 1383182 TimTec1_001943 COc1cc2cc(Oc3ccc4ccc(=O)oc4c3)c(=O)oc2cc1OC(=O)C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 I08 compound treatment 1.043 0.215 2.22 0.954 0.198 2.11 3.0643 0.9997 1574289 TimTec1_001944 CC(C)(C)NC(=O)CSc1nc2ccccc2nc1SCC(=O)NC(C)(C)C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 I09 compound treatment 0.88 0.0515 0.53 0.816 0.0597 0.64 0.828 0.9961 3209497 TimTec1_001945 COC(C)C(O)(C(C)C)C(=O)OC1=CCN2CC[C@H](O)[C@H]21 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 I10 compound treatment 0.045 -0.783 -8.11 0.043 -0.713 -7.62 -11.1265 -0.9995 1160311 TimTec1_001946 Cc1ccc(o1)C(=O)CSC#N 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 I11 compound treatment 0.684 -0.144 -1.5 0.7 -0.0563 -0.6 -1.4837 -0.9199 1681019 TimTec1_001947 S=C(NC1CCCCC1)N2CCN(Cc3ccc4OCOc4c3)CC2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 I12 compound treatment 0.9 0.0715 0.74 0.831 0.0747 0.8 1.0878 0.9993 1315095 TimTec1_001948 Cc1nnc(NCCc2ccccc2)[nH]c1=O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 I13 compound treatment 0.894 0.0655 0.68 0.834 0.0777 0.83 1.0666 0.995 3209498 TimTec1_001949 CC1CCc2c(C#N)c(NC(=O)c3cc4nc(cc(n4n3)C(F)(F)F)c5ccccc5)sc2C1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 I14 compound treatment 1.049 0.221 2.28 0.934 0.178 1.9 2.9571 0.9958 1544670 TimTec1_001950 CCOc1ccc(cc1)c2nc3ccc(Br)cc3c(C(=O)O)c2C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 I15 compound treatment 0.773 -0.0555 -0.57 0.748 -0.00834 -0.09 -0.4693 -0.8072 3209499 TimTec1_001951 Oc1ccc(cc1)c2nc3sc(nc3s2)c4ccc(O)cc4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 I16 compound treatment 1.38 0.552 5.71 1.361 0.605 6.46 8.6069 0.9981 1375855 TimTec1_001952 Clc1ccc(Cl)c(OCc2ccc(o2)C(=O)NC3CCCC3)c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 I17 compound treatment 1.069 0.241 2.49 0.98 0.224 2.39 3.4511 0.9998 1710780 TimTec1_001953 Cc1ccc(cc1)C(=O)OCC2OC3C(Oc4c(C)c(=O)ncn34)C2OC(=O)c5ccc(C)cc5 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 I18 compound treatment 0.657 -0.171 -1.78 0.598 -0.158 -1.69 -2.4519 -0.9997 1488850 TimTec1_001954 CC(C)c1ccc(OCc2ccc(o2)C(=O)N(C)C)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 I19 compound treatment 0.359 -0.469 -4.86 0.344 -0.412 -4.41 -6.5531 -0.9988 3082282 TimTec1_001955 c1ccc(cc1)c2ccnc(c2)c3cc(ccn3)c4ccccc4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 I20 compound treatment 1.409 0.581 6.01 1.388 0.632 6.75 9.0232 0.9983 3209500 TimTec1_001956 O=S(=O)(c1ccsc1)c2ccsc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 I21 compound treatment 0.056 -0.772 -8.0 0.054 -0.702 -7.5 -10.9629 -0.9995 1577514 TimTec1_001957 CC1Oc2ccccc2C(=O)N1c3ccc(OC=C)cc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 I22 compound treatment 0.906 0.0775 0.8 0.825 0.0687 0.73 1.0864 0.999 1686206 TimTec1_001958 CC(C)(C)S(=O)(=O)c1ccc(cc1)S(=O)(=O)C(C)(C)C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 I23 mock treatment 0.794 -0.0345 -0.36 0.781 0.0247 0.26 -0.0662 -0.1492 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 I24 mock treatment 0.864 0.0355 0.37 0.816 0.0597 0.64 0.7109 0.9659 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 J01 compound treatment 1.147 0.319 3.3 1.108 0.352 3.76 4.9893 0.9979 3082285 TimTec1_001959 CC(C)OC(C)n1cccc1c2ccccc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 J02 compound treatment 1.395 0.567 5.87 1.246 0.49 5.23 7.848 0.9984 1308224 TimTec1_001960 Cc1c(oc2ccccc12)C(=O)Nc3ccc4ccccc4c3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 J03 compound treatment 1.165 0.337 3.49 1.133 0.377 4.02 5.3099 0.9974 1495070 TimTec1_001961 COc1ccccc1NCC(=O)n2nc(cc2c3ccccc3)c4ccccc4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 J04 compound treatment 1.188 0.36 3.72 1.119 0.363 3.87 5.3726 0.9998 3209501 TimTec1_001962 Cc1ccc(cc1)S(=O)(=O)/C(=C/C2=Cc3ccccc3OC2)/C#N 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 J05 compound treatment 0.063 -0.765 -7.93 0.06 -0.696 -7.44 -10.8663 -0.9995 3082288 TimTec1_001963 Oc1cccc(/C=N/c2ccccc2C#N)c1O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 J06 compound treatment 1.245 0.417 4.31 1.18 0.424 4.53 6.2509 0.9997 1558299 TimTec1_001964 CCOc1ccc(NC(=O)CN2CCCc3ccccc23)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 J07 compound treatment 1.106 0.278 2.87 1.05 0.294 3.14 4.2509 0.999 1170983 TimTec1_001965 COC(=O)C(NC(=O)Nc1ccccc1)C(C)C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 J08 compound treatment 1.285 0.457 4.73 1.264 0.508 5.42 7.1784 0.9977 1183270 TimTec1_001966 CC(C)CC(=O)Nc1cccc(c1)c2nc3cc(C)ccc3o2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 J09 compound treatment 0.95 0.122 1.26 0.878 0.122 1.3 1.8091 0.9999 1047437 TimTec1_001967 CC(C(=O)O)(c1ccccc1)c2ccccc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 J10 compound treatment 0.712 -0.116 -1.21 0.668 -0.0883 -0.94 -1.5203 -0.9926 3209502 TimTec1_001968 CN1C(=O)/C(=C(/C#N)\C(=O)N)/c2ccccc12 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 J11 compound treatment 0.442 -0.386 -4.0 0.394 -0.362 -3.87 -5.5675 -0.9999 3082292 TimTec1_001969 CC1(O)CCOCC1NC(Cc2cc3ccccc3[nH]2)C(=O)O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 J12 compound treatment 0.622 -0.206 -2.14 0.591 -0.165 -1.77 -2.7611 -0.9955 3209503 TimTec1_001970 CN1C(=O)C2C=CC=CC2N=C1SCC(=O)N 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 J13 compound treatment 1.088 0.26 2.69 1.033 0.277 2.96 3.9906 0.9989 1534000 TimTec1_001971 O=C(c1nnn2CC(=O)OC3(CCCCC3)c12)c4ccccc4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 J14 compound treatment 0.915 0.0865 0.9 0.874 0.118 1.26 1.5225 0.9863 3082295 TimTec1_001972 O=C(CSCc1ccccc1)Nc2ccccc2C(=O)NCc3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 J15 compound treatment 1.065 0.237 2.45 0.997 0.241 2.57 3.5502 0.9997 3209618 TimTec1_001973 OC(=O)CC(S/C(=N/C1CCCC=C1)/N2CCCCC2)C(=O)O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 J16 compound treatment 1.45 0.622 6.44 1.492 0.736 7.86 10.1091 0.9951 3209619 TimTec1_001974 CC(C)CCCN1C(=O)NC(=O)/C(=C\c2ccc[nH]2)/C1=O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 J17 compound treatment 0.833 0.00453 0.05 0.775 0.0187 0.2 0.1741 0.8504 3082297 TimTec1_001975 O=C(N/C(=C\c1cccnc1)/C(=O)N2CCCCC2)c3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 J18 compound treatment 0.93 0.102 1.05 0.845 0.0887 0.95 1.4133 0.9986 1185980 TimTec1_001976 COc1cc(CNC(=O)c2ccccc2SC)cc(OC)c1OC 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 J19 compound treatment 1.165 0.337 3.49 1.151 0.395 4.22 5.4459 0.9955 3082299 TimTec1_001977 c1coc(c1)c2cc(on2)c3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 J20 compound treatment 0.638 -0.19 -1.97 0.741 -0.0153 -0.16 -1.5108 -0.7632 3209620 TimTec1_001978 FC(F)(F)C(=O)Nc1sc2CCCCc2c1C#N 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 J21 compound treatment 0.283 -0.545 -5.65 0.238 -0.518 -5.54 -7.9104 -1.0 1168141 TimTec1_001979 Cc1cc(C)c(C#N)c(SCCN2CCCCC2)n1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 J22 compound treatment 0.678 -0.15 -1.56 0.733 -0.0233 -0.25 -1.2783 -0.81 1235345 TimTec1_001980 O=C(NCCC1=CCCCC1)C(c2ccccc2)c3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 J23 mock treatment 0.934 0.106 1.09 0.804 0.0477 0.51 1.1329 0.9396 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 J24 mock treatment 0.855 0.0265 0.27 0.78 0.0237 0.25 0.373 0.9991 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 K01 compound treatment 0.198 -0.63 -6.53 0.176 -0.58 -6.2 -9.0013 -0.9997 3209621 TimTec1_001981 Cc1nc2ccc(cc2n1CCc3ccccc3)C(F)(F)F 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 K02 compound treatment 0.502 -0.326 -3.38 0.513 -0.243 -2.6 -4.2292 -0.9916 3082327 TimTec1_001982 Cc1ccc2nc(NC(=O)OC(C)(C)C)sc2c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 K03 compound treatment 1.005 0.177 1.83 0.935 0.179 1.91 2.6424 0.9998 1449100 TimTec1_001983 C[N+]1(Cc2ccccc2)CCCC1c3ccc(N)nc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 K04 compound treatment 0.194 -0.634 -6.57 0.125 -0.631 -6.74 -9.4159 -0.9999 3082329 TimTec1_001984 CC(=O)On1cc(F)c(=O)[nH]c1=O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 K05 compound treatment 0.953 0.125 1.29 0.908 0.152 1.62 2.0577 0.9936 1405621 TimTec1_001985 Cc1cc2ccc(=O)oc2cc1OC[C@@H](O)C(C)(C)O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 K06 compound treatment 1.04 0.212 2.19 1.001 0.245 2.61 3.3973 0.9961 3082331 TimTec1_001986 Cn1c(S)ncc1c2ccccc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 K07 compound treatment 0.999 0.171 1.77 0.959 0.203 2.17 2.7798 0.9949 1398791 TimTec1_001987 CNCC(O)c1cccc(O)c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 K08 compound treatment 1.165 0.337 3.49 1.136 0.38 4.06 5.3326 0.9972 3209623 TimTec1_001988 COc1ccc(cc1)C2NN(CN3CCOCC3)C(=S)N2Cc4ccccc4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 K09 compound treatment 0.92 0.0915 0.95 0.859 0.103 1.1 1.4458 0.9974 1115322 TimTec1_001989 COc1ccn(C)c(=O)c1C#N 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 K10 compound treatment 1.269 0.441 4.56 1.254 0.498 5.32 6.9857 0.9971 3082334 TimTec1_001990 CC1=C(C)N(N=C(S)S1)c2ccccc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 K11 compound treatment 0.928 0.0995 1.03 0.869 0.113 1.2 1.58 0.997 3209624 TimTec1_001991 O=C(C1CCCO1)N2CCN(C/C=C/c3ccccc3)CC2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 K12 compound treatment 0.893 0.0645 0.67 0.869 0.113 1.2 1.3236 0.9615 3082336 TimTec1_001992 CN(C)CCNc1nc(=O)[nH]nc1C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 K13 compound treatment 1.075 0.247 2.55 1.063 0.307 3.28 4.122 0.9924 1514990 TimTec1_001993 Clc1ccc(cc1)C(=O)N2CCN(CC2)C(c3ccccc3)c4ccccc4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 K14 compound treatment 0.728 -0.1 -1.04 0.741 -0.0153 -0.16 -0.8517 -0.8085 3082338 TimTec1_001994 O/C=C\1/C(=O)NC(=O)N(C1=O)c2ccc(Cl)cc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 K15 compound treatment 0.926 0.0975 1.01 0.86 0.104 1.11 1.4973 0.9989 1598606 TimTec1_001995 CC(=O)Nc1nonc1NC2=CCCCC2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 K16 compound treatment 1.332 0.504 5.22 1.322 0.566 6.04 7.9607 0.9973 1221200 TimTec1_001996 CC(C)CNC(=O)c1ccc(COc2cc(Cl)ccc2Cl)o1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 K17 compound treatment 0.662 -0.166 -1.72 0.528 -0.228 -2.44 -2.9441 -0.9856 3209625 TimTec1_001997 CC(=O)OCC(=O)Nc1cc(Cl)cc(Cl)c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 K18 compound treatment 1.328 0.5 5.17 1.326 0.57 6.09 7.9616 0.9967 1148960 TimTec1_001998 CCc1ccc(cc1)c2cc(C(=O)OC)c3ccccc3n2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 K19 compound treatment 0.042 -0.786 -8.15 0.041 -0.715 -7.64 -11.1636 -0.9995 3209626 TimTec1_001999 O=C(ON1C(=O)CCC1=O)c2ccccc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 K20 compound treatment 0.88 0.0515 0.53 0.849 0.0927 0.99 1.0773 0.958 3082343 TimTec1_002000 CCOC(=O)CSc1nc(C)cs1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 K21 compound treatment 0.812 -0.0165 -0.17 0.819 0.0627 0.67 0.3527 0.5106 3209627 TimTec1_002001 CC(NC(C(=O)O)c1ccccc1)c2ccccc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 K22 compound treatment 0.83 0.00153 0.02 0.767 0.0107 0.11 0.0917 0.7979 1544248 TimTec1_002002 COc1cccc(NC(=O)COC(=O)C)c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 K23 mock treatment 0.825 -0.00347 -0.04 0.793 0.0367 0.39 0.2515 0.6396 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 K24 mock treatment 0.849 0.0205 0.21 0.795 0.0387 0.41 0.4424 0.9524 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 L01 compound treatment 1.145 0.317 3.28 1.061 0.305 3.25 4.6196 1.0 3209628 TimTec1_002003 CC(C)(O)/C(=C/C#N)/n1cccn1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 L02 compound treatment 0.063 -0.765 -7.93 0.06 -0.696 -7.44 -10.8663 -0.9995 3209629 TimTec1_002004 COc1ccc(OCC(=O)Sc2ccc(Cl)cc2)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 L03 compound treatment 0.789 -0.0395 -0.41 0.665 -0.0913 -0.98 -0.9791 -0.9254 3082347 TimTec1_002005 O=C(/C=C/c1ccccc1)N2CCN(Cc3ccccc3)CC2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 L04 compound treatment 0.114 -0.714 -7.4 0.105 -0.651 -6.96 -10.1528 -0.9995 1118669 TimTec1_002006 COc1cccc(c1)C(CC(=O)c2ccc(Cl)cc2)C(C#N)C#N 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 L05 compound treatment 0.951 0.123 1.27 0.939 0.183 1.95 2.2772 0.9783 3082349 TimTec1_002007 CC(C)OC(=O)C(C)/N=C/c1ccccc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 L06 compound treatment 1.209 0.381 3.94 1.182 0.426 4.55 6.0023 0.9975 3209630 TimTec1_002008 Clc1ccc(SC(CC(=O)C2CC2)c3ccc(Cl)cc3)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 L07 compound treatment 0.658 -0.17 -1.77 0.362 -0.394 -4.21 -4.2274 -0.9255 1021708 TimTec1_002009 c1ccc(cc1)c2nc3ccccc3o2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 L08 compound treatment 1.15 0.322 3.33 1.132 0.376 4.01 5.1925 0.9957 3209631 TimTec1_002010 COC(=O)c1c(N/C=C/2\C(=O)NC(=O)N(Cc3ccccc3)C2=O)sc4CCCCc14 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 L09 compound treatment 0.838 0.00953 0.1 0.827 0.0707 0.75 0.6036 0.7928 1168270 TimTec1_002011 CCN(CC)c1ncn(Cc2c(Cl)cccc2Cl)c3ncnc13 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 L10 compound treatment 0.991 0.163 1.68 0.923 0.167 1.78 2.4493 0.9996 3209632 TimTec1_002012 COc1ccccc1OCCNC(=O)c2ccc(cc2)S(=O)(=O)N(C)C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 L11 compound treatment 0.651 -0.177 -1.84 0.565 -0.191 -2.04 -2.7452 -0.9986 3082356 TimTec1_002013 OCC/N=C(/N1CCN(CC1)\C(=N\CCO)\c2ccc(Cl)cc2)\c3ccc(Cl)cc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 L12 compound treatment 1.033 0.205 2.12 0.989 0.233 2.49 3.2554 0.9968 1733839 TimTec1_002014 Cn1c(SCc2ccoc2C(=O)O)nnc1c3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 L13 compound treatment 1.403 0.575 5.95 1.387 0.631 6.74 8.9717 0.9981 1368186 TimTec1_002015 NC(=O)CC(=O)c1c(O)c2ccccc2n(c3ccccc3)c1=O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 L14 compound treatment 0.897 0.0685 0.71 0.787 0.0307 0.33 0.7335 0.9383 3082357 TimTec1_002016 Fc1ccccc1OCCNC(=O)c2ccccc2Nc3cccc4ccccc34 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 L15 compound treatment 0.967 0.139 1.43 0.915 0.159 1.69 2.2131 0.9966 3209633 TimTec1_002017 NC(=O)/C(=C/c1ccc(Cl)cc1)/NC(=O)c2ccccc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 L16 compound treatment 0.904 0.0755 0.78 0.871 0.115 1.22 1.4193 0.9765 1533648 TimTec1_002018 CC(NC(=O)CSc1nn(c2ccccc2)c(=S)s1)c3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 L17 compound treatment 1.191 0.363 3.75 1.167 0.411 4.39 5.7572 0.997 3082358 TimTec1_002019 Oc1ccc(/C=C\2/NC(=S)Nc3[nH]\c(=N\c4ccccc4)\sc23)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 L18 compound treatment 1.129 0.301 3.11 1.096 0.34 3.63 4.7668 0.9971 3209634 TimTec1_002020 CN1C(=O)C2C=CC=CC2N=C1SCc3ccccc3F 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 L19 compound treatment 0.945 0.117 1.21 0.848 0.0917 0.98 1.5458 0.9946 3082359 TimTec1_002021 CN(C)c1ccc(cc1)n2c(C)cc(/C=N/c3ccc(O)c(c3)C(=O)O)c2C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 L20 compound treatment 0.348 -0.48 -4.98 0.393 -0.363 -3.88 -6.2635 -0.9925 3209635 TimTec1_002022 OC(=O)/C=C/C(=O)N1CCc2ccccc12 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 L21 compound treatment 0.649 -0.179 -1.86 0.628 -0.128 -1.37 -2.2839 -0.9888 3082361 TimTec1_002023 Fc1ccc(/C=c\2/sc3=NCCn3c2=O)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 L22 compound treatment 0.981 0.153 1.58 0.995 0.239 2.55 2.9199 0.9735 1356390 TimTec1_002024 Cc1ccc(OCC(=O)Nc2ccc(cc2)S(=O)(=O)N3CCCC3)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 L23 mock treatment 0.92 0.0915 0.95 0.848 0.0917 0.98 1.3627 0.9999 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 L24 mock treatment 0.775 -0.0535 -0.55 0.655 -0.101 -1.08 -1.1572 -0.9515 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 M01 compound treatment 1.212 0.384 3.97 1.172 0.416 4.44 5.9488 0.9985 1265733 TimTec1_002025 CCOC(=O)c1c(C)c(sc1N)C(=O)N2CCOCC2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 M02 compound treatment 1.028 0.2 2.07 0.931 0.175 1.87 2.7807 0.9987 3209636 TimTec1_002026 Oc1ccc(/C=C/2\SC(=N)NC2=O)cc1Br 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 M03 compound treatment 1.162 0.334 3.45 1.126 0.37 3.95 5.2351 0.9978 3082390 TimTec1_002027 Cc1ccc(NC(=O)OC(C)(C)C)s1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 M04 compound treatment 1.072 0.244 2.52 1.042 0.286 3.05 3.9414 0.9955 3209637 TimTec1_002028 COc1ccc(CC(=O)N2N=C(C)CC2(O)C(F)(F)F)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 M05 compound treatment 1.313 0.485 5.02 1.311 0.555 5.93 7.7385 0.9966 3082392 TimTec1_002029 CC(=CCc1c(O)cc(O)c2C(=O)C[C@H](Oc12)c3ccccc3)C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 M06 compound treatment 0.982 0.154 1.59 0.949 0.193 2.06 2.5798 0.9919 3209638 TimTec1_002030 CN(C)C(=O)CSc1nnc(o1)c2ccco2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 M07 compound treatment 0.984 0.156 1.61 0.927 0.171 1.82 2.4282 0.9981 1286462 TimTec1_002031 CN1C2N=CN(CCCO)C2C(=O)N(C)C1=O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 M08 compound treatment 1.277 0.449 4.65 1.265 0.509 5.43 7.1273 0.997 1699709 TimTec1_002032 COc1ccc(C(=O)Nc2ccc(cc2)S(=O)(=O)N3CCCCC3C)c(OC)c1OC 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 M09 compound treatment 0.901 0.0725 0.75 0.867 0.111 1.18 1.3671 0.976 1409515 TimTec1_002033 CC(=O)Oc1ccn(C)c(=O)c1C#N 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 M10 compound treatment 0.966 0.138 1.42 0.857 0.101 1.08 1.7676 0.9904 1211785 TimTec1_002034 CC1(C)Oc2ccc(NC(=O)C3(CCCC3)c4ccccc4)cc2O1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 M11 compound treatment 1.223 0.395 4.09 1.151 0.395 4.22 5.8707 0.9999 1344646 TimTec1_002035 Cc1occc1C(=O)Nc2ccc(F)c(F)c2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 M12 compound treatment 0.979 0.151 1.56 0.936 0.18 1.92 2.4596 0.9947 1915457 TimTec1_002036 O=c1[nH]nc(SCc2ccccc2)c(=S)[nH]1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 M13 compound treatment 0.675 -0.153 -1.59 0.593 -0.163 -1.75 -2.3579 -0.9989 1068232 TimTec1_002037 COC(=O)Nc1c(C)cc(C)cc1C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 M14 compound treatment 1.005 0.177 1.83 0.896 0.14 1.49 2.3478 0.9949 1147050 TimTec1_002038 Clc1ccc(OCc2ccc(o2)C(=O)NC3CCOC3=O)c(Cl)c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 M15 compound treatment 0.174 -0.654 -6.78 0.172 -0.584 -6.24 -9.2073 -0.9992 1216899 TimTec1_002039 Clc1ccccc1C(=O)c2cc(Br)ccc2NC(=O)CSC3=NCCS3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 M16 compound treatment 0.983 0.155 1.6 0.923 0.167 1.78 2.3907 0.9986 1413128 TimTec1_002040 CCCc1ccc(OCc2ccc(o2)C(=O)NCc3cccnc3)c(OC)c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 M17 compound treatment 0.94 0.112 1.16 0.889 0.133 1.42 1.8189 0.9949 3082399 TimTec1_002041 CC(=O)OCC(=O)Nc1ccccc1C(F)(F)F 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 M18 compound treatment 0.936 0.108 1.11 0.904 0.148 1.58 1.9029 0.9855 1538207 TimTec1_002042 O=C(COC(=O)c1c2CCCCc2nc3ccccc13)Nc4nc5ccccc5s4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 M19 compound treatment 1.054 0.226 2.34 1.064 0.308 3.29 3.9758 0.986 1322184 TimTec1_002043 CCOc1ccc2nc(SCc3nc4ccccc4[nH]3)sc2c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 M20 compound treatment 0.166 -0.662 -6.86 0.149 -0.607 -6.49 -9.4396 -0.9996 3209758 TimTec1_002044 CN(Cc1cccs1)C(=S)SCCO 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 M21 compound treatment 0.846 0.0175 0.18 0.835 0.0787 0.84 0.7226 0.8405 1690142 TimTec1_002045 CC(NS(=O)(=O)c1ccc(Cl)cc1)C(=O)O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 M22 compound treatment 0.762 -0.0665 -0.69 0.671 -0.0853 -0.91 -1.1315 -0.9904 3082402 TimTec1_002046 CC(=O)OCC(=O)Nc1cccc(C)c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 M23 mock treatment 0.915 0.0865 0.9 0.812 0.0557 0.59 1.0542 0.9801 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 M24 mock treatment 0.845 0.0165 0.17 0.746 -0.0103 -0.11 0.0429 0.2107 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 N01 compound treatment 1.119 0.291 3.01 1.024 0.268 2.86 4.1497 0.9997 3209759 TimTec1_002047 Nc1nc(cc(=S)s1)c2ccccc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 N02 compound treatment 0.044 -0.784 -8.12 0.042 -0.714 -7.63 -11.1414 -0.9995 1028245 TimTec1_002048 Clc1ccc(SC(=O)c2ccco2)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 N03 compound treatment 1.364 0.536 5.55 1.315 0.559 5.97 8.1422 0.9993 1713032 TimTec1_002049 COC(=O)c1ccccc1NC(=O)Cc2ccc(Cl)cc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 N04 compound treatment 1.306 0.478 4.95 1.3 0.544 5.81 7.6041 0.9968 3083578 TimTec1_002050 Brc1ccc(cc1)C(C#N)C(CC#N)c2ccccc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 N05 compound treatment 0.914 0.0855 0.89 0.816 0.0597 0.64 1.077 0.9869 3209760 TimTec1_002051 OC(=O)/C=C/C(=O)N1CCN(CC1)C(=O)\C=C\C(=O)O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 N06 compound treatment 0.165 -0.663 -6.87 0.132 -0.624 -6.67 -9.5754 -0.9999 3209761 TimTec1_002052 CCc1ccc(/C=C/2\CN(C)C/C(=C\c3ccc(CC)cc3)/C2O)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 N07 compound treatment 1.004 0.176 1.82 0.965 0.209 2.23 2.8617 0.9949 1389451 TimTec1_002053 Nc1ccc2c(c1)nc(c3ccccc3)c4cc(N)ccc42 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 N08 compound treatment 1.065 0.237 2.45 0.993 0.237 2.53 3.52 0.9999 3209762 TimTec1_002054 Fc1ccc(cc1)N2C(=O)NC(=O)/C(=C\Nc3ccccc3)/C2=O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 N09 compound treatment 1.198 0.37 3.83 1.133 0.377 4.02 5.5516 0.9997 1139527 TimTec1_002055 OC(=O)c1ccc(cc1)N2Cc3ccc(Br)cc3C2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 N10 compound treatment 0.645 -0.183 -1.9 0.573 -0.183 -1.96 -2.7287 -0.9999 1168036 TimTec1_002056 Cn1c(=S)n(CN2CCC3(CC2)OCCO3)c4ccccc14 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 N11 compound treatment 0.97 0.142 1.47 0.892 0.136 1.45 2.0613 1.0 1535531 TimTec1_002057 COC1CC2C(C(OC2=O)C(=O)O)C(OC)C1OC 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 N12 compound treatment 0.835 0.00653 0.07 0.837 0.0807 0.86 0.6571 0.7603 1408618 TimTec1_002058 CCS(=O)(=O)N(CC(=O)O)c1ccc(OC)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 N13 compound treatment 1.342 0.514 5.32 1.345 0.589 6.29 8.2077 0.9965 1306524 TimTec1_002059 CCOC(=O)CSC1C(=O)Nc2ccccc2N=C1c3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 N14 compound treatment 1.037 0.209 2.16 0.975 0.219 2.34 3.179 0.9992 1728948 TimTec1_002060 CCOC(=O)NC1c2ccccc2Sc3ccc(Cl)cc13 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 N15 compound treatment 0.655 -0.173 -1.8 0.64 -0.116 -1.24 -2.1493 -0.9838 1597862 TimTec1_002061 Oc1ccc(=O)n(CNc2nccs2)n1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 N16 compound treatment 0.945 0.117 1.21 0.884 0.128 1.36 1.8178 0.9981 3209763 TimTec1_002062 COc1ccc(cc1)c2n[nH]c(SCC(=O)N(C3CCCCC3)C4CCCCC4)n2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 N17 compound treatment 1.402 0.574 5.94 1.38 0.624 6.66 8.9115 0.9984 3209764 TimTec1_002063 Cc1ccc(cc1)C2=CC(SC(=N)N2)c3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 N18 compound treatment 1.185 0.357 3.69 1.169 0.413 4.41 5.7284 0.9961 3083579 TimTec1_002064 Fc1ccc(CSc2ccccc2C(=O)NCc3ccco3)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 N19 compound treatment 0.849 0.0205 0.21 0.824 0.0677 0.72 0.6615 0.8779 3209765 TimTec1_002065 NC1=Nn2c(nnc2SC3(C1C#N)C(=O)Nc4ccccc43)C(F)(F)F 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 N20 compound treatment 0.616 -0.212 -2.2 0.562 -0.194 -2.08 -3.0241 -0.9996 1495217 TimTec1_002066 CC(=C)CC1NC2CC(C)(C)C1c3ccccc23 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 N21 compound treatment 1.17 0.342 3.54 1.135 0.379 4.05 5.3617 0.9978 1163918 TimTec1_002067 COc1ccc(c(O)c1)c2nc(N)ncc2c3cscn3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 N22 compound treatment 1.226 0.398 4.12 1.2 0.444 4.74 6.2628 0.9975 1657100 TimTec1_002068 CCN(CC)S(=O)(=O)c1ccc(NC(=O)COc2ccc(Cl)cc2Cl)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 N23 mock treatment 0.891 0.0625 0.65 0.817 0.0607 0.65 0.9162 1.0 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 N24 mock treatment 0.845 0.0165 0.17 0.75 -0.00634 -0.07 0.0731 0.3972 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 O01 compound treatment 0.042 -0.786 -8.15 0.042 -0.714 -7.63 -11.156 -0.9995 3083580 TimTec1_002069 OC(=O)[C@@H]1CSC(N1)c2coc3ccccc3c2=O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 O02 compound treatment 0.983 0.155 1.6 0.895 0.139 1.48 2.1792 0.9993 3209766 TimTec1_002070 Cc1ccc(cc1)/C(=N\C#N)/NCc2ccccc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 O03 compound treatment 1.293 0.465 4.81 1.254 0.498 5.32 7.1614 0.9988 3083581 TimTec1_002071 CCOC(=O)Nc1ccc(C)s1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 O04 compound treatment 1.158 0.33 3.41 1.116 0.36 3.84 5.1303 0.9983 3209767 TimTec1_002072 O=C(NCc1ccccc1)/C=C/c2ccc(C#N)cc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 O05 compound treatment 0.898 0.0695 0.72 0.855 0.0987 1.05 1.2545 0.9828 1190059 TimTec1_002073 CNC1C2CN3CCC(O2)C13 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 O06 compound treatment 0.483 -0.345 -3.58 0.477 -0.279 -2.98 -4.6403 -0.9959 1479488 TimTec1_002074 Cn1c(Sc2cnn(c3ccccc3)c(=O)c2Br)nnc1c4ccccc4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 O07 compound treatment 0.974 0.146 1.51 0.9 0.144 1.53 2.151 1.0 3487465 TimTec1_002075 OC(=O)COCCN1CCN(CC1)C(c2ccccc2)c3ccc(Cl)cc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 O08 compound treatment 0.986 0.158 1.63 0.961 0.205 2.19 2.6997 0.9896 3083582 TimTec1_002076 CN(C)C(=O)CSc1nnc(c2cccc(F)c2)n1c3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 O09 compound treatment 0.933 0.105 1.08 0.866 0.11 1.17 1.5939 0.9992 1278782 TimTec1_002077 COc1ccc2c3CCN4CC5C(C)OC=C(OC(=O)C)[C@H]5C[C@H]4c3[nH]c2c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 O10 compound treatment 0.055 -0.773 -8.01 0.042 -0.714 -7.63 -11.0608 -0.9997 3083583 TimTec1_002078 O=C(ON1C(=O)CCC1=O)/C=C/c2ccccc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 O11 compound treatment 1.047 0.219 2.26 0.979 0.223 2.38 3.2824 0.9997 1523507 TimTec1_002079 NC(=O)c1sc2nc(ccc2c1N)c3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 O12 compound treatment 0.673 -0.155 -1.61 0.661 -0.0953 -1.02 -1.8588 -0.9756 3083584 TimTec1_002080 CCOC(=O)c1cnc2cccc[n+]2c1Cl 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 O13 compound treatment 0.83 0.00153 0.02 0.765 0.00866 0.09 0.0766 0.8165 1224089 TimTec1_002081 O=C(Nc1cccc(NC(=O)C2CC2)c1)C3CC3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 O14 compound treatment 1.113 0.285 2.95 1.031 0.275 2.93 4.1586 1.0 3083585 TimTec1_002082 Fc1c(F)c(F)c(OCc2ccc(o2)C(=O)N3CCOCC3)c(F)c1F 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 O15 compound treatment 0.922 0.0935 0.97 0.876 0.12 1.28 1.5889 0.9906 1612278 TimTec1_002083 CC(=O)Nc1nonc1NC(=O)c2ccc(C)cc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 O16 compound treatment 1.289 0.461 4.77 1.276 0.52 5.55 7.2983 0.9971 1443254 TimTec1_002084 Clc1ccc(OCc2ccc(o2)C(=O)NCc3cccc(Cl)c3)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 O17 compound treatment 0.925 0.0965 1.0 0.885 0.129 1.37 1.6788 0.9878 1195533 TimTec1_002085 CC(=O)OCC(=O)Nc1ccccc1C#N 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 O18 compound treatment 0.921 0.0925 0.96 0.874 0.118 1.26 1.5665 0.991 1402999 TimTec1_002086 Cc1ccc(NC(=O)c2ccc(CSc3ccccn3)cc2)c(C)c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 O19 compound treatment 0.884 0.0555 0.58 0.81 0.0537 0.57 0.812 1.0 1194370 TimTec1_002087 C=CCON1C(N(CC1=O)C(=O)Nc2ccccc2)c3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 O20 compound treatment 0.707 -0.121 -1.26 0.571 -0.185 -1.98 -2.2897 -0.976 3209769 TimTec1_002088 COc1ccc(Sc2cccs2)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 O21 compound treatment 0.912 0.0835 0.87 0.877 0.121 1.29 1.5232 0.9812 3209770 TimTec1_002089 COc1ccc(CC(C)(N)C(=O)O)cc1OC 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 O22 compound treatment 0.715 -0.113 -1.18 0.835 0.0787 0.84 -0.2368 -0.1639 3083586 TimTec1_002090 C=CCNC(=S)C(=O)Nc1ccccc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 O23 mock treatment 0.819 -0.00947 -0.1 0.712 -0.0443 -0.47 -0.4043 -0.8358 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 O24 mock treatment 0.849 0.0205 0.21 0.771 0.0147 0.16 0.2611 0.9887 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 P01 compound treatment 1.202 0.374 3.87 1.197 0.441 4.71 6.0644 0.9952 3083588 TimTec1_002091 Fc1ccc(SCSc2ccccc2)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 P02 compound treatment 0.13 -0.698 -7.23 0.147 -0.609 -6.51 -9.7184 -0.9986 3209771 TimTec1_002092 COc1cc(cc(OC)c1OC)C(=O)Sc2ccc(Cl)cc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 P03 compound treatment 1.028 0.2 2.07 0.953 0.197 2.1 2.9469 1.0 1455929 TimTec1_002093 Clc1ccc(OCC(=O)N2CCCC2)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 P04 compound treatment 0.98 0.152 1.57 0.839 0.0827 0.88 1.7341 0.963 3209887 TimTec1_002094 Cc1ccccc1C(C#N)C(CC#N)c2ccccc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 P05 compound treatment 0.525 -0.303 -3.14 0.588 -0.168 -1.8 -3.4942 -0.9649 3209888 TimTec1_002095 NS(=O)(=O)c1ccc(/N=C/c2ccc(C#N)cc2)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 P06 compound treatment 0.978 0.15 1.55 0.924 0.168 1.79 2.3616 0.9974 1275062 TimTec1_002096 OC(=O)C1(CC2CC3C1)CC(C2)(C3)n4cnc(Cl)n4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 P07 compound treatment 1.022 0.194 2.0 1.009 0.253 2.7 3.326 0.9893 3209889 TimTec1_002097 C/C(=N\n1c(n[nH]c1=O)c2ccccc2)/c3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 P08 compound treatment 1.269 0.441 4.56 1.233 0.477 5.09 6.827 0.9985 3209890 TimTec1_002098 CC(=O)N1c2ccccc2CCc3ccc(NC(=S)NC(=O)/C=C/c4ccccc4)cc13 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 P09 compound treatment 0.833 0.00453 0.05 0.793 0.0367 0.39 0.3101 0.7862 1360532 TimTec1_002099 O=C(C1CCCNC1=O)N2CCCCC2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 P10 compound treatment 0.101 -0.727 -7.53 0.099 -0.657 -7.02 -10.2934 -0.9994 3083595 TimTec1_002100 Cc1nnc(SCc2c(C)cc(C)cc2C)s1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 P11 compound treatment 0.111 -0.717 -7.43 0.091 -0.665 -7.11 -10.2806 -0.9998 1439208 TimTec1_002101 CC(C)C1C(O)C(=O)C2C3CCCC(C)(C)C3CC(OC(=O)C)C2C1=O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 P12 compound treatment 0.9 0.0715 0.74 0.849 0.0927 0.99 1.2238 0.9898 1739919 TimTec1_002102 COc1ccc(NC(=O)Nc2ccc(cc2)N3CCCC3=O)cc1OC 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 P13 compound treatment 1.04 0.212 2.19 0.951 0.195 2.08 3.0196 0.9997 3209891 TimTec1_002103 C/C(=N/c1ccc(cc1)S(=O)(=O)N2CCOCC2)/Nc3ccc(C(=O)O)c(O)c3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 P14 compound treatment 1.191 0.363 3.75 1.196 0.44 4.7 5.9763 0.9938 3083596 TimTec1_002104 FC(F)(F)c1cc(NCCC(=O)c2ccccc2)ccc1Cl 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 P15 compound treatment 0.836 0.00753 0.08 0.825 0.0687 0.73 0.5738 0.7779 1614491 TimTec1_002105 Oc1nn(CNc2ccc(F)cc2)c(=O)c3ccccc13 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 P16 compound treatment 0.205 -0.623 -6.46 0.22 -0.536 -5.73 -8.6177 -0.9982 3209892 TimTec1_002106 CC(C)CC1C(=NN(C(=S)c2ccc(C)cc2)C1(C)O)C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 P17 compound treatment 1.102 0.274 2.83 0.956 0.2 2.13 3.5115 0.9902 3209893 TimTec1_002107 OC(=O)c1ccccc1C2SCC(=O)N2NC(=S)Nc3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 P18 compound treatment 1.197 0.369 3.82 1.15 0.394 4.21 5.6727 0.9988 1488668 TimTec1_002108 CC(C)(C)NC(=O)c1ccccc1SCc2ccc(F)cc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 P19 compound treatment 0.278 -0.55 -5.7 0.225 -0.531 -5.68 -8.0453 -1.0 3209894 TimTec1_002109 CCOC(=O)C1=C(Sc2nnc(n2N=C1N)C(F)(F)F)c3ccc(Cl)cc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 P20 compound treatment 1.451 0.623 6.45 1.454 0.698 7.45 9.8294 0.9974 1730773 TimTec1_002110 CCC(=O)Nc1sc(Cc2ccccc2)c(C)c1C(=O)OC 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 P21 compound treatment 0.823 -0.00547 -0.06 0.811 0.0547 0.58 0.3728 0.6355 1494523 TimTec1_002111 COc1cc(cc(OC)c1OC)C(=O)n2c(SCc3ccc(F)cc3)nc4ccccc24 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 P22 compound treatment 1.215 0.387 4.0 1.153 0.397 4.24 5.8272 0.9996 3209895 TimTec1_002112 COC(=O)c1c(NC(=O)Nc2ccccc2)sc3CCCCc13 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 P23 mock treatment 0.836 0.00753 0.08 0.762 0.00566 0.06 0.0979 0.992 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2068 P24 mock treatment 0.775 -0.0535 -0.55 0.711 -0.0453 -0.48 -0.7341 -0.9978 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 A01 compound treatment 0.553 -0.164 -1.7 0.645 -0.0844 -0.9 -1.8365 -0.9563 1161050 TimTec1_002113 COc1cccc(c1)C2C(=C(N)Oc3[nH]c(=O)[nH]c(=O)c23)C#N 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 A02 compound treatment 0.903 0.186 1.93 0.894 0.165 1.76 2.6078 0.9989 3083648 TimTec1_002114 COc1ccccc1NC(=O)c2cccc(c2)N3C(=O)C4CC=CCC4C3=O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 A03 compound treatment 0.092 -0.625 -6.47 0.058 -0.671 -7.17 -9.647 -0.9987 3209896 TimTec1_002115 COC(=O)c1ccc(NC(=S)N(C(C)C)C(C)C)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 A04 compound treatment 0.643 -0.0737 -0.76 0.731 0.00161 0.02 -0.5277 -0.691 3083650 TimTec1_002116 Fc1ccccc1OC(=O)CCCC(=O)n2nnc3ccccc23 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 A05 compound treatment 0.175 -0.542 -5.61 0.177 -0.552 -5.9 -8.1402 -0.9997 3209897 TimTec1_002117 C(Nc1ccc(NCc2cccs2)cc1)c3cccs3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 A06 compound treatment 1.277 0.56 5.8 1.193 0.464 4.95 7.6055 0.9969 3083652 TimTec1_002118 CCN(CC)C(=S)NC1CCCCC1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 A07 compound treatment 0.695 -0.0217 -0.22 0.749 0.0196 0.21 -0.0109 -0.0355 3209898 TimTec1_002119 Cn1c(=O)c(C/2=NNC(=O)\C2=C/C=C/c3ccccc3)c(O)c4ccccc14 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 A08 compound treatment 0.36 -0.357 -3.69 0.52 -0.209 -2.24 -4.1942 -0.9711 1389733 TimTec1_002120 OC1(CCCCC1)c2cc(=N)sc3nc4ccccc4n23 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 A09 compound treatment 0.326 -0.391 -4.05 0.474 -0.255 -2.73 -4.7907 -0.9816 3209899 TimTec1_002121 Cn1c(SCc2ccccc2)nc3ccccc13 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 A10 compound treatment 0.159 -0.558 -5.78 0.056 -0.673 -7.19 -9.1714 -0.9941 3209900 TimTec1_002122 CN1C(=O)C(=Cc2ccc(o2)c3cccc(Cl)c3)C(=O)N(C)C1=S 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 A11 compound treatment 0.668 -0.0487 -0.5 0.729 -3.87E-4 0.0 -0.3597 -0.7129 3083655 TimTec1_002123 CC(Sc1nnnn1c2ccccc2)C(=O)O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 A12 compound treatment 1.31 0.593 6.14 1.324 0.595 6.35 8.8368 0.9999 1256717 TimTec1_002124 O=C(Nc1ccc(cc1)S(=O)(=O)N2CCc3ccccc23)c4ccccc4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 A13 compound treatment 1.177 0.46 4.77 1.142 0.413 4.41 6.4879 0.9992 3083658 TimTec1_002125 CCn1c(ccc1c2ccccc2)C(O)C(F)(F)F 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 A14 compound treatment 1.151 0.434 4.5 1.051 0.322 3.44 5.61 0.9912 3209901 TimTec1_002126 CN1/C(=C/C(=S)C(C)(C)C)/Sc2ccccc12 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 A15 compound treatment 1.246 0.529 5.48 1.21 0.481 5.13 7.5069 0.9995 1429079 TimTec1_002127 O=C(CC1CCC1)Nc2ccc(Oc3ccccc3)cc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 A16 compound treatment 0.862 0.145 1.5 0.885 0.156 1.66 2.2395 0.9988 1196328 TimTec1_002128 CC(C)CN(CC(C)C)CN1C(=O)c2ccccc2C1=O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 A17 compound treatment 0.671 -0.0457 -0.47 0.764 0.0346 0.37 -0.0733 -0.1221 3083661 TimTec1_002129 Clc1ccc(CSc2n[nH]c(=O)[nH]c2=O)c(Cl)c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 A18 compound treatment 0.627 -0.0897 -0.93 0.708 -0.0214 -0.23 -0.8186 -0.8555 1702303 TimTec1_002130 COC(=O)C1CCc2sc(N)c(C(=O)OC)c12 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 A19 compound treatment 0.11 -0.607 -6.28 0.116 -0.613 -6.55 -9.077 -0.9998 1553773 TimTec1_002131 Oc1ccccc1CNc2ccc(cc2)C3CCCCC3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 A20 compound treatment 1.163 0.446 4.62 1.131 0.402 4.29 6.3022 0.9993 3083664 TimTec1_002132 CC1CCCCC1NC(=O)c2ccccc2Cl 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 A21 compound treatment 0.916 0.199 2.06 0.895 0.166 1.77 2.7105 0.9971 1072652 TimTec1_002133 O=C(Nc1sc2CCCCc2c1C#N)c3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 A22 compound treatment 0.821 0.104 1.08 0.861 0.132 1.41 1.7579 0.9915 1225174 TimTec1_002134 Clc1ccccc1NC(=O)N(C(CC(=O)C2CC2)c3ccccc3)c4ccccc4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 A23 mock treatment 0.574 -0.143 -1.48 0.664 -0.0654 -0.7 -1.5392 -0.9414 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 A24 mock treatment 0.712 -0.00472 -0.05 0.793 0.0636 0.68 0.446 0.6546 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 B01 compound treatment 0.928 0.211 2.19 0.913 0.184 1.96 2.9344 0.9985 3209902 TimTec1_002135 CCC(C)NC(=O)Nc1ccc(Br)cc1F 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 B02 mock treatment 0.142 -0.575 -5.95 0.136 -0.593 -6.34 -8.6916 -0.9995 1402072 TimTec1_002136 CC(NCc1cccs1)C2(CC3CC4CC(C3)C2)C4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 B03 compound treatment 0.888 0.171 1.77 0.819 0.0896 0.96 1.9313 0.9581 3209903 TimTec1_002137 Cc1ccc(CCNC(=O)NC(C)(C)C)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 B04 compound treatment 1.061 0.344 3.57 0.971 0.242 2.58 4.3466 0.9874 1539581 TimTec1_002138 O=P(Cc1ccccc1)(N(CC2CCCO2)Cc3cccs3)c4ccccc4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 B05 compound treatment 0.831 0.114 1.18 0.742 0.0126 0.13 0.9322 0.7826 3083710 TimTec1_002139 Clc1ccc(NC(=O)c2ccc(CSc3ncccn3)cc2)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 B06 compound treatment 0.987 0.27 2.8 0.895 0.166 1.77 3.2305 0.9755 3209904 TimTec1_002140 O=C1OC2(CCCCC2)C(=C1)NCCOC3(CC4CC5CC(C4)C3)C5 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 B07 compound treatment 1.456 0.739 7.66 1.416 0.687 7.34 10.601 0.9998 3083712 TimTec1_002141 CCOC(=O)c1cc(Br)ccc1OCc2ccccc2Cl 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 B08 compound treatment 0.858 0.141 1.46 0.838 0.109 1.16 1.8552 0.9934 1534717 TimTec1_002142 Nc1nnnn1CC(=O)OCC(=O)Nc2ccccc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 B09 compound treatment 0.816 0.0993 1.03 0.762 0.0326 0.35 0.9735 0.8966 1230328 TimTec1_002143 NNC(=O)c1nnn(c1CN2CCCCC2)c3nonc3N 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 B10 compound treatment 0.795 0.0783 0.81 0.776 0.0466 0.5 0.9254 0.9726 3209905 TimTec1_002144 CCN(CC)C(=O)CSc1nc(N)c(C#N)c(CC(C)C)c1C#N 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 B11 compound treatment 0.935 0.218 2.26 0.806 0.0766 0.82 2.1773 0.9056 1502579 TimTec1_002145 CCC(=O)Nc1cccc(c1)c2nc3ccccc3o2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 B12 compound treatment 0.735 0.0183 0.19 0.779 0.0496 0.53 0.5087 0.9038 3209906 TimTec1_002146 Cc1ccc2[nH]c(=O)c(/C=N/C(CO)(CO)CO)c(O)c2c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 B13 compound treatment 1.061 0.344 3.57 1.039 0.31 3.31 4.8602 0.9993 1455910 TimTec1_002147 O=C(CCc1ccccc1)Nc2ccc(cc2)c3nc4ccccc4o3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 B14 compound treatment 0.08 -0.637 -6.59 0.114 -0.615 -6.57 -9.3118 -1.0 3083716 TimTec1_002148 CC(NC(=S)NC(=O)c1cccs1)C2(CC3CC4CC(C3)C2)C4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 B15 compound treatment 1.093 0.376 3.9 1.113 0.384 4.1 5.6536 0.9997 1725795 TimTec1_002149 CC(C)(C)c1ccccc1OCC(=O)NCc2ccccc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 B16 compound treatment 1.376 0.659 6.83 1.309 0.58 6.19 9.2068 0.9988 3210019 TimTec1_002150 CCC1CC(CNC=C2C(=O)CC(C)(C)CC2=O)C1(C)C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 B17 compound treatment 0.763 0.0463 0.48 0.781 0.0516 0.55 0.7288 0.9976 1148431 TimTec1_002151 CC1CN(CC(C)O1)C(=O)c2cccc(c2)C(=O)N3CC(C)OC(C)C3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 B18 compound treatment 0.765 0.0483 0.5 0.614 -0.115 -1.23 -0.5181 -0.3894 3210020 TimTec1_002152 COc1ccc(CCC(=O)Nc2cccc(C)n2)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 B19 compound treatment 0.774 0.0573 0.59 0.787 0.0576 0.62 0.8547 0.9998 1183356 TimTec1_002153 COC(=O)C(c1ccccc1)C2(O)CC(C)N(C)CC2C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 B20 compound treatment 0.043 -0.674 -6.98 0.042 -0.687 -7.34 -10.1267 -0.9997 3083720 TimTec1_002154 Cc1cc(O)ccc1Sc2ccc(O)cc2C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 B21 compound treatment 0.133 -0.584 -6.05 0.134 -0.595 -6.36 -8.7726 -0.9997 3210021 TimTec1_002155 CC(C)C1N2C(=S)NC(C)(C)CC2(C)OC1=O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 B22 compound treatment 0.944 0.227 2.35 0.916 0.187 1.99 3.0742 0.9966 1240094 TimTec1_002156 COc1ccccc1C(=O)Nc2ccc(CC#N)cc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 B23 mock treatment 0.743 0.0263 0.27 0.739 0.00961 0.1 0.2651 0.9112 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 B24 mock treatment 0.729 0.0123 0.13 0.736 0.00661 0.07 0.1399 0.9615 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 C01 compound treatment 0.806 0.0893 0.92 0.798 0.0686 0.73 1.1722 0.9934 3210022 TimTec1_002157 OCCNC(=O)c1cccc(c1)C(=O)NCCO 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 C02 compound treatment 1.094 0.377 3.91 1.194 0.465 4.96 6.2728 0.993 3210023 TimTec1_002158 Cn1nccc1Nc2ccc(OC(=O)c3ccnn3C)cc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 C03 compound treatment 1.195 0.478 4.95 1.074 0.345 3.68 6.106 0.9893 3083722 TimTec1_002159 COC(=O)c1ccc(NC(=S)N(CC(C)C)CC(C)C)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 C04 compound treatment 0.956 0.239 2.48 1.012 0.283 3.02 3.8873 0.9952 3210024 TimTec1_002160 Cc1ccc(OC(=O)c2ccccc2)c(c1)C(C)(C)C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 C05 compound treatment 1.055 0.338 3.5 0.966 0.237 2.53 4.2648 0.9872 3083724 TimTec1_002161 OC(=O)CC(Sc1cccs1)C(=O)O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 C06 compound treatment 1.057 0.34 3.52 1.042 0.313 3.34 4.8536 0.9996 1038092 TimTec1_002162 Cc1ccc(O)c(c1)C(C)(C)C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 C07 compound treatment 0.952 0.235 2.44 0.927 0.198 2.11 3.2159 0.9974 1602769 TimTec1_002163 Cc1ccc(cc1)c2nn(C3OC(CO)C(O)C3O)c(=S)o2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 C08 compound treatment 1.03 0.313 3.24 1.044 0.315 3.36 4.671 0.9998 1372480 TimTec1_002164 OC1CC(N(C1)C(=O)Oc2ccccc2)C(=O)OCC(=O)c3ccc(cc3)c4ccccc4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 C09 compound treatment 0.873 0.156 1.62 0.842 0.113 1.2 1.9952 0.9893 3083763 TimTec1_002165 Clc1ccc(cc1Cl)N2NC(=O)/C(=C/C=C/c3ccccc3)/C2=O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 C10 compound treatment 0.82 0.103 1.07 0.801 0.0716 0.77 1.2974 0.9865 3083765 TimTec1_002166 CC1(C)CC(=O)C/C(=N\c2ccc3[nH]c(=O)[nH]c3c2)/C1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 C11 compound treatment 0.757 0.0403 0.42 0.764 0.0346 0.37 0.5565 0.9982 3210025 TimTec1_002167 CNC(=O)c1cccc(NC(=S)NC)c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 C12 compound treatment 0.852 0.135 1.4 0.797 0.0676 0.72 1.5015 0.9525 3210026 TimTec1_002168 Clc1ccccc1C(=O)Oc2ccc3ccccc3c2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 C13 compound treatment 0.676 -0.0407 -0.42 0.625 -0.104 -1.12 -1.0868 -0.9115 1014674 TimTec1_002169 OC(=O)c1ccc([nH]1)c2ccccc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 C14 compound treatment 1.098 0.381 3.95 1.064 0.335 3.57 5.3201 0.9988 1322060 TimTec1_002170 COc1ccccc1C(=O)Nc2ccc(C)cc2C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 C15 compound treatment 0.048 -0.669 -6.93 0.052 -0.677 -7.24 -10.0145 -0.9998 3083771 TimTec1_002171 COC(=O)c1ccccc1/N=C/C=C(/O)\c2ccc(Br)cc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 C16 compound treatment 1.085 0.368 3.81 1.089 0.36 3.84 5.4137 1.0 1430542 TimTec1_002172 CC(C)c1ccccc1NC(=O)c2cc3ccccc3o2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 C17 compound treatment 0.724 0.00728 0.08 0.762 0.0326 0.35 0.2997 0.8407 1190438 TimTec1_002173 OC(=O)c1ccc(CNC(=O)c2cocc2C(=O)O)o1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 C18 compound treatment 0.669 -0.0477 -0.49 0.736 0.00661 0.07 -0.2995 -0.5999 1645535 TimTec1_002174 Cc1ccccc1NC(=O)Nc2ccc(OCc3ccccc3)cc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 C19 compound treatment 1.363 0.646 6.69 1.345 0.616 6.58 9.3835 1.0 3210027 TimTec1_002175 Clc1ccc(cc1)C2CC(=NN2c3ccccc3)C4CC4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 C20 compound treatment 0.693 -0.0237 -0.25 0.66 -0.0694 -0.74 -0.6979 -0.8936 1618185 TimTec1_002176 Cc1ccc(cc1)c2ccc(OCC(=O)NC3CCCC3)cc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 C21 compound treatment 0.635 -0.0817 -0.85 0.651 -0.0784 -0.84 -1.1906 -1.0 1272849 TimTec1_002177 OC(=O)CCc1nc2ccccc2nc1O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 C22 compound treatment 0.577 -0.14 -1.45 0.622 -0.107 -1.15 -1.8345 -0.9934 3210028 TimTec1_002178 C(Oc1ccc(/C=N/n2nnnc2Nc3ccccc3)cc1)c4ccccc4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 C23 mock treatment 0.647 -0.0697 -0.72 0.725 -0.00439 -0.05 -0.5437 -0.7514 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 C24 mock treatment 0.764 0.0473 0.49 0.733 0.00361 0.04 0.3736 0.7605 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 D01 compound treatment 1.002 0.285 2.95 1.02 0.291 3.1 4.2846 0.9997 1308579 TimTec1_002179 COc1ccc(CCNC(=O)Nc2ccc(Cl)cc2)cc1OC 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 D02 compound treatment 1.071 0.354 3.67 1.038 0.309 3.3 4.9259 0.9986 3083776 TimTec1_002180 CCSc1nnc(C)c2ccccc12 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 D03 compound treatment 1.105 0.388 4.02 0.959 0.23 2.45 4.5781 0.9719 3210029 TimTec1_002181 Fc1ccccc1NC(=O)CCCCc2cccs2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 D04 compound treatment 0.961 0.244 2.53 0.917 0.188 2.0 3.2063 0.9933 1325980 TimTec1_002182 CN1CCN(CC1)C(=S)NC(CC(=O)c2ccccc2)c3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 D05 compound treatment 0.943 0.226 2.34 0.943 0.214 2.28 3.2709 0.9999 3083779 TimTec1_002183 O=C(CSC1=NCCS1)NC(=O)c2ccccc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 D06 compound treatment 0.966 0.249 2.58 0.965 0.236 2.52 3.6055 0.9999 1681619 TimTec1_002184 CC1(C)CC(CC(C)(C)N1)NC(=O)c2ccc(cc2)n3cnnn3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 D07 compound treatment 0.369 -0.348 -3.6 0.456 -0.273 -2.92 -4.6118 -0.9946 3083781 TimTec1_002185 COC(=O)c1ccc(CSc2nccn2C)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 D08 compound treatment 0.521 -0.196 -2.03 0.584 -0.145 -1.55 -2.5316 -0.9914 1532072 TimTec1_002186 CCN(CC)CCN1C(=O)Cn2c(C)c(C)c3cccc1c23 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 D09 compound treatment 1.056 0.339 3.51 0.933 0.204 2.18 4.0229 0.9734 3083783 TimTec1_002187 Clc1ccc(/C=C/C(=O)NCC2CCCO2)c(Cl)c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 D10 compound treatment 0.784 0.0673 0.7 0.783 0.0536 0.57 0.8977 0.9953 1189768 TimTec1_002188 CCCc1cc(O)nc(SCC(=O)NCC2(CC3CC4CC(C3)C2)C4)n1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 D11 compound treatment 0.898 0.181 1.88 0.84 0.111 1.18 2.1632 0.9751 1607604 TimTec1_002189 CCC(=O)Nc1cc2ccccc2cc1NC(=O)CC 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 D12 compound treatment 0.945 0.228 2.36 0.929 0.2 2.13 3.1797 0.9987 1415304 TimTec1_002190 O=C(CC(C1C(=O)NC(=S)NC1=O)c2ccccc2)c3cccs3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 D13 compound treatment 0.854 0.137 1.42 0.844 0.115 1.22 1.8712 0.9972 3083786 TimTec1_002191 Cn1c(SCC(=O)NN)nnc1c2ccccc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 D14 compound treatment 0.853 0.136 1.41 0.836 0.107 1.14 1.8034 0.9943 1536582 TimTec1_002192 CC(=O)OC(OC(=O)C)C1(OC2C=C1)C3C2C(=O)N(C3=O)c4ccc(OC(=O)C)cc4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 D15 compound treatment 0.997 0.28 2.9 0.942 0.213 2.27 3.6588 0.9926 3083820 TimTec1_002193 FC(F)(F)Oc1ccc(NC(=O)CSc2nc3ccccc3[nH]2)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 D16 compound treatment 0.797 0.0803 0.83 0.806 0.0766 0.82 1.1667 1.0 3210030 TimTec1_002194 COc1ccc(cc1)C(CC(=O)O)NC(=O)Cc2ccccc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 D17 compound treatment 0.972 0.255 2.64 0.939 0.21 2.24 3.453 0.9966 1372790 TimTec1_002195 Cc1cccc(N2CCN(CC2)C(=O)CN3C(=O)c4ccccc4C3=O)c1C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 D18 compound treatment 1.063 0.346 3.59 1.106 0.377 4.02 5.381 0.9984 3210031 TimTec1_002196 COc1ccc(Cl)c(c1)C(=O)OCC(=O)Nc2ccc(F)cc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 D19 compound treatment 0.577 -0.14 -1.45 0.654 -0.0754 -0.81 -1.5927 -0.9617 1594222 TimTec1_002197 CCC(=O)OC1(Cc2ccc(CC)cc2)CC(C)N(C)CC1C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 D20 compound treatment 0.541 -0.176 -1.82 0.687 -0.0424 -0.45 -1.6071 -0.8569 3083824 TimTec1_002198 S=C(NC1CCCCC1)NN2CCOCC2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 D21 compound treatment 0.39 -0.327 -3.38 0.495 -0.234 -2.5 -4.1633 -0.989 1669241 TimTec1_002199 CC1(O)N(CC(=O)O)C(=O)OC21CCCCC2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 D22 compound treatment 0.537 -0.18 -1.86 0.629 -0.1 -1.07 -2.0745 -0.9657 1421950 TimTec1_002200 Nc1ccc(CC(CCC(=O)O)C(=O)O)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 D23 mock treatment 0.706 -0.0107 -0.11 0.738 0.00861 0.09 -0.0134 -0.0932 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 D24 mock treatment 0.729 0.0123 0.13 0.695 -0.0344 -0.37 -0.1698 -0.4368 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 E01 compound treatment 0.872 0.155 1.61 0.845 0.116 1.24 2.0106 0.9915 1882539 TimTec1_002201 CCCNC(=O)c1ccccc1N 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 E02 compound treatment 1.264 0.547 5.67 1.345 0.616 6.58 8.6585 0.9973 1476398 TimTec1_002202 Fc1ccccc1OC(=O)CCCC(=O)Nc2cccc3ccccc23 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 E03 compound treatment 0.989 0.272 2.82 0.932 0.203 2.16 3.5246 0.9915 3083828 TimTec1_002203 COC(=O)c1ccc(NC(=O)C)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 E04 compound treatment 0.681 -0.0357 -0.37 0.677 -0.0524 -0.56 -0.6573 -0.9798 3210032 TimTec1_002204 CC(C)(C)c1cc(Cl)cc(c1)C(=O)c2ccccc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 E05 compound treatment 0.937 0.22 2.28 0.897 0.168 1.79 2.8794 0.9928 1345007 TimTec1_002205 COc1ccc(OC)c(c1)S(=O)(=O)c2c(OC)ccc(OC)c2C(=O)O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 E06 compound treatment 0.131 -0.586 -6.07 0.138 -0.591 -6.32 -8.757 -0.9998 1083599 TimTec1_002206 C1CCN(CC1)SN2CCCCC2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 E07 compound treatment 1.014 0.297 3.08 0.99 0.261 2.78 4.1459 0.9987 3083830 TimTec1_002207 Nc1nnc(CSc2cccc3cccnc23)o1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 E08 compound treatment 0.868 0.151 1.57 0.861 0.132 1.41 2.1021 0.9985 1510605 TimTec1_002208 COC(=O)Nc1c(C)n(C)n(c2ccccc2)c1=O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 E09 compound treatment 0.047 -0.67 -6.94 0.047 -0.682 -7.29 -10.0596 -0.9997 3210148 TimTec1_002209 Brc1cccc(c1)N2NC(=O)/C(=C/3\C(=O)Nc4ccccc34)/C2=O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 E10 compound treatment 0.912 0.195 2.02 0.892 0.163 1.74 2.6586 0.9971 1411763 TimTec1_002210 CCCc1cc(=O)nc(SCc2nc3ccccc3[nH]2)[nH]1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 E11 compound treatment 0.449 -0.268 -2.77 0.522 -0.207 -2.22 -3.5273 -0.9938 3210149 TimTec1_002211 OCCN(CCO)CC(O)C1(CC2CC3CC(C2)C1)C3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 E12 compound treatment 1.276 0.559 5.79 1.24 0.511 5.46 7.9532 0.9996 1920607 TimTec1_002212 CC(C)CN(CC(C)C)C(=O)Nc1ccccc1C(F)(F)F 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 E13 compound treatment 0.897 0.18 1.87 0.863 0.134 1.43 2.3296 0.9912 1527966 TimTec1_002213 Cc1cc(C)cc(OCc2ccc(o2)C(=O)NN)c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 E14 compound treatment 0.295 -0.422 -4.37 0.313 -0.416 -4.45 -6.234 -1.0 1183896 TimTec1_002214 CN(Cc1c(C)nc2c(C)cc(C)cc2c1O)C3CCCCC3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 E15 compound treatment 0.752 0.0353 0.37 0.763 0.0336 0.36 0.5123 1.0 3083835 TimTec1_002215 CC1(C)CC(CC(C)(C)N1)/N=C/c2ccccc2O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 E16 compound treatment 0.723 0.00628 0.07 0.753 0.0236 0.25 0.2244 0.8613 1259208 TimTec1_002216 CC(C)CN(CC(C)C)C(=O)COc1ccc(cc1)C(C)(C)C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 E17 compound treatment 0.551 -0.166 -1.72 0.633 -0.0964 -1.03 -1.9418 -0.9701 1657881 TimTec1_002217 COc1cc2CCN3CC(CC(C)C)C(=O)CC3c2cc1OC 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 E18 compound treatment 0.113 -0.604 -6.25 0.124 -0.605 -6.47 -8.9946 -0.9999 1561850 TimTec1_002218 O=C(Nc1ccc(cc1)C(=O)OC2CCCCC2)c3ccncc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 E19 compound treatment 0.371 -0.346 -3.58 0.523 -0.206 -2.2 -4.091 -0.9729 3210150 TimTec1_002219 COc1ccc(/C=C\2/SC(=S)N(CCC(=O)O)C2=O)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 E20 compound treatment 0.097 -0.62 -6.42 0.166 -0.563 -6.02 -8.7945 -0.9995 1395502 TimTec1_002220 O=C(CCc1ccccc1)Nc2ccc(cc2)C(=O)OC3CCCCC3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 E21 compound treatment 0.153 -0.564 -5.84 0.195 -0.534 -5.71 -8.1653 -0.9999 3210151 TimTec1_002221 OC(=O)CCCNc1ncnc2ccc(Br)cc12 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 E22 compound treatment 0.288 -0.429 -4.44 0.255 -0.474 -5.07 -6.7234 -0.9978 1511409 TimTec1_002222 O=C1NC(=O)C(CCc2ccncc2)(CCc3ccncc3)C(=O)N1Cc4ccccc4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 E23 mock treatment 0.579 -0.138 -1.43 0.537 -0.192 -2.06 -2.4619 -0.9841 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 E24 mock treatment 0.746 0.0293 0.3 0.667 -0.0624 -0.67 -0.2568 -0.3508 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 F01 compound treatment 0.816 0.0993 1.03 0.851 0.122 1.3 1.6458 0.9933 3083870 TimTec1_002223 Cc1ccc(NC(=O)Nc2ccc(cc2)C(C)(C)C)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 F02 compound treatment 1.213 0.496 5.14 1.142 0.413 4.41 6.7515 0.9971 3210152 TimTec1_002224 NC(=O)c1sc2NC3=C(C(c2c1N)c4ccc(Cl)cc4)C(=O)c5ccccc35 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 F03 compound treatment 1.261 0.544 5.64 1.164 0.435 4.64 7.2692 0.9954 3083874 TimTec1_002225 NC1=C(C#N)C(C(=C(N)O1)C#N)c2cc(Br)cs2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 F04 compound treatment 1.074 0.357 3.7 1.024 0.295 3.15 4.8421 0.9968 1118827 TimTec1_002226 CC(NC(=O)c1ccccc1OCC(=O)NC2(CC3CC4CC(C3)C2)C4)c5ccccc5 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 F05 compound treatment 0.985 0.268 2.78 0.955 0.226 2.41 3.6691 0.9975 3083876 TimTec1_002227 O=C(COc1ccccc1)N2CCNC2=O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 F06 compound treatment 0.967 0.25 2.59 0.916 0.187 1.99 3.2427 0.9916 1468407 TimTec1_002228 NS(=O)(=O)c1ccc(NC(=O)CSc2nnc(c3ccco3)n2CC=C)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 F07 compound treatment 0.071 -0.646 -6.69 0.078 -0.651 -6.96 -9.6497 -0.9998 3083878 TimTec1_002229 COC(=O)c1ccc(COc2ccccc2Br)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 F08 compound treatment 1.302 0.585 6.06 1.273 0.544 5.81 8.3929 0.9998 3210153 TimTec1_002230 Nc1cc(=O)[nH]c(=O)n1CC2(CC3CC4CC(C3)C2)C4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 F09 compound treatment 1.225 0.508 5.26 1.165 0.436 4.65 7.0131 0.9981 3083880 TimTec1_002231 O=C(NC1CCCCCC1)C2CC2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 F10 compound treatment 1.126 0.409 4.24 1.129 0.4 4.27 6.0161 1.0 1289043 TimTec1_002232 O=C(CSc1nc2ccccc2s1)NCCC3(CC4CC5CC(C4)C3)C5 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 F11 compound treatment 0.949 0.232 2.41 0.976 0.247 2.63 3.5641 0.999 1333172 TimTec1_002233 Brc1ccc(cc1)C(=O)Nc2cccc(c2)c3nc4ccccc4o3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 F12 compound treatment 0.793 0.0763 0.79 0.807 0.0776 0.83 1.145 0.9997 1335464 TimTec1_002234 CCn1ccnc1P(=O)(N2CCOCC2)c3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 F13 compound treatment 0.955 0.238 2.47 0.965 0.236 2.52 3.5249 1.0 3083883 TimTec1_002235 CCN(CC)/C=C/1\SC(=S)N(C1=O)c2ccc(OC)cc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 F14 compound treatment 1.109 0.392 4.06 1.046 0.317 3.38 5.2646 0.9959 3210154 TimTec1_002236 COc1cc(/C=c/2\sc3=NN=C(C(c4ccccc4)n3\c2=N\CCO)c5ccccc5)ccc1O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 F15 compound treatment 1.061 0.344 3.57 1.038 0.309 3.3 4.8527 0.9992 3083885 TimTec1_002237 COc1ccc(NC(=O)CCCOc2ccccc2)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 F16 compound treatment 0.753 0.0363 0.38 0.785 0.0556 0.59 0.6858 0.9756 3210155 TimTec1_002238 O=C(C(c1ccccc1)c2ccccc2)N3CCNC3=O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 F17 compound treatment 0.077 -0.64 -6.63 0.07 -0.659 -7.04 -9.6662 -0.9995 3210156 TimTec1_002239 Oc1ccc2ccccc2c1/C=N/c3ccc(cc3)S(=O)(=O)N4CCCCC4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 F18 compound treatment 0.074 -0.643 -6.66 0.084 -0.645 -6.89 -9.5824 -0.9998 3083888 TimTec1_002240 CC(C)(C)c1ccc(cc1)C(=O)n2cc(Cl)cn2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 F19 compound treatment 0.108 -0.609 -6.3 0.23 -0.499 -5.34 -8.2305 -0.9965 3210157 TimTec1_002241 Cc1sc(C)c(CNc2ccccc2)c1CNc3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 F20 compound treatment 0.039 -0.678 -7.02 0.04 -0.689 -7.36 -10.1711 -0.9997 3083890 TimTec1_002242 C/C=C/C(=O)c1cc(Cl)ccc1O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 F21 compound treatment 0.07 -0.647 -6.7 0.092 -0.637 -6.81 -9.5512 -1.0 3083891 TimTec1_002243 CC(C)c1c(C#N)c(N)nc(SCC(=O)N)c1C#N 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 F22 compound treatment 1.12 0.403 4.18 1.128 0.399 4.26 5.9647 1.0 3210158 TimTec1_002244 CC(C)c1nc2c(Br)cc(Br)cc2c(=S)[nH]1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 F23 mock treatment 0.633 -0.0837 -0.87 0.673 -0.0564 -0.6 -1.0391 -0.9842 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 F24 mock treatment 0.731 0.0143 0.15 0.651 -0.0784 -0.84 -0.4876 -0.5733 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 G01 compound treatment 0.823 0.106 1.1 0.812 0.0826 0.88 1.4024 0.994 3210159 TimTec1_002245 O=C(Nc1ccccc1)Nc2ccccc2C(=O)N3CCOCC3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 G02 compound treatment 0.739 0.0223 0.23 0.842 0.113 1.2 1.0139 0.8277 3083894 TimTec1_002246 CC1CCC(CC1)OC(=O)CCC(=O)Nc2ccc(Br)cc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 G03 compound treatment 0.796 0.0793 0.82 0.838 0.109 1.16 1.4011 0.9857 1604712 TimTec1_002247 CNC(=O)Nc1ccc(cc1)C(=O)OC 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 G04 compound treatment 0.798 0.0813 0.84 0.884 0.155 1.65 1.7632 0.9511 3083896 TimTec1_002248 CC(C)Nc1ccc(cc1)n2nc3ccccc3[n+]2[O-] 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 G05 compound treatment 0.663 -0.0537 -0.56 0.618 -0.111 -1.19 -1.2349 -0.94 3210160 TimTec1_002249 COc1ccc2nc(sc2c1)/C(=N/O)/N 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 G06 compound treatment 0.851 0.134 1.39 0.677 -0.0524 -0.56 0.5877 0.392 3083961 TimTec1_002250 CC(C)(C)c1ccc(O)c(c1)C(=O)Oc2ccccc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 G07 compound treatment 1.092 0.375 3.89 1.149 0.42 4.48 5.9182 0.9975 1508878 TimTec1_002251 Cc1ccc(cc1C)C(=O)COC(=O)C2C(C3CC2C=C3)C(=O)OCC(=O)c4ccc(C)c(C)c4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 G08 compound treatment 0.142 -0.575 -5.95 0.151 -0.578 -6.18 -8.5782 -0.9998 1208353 TimTec1_002252 N#Cc1nc(oc1NCCN2CCCCC2)c3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 G09 compound treatment 1.432 0.715 7.41 1.43 0.701 7.48 10.531 1.0 3210161 TimTec1_002253 CCOc1ccc(/C=C/2\NC(=S)NC2=O)cc1OC 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 G10 compound treatment 0.872 0.155 1.61 0.907 0.178 1.9 2.4789 0.9966 3083965 TimTec1_002254 O=c/1[nH]\c(=C\c2ccco2)\c(=O)[nH]\c1=C/c3ccco3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 G11 compound treatment 0.809 0.0923 0.96 0.854 0.125 1.33 1.6172 0.9868 3210162 TimTec1_002255 CCOC(=O)C1=C(C)OC2=C(C1c3ccc(CC)s3)C(=O)CC(C)(C)C2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 G12 compound treatment 0.849 0.132 1.37 0.866 0.137 1.46 2.0008 0.9995 1549435 TimTec1_002256 OC(=O)CNc1nc(nc2ccccc12)c3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 G13 compound treatment 1.074 0.357 3.7 1.026 0.297 3.17 4.8572 0.997 3210163 TimTec1_002257 Cc1cc(nc2cc(nn12)C(=O)Nc3ccccc3C(F)(F)F)c4ccc(F)cc4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 G14 compound treatment 1.343 0.626 6.49 1.333 0.604 6.45 9.1464 1.0 3083968 TimTec1_002258 Brc1ccc2ncn(CC=C)c(=O)c2c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 G15 compound treatment 0.056 -0.661 -6.84 0.055 -0.674 -7.2 -9.9333 -0.9997 3210164 TimTec1_002259 O/C(=C/C=N/Cc1ccccc1)/c2ccc(Br)cc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 G16 compound treatment 0.193 -0.524 -5.42 0.22 -0.509 -5.44 -7.6835 -1.0 3083970 TimTec1_002260 CCc1ccc(OCCCC(=O)Nc2nnc[nH]2)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 G17 compound treatment 0.692 -0.0247 -0.26 0.785 0.0556 0.59 0.2391 0.3696 1157670 TimTec1_002261 Fc1ccc(cc1)C(=O)CNc2ccc3c(c2)oc4ccccc43 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 G18 compound treatment 0.494 -0.223 -2.31 0.576 -0.153 -1.64 -2.7898 -0.986 1710239 TimTec1_002262 CC(C)c1cccc(C)c1NC(=O)c2ccncc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 G19 compound treatment 0.282 -0.435 -4.5 0.55 -0.179 -1.92 -4.5388 -0.9276 3210165 TimTec1_002263 S=C(N/C(=N/c1ccccc1)/c2ccccc2)Nc3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 G20 compound treatment 0.07 -0.647 -6.7 0.161 -0.568 -6.07 -9.03 -0.9988 1693000 TimTec1_002264 CCS(=O)(=O)c1ccc(NC(=O)c2ccccc2)c(O)c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 G21 compound treatment 0.301 -0.416 -4.31 0.424 -0.305 -3.26 -5.3515 -0.9906 1686276 TimTec1_002265 CCOC(=O)c1cnc2c(C)cc(Cl)cc2c1NCc3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 G22 compound treatment 0.417 -0.3 -3.1 0.095 -0.634 -6.78 -6.9873 -0.9373 1208703 TimTec1_002266 CCc1ccc(cc1)C2=CC(C(C#N)C(=O)N2)c3cccc(Br)c3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 G23 mock treatment 0.567 -0.15 -1.55 0.523 -0.206 -2.2 -2.6556 -0.9852 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 G24 mock treatment 0.718 0.00128 0.01 0.753 0.0236 0.25 0.1878 0.7433 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 H01 compound treatment 0.89 0.173 1.79 0.844 0.115 1.22 2.1348 0.9826 3083974 TimTec1_002267 COc1cccc(NC(=O)Nc2nncs2)c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 H02 compound treatment 0.983 0.266 2.76 1.073 0.344 3.67 4.5458 0.9901 3210281 TimTec1_002268 Cc1ccc(NC(=O)COC(=O)CSc2nnc([nH]2)c3ccccc3)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 H03 compound treatment 0.041 -0.676 -7.0 0.044 -0.685 -7.32 -10.1262 -0.9997 3083976 TimTec1_002269 O=c1oc(ns1)c2cc3ccccc3s2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 H04 compound treatment 0.244 -0.473 -4.9 0.708 -0.0214 -0.23 -3.6235 -0.7393 3210282 TimTec1_002270 Cc1ccc2c(nc3s/c(=C\c4ccc(o4)c5ccccc5F)/c(=O)n32)c1C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 H05 compound treatment 1.095 0.378 3.92 1.062 0.333 3.55 5.283 0.9988 3083979 TimTec1_002271 O=C(CSc1ccccn1)NC(=O)c2ccccc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 H06 compound treatment 0.876 0.159 1.65 0.855 0.126 1.34 2.1154 0.9948 1698408 TimTec1_002272 NC(=O)C1C(=NC(=C(C#N)C21CCCCC2)N)SCC(=O)Nc3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 H07 compound treatment 0.924 0.207 2.15 0.9 0.171 1.82 2.8069 0.9967 3083981 TimTec1_002273 COc1ccccc1/C=C/C(=O)Nc2sc3CCCc3c2C(=O)N 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 H08 compound treatment 0.843 0.126 1.31 0.853 0.124 1.32 1.8586 1.0 1633716 TimTec1_002274 CC1CCN(CC1)C(=O)c2scc3CCCCc23 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 H09 compound treatment 0.125 -0.592 -6.13 0.127 -0.602 -6.44 -8.884 -0.9997 1434772 TimTec1_002275 Cc1cccc(NC(=O)c2cccc(Br)c2)n1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 H10 compound treatment 0.375 -0.342 -3.54 0.313 -0.416 -4.45 -5.6481 -0.9936 1459322 TimTec1_002276 COC(=O)c1ccc2CN(Cc2c1)c3ccc(Br)cc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 H11 compound treatment 0.883 0.166 1.72 0.931 0.202 2.15 2.7408 0.9939 1227803 TimTec1_002277 CC(=O)Oc1ccc(cc1)C(C)(C)c2ccc(OC(=O)C)cc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 H12 compound treatment 0.805 0.0883 0.91 0.834 0.105 1.12 1.4368 0.995 1246806 TimTec1_002278 O=C(COc1ccccc1)Nc2ccc(cc2)S(=O)(=O)Nc3ncccn3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 H13 compound treatment 0.814 0.0973 1.01 0.824 0.0946 1.01 1.4272 1.0 3210283 TimTec1_002279 C[C@@H](N1C[C@@H](CO)OC1=O)c2ccccc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 H14 compound treatment 0.128 -0.589 -6.1 0.121 -0.608 -6.5 -8.9074 -0.9995 1334040 TimTec1_002280 OC(=O)CCN1CCn2c3C1CCCc3c4cc(ccc24)C5CCCCC5 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 H15 compound treatment 0.993 0.276 2.86 0.992 0.263 2.81 4.0072 1.0 3084053 TimTec1_002281 CCCNC(=O)N(C)Cc1ccccc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 H16 compound treatment 0.931 0.214 2.22 0.933 0.204 2.18 3.1074 0.9999 1566880 TimTec1_002282 CCOc1ccc(NC(=O)Cc2ccccc2OC)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 H17 compound treatment 0.822 0.105 1.09 0.866 0.137 1.46 1.803 0.9897 1399838 TimTec1_002283 CC(C)N1C(n2oc(=O)n(c3cccc(Cl)c3)c2=O)C(C)(C)SC1=S 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 H18 compound treatment 0.457 -0.26 -2.69 0.52 -0.209 -2.24 -3.4838 -0.9958 3084055 TimTec1_002284 Cc1ccccc1C(=O)n2cc(Cl)cn2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 H19 compound treatment 0.982 0.265 2.75 0.987 0.258 2.75 3.8889 1.0 3210284 TimTec1_002285 CCSc1nnc2n(/N=C/c3cccs3)cnn12 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 H20 compound treatment 0.449 -0.268 -2.77 0.567 -0.162 -1.73 -3.1874 -0.9745 3210285 TimTec1_002286 O=C(CSc1nnc(c2ccccc2)n1c3ccccc3)NC4CC4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 H21 compound treatment 0.58 -0.137 -1.42 0.615 -0.114 -1.22 -1.8654 -0.9973 1379455 TimTec1_002287 NS(=O)(=O)c1ccc(NC(=O)COC(=O)c2cccc(c2)N3C(=O)CCC3=O)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 H22 compound treatment 0.648 -0.0687 -0.71 0.595 -0.134 -1.44 -1.5185 -0.9476 3210286 TimTec1_002288 CC(Sc1ccc(Cl)cc1)C(=O)NCc2ccncc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 H23 mock treatment 0.779 0.0623 0.65 0.716 -0.0134 -0.14 0.355 0.5373 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 H24 mock treatment 0.637 -0.0797 -0.83 0.719 -0.0104 -0.11 -0.6623 -0.795 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 I01 compound treatment 0.738 0.0213 0.22 0.825 0.0956 1.02 0.8781 0.8403 3084057 TimTec1_002289 COC(=O)c1ccc(NC(=S)N2CCOCC2)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 I02 compound treatment 0.683 -0.0337 -0.35 0.818 0.0886 0.95 0.4225 0.4187 3210287 TimTec1_002290 CCOc1ccc(NC(=O)C2CC=CCC2C(=O)OC(C)CC)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 I03 compound treatment 0.532 -0.185 -1.91 0.67 -0.0594 -0.63 -1.8014 -0.8937 1638709 TimTec1_002291 CNC(=O)Nc1ccc(cc1)C(=O)NC 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 I04 compound treatment 0.044 -0.673 -6.97 0.042 -0.687 -7.34 -10.1194 -0.9997 1005018 TimTec1_002292 Oc1ccc(Cl)cc1Sc2cc(Cl)ccc2O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 I05 compound treatment 0.047 -0.67 -6.94 0.048 -0.681 -7.28 -10.0521 -0.9997 3210288 TimTec1_002293 Cc1cccc2c(O)c(/C=C/3\C(NN(C3=O)c4ccccc4)c5ccccc5)c(=O)[nH]c12 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 I06 compound treatment 0.902 0.185 1.92 0.844 0.115 1.22 2.2227 0.9765 1025812 TimTec1_002294 CNC(=O)c1ccc(N)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 I07 compound treatment 0.861 0.144 1.49 0.84 0.111 1.18 1.8922 0.9932 3210289 TimTec1_002295 O=C(Nc1ccc2[nH]c(=O)[nH]c2c1)/C=C/c3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 I08 compound treatment 0.992 0.275 2.85 1.039 0.31 3.31 4.3549 0.9973 1738195 TimTec1_002296 Cc1ccc(cc1)N(C(=O)COc2c(C)cccc2C)S(=O)(=O)c3ccc(Cl)cc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 I09 compound treatment 1.41 0.693 7.18 1.445 0.716 7.65 10.4832 0.9995 3210290 TimTec1_002297 O=C/1NC(=S)S\C1=C\c2ccc(o2)c3ccc4C(=O)NC(=O)c4c3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 I10 compound treatment 0.188 -0.529 -5.48 0.214 -0.515 -5.51 -7.7654 -1.0 3084063 TimTec1_002298 Nc1cc(O)n(n1)c2ccccc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 I11 compound treatment 1.125 0.408 4.23 1.129 0.4 4.27 6.0088 1.0 3210291 TimTec1_002299 CC(=C)C(=O)OCCc1ccc(O)c(c1)n2nc3ccccc3n2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 I12 compound treatment 0.681 -0.0357 -0.37 0.743 0.0136 0.15 -0.1588 -0.3994 1195244 TimTec1_002300 Cc1cc(Nc2ccc(Cl)cc2)c3ccccc3n1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 I13 compound treatment 0.335 -0.382 -3.95 0.441 -0.288 -3.08 -4.9741 -0.9924 3210292 TimTec1_002301 FC(F)(F)c1ccccc1CN2CCN(CC3CC4CC3C=C4)CC2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 I14 compound treatment 0.768 0.0513 0.53 0.836 0.107 1.14 1.1809 0.9397 1020410 TimTec1_002302 Nc1ccc(cc1)N2CCOCC2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 I15 compound treatment 0.836 0.119 1.24 0.871 0.142 1.51 1.9433 0.9949 1667680 TimTec1_002303 CC(Sc1nc(C)c(Oc2ccccc2)c(O)n1)C(=O)O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 I16 compound treatment 0.958 0.241 2.5 0.939 0.21 2.24 3.3505 0.9985 3084067 TimTec1_002304 Cc1ccc(OCc2ccc(Cl)cc2)c(c1)C(C)(C)C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 I17 compound treatment 1.181 0.464 4.81 1.182 0.453 4.84 6.8193 1.0 1430919 TimTec1_002305 Cc1nonc1N(Cc2ccc(F)cc2)S(=O)(=O)c3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 I18 compound treatment 1.227 0.51 5.29 1.141 0.412 4.4 6.8465 0.9958 3210293 TimTec1_002306 O=C(CCCOc1ccccc1)NC2CCCCC2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 I19 compound treatment 1.367 0.65 6.73 1.358 0.629 6.72 9.511 1.0 1603996 TimTec1_002307 N#Cc1nc(oc1N2CCCCC2)c3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 I20 compound treatment 0.996 0.279 2.89 0.965 0.236 2.52 3.8252 0.9976 1030356 TimTec1_002308 O=C(Nc1ccccc1)Nc2cccc3ccccc23 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 I21 compound treatment 0.78 0.0633 0.66 0.752 0.0226 0.24 0.6343 0.908 3210294 TimTec1_002309 CCOC(=O)c1cnc2ccc(OCC)cc2c1NCCCN3CCOCC3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 I22 compound treatment 0.773 0.0563 0.58 0.886 0.157 1.67 1.5953 0.9004 3084138 TimTec1_002310 Cc1cccc(CC2(Cc3cccc(C)c3)C(=O)OC(C)(C)OC2=O)c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 I23 mock treatment 0.582 -0.135 -1.4 0.653 -0.0764 -0.82 -1.5637 -0.9674 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 I24 mock treatment 0.758 0.0413 0.43 0.791 0.0616 0.66 0.7678 0.9782 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 J01 compound treatment 0.836 0.119 1.24 0.922 0.193 2.06 2.3286 0.9702 3210295 TimTec1_002311 Clc1cccc(NC(=O)Nc2nncs2)c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 J02 compound treatment 0.587 -0.13 -1.34 0.734 0.00461 0.05 -0.9152 -0.6807 3210296 TimTec1_002312 CCN1/C(=c\2/sc3nc4ccccc4n3c2=O)/Sc5ccc(OC)cc15 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 J03 compound treatment 0.045 -0.672 -6.96 0.046 -0.683 -7.3 -10.0818 -0.9997 3084141 TimTec1_002313 O=c1oc(ns1)C2(CC3CC4CC(C3)C2)C4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 J04 compound treatment 0.762 0.0453 0.47 0.794 0.0646 0.69 0.8197 0.9823 1542017 TimTec1_002314 CCOC(=O)C1C(C(C(=O)OCC)C(=O)CC1=O)c2ccc(OC)cc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 J05 compound treatment 0.152 -0.565 -5.85 0.047 -0.682 -7.29 -9.2906 -0.994 3084143 TimTec1_002315 N=C1SCC(=O)N1C(=O)c2ccccc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 J06 compound treatment 0.673 -0.0437 -0.45 0.751 0.0216 0.23 -0.1569 -0.3087 1449538 TimTec1_002316 O=C(NCc1cccnc1)NC2(CC2)c3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 J07 compound treatment 1.082 0.365 3.78 1.092 0.363 3.87 5.4144 0.9999 3084144 TimTec1_002317 N/C(=N\O)/c1ccc(NC(=O)c2ccccn2)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 J08 compound treatment 1.315 0.598 6.2 1.357 0.628 6.7 9.1227 0.9992 1594153 TimTec1_002318 CN(C)c1nc(F)c(F)c(c1F)S(=O)(=O)c2ccccc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 J09 compound treatment 1.3 0.583 6.04 1.247 0.518 5.53 8.1818 0.999 1187969 TimTec1_002319 Cn1cc(Cl)c(n1)C(=O)N2CCc3ccccc3C2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 J10 compound treatment 0.6 -0.117 -1.21 0.653 -0.0764 -0.82 -1.4318 -0.9817 1126252 TimTec1_002320 CC(C)OC1(O)C(=O)c2ccccc2C(=O)C1(O)OC(C)C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 J11 compound treatment 0.907 0.19 1.97 0.905 0.176 1.88 2.7202 0.9997 1344052 TimTec1_002321 Cc1ccc(cc1)S(=O)(=O)Nc2c[nH]c(=O)[nH]c2=O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 J12 compound treatment 0.747 0.0303 0.31 0.76 0.0306 0.33 0.453 0.9998 1290298 TimTec1_002322 O=C(Nc1nccs1)c2ccccc2C(=O)Nc3nccs3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 J13 compound treatment 0.239 -0.478 -4.95 0.311 -0.418 -4.47 -6.6592 -0.9987 1039552 TimTec1_002323 CCC(N)Cc1c[nH]c2ccccc12 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 J14 compound treatment 0.046 -0.671 -6.95 0.042 -0.687 -7.34 -10.1047 -0.9996 1270186 TimTec1_002324 O=C(Oc1nsnc1N2CCOCC2)c3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 J15 compound treatment 1.097 0.38 3.94 1.036 0.307 3.28 5.1012 0.9958 1075811 TimTec1_002325 CCN(C(=O)c1ccc(cc1)C(=O)N(CC)c2ccccc2)c3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 J16 compound treatment 0.926 0.209 2.17 0.89 0.161 1.72 2.746 0.9933 3084150 TimTec1_002326 CCOc1ccc(NC(=O)CCc2ccc(OC)cc2)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 J17 compound treatment 0.918 0.201 2.08 0.909 0.18 1.92 2.8309 0.9991 3210404 TimTec1_002327 CC(C)(C)C(=O)CSc1nc(N)c(C#N)c(c2cccs2)c1C#N 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 J18 compound treatment 0.141 -0.576 -5.96 0.192 -0.537 -5.74 -8.2758 -0.9998 1921516 TimTec1_002328 Cc1cc(C)n(n1)C(=O)c2ccc(Cl)cc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 J19 compound treatment 1.212 0.495 5.13 1.236 0.507 5.41 7.4543 0.9996 1585601 TimTec1_002329 COc1ccc(NC(=O)C2(C)c3ccccc3-c4ccccc42)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 J20 compound treatment 0.597 -0.12 -1.24 0.664 -0.0654 -0.7 -1.3707 -0.9631 1485338 TimTec1_002330 Cc1ccn2cc(nc2c1)c3ccc(O)c(O)c3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 J21 compound treatment 1.042 0.325 3.37 1.018 0.289 3.08 4.5625 0.999 3210405 TimTec1_002331 S=P(c1ccccc1)(c2ccccc2)C3(CCCC3)C#N 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 J22 compound treatment 0.754 0.0373 0.39 0.638 -0.0914 -0.98 -0.4173 -0.3975 3084154 TimTec1_002332 CN(C)/C=N/c1nnc(s1)N2CCN(CC2)c3cccc(Cl)c3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 J23 mock treatment 0.846 0.129 1.34 0.803 0.0736 0.79 1.5029 0.9678 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 J24 mock treatment 0.752 0.0353 0.37 0.736 0.00661 0.07 0.3083 0.8285 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 K01 compound treatment 0.53 -0.187 -1.93 0.602 -0.127 -1.36 -2.3298 -0.9852 3210406 TimTec1_002333 COC(=O)c1ccccc1NC(=S)N2CCCCC2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 K02 compound treatment 0.85 0.133 1.38 0.823 0.0936 1.0 1.6833 0.9875 3210407 TimTec1_002334 CCC(C)OC(=O)C1CC=CCC1C(=O)Nc2cccc(Br)c2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 K03 compound treatment 0.898 0.181 1.88 0.963 0.234 2.5 3.0924 0.9902 3084226 TimTec1_002335 CC(C)(C)Sc1cccc2ccccc12 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 K04 compound treatment 0.88 0.163 1.69 0.932 0.203 2.16 2.7264 0.9925 3084228 TimTec1_002336 CC(C)(C)c1cc(cc(c1O)C(C)(C)C)C(=O)C(C)(C)NO 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 K05 compound treatment 0.843 0.126 1.31 0.838 0.109 1.16 1.7453 0.9982 3210408 TimTec1_002337 C/C(=C/C(=O)c1c(O)c2ccccc2n(C)c1=O)/Nc3ccc(N)cc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 K06 compound treatment 1.389 0.672 6.96 1.439 0.71 7.58 10.284 0.9991 1115526 TimTec1_002338 COC(=O)c1ccc(NC(=O)Nc2ccccc2)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 K07 compound treatment 0.908 0.191 1.98 0.911 0.182 1.94 2.7728 0.9999 1577631 TimTec1_002339 COc1cc(cc(OC)c1OC)C(=O)C(C#N)c2nc3ccccc3s2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 K08 compound treatment 1.237 0.52 5.39 1.219 0.49 5.23 7.5089 0.9999 1662490 TimTec1_002340 COc1ccc(cc1)N(C(=O)c2ccc(OC)cc2)S(=O)(=O)c3ccc(C)cc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 K09 compound treatment 1.129 0.412 4.27 1.147 0.418 4.46 6.1741 0.9998 3210409 TimTec1_002341 CC/1=NN(C(=O)\C1=C/c2ccc(o2)c3ccc(cc3)S(=O)(=O)N)c4ccc(C)c(C)c4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 K10 compound treatment 0.085 -0.632 -6.54 0.087 -0.642 -6.86 -9.4791 -0.9997 3084233 TimTec1_002342 Cc1ccc2nc(sc2c1)c3ccc(/N=C/c4c[nH]c5ccccc45)cc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 K11 compound treatment 0.835 0.118 1.23 0.851 0.122 1.3 1.7849 0.9996 1879124 TimTec1_002343 C(/C=C/c1ccccc1)N2CCNCC2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 K12 compound treatment 0.155 -0.562 -5.82 0.162 -0.567 -6.06 -8.3999 -0.9998 1460330 TimTec1_002344 Cc1cc(NCc2ccco2)c3ccccc3n1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 K13 compound treatment 1.5 0.783 8.11 1.48 0.751 8.02 11.4067 1.0 3210411 TimTec1_002345 COc1ccc(NC(=O)C2CCCCN2/N=C/c3ccc(OC)c(OCC(C)C)c3)cc1OC 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 K14 compound treatment 1.248 0.531 5.5 1.195 0.466 4.97 7.4082 0.9987 1358271 TimTec1_002346 O=C(N1CCCc2ccccc12)c3cc4ccccc4o3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 K15 compound treatment 0.962 0.245 2.54 0.995 0.266 2.84 3.8028 0.9985 1526938 TimTec1_002347 CC1(C2C(C=CC1c3ccccc3)c4ccccc4)C(=O)N(CCC5=CCCCC5)C2=O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 K16 compound treatment 0.912 0.195 2.02 0.949 0.22 2.35 3.0892 0.9973 1395232 TimTec1_002348 CC(C)(C)c1ccc(OCC(=O)NC(c2ccccc2)c3ccccc3)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 K17 compound treatment 0.693 -0.0237 -0.25 0.72 -0.00939 -0.1 -0.2446 -0.9219 3210412 TimTec1_002349 O=C(Cc1ccccc1)Oc2ccc(/N=C/c3cccs3)cc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 K18 compound treatment 0.742 0.0253 0.26 0.752 0.0226 0.24 0.356 0.9992 3084236 TimTec1_002350 CC(C)c1cccc(C(C)C)c1NC(=O)C(C)(C)C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 K19 compound treatment 0.85 0.133 1.38 0.876 0.147 1.57 2.0836 0.998 3210413 TimTec1_002351 OC(CN1C(=O)S/C(=C/c2ccccc2)/C1=O)Cn3c4ccccc4c5ccccc35 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 K20 compound treatment 1.106 0.389 4.03 1.068 0.339 3.62 5.4089 0.9985 3084237 TimTec1_002352 Cc1ccccc1OCCCC(=O)Nc2cccc(c2)C(F)(F)F 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 K21 compound treatment 1.252 0.535 5.54 1.193 0.464 4.95 7.4224 0.9984 3210414 TimTec1_002353 CC(Sc1ncnc2sc3CCCCc3c12)C(=O)O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 K22 compound treatment 1.049 0.332 3.44 1.078 0.349 3.72 5.067 0.9992 1464155 TimTec1_002354 CC1=CC(C)(C)N(C(=O)c2ccccc2)c3ccc(OC(=O)c4ccccc4)cc13 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 K23 mock treatment 0.635 -0.0817 -0.85 0.701 -0.0284 -0.3 -0.8129 -0.9042 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 K24 mock treatment 0.752 0.0353 0.37 0.766 0.0366 0.39 0.535 0.9994 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 L01 compound treatment 0.865 0.148 1.54 0.872 0.143 1.52 2.1633 1.0 3210415 TimTec1_002355 Cc1cc(NC(=O)NC(C)(C)C)no1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 L02 compound treatment 1.055 0.338 3.5 1.007 0.278 2.97 4.5746 0.9966 3084239 TimTec1_002356 CC1CCN(CC1)C(=O)/C=C\c2ccccc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 L03 compound treatment 0.051 -0.666 -6.89 0.076 -0.653 -6.98 -9.8112 -1.0 3210416 TimTec1_002357 CC(=O)Nc1sc2CCCCc2c1c3nsc(=O)o3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 L04 compound treatment 0.999 0.282 2.92 0.969 0.24 2.56 3.8774 0.9978 1127427 TimTec1_002358 CC(C)(C)NC(=O)Cn1c(nc2ccccc12)c3nonc3N 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 L05 compound treatment 0.041 -0.676 -7.0 0.041 -0.688 -7.35 -10.1489 -0.9997 3084242 TimTec1_002359 O=c1[nH]cc(Sc2cccc3cccnc23)c(=O)[nH]1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 L06 compound treatment 0.915 0.198 2.05 0.899 0.17 1.81 2.7334 0.9981 1461401 TimTec1_002360 CC1(O)N(Cc2ccccn2)C(=O)OC31CC(C)(C)NC(C)(C)C3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 L07 compound treatment 0.902 0.185 1.92 0.915 0.186 1.98 2.7591 0.9999 3084243 TimTec1_002361 OC(=O)C1CSC(N1)C2CCC=CC2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 L08 compound treatment 0.518 -0.199 -2.06 0.587 -0.142 -1.52 -2.5309 -0.9889 1709669 TimTec1_002362 O=C(CSc1nc2ccccc2o1)NCC3(CC4CC5CC(C4)C3)C5 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 L09 compound treatment 0.762 0.0453 0.47 0.778 0.0486 0.52 0.6989 0.9987 3084245 TimTec1_002363 Brc1cnn(c1)C(=O)COc2ccccc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 L10 compound treatment 0.805 0.0883 0.91 0.869 0.14 1.49 1.7012 0.9724 3210417 TimTec1_002364 Cc1ccc(/C=N/N2C(=O)C3C4C=CC(C3C2=O)C54CC5)o1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 L11 compound treatment 0.597 -0.12 -1.24 0.63 -0.0994 -1.06 -1.6276 -0.997 1712043 TimTec1_002365 O=C(Nc1cccc(c1)c2nc3ccccc3[nH]2)c4ccccc4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 L12 compound treatment 0.86 0.143 1.48 0.897 0.168 1.79 2.3155 0.9956 1574585 TimTec1_002366 O=C(Nc1ccc(cc1)S(=O)(=O)Nc2nccs2)c3cc4ccccc4oc3=O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 L13 compound treatment 0.895 0.178 1.85 0.94 0.211 2.25 2.8967 0.9952 3423047 TimTec1_002367 NNC(=O)CCCCC1SCC2NC(=O)NC12 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 L14 compound treatment 0.267 -0.45 -4.66 0.315 -0.414 -4.43 -6.4239 -0.9997 1216605 TimTec1_002368 Oc1ccc2ccccc2c1CN3CCN(Cc4ccc5OCOc5c4)CC3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 L15 compound treatment 1.023 0.306 3.17 0.992 0.263 2.81 4.2269 0.9981 1280719 TimTec1_002369 CCN(Cc1ccccc1)C(=O)c2ccc(cc2)C(=O)N(CC)Cc3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 L16 compound treatment 0.871 0.154 1.6 0.873 0.144 1.53 2.2148 0.9998 3084319 TimTec1_002370 COC(=O)c1ccccc1NC(=O)CCc2ccc(OC)cc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 L17 compound treatment 1.256 0.539 5.59 1.258 0.529 5.65 7.9427 1.0 1598426 TimTec1_002371 CC(C)(C)Nc1nc(Cl)nc(n1)N(CN2C(=O)c3ccccc3S2(=O)=O)C#N 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 L18 compound treatment 0.071 -0.646 -6.69 0.075 -0.654 -6.99 -9.6723 -0.9998 3084321 TimTec1_002372 Fc1ccc(cc1)C(=O)n2cc(Cl)cn2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 L19 compound treatment 0.791 0.0743 0.77 0.829 0.0996 1.06 1.2965 0.9873 3210418 TimTec1_002373 COc1ccc(OC)c(/C=N/N2C(=O)C3C4C=CC(C3C2=O)C54CC5)c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 L20 compound treatment 1.069 0.352 3.65 1.091 0.362 3.86 5.3116 0.9996 1442776 TimTec1_002374 O=S(=O)(Nc1ccc2OC3(CCCCC3)Oc2c1)c4ccc5ccccc5c4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 L21 compound treatment 0.89 0.173 1.79 0.906 0.177 1.89 2.6032 0.9997 1471128 TimTec1_002375 CS(=O)(=O)C1=C(N)C(=O)N(C1c2ccccc2)c3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 L22 compound treatment 1.289 0.572 5.93 1.282 0.553 5.9 8.3657 1.0 3210419 TimTec1_002376 CC/N=C/1\S/C(=C\c2cn(nc2c3ccccc3)C(=O)C)/C(=O)N1CC 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 L23 mock treatment 0.799 0.0823 0.85 0.76 0.0306 0.33 0.8338 0.9135 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 L24 mock treatment 0.686 -0.0307 -0.32 0.724 -0.00539 -0.06 -0.2657 -0.8217 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 M01 compound treatment 0.309 -0.408 -4.22 0.401 -0.328 -3.51 -5.4667 -0.9958 3084325 TimTec1_002377 COC(=O)c1ccccc1NC(=S)Nc2ccccn2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 M02 compound treatment 1.001 0.284 2.94 0.933 0.204 2.18 3.6201 0.9889 3210420 TimTec1_002378 CC(=O)Nc1ccc(NC(=O)C2CC=CCC2C(=O)OCC=C)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 M03 compound treatment 0.949 0.232 2.41 0.965 0.236 2.52 3.481 0.9997 1268388 TimTec1_002379 CC(C)(C)S(=O)(=O)c1ccc(cc1)c2ccccc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 M04 compound treatment 1.159 0.442 4.58 1.096 0.367 3.92 6.0085 0.997 1008465 TimTec1_002380 CC(C)(c1ccccc1)c2ccc(O)cc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 M05 compound treatment 0.493 -0.224 -2.32 0.582 -0.147 -1.57 -2.7518 -0.9823 3210421 TimTec1_002381 Cn1c(=O)c(C(=O)/C=C/C=C/c2ccccc2)c(O)c3ccccc13 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 M06 compound treatment 0.929 0.212 2.2 0.925 0.196 2.09 3.0324 0.9997 1115325 TimTec1_002382 CC(=O)Nc1ccc(cc1)C(=O)NN 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 M07 compound treatment 1.234 0.517 5.36 1.257 0.528 5.64 7.774 0.9997 3084329 TimTec1_002383 COc1cccc(OCCSc2nc3ccccc3s2)c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 M08 compound treatment 1.03 0.313 3.24 1.068 0.339 3.62 4.8523 0.9985 1718621 TimTec1_002384 COc1ccc(cc1)N(C(=O)C)S(=O)(=O)c2ccc(C)cc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 M09 compound treatment 1.328 0.611 6.33 1.355 0.626 6.68 9.2028 0.9996 3210534 TimTec1_002385 CCOC(=O)c1ccc(cc1)N2N=C(/C(=C/c3ccc(OCC)c(OCC)c3)/C2=O)C(F)(F)F 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 M10 compound treatment 1.105 0.388 4.02 1.126 0.397 4.24 5.8397 0.9997 3084332 TimTec1_002386 NC(=O)c1ccccc1/N=C/c2ccc(Br)s2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 M11 compound treatment 1.17 0.453 4.69 1.144 0.415 4.43 6.4517 0.9996 3084333 TimTec1_002387 CC(C)c1cc[nH]c1c2ccccc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 M12 compound treatment 0.83 0.113 1.17 0.852 0.123 1.31 1.7559 0.9985 1512531 TimTec1_002388 Cc1cccc(Oc2cc(C)nc3ccc(C)cc23)c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 M13 compound treatment 0.714 -0.00272 -0.03 0.797 0.0676 0.72 0.4909 0.679 3084336 TimTec1_002389 CCOC(=O)C(C)Sc1nc(N)nc(SC)c1C#N 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 M14 compound treatment 0.81 0.0933 0.97 0.864 0.135 1.44 1.7 0.9813 3210535 TimTec1_002390 CS(=O)(=O)Nc1ccc(Br)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 M15 compound treatment 0.729 0.0123 0.13 0.773 0.0436 0.47 0.4194 0.8684 1144104 TimTec1_002391 CC1OS(=O)OC1(c2ccccc2)c3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 M16 compound treatment 1.049 0.332 3.44 1.005 0.276 2.94 4.5155 0.997 1527653 TimTec1_002392 CCCOC(=O)Nc1ccc(Cl)cc1C(=O)c2ccccc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 M17 compound treatment 0.518 -0.199 -2.06 0.557 -0.172 -1.84 -2.7576 -0.9985 3083234 TimTec1_002393 Cc1ccc(cc1)C(=O)Oc2ccc(/C=N/c3cccs3)cc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 M18 compound treatment 0.813 0.0963 1.0 0.837 0.108 1.15 1.5181 0.9975 1460929 TimTec1_002394 Cn1nccc1C(=O)NCCN2C(=O)OC3(CCCCC3)C2(C)O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 M19 compound treatment 1.131 0.414 4.29 1.054 0.325 3.47 5.4862 0.9944 3083237 TimTec1_002395 Nc1c(n[nH]c1c2ccccc2)c3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 M20 compound treatment 0.836 0.119 1.24 0.859 0.13 1.38 1.8527 0.9984 3210536 TimTec1_002396 CCc1ccc(OCCCC(=O)NCc2ccco2)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 M21 compound treatment 0.085 -0.632 -6.54 0.081 -0.648 -6.93 -9.5245 -0.9996 3083239 TimTec1_002397 Oc1ccc(Br)cc1/C=N\S(=O)(=O)c2cccs2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 M22 compound treatment 1.158 0.441 4.57 1.125 0.396 4.23 6.2203 0.9992 1432671 TimTec1_002398 O=C(C(Sc1ccccc1)c2ccccc2)N3CCCc4ccccc34 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 M23 mock treatment 0.767 0.0503 0.52 0.707 -0.0224 -0.24 0.1991 0.3475 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 M24 mock treatment 0.79 0.0733 0.76 0.756 0.0266 0.28 0.7377 0.9102 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 N01 compound treatment 0.85 0.133 1.38 0.845 0.116 1.24 1.8495 0.9985 3083240 TimTec1_002399 Cc1csc(NC(=O)NC(C)(C)C)n1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 N02 compound treatment 1.082 0.365 3.78 1.137 0.408 4.35 5.7543 0.9975 3210537 TimTec1_002400 FC(F)(F)c1ccc(cc1)C(=O)N2CCCCC2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 N03 compound treatment 1.003 0.286 2.97 1.022 0.293 3.13 4.3071 0.9997 3210538 TimTec1_002401 CSc1nsc(SCc2ccc(cc2)C(=O)Nc3ccc(Cl)cc3)n1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 N04 compound treatment 1.127 0.41 4.25 1.129 0.4 4.27 6.0235 1.0 1438663 TimTec1_002402 COC(=O)c1sc(C(=O)OC)c2OCCOc12 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 N05 compound treatment 1.169 0.452 4.68 1.155 0.426 4.55 6.5275 0.9999 1361986 TimTec1_002403 O=C(Nc1nc2ccccc2s1)C3CC3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 N06 compound treatment 0.949 0.232 2.41 0.928 0.199 2.12 3.2015 0.998 1212434 TimTec1_002404 O=C(NC1(CC2CC3CC(C2)C1)C3)C4CCCN4S(=O)(=O)c5ccccc5 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 N07 compound treatment 1.032 0.315 3.27 1.011 0.282 3.01 4.4363 0.9992 3083244 TimTec1_002405 CC(C1NC(CS1)C(=O)O)c2ccccc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 N08 compound treatment 0.846 0.129 1.34 0.847 0.118 1.26 1.8353 0.9995 1224464 TimTec1_002406 COc1ccccc1CN(C2CC(C)(C)N(C(=O)C)C(C)(C)C2)C(=O)C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 N09 compound treatment 1.083 0.366 3.79 1.077 0.348 3.71 5.3084 0.9999 1304876 TimTec1_002407 Oc1ccccc1NC(=O)c2cc(NC(=O)c3ccccc3)cc(c2)C(=O)Nc4ccccc4O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 N10 compound treatment 0.165 -0.552 -5.71 0.416 -0.313 -3.35 -6.4079 -0.9676 1473339 TimTec1_002408 Brc1cccc(Cn2ccc(NC3CCCC3)nc2=O)c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 N11 compound treatment 1.074 0.357 3.7 1.019 0.29 3.09 4.8044 0.996 1341588 TimTec1_002409 O=C(COc1ccccc1)Nc2nccs2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 N12 compound treatment 0.94 0.223 2.31 0.969 0.24 2.56 3.4453 0.9987 1327761 TimTec1_002410 Cc1ccc2nc(NC(=O)C3CC(O)CN3C(=O)Oc4ccccc4)sc2c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 N13 compound treatment 1.103 0.386 4.0 1.08 0.351 3.75 5.4776 0.9995 3210539 TimTec1_002411 CCN(CC)c1ccc(/N=C/c2cc(C)n(c2C)c3ccc(OC(=O)C)cc3)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 N14 compound treatment 0.847 0.13 1.35 0.836 0.107 1.14 1.7595 0.9964 1381502 TimTec1_002412 Cn1c(CSc2nc3ccccc3s2)nnc1SCC(=O)NCCO 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 N15 compound treatment 0.892 0.175 1.82 0.905 0.176 1.88 2.6103 0.9999 1470780 TimTec1_002413 O=C(N1CCc2ccccc2C1)c3ccc(cc3)C(=O)N4CCc5ccccc5C4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 N16 compound treatment 0.045 -0.672 -6.96 0.044 -0.685 -7.32 -10.0969 -0.9997 3083248 TimTec1_002414 COC(=O)c1sc(NC(=O)c2ccccc2)c(C(=O)OC)c1C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 N17 compound treatment 0.918 0.201 2.08 0.902 0.173 1.84 2.778 0.9981 1663793 TimTec1_002415 Cc1ccc(cc1)S(=O)(=O)Nc2ccc(cc2)S(=O)(=O)Nc3nccc(C)n3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 N18 compound treatment 0.784 0.0673 0.7 0.778 0.0486 0.52 0.86 0.9895 3083249 TimTec1_002416 COc1ccc(/C=N/c2nonc2N)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 N19 compound treatment 0.974 0.257 2.66 0.933 0.204 2.18 3.4223 0.9949 1431956 TimTec1_002417 O=C(Nn1nnnc1Nc2ccccc2)C3(CC4CC5CC(C4)C3)C5 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 N20 compound treatment 1.098 0.381 3.95 1.088 0.359 3.83 5.5014 0.9999 3210540 TimTec1_002418 O=C(NCCSc1ccccc1)C2CCCN2S(=O)(=O)c3ccc4ccccc4c3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 N21 compound treatment 0.815 0.0983 1.02 0.777 0.0476 0.51 1.0794 0.9486 1438435 TimTec1_002419 CC(C)(C)N1C(=O)c2ccc(cc2C1=O)C(=O)Nc3nccs3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 N22 compound treatment 0.254 -0.463 -4.79 0.329 -0.4 -4.28 -6.4134 -0.9984 3083251 TimTec1_002420 Cc1nn(Cc2ccc(o2)C(=O)n3cc(Cl)cn3)c(C)c1Cl 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 N23 mock treatment 0.759 0.0423 0.44 0.806 0.0766 0.82 0.8884 0.9571 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 N24 mock treatment 0.805 0.0883 0.91 0.794 0.0646 0.69 1.1346 0.9904 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 O01 compound treatment 0.964 0.247 2.56 0.919 0.19 2.03 3.2434 0.9933 3210541 TimTec1_002421 COC(=O)c1cccc(NC(=S)N)c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 O02 compound treatment 0.954 0.237 2.46 0.996 0.267 2.85 3.7518 0.9973 3210542 TimTec1_002422 CCC(C)OC(=O)C1CC=CCC1C(=O)Nc2ccc(C)cc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 O03 compound treatment 0.982 0.265 2.75 0.974 0.245 2.61 3.7907 0.9997 1368916 TimTec1_002423 CC(C)(C)S(=O)(=O)c1ccc(s1)S(=O)(=O)C(C)(C)C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 O04 compound treatment 0.917 0.2 2.07 0.96 0.231 2.46 3.2089 0.9963 3083253 TimTec1_002424 Oc1ccccc1c2cc(nc(n2)c3ccccc3)c4ccccc4O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 O05 compound treatment 0.067 -0.65 -6.73 0.077 -0.652 -6.97 -9.6865 -0.9998 3210543 TimTec1_002425 Oc1ccc(/C=C/2\N=C(N(C2=O)c3nc4cc(Cl)c(F)cc4s3)c5ccccc5)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 O06 compound treatment 0.835 0.118 1.23 0.838 0.109 1.16 1.6867 0.9996 1018518 TimTec1_002426 NC(=O)Nc1ccc(cc1)C(=O)O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 O07 compound treatment 0.155 -0.562 -5.82 0.167 -0.562 -6.01 -8.3622 -0.9999 3210544 TimTec1_002427 Cc1ccc2nc([nH]c2c1)C(F)(F)F 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 O08 compound treatment 0.11 -0.607 -6.28 0.104 -0.625 -6.68 -9.1676 -0.9995 3210545 TimTec1_002428 Cc1ccc(cc1/N=C/c2cc(Br)ccc2O)c3nc4ccccc4[nH]3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 O09 compound treatment 0.926 0.209 2.17 0.971 0.242 2.58 3.3579 0.9962 1303670 TimTec1_002429 OCCSc1nc2ccccc2n1Cc3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 O10 compound treatment 0.528 -0.189 -1.95 0.541 -0.188 -2.01 -2.8052 -0.9999 1421938 TimTec1_002430 O=S(=O)(N1CCC(Cc2ccccc2)CC1)c3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 O11 compound treatment 1.092 0.375 3.89 1.139 0.41 4.38 5.8427 0.9983 3083599 TimTec1_002431 CCn1ccc(C(C)C)c1c2ccccc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 O12 compound treatment 0.936 0.219 2.27 0.918 0.189 2.02 3.0307 0.9982 1392594 TimTec1_002432 CCOC(=O)c1cnc2ccc(OCC)cc2c1NCc3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 O13 compound treatment 0.896 0.179 1.86 0.889 0.16 1.71 2.5187 0.9991 1448583 TimTec1_002433 CC1=NN(C(=O)CSc2nc3ccccc3s2)C(C)(O)C1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 O14 compound treatment 1.231 0.514 5.33 1.209 0.48 5.12 7.3895 0.9998 3210546 TimTec1_002434 COc1ccc(cc1OC)C(=O)NCCOc2cc(C)cc(C)c2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 O15 compound treatment 0.965 0.248 2.57 1.023 0.294 3.14 4.0363 0.9951 1920603 TimTec1_002435 CC1CCN(CC1)C(=O)Nc2ccccc2C(F)(F)F 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 O16 compound treatment 1.086 0.369 3.82 1.046 0.317 3.38 5.0962 0.9981 1864261 TimTec1_002436 CCC(=O)Oc1ccc(/C=C/c2ccccc2)cc1OC 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 O17 compound treatment 0.999 0.282 2.92 0.938 0.209 2.23 3.6432 0.991 3210547 TimTec1_002437 Brc1ccc(cc1)C(=O)CSC2CCCCC2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 O18 compound treatment 0.456 -0.261 -2.7 0.516 -0.213 -2.28 -3.5214 -0.9965 1208412 TimTec1_002438 CC(C)C(=O)NC1CCCCCCCCCCC1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 O19 compound treatment 1.293 0.576 5.97 1.281 0.552 5.89 8.3874 1.0 1373698 TimTec1_002439 N#Cc1nc(oc1NCc2ccco2)c3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 O20 compound treatment 1.03 0.313 3.24 0.981 0.252 2.69 4.1951 0.9956 3210548 TimTec1_002440 Clc1ccc(OCCCC(=O)NCC2CCCO2)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 O21 compound treatment 0.098 -0.619 -6.41 0.099 -0.63 -6.73 -9.2933 -0.9997 1545717 TimTec1_002441 O=C(Nc1ccccc1)C2CC=CCC2C(=O)OCC3CCCO3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 O22 compound treatment 1.076 0.359 3.72 1.122 0.393 4.19 5.5971 0.9982 3083601 TimTec1_002442 CCC(C)NC(=O)Nc1ccc(C)c(Cl)c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 O23 mock treatment 0.71 -0.00672 -0.07 0.733 0.00361 0.04 -0.0219 -0.2754 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 O24 mock treatment 0.779 0.0623 0.65 0.772 0.0426 0.46 0.778 0.9854 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 P01 compound treatment 0.74 0.0233 0.24 0.833 0.104 1.11 0.9532 0.8414 3210549 TimTec1_002443 COc1ccc(CCNC(=O)NC(C)(C)C)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 P02 compound treatment 0.053 -0.664 -6.87 0.07 -0.659 -7.04 -9.8419 -0.9999 3083602 TimTec1_002444 Cc1ccc(cc1)S(=O)(=O)c2no[n+]([O-])c2S(=O)(=O)c3ccc(C)cc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 P03 compound treatment 0.874 0.157 1.63 0.871 0.142 1.51 2.2216 0.9993 3210664 TimTec1_002445 Clc1ccc(NC(=O)c2ccc(CSC3=NCCS3)cc2)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 P04 compound treatment 0.795 0.0783 0.81 0.752 0.0226 0.24 0.7441 0.8796 1549117 TimTec1_002446 CN(C1CC(C)(C)N(O)C(C)(C)C1)C(=O)c2ccco2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 P05 compound treatment 0.766 0.0493 0.51 0.814 0.0846 0.9 1.0001 0.9634 3210665 TimTec1_002447 Cc1ccc(/C(=N\O)/N)n1C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 P06 compound treatment 0.77 0.0533 0.55 0.846 0.117 1.25 1.2711 0.9329 1268004 TimTec1_002448 CN(C1CC(C)(C)NC(C)(C)C1)C(=O)c2ccc(cc2)n3cnnn3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 P07 compound treatment 0.187 -0.53 -5.49 0.194 -0.535 -5.72 -7.9238 -0.9998 3083603 TimTec1_002449 NNC(=O)c1nnn(c1CNc2ccccc2)c3nonc3N 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 P08 compound treatment 0.61 -0.107 -1.11 0.664 -0.0654 -0.7 -1.2755 -0.9755 1521216 TimTec1_002450 CC1(C)CC(CC(C)(C)N1)NC(=O)NC(=O)c2c(F)cccc2F 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 P09 compound treatment 0.818 0.101 1.05 0.78 0.0506 0.54 1.1241 0.9525 1778355 TimTec1_002451 CC(C)(C)C(=O)Nc1c[nH]c(=O)[nH]c1=O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 P10 compound treatment 1.284 0.567 5.88 1.232 0.503 5.37 7.9514 0.999 3210666 TimTec1_002452 Cc1cc(C)c(C#N)c(SCC(=O)C(C)(C)C)n1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 P11 compound treatment 0.879 0.162 1.68 0.885 0.156 1.66 2.364 1.0 1283021 TimTec1_002453 OC(=O)c1ccccc1NC(=O)c2ccccc2Cl 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 P12 compound treatment 1.154 0.437 4.53 1.134 0.405 4.32 6.259 0.9997 3210667 TimTec1_002454 C(=N/c1cccc(\N=C\c2ccco2)n1)\c3ccco3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 P13 compound treatment 1.113 0.396 4.1 1.038 0.309 3.3 5.2335 0.9941 3210668 TimTec1_002455 COC(=O)c1cccc(NC(=O)/C=C/c2ccc3OCOc3c2)c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 P14 compound treatment 0.773 0.0563 0.58 0.782 0.0526 0.56 0.8096 0.9998 3083604 TimTec1_002456 Cc1sc2ncnc(Sc3ncnc4sc(C)c(C)c34)c2c1C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 P15 compound treatment 1.05 0.333 3.45 1.014 0.285 3.04 4.5908 0.998 1287584 TimTec1_002457 CCOC(=O)c1ccc(NC(=O)C(Sc2ccccc2)c3ccccc3)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 P16 compound treatment 0.178 -0.539 -5.58 0.191 -0.538 -5.75 -8.0124 -0.9999 3083605 TimTec1_002458 COC(=O)c1ccc(Cl)cc1OC(=O)c2ccccc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 P17 compound treatment 0.805 0.0883 0.91 0.794 0.0646 0.69 1.1346 0.9904 1716804 TimTec1_002459 CC1CC(O)(CC(O)(c2ccccc2)c3ccccc3)C(C)CN1C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 P18 compound treatment 1.135 0.418 4.33 1.099 0.37 3.95 5.8554 0.9989 3083606 TimTec1_002460 Cc1cccc(N2C(=O)/C(=C\3/C(=O)N(CC(=O)O)c4ccccc34)/SC2=S)c1C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 P19 compound treatment 0.784 0.0673 0.7 0.877 0.148 1.58 1.6078 0.9326 3210669 TimTec1_002461 CC1CCc2c(C#N)c(/N=C/C=C/c3ccccc3)sc2C1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 P20 compound treatment 1.162 0.445 4.61 1.082 0.353 3.77 5.9247 0.995 1689508 TimTec1_002462 CC(C)(C)c1ccc(CNC(=O)C2CCCN2S(=O)(=O)c3ccccc3)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 P21 compound treatment 0.879 0.162 1.68 0.85 0.121 1.29 2.0996 0.9914 3083607 TimTec1_002463 CC(C)(CNC(=O)c1ccccc1Cl)CNC2=NS(=O)(=O)c3ccccc23 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 P22 compound treatment 0.566 -0.151 -1.56 0.566 -0.163 -1.75 -2.3381 -0.9984 1611856 TimTec1_002464 Cc1ccc(CC(=O)[C@@H]2[C@@H](c3ccoc3)C(C#N)(C#N)[C@H]4C=Cc5ccccc5N24)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 P23 mock treatment 0.823 0.106 1.1 0.811 0.0816 0.87 1.3949 0.9933 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2069 P24 mock treatment 0.698 -0.0187 -0.19 0.759 0.0296 0.32 0.0866 0.2334 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 A01 compound treatment 1.046 0.0153 0.16 1.043 0.112 1.19 0.9554 0.7943 3084014 TimTec1_002817 COCCc1nnc(CCOC)n1N 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 A02 compound treatment 0.932 -0.0987 -1.02 1.033 0.102 1.09 0.0449 0.0302 3084016 TimTec1_002818 COC(=O)Cc1[nH]nc2OC(=C(C#N)C3(CCOC3C)c12)N 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 A03 compound treatment 1.1 0.0693 0.72 1.021 0.0896 0.96 1.1847 0.99 1505030 TimTec1_002819 CC(=O)NC1CC(C)(C)N(OC(=O)c2ccccn2)C(C)(C)C1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 A04 compound treatment 1.01 -0.0207 -0.21 0.989 0.0576 0.62 0.2838 0.4357 1622909 TimTec1_002820 COc1cccc(NC(=O)CCC(=O)Nc2cccc(OC)c2)c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 A05 compound treatment 0.51 -0.521 -5.39 0.387 -0.544 -5.82 -7.9256 -0.9993 1232935 TimTec1_002821 COC(=O)c1ccc2OCC(=O)Nc2c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 A06 compound treatment 1.341 0.31 3.21 1.354 0.423 4.51 5.4652 0.9861 1338496 TimTec1_002822 O=C(Cc1ccccc1)Nc2ccc(C#N)cc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 A07 compound treatment 1.075 0.0443 0.46 1.006 0.0746 0.8 0.8883 0.9657 1686991 TimTec1_002823 O=C(NC1(CC1)c2ccccc2)N3CCN(CC3)c4ccccc4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 A08 compound treatment 1.162 0.131 1.36 1.196 0.265 2.83 2.9607 0.9438 1704723 TimTec1_002824 COc1ccccc1OCC(=O)NCCC2=CCCCC2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 A09 compound treatment 1.122 0.0913 0.95 0.756 -0.175 -1.87 -0.6561 -0.3125 1538860 TimTec1_002825 COc1nc(C#N)nc(n1)N2CCCCC2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 A10 compound treatment 1.408 0.377 3.91 1.253 0.322 3.44 5.1929 0.9979 1705636 TimTec1_002826 COC(=O)CCC(=O)c1c(C)[nH]c2ccccc12 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 A11 compound treatment 0.997 -0.0337 -0.35 0.993 0.0616 0.66 0.2188 0.2938 1667965 TimTec1_002827 O=C(N1CC(=O)N(CCc2ccccc2)C(=O)C1)C3(CC4CC5CC(C4)C3)C5 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 A12 compound treatment 0.954 -0.0767 -0.79 0.925 -0.00641 -0.07 -0.6098 -0.7652 1335542 TimTec1_002828 NS(=O)(=O)c1ccc(NC(=O)C2CC2)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 A13 compound treatment 0.957 -0.0737 -0.76 0.863 -0.0684 -0.73 -1.0562 -0.9998 1346198 TimTec1_002829 CC(=O)Nc1ccc(NC(=O)NC2(CC2)c3ccccc3)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 A14 compound treatment 1.204 0.173 1.8 1.153 0.222 2.37 2.9435 0.9907 1605519 TimTec1_002830 COc1ccc(cc1)C(=O)NCCC2=CCCCC2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 A15 compound treatment 1.104 0.0733 0.76 1.082 0.151 1.61 1.6748 0.9413 1396894 TimTec1_002831 CC(=O)ON1C(C)(C)CC(CC1(C)C)OC(=O)c2ccco2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 A16 compound treatment 1.129 0.0983 1.02 1.14 0.209 2.23 2.296 0.9371 1437131 TimTec1_002832 COc1ccc(NC(=S)NC(=O)COc2ccccc2)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 A17 compound treatment 0.907 -0.124 -1.28 0.673 -0.258 -2.76 -2.8577 -0.939 3209376 TimTec1_002833 CC(CN(C)C)Sc1nc(C)cc(C)n1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 A18 compound treatment 0.065 -0.966 -10.0 0.077 -0.854 -9.13 -13.5264 -0.999 3084025 TimTec1_002834 C/C(=N/O)/C1C(=O)c2ccccc2C1=O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 A19 compound treatment 1.177 0.146 1.52 1.101 0.17 1.81 2.3529 0.9961 1530326 TimTec1_002835 O=C(Cn1nc2-c3ccccc3C(=O)c4cccc1c24)N5CCOCC5 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 A20 compound treatment 1.127 0.0963 1.0 1.05 0.119 1.27 1.6015 0.993 1340976 TimTec1_002836 Cc1ccccc1NCC(=O)NN 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 A21 compound treatment 1.051 0.0203 0.21 0.85 -0.0814 -0.87 -0.466 -0.5207 1679889 TimTec1_002837 CC(=O)Nc1ccc2c(C)cc(=O)[nH]c2c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 A22 compound treatment 1.098 0.0673 0.7 0.918 -0.0134 -0.14 0.3919 0.5504 1127034 TimTec1_002838 OC(=O)CCC(=O)NC1CCCCC1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 A23 mock treatment 1.001 -0.0297 -0.31 0.873 -0.0584 -0.62 -0.6584 -0.9467 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 A24 mock treatment 0.899 -0.132 -1.36 0.803 -0.128 -1.37 -1.9342 -1.0 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 B01 compound treatment 1.158 0.127 1.32 0.99 0.0586 0.63 1.3752 0.942 1361487 TimTec1_002839 CCC(=O)Nc1ccccc1c2ccccc2NC(=O)CC 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 B02 compound treatment 1.287 0.256 2.65 1.155 0.224 2.39 3.5664 0.9986 3209377 TimTec1_002840 COc1ccc(CC(=O)N(C)C)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 B03 compound treatment 1.163 0.132 1.37 1.084 0.153 1.63 2.122 0.9963 3209378 TimTec1_002841 O=C(NCCCc1ccccc1)C2c3ccccc3Oc4ccccc24 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 B04 compound treatment 1.089 0.0583 0.6 0.955 0.0236 0.25 0.6055 0.9248 1049258 TimTec1_002842 O=C(N1CCN(CC1)c2ccccc2)c3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 B05 compound treatment 0.084 -0.947 -9.8 0.094 -0.837 -8.95 -13.2588 -0.999 3084098 TimTec1_002843 O=C(CCCc1ccccc1)Nc2scc3c(=O)oc4ccccc4c23 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 B06 compound treatment 0.743 -0.288 -2.98 0.626 -0.305 -3.26 -4.4138 -0.999 1415764 TimTec1_002844 CCC(C)NC(=O)Cc1ccc(OC)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 B07 compound treatment 1.373 0.342 3.55 1.393 0.462 4.93 5.9941 0.9869 3209379 TimTec1_002845 Ic1cccc(c1)C(=O)Nc2ccccc2C(=O)N3CCCC3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 B08 compound treatment 1.07 0.0393 0.41 0.966 0.0346 0.37 0.5495 0.9988 1699287 TimTec1_002846 CCOC(=O)N1CCN(CC1)C(=O)c2cccs2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 B09 compound treatment 1.045 0.0143 0.15 0.925 -0.00641 -0.07 0.0567 0.3464 3209380 TimTec1_002847 Cc1ccc(cc1)n2c(SCc3cccc(c3)C(F)(F)F)nnc2c4ccncc4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 B10 compound treatment 1.175 0.144 1.49 1.174 0.243 2.59 2.8897 0.9658 1149703 TimTec1_002848 COc1ccc(cc1)S(=O)(=O)N(CCO)C2CCCCC2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 B11 compound treatment 0.929 -0.102 -1.05 0.864 -0.0674 -0.72 -1.2537 -0.9828 3209381 TimTec1_002849 FC(F)(F)c1ccc(/C=N\n2c(S)nnc2c3ccccc3)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 B12 compound treatment 0.948 -0.0827 -0.86 0.86 -0.0714 -0.76 -1.1448 -0.9983 1570349 TimTec1_002850 CS(=O)(=O)NC1CCN(Cc2ccccc2)CC1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 B13 compound treatment 1.012 -0.0187 -0.19 0.94 0.00859 0.09 -0.0717 -0.3352 1666129 TimTec1_002851 CN(C)CCc1[nH]c2ccc(C)cc2c1CC#N 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 B14 compound treatment 1.165 0.134 1.39 1.062 0.131 1.4 1.9704 1.0 3084104 TimTec1_002852 CC(C)(C)NS(=O)(=O)c1ccc(F)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 B15 compound treatment 1.022 -0.00866 -0.09 0.978 0.0466 0.5 0.2886 0.5706 1361349 TimTec1_002853 CC(=O)N1CC2N(CCc3ccccc23)C1c4ccccc4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 B16 compound treatment 0.997 -0.0337 -0.35 0.918 -0.0134 -0.14 -0.3478 -0.9228 1603417 TimTec1_002854 NC(=O)c1cccc(c1)C(=O)N 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 B17 compound treatment 1.048 0.0173 0.18 0.957 0.0256 0.27 0.3204 0.9792 1380307 TimTec1_002855 Nc1ncnc2[nH]c(Sc3ncnc4ccccc34)nc12 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 B18 compound treatment 0.914 -0.117 -1.21 0.811 -0.12 -1.29 -1.7639 -0.9995 1630576 TimTec1_002856 Clc1cccc(c1)C(=O)NCCN2CCOCC2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 B19 compound treatment 1.047 0.0163 0.17 1.035 0.104 1.11 0.9023 0.8059 3209382 TimTec1_002857 Cc1ccc(cc1)S(=O)(=O)N2CCN(CC2)c3nc(NC4CCCC4)c5ccccc5n3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 B20 compound treatment 0.96 -0.0707 -0.73 0.802 -0.129 -1.38 -1.495 -0.9558 1014173 TimTec1_002858 CC(C)C(=O)Nc1cccc(C)c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 B21 compound treatment 1.046 0.0153 0.16 0.978 0.0466 0.5 0.4643 0.8887 1540718 TimTec1_002859 Cn1c2nc(c(C(=S)Nc3ccccc3)n2c4ccccc14)c5ccccc5 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 B22 compound treatment 1.074 0.0433 0.45 1.124 0.193 2.06 1.7723 0.8416 3084109 TimTec1_002860 C=CCN(CC=C)S(=O)(=O)Cc1ccccc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 B23 mock treatment 1.03 -6.56E-4 -0.01 0.894 -0.0374 -0.4 -0.2874 -0.719 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 B24 mock treatment 1.017 -0.0137 -0.14 0.849 -0.0824 -0.88 -0.7225 -0.8103 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 C01 compound treatment 0.875 -0.156 -1.61 0.801 -0.13 -1.39 -2.1251 -0.9974 3084110 TimTec1_002861 Nn1c(nnc1c2ccccn2)c3ccccn3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 C02 compound treatment 1.179 0.148 1.54 1.2 0.269 2.87 3.1154 0.9571 3209504 TimTec1_002862 Cc1ccc(o1)c2cc(c3c(N)c(sc3n2)C(=O)c4ccc5OCOc5c4)C(F)(F)F 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 C03 compound treatment 1.132 0.101 1.05 0.996 0.0646 0.69 1.2302 0.9793 1686195 TimTec1_002863 COc1ccc(CNC2CC(C)(C)NC(C)(C)C2)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 C04 compound treatment 1.003 -0.0277 -0.29 0.894 -0.0374 -0.4 -0.4851 -0.9867 1012738 TimTec1_002864 COC(=O)CCC(=O)Nc1ccccc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 C05 compound treatment 0.943 -0.0877 -0.91 0.852 -0.0794 -0.85 -1.2418 -0.9994 3084183 TimTec1_002865 O=C(NCCCN1CCOCC1)NC2(CC2)c3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 C06 compound treatment 0.84 -0.191 -1.97 0.796 -0.135 -1.45 -2.4192 -0.9883 1524311 TimTec1_002866 Cc1ccccc1OCC(=O)NC2CCCCC2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 C07 compound treatment 0.91 -0.121 -1.25 0.86 -0.0714 -0.76 -1.423 -0.972 1120456 TimTec1_002867 COc1ccc(NC(=O)OCC23COCN3COC2)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 C08 compound treatment 0.503 -0.528 -5.46 0.451 -0.48 -5.13 -7.4934 -0.9995 1872857 TimTec1_002868 Nc1ccc(/C=C/c2ccccc2)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 C09 compound treatment 0.929 -0.102 -1.05 0.884 -0.0474 -0.51 -1.1026 -0.9437 1455445 TimTec1_002869 CCOc1cc2CCN3C(c2cc1OCC)c4ccccc4OCC3=O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 C10 compound treatment 0.95 -0.0807 -0.84 0.846 -0.0854 -0.91 -1.2359 -0.999 1520503 TimTec1_002870 S=C(NCc1ccccc1)c2ccccn2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 C11 compound treatment 0.309 -0.722 -7.47 0.235 -0.696 -7.44 -10.5459 -1.0 3084189 TimTec1_002871 Cc1sc([s+]c1SCC(=O)O)N2CCCCC2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 C12 compound treatment 1.177 0.146 1.52 1.092 0.161 1.72 2.2849 0.9981 3084190 TimTec1_002872 O=C(NCc1ccccc1)C2CCC2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 C13 compound treatment 1.064 0.0333 0.35 1.042 0.111 1.18 1.0796 0.8771 1274042 TimTec1_002873 COCc1cc(C)nc2sc3c(=O)n(Cc4ccccc4)nnc3c12 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 C14 compound treatment 1.025 -0.00566 -0.06 0.917 -0.0144 -0.15 -0.1503 -0.9124 1250141 TimTec1_002874 Nc1ccc(cc1)S(=O)(=O)NC2CCCCC2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 C15 compound treatment 1.365 0.334 3.46 1.411 0.48 5.12 6.0715 0.9818 1229823 TimTec1_002875 COc1ccc(cc1)S(=O)(=O)NCC2(CC3CC4CC(C3)C2)C4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 C16 compound treatment 1.119 0.0883 0.91 0.874 -0.0574 -0.61 0.2133 0.1937 1379532 TimTec1_002876 O=C(Cc1ccccc1)NC2CCCCC2NC(=O)Cc3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 C17 compound treatment 0.336 -0.695 -7.19 0.23 -0.701 -7.49 -10.3859 -0.9998 1324864 TimTec1_002877 CC1CCN(CNC(=O)c2cc3ccccc3o2)CC1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 C18 compound treatment 1.315 0.284 2.94 1.285 0.354 3.78 4.7535 0.9924 1456811 TimTec1_002878 CC(=O)Nc1sc(Cc2ccccc2)c(C)c1C(=O)N 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 C19 compound treatment 1.086 0.0553 0.57 0.998 0.0666 0.71 0.9084 0.9943 1430592 TimTec1_002879 COc1ccc(c2ccccc12)S(=O)(=O)N(C)CC(=O)O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 C20 compound treatment 1.172 0.141 1.46 1.149 0.218 2.32 2.6789 0.9752 1271718 TimTec1_002880 COc1ccc(OC)c(NC(=O)COc2ccccc2)c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 C21 compound treatment 1.169 0.138 1.43 0.962 0.0306 0.33 1.2443 0.8467 1255886 TimTec1_002881 CCC(CO)NC(=S)Nc1ccccc1C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 C22 compound treatment 0.047 -0.984 -10.19 0.047 -0.884 -9.45 -13.8848 -0.9993 3209505 TimTec1_002882 CC1=NN(C(=S)N)C(=O)C1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 C23 mock treatment 1.003 -0.0277 -0.29 0.866 -0.0654 -0.7 -0.6966 -0.9225 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 C24 mock treatment 0.996 -0.0347 -0.36 0.859 -0.0724 -0.77 -0.8008 -0.939 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 D01 compound treatment 1.177 0.146 1.52 1.22 0.289 3.08 3.2519 0.9465 1352115 TimTec1_002883 Fc1ccc(NC(=O)CCCC(=O)Nc2ccc(F)cc2)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 D02 compound treatment 1.189 0.158 1.64 1.172 0.241 2.57 2.9771 0.9764 3084196 TimTec1_002884 CC1CCCCN1C(=O)c2cccs2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 D03 compound treatment 1.242 0.211 2.19 1.186 0.255 2.72 3.471 0.9942 1725355 TimTec1_002885 CC(=O)Nc1ccc(cc1)S(=O)(=O)NCCC(c2ccccc2)c3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 D04 compound treatment 1.162 0.131 1.36 1.143 0.212 2.26 2.5603 0.9705 1463458 TimTec1_002886 CCOc1ccccc1NC(=O)c2ccc(Br)cc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 D05 compound treatment 1.12 0.0893 0.93 1.149 0.218 2.32 2.2981 0.9185 3209506 TimTec1_002887 O=C(CSc1nc(c(C#N)c(=O)[nH]1)c2ccccc2)N3CCCc4ccccc34 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 D06 compound treatment 1.12 0.0893 0.93 1.116 0.185 1.97 2.0488 0.9405 1121637 TimTec1_002888 CCOc1ccc(NC(=O)c2c(OC)cccc2OC)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 D07 compound treatment 1.076 0.0453 0.47 0.977 0.0456 0.49 0.6765 0.9998 3084200 TimTec1_002889 O=C(Nc1ccccc1C(=O)N2CCCC2)C(c3ccccc3)c4ccccc4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 D08 compound treatment 1.276 0.245 2.54 1.3 0.369 3.94 4.5812 0.9775 3209507 TimTec1_002890 C=CCN(CC=C)C(=O)c1cccs1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 D09 compound treatment 0.116 -0.915 -9.47 0.081 -0.85 -9.09 -13.1227 -0.9998 3084201 TimTec1_002891 Oc1ccc(Br)cc1/C=N/n2cnnc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 D10 compound treatment 1.003 -0.0277 -0.29 0.916 -0.0154 -0.16 -0.3189 -0.9654 1391704 TimTec1_002892 Cc1cc(C)c(c(C)c1)S(=O)(=O)N(CC#N)CC#N 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 D11 compound treatment 0.332 -0.699 -7.24 0.337 -0.594 -6.35 -9.6069 -0.9979 3084275 TimTec1_002893 CC(C)(C)c1ccc(cc1)c2nnc(S)n2/N=C/c3ccccn3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 D12 compound treatment 1.063 0.0323 0.33 1.036 0.105 1.12 1.027 0.8804 1455818 TimTec1_002894 CS(=O)(=O)N1CCN(CC1)c2cccc(Cl)c2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 D13 compound treatment 1.017 -0.0137 -0.14 0.932 5.94E-4 0.01 -0.0955 -0.6747 1401683 TimTec1_002895 Cc1ccc(cc1)S(=O)(=O)c2c[nH]c(=O)[nH]2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 D14 compound treatment 1.206 0.175 1.82 1.178 0.247 2.63 3.147 0.9835 3209508 TimTec1_002896 CCN(CC)S(=O)(=O)c1ccc(F)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 D15 compound treatment 1.085 0.0543 0.56 0.979 0.0476 0.51 0.7575 0.9987 1643931 TimTec1_002897 C(Nc1nc(Nc2nc(cs2)c3ccccc3)nc(n1)N4CCCCC4)c5ccco5 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 D16 compound treatment 1.381 0.35 3.63 1.401 0.47 5.02 6.1132 0.9874 3084279 TimTec1_002898 CN(Cc1ccccc1)C(=O)c2cccs2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 D17 compound treatment 1.015 -0.0157 -0.16 0.785 -0.146 -1.56 -1.2206 -0.7763 1184589 TimTec1_002899 CCN1C(Nc2ccccc12)SCC(=O)Nc3ccc(Cl)cc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 D18 compound treatment 1.145 0.114 1.18 1.113 0.182 1.94 2.2092 0.972 3084281 TimTec1_002900 CC(C)NC(=O)c1cccc(Cl)c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 D19 compound treatment 1.192 0.161 1.67 1.181 0.25 2.67 3.0671 0.9747 3084282 TimTec1_002901 Clc1ccc(OCCSc2ncnc3ccccc23)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 D20 compound treatment 1.262 0.231 2.4 1.096 0.165 1.76 2.9376 0.9884 1014159 TimTec1_002902 CC(C)C(=O)Nc1cccc(Cl)c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 D21 compound treatment 1.202 0.171 1.77 1.13 0.199 2.12 2.7551 0.9961 3209509 TimTec1_002903 OC(=O)CSc1nnc(COc2ccc(Cl)cc2)n1c3ccc(Br)cc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 D22 compound treatment 1.243 0.212 2.2 1.231 0.3 3.2 3.8183 0.9832 1280619 TimTec1_002904 CC1CC(C)CN(C1)S(=O)(=O)Cc2ccccc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 D23 mock treatment 1.031 3.44E-4 0.0 0.965 0.0336 0.36 0.2563 0.7141 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 D24 mock treatment 1.01 -0.0207 -0.21 0.915 -0.0164 -0.18 -0.2752 -0.9951 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 E01 compound treatment 1.137 0.106 1.1 1.068 0.137 1.46 1.8107 0.9904 1488202 TimTec1_002905 COc1ccc(CCNC2=CC(=O)OC32CCCCC3)cc1OC 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 E02 compound treatment 1.178 0.147 1.53 1.141 0.21 2.24 2.6624 0.9825 3084286 TimTec1_002906 Cc1csc(NC(=O)c2sc3nc4CCCc4c(c3c2N)C(F)(F)F)n1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 E03 compound treatment 1.098 0.0673 0.7 1.055 0.124 1.32 1.4268 0.9555 1319939 TimTec1_002907 CCc1ccc(cc1)C2NCCc3cc4OCCOc4cc23 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 E04 compound treatment 0.597 -0.434 -4.49 0.452 -0.479 -5.12 -6.7974 -0.9979 1079846 TimTec1_002908 OC(=O)c1ccccc1C(=O)N2CCCC2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 E05 compound treatment 1.054 0.0233 0.24 0.957 0.0256 0.27 0.3643 0.9981 1117234 TimTec1_002909 OCCNC1(CC2CC3CC(C2)C1)C3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 E06 compound treatment 1.133 0.102 1.06 1.093 0.162 1.73 1.9702 0.9726 3084289 TimTec1_002910 O=C(NCc1ccccc1)C2CC2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 E07 compound treatment 1.201 0.17 1.76 1.201 0.27 2.88 3.2841 0.9723 3209510 TimTec1_002911 COC(=O)C1=CN(CC2(CC3CC4CC(C3)C2)C4)C=C(C1c5cccs5)C(=O)OC 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 E08 compound treatment 1.031 3.44E-4 0.0 0.93 -0.00141 -0.02 -0.0081 -0.525 1872860 TimTec1_002912 CN(CCc1ccc(C)[n+]([O-])c1)C(=O)C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 E09 compound treatment 1.055 0.0243 0.25 0.96 0.0286 0.31 0.3943 0.9955 1384251 TimTec1_002913 C1CN(CCO1)c2ncnc(n2)N3CCOCC3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 E10 compound treatment 0.986 -0.0447 -0.46 0.869 -0.0624 -0.67 -0.7985 -0.984 1653066 TimTec1_002914 Cc1ccc(OCC(=O)Oc2ccc(C)cc2)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 E11 compound treatment 0.57 -0.461 -4.77 0.412 -0.519 -5.55 -7.2973 -0.9972 3209511 TimTec1_002915 Cc1sc([s+]c1SCCC(=O)O)N2CCCCC2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 E12 compound treatment 0.7 -0.331 -3.42 0.604 -0.327 -3.5 -4.8949 -0.9999 1739781 TimTec1_002916 Clc1ccc(OCC(=O)Oc2ccccc2)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 E13 compound treatment 1.091 0.0603 0.62 0.978 0.0466 0.5 0.7939 0.9936 1256719 TimTec1_002917 Clc1ccccc1CC2OC(=O)c3c2cc[nH]c3=O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 E14 compound treatment 1.042 0.0113 0.12 0.901 -0.0304 -0.32 -0.1466 -0.4245 1005147 TimTec1_002918 COc1ccc(OCC(=O)O)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 E15 compound treatment 0.133 -0.898 -9.3 0.099 -0.832 -8.89 -12.8622 -0.9998 3083277 TimTec1_002919 O=C(NCCOC1(CC2CC3CC(C2)C1)C3)c4cc5ccccc5oc4=O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 E16 compound treatment 1.121 0.0903 0.94 1.088 0.157 1.67 1.8446 0.9623 3083279 TimTec1_002920 Cc1ccc(cc1)C(=O)NCCC2=CCCCC2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 E17 compound treatment 1.105 0.0743 0.77 1.074 0.143 1.52 1.6216 0.95 3209512 TimTec1_002921 O=C(COc1cccc(NC(=O)c2ccccc2)c1)NCCOc3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 E18 compound treatment 1.008 -0.0227 -0.23 0.908 -0.0234 -0.25 -0.3427 -0.9995 1330948 TimTec1_002922 OC(=O)CCC(=O)N1CCc2ccccc12 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 E19 compound treatment 0.995 -0.0357 -0.37 0.938 0.00659 0.07 -0.2113 -0.5621 1780563 TimTec1_002923 OC(=O)CNC(=O)c1cc(=O)[nH]c(=O)[nH]1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 E20 compound treatment 1.013 -0.0177 -0.18 0.961 0.0296 0.32 0.0943 0.2581 1661667 TimTec1_002924 COc1ccc(CC(=O)Nc2ccc(OC)cc2)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 E21 compound treatment 1.08 0.0493 0.51 0.968 0.0366 0.39 0.6378 0.9912 3083283 TimTec1_002925 COc1nsc(NN)c1C#N 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 E22 compound treatment 1.19 0.159 1.65 1.201 0.27 2.88 3.2035 0.9651 3083284 TimTec1_002926 Cc1cc(C)n(n1)C(=O)CNc2cccc(Cl)c2C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 E23 mock treatment 0.991 -0.0397 -0.41 0.939 0.00759 0.08 -0.2331 -0.5567 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 E24 mock treatment 1.098 0.0673 0.7 0.904 -0.0274 -0.29 0.2862 0.3783 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 F01 compound treatment 1.162 0.131 1.36 1.137 0.206 2.2 2.515 0.9735 1189735 TimTec1_002927 CCOc1ccc(NC(=O)CCC(=O)n2nc(C)cc2C)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 F02 compound treatment 1.112 0.0813 0.84 1.06 0.129 1.37 1.5671 0.9724 1346484 TimTec1_002928 OCCN1CCN(CC1)S(=O)(=O)c2ccccc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 F03 compound treatment 1.117 0.0863 0.89 1.108 0.177 1.89 1.9664 0.9418 1244795 TimTec1_002929 O=C(Nc1ccc(cc1)S(=O)(=O)N2CCCC2)c3ccc(COc4ccc5CCCc5c4)cc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 F04 compound treatment 1.151 0.12 1.25 1.109 0.178 1.9 2.2229 0.9792 3083288 TimTec1_002930 Brc1ccc(cc1)C(=O)NCC#N 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 F05 compound treatment 1.142 0.111 1.15 1.132 0.201 2.14 2.3308 0.9578 1551713 TimTec1_002931 CC1=NN(C(=O)C1)c2ccc(cc2)C(=O)O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 F06 compound treatment 1.158 0.127 1.32 1.148 0.217 2.31 2.5688 0.9645 1278318 TimTec1_002932 Cc1cccc(NC(=O)c2cccnc2)c1C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 F07 compound treatment 1.101 0.0703 0.73 1.029 0.0976 1.04 1.2524 0.9846 3209639 TimTec1_002933 COc1ccc(NC(=O)n2ccc(n2)C(=O)N3CCOCC3)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 F08 compound treatment 0.981 -0.0497 -0.51 0.903 -0.0284 -0.3 -0.5782 -0.9683 3083290 TimTec1_002934 CC1CC(C)CN(C1)C(=O)c2cccs2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 F09 compound treatment 1.102 0.0713 0.74 1.07 0.139 1.48 1.5695 0.9484 3209640 TimTec1_002935 C/C(=C\c1ccco1)/C=N/N2CCN(CC2)c3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 F10 compound treatment 1.19 0.159 1.65 1.177 0.246 2.62 3.0222 0.975 3083291 TimTec1_002936 CC(C)CNS(=O)(=O)c1ccc(F)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 F11 compound treatment 1.171 0.14 1.45 1.16 0.229 2.44 2.7547 0.9693 3209641 TimTec1_002937 Sc1nnc(c2cccnc2)n1/N=C/C=C/c3ccco3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 F12 compound treatment 1.112 0.0813 0.84 1.058 0.127 1.35 1.552 0.9741 3083293 TimTec1_002938 CC(C)NC(=O)c1ccc(C)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 F13 compound treatment 1.038 0.00734 0.08 0.961 0.0296 0.32 0.2773 0.8529 1394669 TimTec1_002939 OC(=O)COc1ccc(NS(=O)(=O)c2cccc3nsnc23)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 F14 compound treatment 1.073 0.0423 0.44 1.011 0.0796 0.85 0.9114 0.9526 1007338 TimTec1_002940 CS(=O)(=O)NC(c1ccccc1)c2ccccc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 F15 compound treatment 1.068 0.0373 0.39 1.012 0.0806 0.86 0.8823 0.9348 1623851 TimTec1_002941 CN1CCC2C(C1)c3cc(C)ccc3N2C(=O)Cn4nnc(n4)c5ccccc5C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 F16 compound treatment 1.204 0.173 1.8 1.226 0.295 3.15 3.4949 0.9646 3083330 TimTec1_002942 CCC1CCCCN1S(=O)(=O)c2ccc(Cl)cc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 F17 compound treatment 1.071 0.0403 0.42 1.059 0.128 1.36 1.2593 0.8833 3209642 TimTec1_002943 O=C(Cn1cc(/C=C\2/C(=O)NC(=O)N(Cc3ccco3)C2=O)c4ccccc14)NCC5CCCO5 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 F18 compound treatment 1.401 0.37 3.84 1.42 0.489 5.22 6.4032 0.9885 1208206 TimTec1_002944 Fc1ccc(cc1)C(=O)N2CCc3ccccc3C2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 F19 compound treatment 0.58 -0.451 -4.67 0.426 -0.505 -5.4 -7.1183 -0.9974 3083297 TimTec1_002945 COc1ccc(cc1)/C(=C/C2=NC(C)(C)CO2)/N 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 F20 compound treatment 1.042 0.0113 0.12 0.945 0.0136 0.15 0.1858 0.9945 3209643 TimTec1_002946 COC(=O)c1ccc(NC(=O)C(C)C)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 F21 compound treatment 1.146 0.115 1.19 1.147 0.216 2.3 2.4734 0.9533 1165003 TimTec1_002947 CC1=C(C)CC(C(C1)C(=O)O)C(=O)Nc2ccc3c(c2)oc4ccccc43 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 F22 compound treatment 1.206 0.175 1.82 1.183 0.252 2.69 3.1847 0.9818 1151238 TimTec1_002948 O=S(=O)(Cc1ccccc1)N2CCCCCC2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 F23 mock treatment 1.029 -0.00166 -0.02 0.923 -0.00841 -0.09 -0.0756 -0.8272 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 F24 mock treatment 1.058 0.0273 0.28 0.922 -0.00941 -0.1 0.1292 0.4299 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 G01 compound treatment 1.122 0.0913 0.95 1.096 0.165 1.76 1.9123 0.9577 1275078 TimTec1_002949 CCOC(=O)C1CCN(CC1)S(=O)(=O)c2nc3nc(C)cc(C)n3n2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 G02 compound treatment 1.189 0.158 1.64 1.088 0.157 1.67 2.3426 1.0 3209644 TimTec1_002950 CCCCc1[nH]nc2OC(=C(C#N)C3(CCCCC3)c12)N 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 G03 compound treatment 1.132 0.101 1.05 1.128 0.197 2.1 2.2273 0.9486 1154081 TimTec1_002951 COC(=O)Nc1c(Cl)nsc1S(=O)(=O)Cc2ccccc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 G04 compound treatment 1.12 0.0893 0.93 1.093 0.162 1.73 1.875 0.9573 1466731 TimTec1_002952 Cc1ccc(OC(=O)CCC(=O)Nc2cccc(C#N)c2)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 G05 compound treatment 1.219 0.188 1.95 1.156 0.225 2.4 3.076 0.9947 1082369 TimTec1_002953 NCCNC1(CC2CC3CC(C2)C1)C3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 G06 compound treatment 1.345 0.314 3.26 1.253 0.322 3.44 4.7315 0.9996 3209645 TimTec1_002954 NC(=O)c1ccccc1NC(=O)CCCOc2ccc(Cl)cc2Cl 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 G07 compound treatment 1.017 -0.0137 -0.14 0.942 0.0106 0.11 -0.02 -0.1103 1419997 TimTec1_002955 Fc1ccc(OCC(=O)n2cnc3ccccc23)c(F)c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 G08 compound treatment 1.069 0.0383 0.4 1.025 0.0936 1.0 0.9878 0.9182 1305850 TimTec1_002956 CC(NC(=O)c1ccncc1)c2ccccc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 G09 compound treatment 0.518 -0.513 -5.31 0.319 -0.612 -6.54 -8.3807 -0.9946 1253485 TimTec1_002957 O=C(Nc1ccccc1)c2scc3CCCCc23 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 G10 compound treatment 0.625 -0.406 -4.2 0.42 -0.511 -5.46 -6.8341 -0.9916 1154113 TimTec1_002958 COC(=O)C1CNCCN1c2ccccc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 G11 compound treatment 1.091 0.0603 0.62 0.964 0.0326 0.35 0.6882 0.9619 1479855 TimTec1_002959 Nc1cc(O)nc(SCC(=O)NC2CCCCC2)n1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 G12 compound treatment 1.034 0.00334 0.03 0.965 0.0336 0.36 0.2783 0.7718 3083867 TimTec1_002960 CC1CCN(CC1)S(=O)(=O)c2ccc(/N=C/3\C(=O)Nc4ccccc34)cc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 G13 compound treatment 1.043 0.0123 0.13 0.989 0.0576 0.62 0.5255 0.8362 1231567 TimTec1_002961 O=C1Nc2ccccc2C1C3Sc4ccccc4NC3=O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 G14 compound treatment 0.695 -0.336 -3.48 0.545 -0.386 -4.13 -5.3772 -0.9963 3083940 TimTec1_002962 O=c1ccn([nH]1)c2ccccc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 G15 compound treatment 1.211 0.18 1.87 1.186 0.255 2.72 3.244 0.9832 3083942 TimTec1_002963 COC(=O)c1ccc2CCc3cccc1c32 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 G16 compound treatment 1.137 0.106 1.1 1.072 0.141 1.5 1.8409 0.9884 3083945 TimTec1_002964 Clc1ccc(cc1)C(=O)NCCC2=CCCCC2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 G17 compound treatment 1.031 3.44E-4 0.0 0.988 0.0566 0.6 0.43 0.7113 3083946 TimTec1_002965 Cc1ccc(cc1)S(=O)(=O)NCCSc2nnnn2C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 G18 compound treatment 0.526 -0.505 -5.23 0.42 -0.511 -5.46 -7.5591 -0.9998 3209646 TimTec1_002966 CC1=NN(C(=S)N)C(=O)C1C(C(C#N)C#N)c2ccccc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 G19 compound treatment 1.154 0.123 1.28 1.09 0.159 1.69 2.1014 0.9903 1312727 TimTec1_002967 COc1ccccc1C(CC(=O)N2CCCC2)c3ccc4OCOc4c3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 G20 compound treatment 1.056 0.0253 0.26 0.955 0.0236 0.25 0.3638 0.9998 1605427 TimTec1_002968 Cc1ccccc1NC(=O)CCC(=O)Nc2ccccc2C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 G21 compound treatment 1.02 -0.0107 -0.11 0.918 -0.0134 -0.14 -0.1793 -0.9917 3209647 TimTec1_002969 CCC1CCc2nc3sc(C(=O)NCCc4ccc(OC)cc4)c(N)c3cc2C1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 G22 compound treatment 1.013 -0.0177 -0.18 0.962 0.0306 0.33 0.1018 0.2718 1624978 TimTec1_002970 O=C(Nc1ccccc1)Nc2ccc(Nc3ccccc3)cc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 G23 mock treatment 0.973 -0.0577 -0.6 0.896 -0.0354 -0.38 -0.6897 -0.9757 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 G24 mock treatment 1.055 0.0243 0.25 0.872 -0.0594 -0.63 -0.2705 -0.3961 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 H01 compound treatment 1.25 0.219 2.27 1.244 0.313 3.34 3.9678 0.9824 1612290 TimTec1_002971 O=C(CCCC(=O)N1CCCc2ccccc12)N3CCCc4ccccc34 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 H02 compound treatment 1.268 0.237 2.46 1.273 0.342 3.65 4.3187 0.9815 1583605 TimTec1_002972 CC1CCCCN1S(=O)(=O)c2ccc(Cl)cc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 H03 compound treatment 1.146 0.115 1.19 1.193 0.262 2.79 2.8209 0.9281 3209648 TimTec1_002973 NC(=O)c1ccccc1NC(=O)c2cccc(COc3ccc4CCCc4c3)c2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 H04 compound treatment 1.13 0.0993 1.03 1.098 0.167 1.78 1.986 0.9661 1192634 TimTec1_002974 CCOc1ccccc1NC(=O)c2ccc(C)cc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 H05 compound treatment 1.145 0.114 1.18 1.104 0.173 1.84 2.1412 0.9771 1045732 TimTec1_002975 O=P(c1ccccc1)c2ccccc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 H06 compound treatment 1.148 0.117 1.22 1.112 0.181 1.93 2.2236 0.9752 1524458 TimTec1_002976 CCN(Cc1ccccc1)C(=O)c2cccnc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 H07 compound treatment 1.255 0.224 2.32 1.248 0.317 3.38 4.0346 0.9832 3209649 TimTec1_002977 Clc1ccc(NC(=O)c2cc[nH]n2)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 H08 compound treatment 1.203 0.172 1.78 1.19 0.259 2.76 3.2156 0.9777 1548424 TimTec1_002978 OCCN(Cc1ccccc1)S(=O)(=O)c2ccccc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 H09 compound treatment 1.084 0.0533 0.55 0.982 0.0506 0.54 0.7729 0.9999 3209650 TimTec1_002979 C(N1CCN(CC1)/N=C/c2ccco2)c3cccc4ccccc34 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 H10 compound treatment 1.041 0.0103 0.11 0.988 0.0566 0.6 0.5033 0.8196 3083954 TimTec1_002980 Clc1ccc(Cl)c(c1)S(=O)(=O)N(CC#N)CC#N 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 H11 compound treatment 1.254 0.223 2.31 1.122 0.191 2.04 3.0755 0.998 3209651 TimTec1_002981 Sc1nnc(C2CCCCC2)n1/N=C\c3ccncc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 H12 compound treatment 1.215 0.184 1.91 1.188 0.257 2.74 3.2884 0.9844 3209652 TimTec1_002982 CCCN(CCC)C(=O)c1ccccc1Cl 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 H13 compound treatment 0.726 -0.305 -3.16 0.591 -0.34 -3.64 -4.8027 -0.9975 3083957 TimTec1_002983 Fc1ccc(cc1)c2csc(n2)N3CCN(C/C=C\c4ccccc4)CC3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 H14 compound treatment 1.061 0.0303 0.31 1.046 0.115 1.22 1.0879 0.8607 1721421 TimTec1_002984 CCC1CCCCN1C(=O)c2ccc(OC)cc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 H15 compound treatment 1.137 0.106 1.1 1.105 0.174 1.85 2.0902 0.969 1628659 TimTec1_002985 CC(=O)N(CCc1c(C)[nH]c2ccccc12)C(C(=O)Nc3c(C)cccc3C)c4ccc(Cl)cc4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 H16 compound treatment 1.072 0.0413 0.43 1.045 0.114 1.21 1.1609 0.9021 1214933 TimTec1_002986 Cc1cc(C)c(c(C)c1)S(=O)(=O)N2CCCc3ccccc23 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 H17 compound treatment 0.426 -0.605 -6.26 0.316 -0.615 -6.57 -9.0771 -0.9997 3209772 TimTec1_002987 Cc1cc(ccc1Br)c2ccc(/C=C\3/C(=O)NC(=O)N(C4CCCCC4)C3=O)o2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 H18 compound treatment 1.156 0.125 1.3 1.042 0.111 1.18 1.7534 0.9989 3084027 TimTec1_002988 CC(C)NC(=O)c1ccc(F)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 H19 compound treatment 1.197 0.166 1.72 1.197 0.266 2.84 3.2246 0.9714 1265488 TimTec1_002989 Clc1ccc(CN(CC(=O)N2CCCC2)S(=O)(=O)c3ccccc3)c(Cl)c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 H20 compound treatment 1.173 0.142 1.47 1.128 0.197 2.1 2.5276 0.985 3084032 TimTec1_002990 CC(C)C(=O)Nc1nc2ccccc2s1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 H21 compound treatment 1.227 0.196 2.03 1.213 0.282 3.01 3.5652 0.9818 1077722 TimTec1_002991 Cc1ccc(cc1)S(=O)(=O)NCC=C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 H22 compound treatment 1.116 0.0853 0.88 1.114 0.183 1.95 2.0044 0.9359 1060751 TimTec1_002992 O=S(=O)(Cc1ccccc1)NC2CCCCC2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 H23 mock treatment 1.011 -0.0197 -0.2 0.899 -0.0324 -0.35 -0.3888 -0.968 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 H24 mock treatment 0.998 -0.0327 -0.34 0.909 -0.0224 -0.24 -0.4084 -0.9857 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 I01 compound treatment 1.171 0.14 1.45 1.166 0.235 2.51 2.8 0.9664 1532792 TimTec1_002993 CC(C)CCN1NC(C)(C)NC1=S 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 I02 compound treatment 1.21 0.179 1.86 1.176 0.245 2.61 3.1611 0.986 3209773 TimTec1_002994 Clc1ccc(OCCCC(=O)Nc2nccs2)c(Cl)c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 I03 compound treatment 1.032 0.00134 0.01 0.956 0.0246 0.26 0.1956 0.7435 1336661 TimTec1_002995 CC1(C)CC(CC(C)(C)N1)NC2CCCCC2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 I04 compound treatment 0.941 -0.0897 -0.93 0.956 0.0246 0.26 -0.4708 -0.4879 1482766 TimTec1_002996 Cc1cccc(OCC(=O)Nc2ccccc2)c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 I05 compound treatment 1.119 0.0883 0.91 1.065 0.134 1.43 1.6562 0.9769 1626149 TimTec1_002997 Cc1[nH]c2ccccc2c1CCN 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 I06 compound treatment 1.39 0.359 3.72 1.374 0.443 4.73 5.9751 0.993 3209774 TimTec1_002998 COC(=O)c1ccc(OC)c(Br)c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 I07 compound treatment 1.134 0.103 1.07 1.002 0.0706 0.75 1.2901 0.9853 1162114 TimTec1_002999 COc1ccc(cc1)C(NC(=O)C2CC=CCC2C(=O)O)c3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 I08 compound treatment 1.014 -0.0167 -0.17 0.98 0.0486 0.52 0.2451 0.448 1581961 TimTec1_003000 OC(=O)CCC(=O)c1c[nH]c2ccccc12 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 I09 compound treatment 1.105 0.0743 0.77 1.011 0.0796 0.85 1.1457 0.9988 3209775 TimTec1_003001 Cc1[nH]c2cc3c(cc(=O)[nH]c3cc2c1C)C(F)(F)F 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 I10 compound treatment 1.262 0.231 2.4 1.157 0.226 2.41 3.3984 1.0 1329961 TimTec1_003002 OC(=O)C1C(C2CC1C=C2)C(=O)OCC3CCCO3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 I11 compound treatment 0.975 -0.0557 -0.58 0.924 -0.00741 -0.08 -0.4635 -0.7967 3209776 TimTec1_003003 Sc1nnnn1C2CCCC2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 I12 compound treatment 1.098 0.0673 0.7 0.977 0.0456 0.49 0.8376 0.9846 1562475 TimTec1_003004 O=C(CCCC(=O)Nc1ccccc1C#N)Nc2ccccc2C#N 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 I13 compound treatment 1.125 0.0943 0.98 0.935 0.00359 0.04 0.7181 0.7343 3084037 TimTec1_003005 CCSc1nnc(C)c(O)n1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 I14 compound treatment 1.246 0.215 2.23 1.229 0.298 3.18 3.8252 0.985 1850983 TimTec1_003006 O=C(Cc1cccc2ccccc12)Nc3ccc(cc3)S(=O)(=O)N4CCCC4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 I15 compound treatment 1.032 0.00134 0.01 0.931 -4.06E-4 0.0 0.0068 0.4645 1481588 TimTec1_003007 O=C(NCN1CCCCC1)C2(CC3CC4CC(C3)C2)C4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 I16 compound treatment 1.201 0.17 1.76 1.125 0.194 2.07 2.71 0.9969 3084039 TimTec1_003008 Clc1ccc(NC(=O)NCC=C)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 I17 compound treatment 1.084 0.0533 0.55 0.971 0.0396 0.42 0.6898 0.9913 3209777 TimTec1_003009 CCOC(=O)/C(=N/O)/C1=NC2(C)CCCCC2c3ccccc13 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 I18 compound treatment 1.099 0.0683 0.71 1.028 0.0966 1.03 1.2302 0.9831 1346661 TimTec1_003010 NC(=O)CSc1nc2CCCCc2cc1C#N 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 I19 compound treatment 1.024 -0.00666 -0.07 0.815 -0.116 -1.24 -0.9281 -0.7452 3209778 TimTec1_003011 CC1(C)Cc2c(cnn2c3ccc(F)cc3)-c4nc5ccccc5nc41 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 I20 compound treatment 1.236 0.205 2.13 1.21 0.279 2.98 3.6084 0.9864 3209779 TimTec1_003012 O=C1C2CC=CCC2C(=O)N1c3cccc4ccccc34 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 I21 compound treatment 1.439 0.408 4.23 1.441 0.51 5.44 6.8401 0.9922 3084043 TimTec1_003013 CSc1nc(cc(c1C#N)C(F)(F)F)c2ccco2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 I22 compound treatment 1.126 0.0953 0.99 1.027 0.0956 1.02 1.4204 0.9999 1352505 TimTec1_003014 NC(=O)c1c(NC(=O)Nc2ccccc2)sc3CCCCc13 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 I23 mock treatment 1.049 0.0183 0.19 0.924 -0.00741 -0.08 0.0784 0.3809 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 I24 mock treatment 1.028 -0.00266 -0.03 0.925 -0.00641 -0.07 -0.0678 -0.9198 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 J01 compound treatment 1.17 0.139 1.44 1.147 0.216 2.3 2.6491 0.9746 1181166 TimTec1_003015 Cc1cc(C)cc(NC(=O)CCCC(=O)Nc2cc(C)cc(C)c2)c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 J02 compound treatment 1.239 0.208 2.16 1.187 0.256 2.73 3.4566 0.9932 3209780 TimTec1_003016 COc1ccc(cc1)S(=O)(=O)N(C)C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 J03 compound treatment 1.256 0.225 2.33 1.257 0.326 3.48 4.1099 0.9812 3209781 TimTec1_003017 COC(=O)c1c(NC(=O)C2CC2c3ccccc3)scc1c4ccc(OC)c(OC)c4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 J04 compound treatment 0.835 -0.196 -2.03 0.817 -0.114 -1.22 -2.2971 -0.9707 3084046 TimTec1_003018 CC1CC(C)CN(C1)C(=O)c2ccc(C)cc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 J05 compound treatment 0.521 -0.51 -5.28 0.366 -0.565 -6.04 -8.0037 -0.9977 1016006 TimTec1_003019 C(Cc1ccccc1)NCc2ccccc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 J06 compound treatment 1.149 0.118 1.23 1.062 0.131 1.4 1.8532 0.9979 1618846 TimTec1_003020 O=C(N(CC#N)CC#N)c1cccc(c1)C(=O)N(CC#N)CC#N 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 J07 compound treatment 1.112 0.0813 0.84 1.055 0.124 1.32 1.5294 0.9764 1010630 TimTec1_003021 NC(=N)Nc1nc2ccccc2o1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 J08 compound treatment 1.257 0.226 2.34 1.265 0.334 3.56 4.1777 0.9794 3084116 TimTec1_003022 CC1CCCN(C1)S(=O)(=O)c2ccccc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 J09 compound treatment 1.161 0.13 1.35 1.173 0.242 2.58 2.7796 0.9543 3209782 TimTec1_003023 C1CN(CCN1N=Cc2cccs2)C3c4ccccc4-c5ccccc35 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 J10 compound treatment 1.097 0.0663 0.69 1.069 0.138 1.47 1.5253 0.94 3084118 TimTec1_003024 Clc1ccc(Cl)c(c1)S(=O)(=O)NCC#N 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 J11 compound treatment 1.279 0.248 2.57 1.239 0.308 3.29 4.1424 0.9927 3209783 TimTec1_003025 Cn1cccc1/C=N/n2c(S)nnc2COc3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 J12 compound treatment 1.079 0.0483 0.5 0.978 0.0466 0.5 0.706 1.0 1268911 TimTec1_003026 CCN(CC)C(=O)c1cccc(c1)C(=O)N(CC)CC 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 J13 compound treatment 1.131 0.1 1.04 1.115 0.184 1.96 2.1218 0.9559 1161626 TimTec1_003027 CN(C(=O)CSc1nc2ccccc2o1)C3(CCCCC3)C(=O)Nc4c(C)cccc4C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 J14 compound treatment 1.081 0.0503 0.52 0.984 0.0526 0.56 0.766 0.9993 1594441 TimTec1_003028 O=C(Cc1ccccc1)NCc2ccncc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 J15 compound treatment 1.296 0.265 2.75 1.273 0.342 3.65 4.5237 0.9902 1323967 TimTec1_003029 CCOC(=O)c1c(C)n(c2ccccc2)c3ccc4OCN(Cc5ccccc5)Cc4c13 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 J16 compound treatment 0.793 -0.238 -2.46 0.741 -0.19 -2.03 -3.1789 -0.9955 1294833 TimTec1_003030 Cc1cc(C)c(c(C)c1)S(=O)(=O)N2CCc3ccccc23 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 J17 compound treatment 1.153 0.122 1.27 1.094 0.163 1.74 2.1243 0.988 3209784 TimTec1_003031 Cc1ccc(OCCCn2cc(/C=C\3/C(=O)NC(=O)N(C4CCCCC4)C3=O)c5ccccc25)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 J18 compound treatment 1.066 0.0353 0.37 1.044 0.113 1.2 1.1094 0.8823 3084123 TimTec1_003032 CCC1CCCCN1C(=O)c2ccc(F)cc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 J19 compound treatment 1.23 0.199 2.06 1.183 0.252 2.69 3.3605 0.9915 3209785 TimTec1_003033 Cc1cccc(C)c1NCc2nnc(S)n2c3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 J20 compound treatment 1.11 0.0793 0.82 1.048 0.117 1.25 1.4619 0.9796 3084125 TimTec1_003034 CC(C)C(=O)N1CC(C)OC(C)C1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 J21 compound treatment 1.133 0.102 1.06 0.99 0.0586 0.63 1.1921 0.9684 3209786 TimTec1_003035 O=C(NCCCN1CCOCC1)c2ccccc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 J22 compound treatment 1.163 0.132 1.37 1.14 0.209 2.23 2.545 0.9728 1472519 TimTec1_003036 O=S(=O)(Cc1ccccc1)NCc2ccccc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 J23 mock treatment 1.007 -0.0237 -0.25 0.941 0.00959 0.1 -0.1008 -0.3794 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 J24 mock treatment 0.984 -0.0467 -0.48 0.971 0.0396 0.42 -0.0426 -0.0663 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 K01 compound treatment 0.281 -0.75 -7.76 0.246 -0.685 -7.32 -10.6678 -0.9996 3209787 TimTec1_003037 Cc1[nH]c2ccc(OC(F)(F)F)cc2c1CCNC(=O)c3c(Cl)cnn3C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 K02 compound treatment 1.192 0.161 1.67 1.139 0.208 2.22 2.7498 0.9903 1741001 TimTec1_003038 CC(=O)NS(=O)(=O)c1ccc(NC(=O)COc2ccc(Cl)cc2C)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 K03 compound treatment 1.135 0.104 1.08 1.137 0.206 2.2 2.3173 0.9466 1674832 TimTec1_003039 Cc1ccc2c3C(C4CCC=CC4)C5=C(CCCC5=O)Nc3ccc2n1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 K04 compound treatment 0.918 -0.113 -1.17 0.842 -0.0894 -0.96 -1.5004 -0.9951 1039966 TimTec1_003040 Cc1cc(Br)ccc1OCC(=O)O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 K05 compound treatment 1.255 0.224 2.32 1.224 0.293 3.13 3.8533 0.9893 3084130 TimTec1_003041 C=CCNC(=O)c1scc2CCCCc12 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 K06 compound treatment 1.189 0.158 1.64 1.117 0.186 1.98 2.5617 0.9956 1150301 TimTec1_003042 COC(=O)CCC(=O)Nc1ccc(cc1)S(=O)(=O)Nc2cc(C)cc(C)c2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 K07 compound treatment 1.09 0.0593 0.61 1.038 0.107 1.14 1.2398 0.9581 3084131 TimTec1_003043 FC(F)(F)C(=C(C#N)C#N)NC1(CC2CC3CC(C2)C1)C3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 K08 compound treatment 1.051 0.0203 0.21 1.043 0.112 1.19 0.992 0.8194 1711851 TimTec1_003044 OC(=O)CCCC(=O)c1c[nH]c2ccccc12 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 K09 compound treatment 1.09 0.0593 0.61 0.989 0.0576 0.62 0.8697 1.0 1235296 TimTec1_003045 COC(=O)c1cc(=O)c2c(C)nc(nc2[nH]1)c3ccc(Cl)cc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 K10 compound treatment 1.272 0.241 2.5 1.238 0.307 3.28 4.0836 0.9911 1402776 TimTec1_003046 COc1ccc(cc1)N2C(=O)C3CC=CCC3C2=O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 K11 compound treatment 1.277 0.246 2.55 1.293 0.362 3.86 4.5357 0.9797 3084204 TimTec1_003047 COc1ccccc1C(=O)NCCOc2ccc(C)c(C)c2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 K12 compound treatment 1.153 0.122 1.27 1.023 0.0916 0.98 1.5879 0.9918 1478099 TimTec1_003048 O=C(CCCC(=O)Nc1cccc(C#N)c1)Nc2cccc(C#N)c2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 K13 compound treatment 1.487 0.456 4.73 1.528 0.597 6.37 7.8488 0.9892 1420277 TimTec1_003049 CCOc1nc(NCCC2=CCCCC2)nc(OCC)n1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 K14 compound treatment 1.017 -0.0137 -0.14 1.001 0.0696 0.74 0.4257 0.5625 3209907 TimTec1_003050 OC(=O)[C@H]1CCCC[C@H]1C(=O)N[C@H]2CCCC[C@@H]2NC(=O)[C@H]3CCCC[C@H]3C(=O)O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 K15 compound treatment 0.543 -0.488 -5.05 0.327 -0.604 -6.46 -8.1372 -0.9926 1327396 TimTec1_003051 Oc1nc2ccccc2nc1C(=S)N3CCOCC3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 K16 compound treatment 0.945 -0.0857 -0.89 0.873 -0.0584 -0.62 -1.0685 -0.9852 1197923 TimTec1_003052 Cc1cc(C)cc(NC(=O)c2ccccc2C(=O)O)c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 K17 compound treatment 1.18 0.149 1.55 1.167 0.236 2.52 2.8735 0.9727 1529000 TimTec1_003053 CC1CCN(CC1)S(=O)(=O)Cc2ccccc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 K18 compound treatment 1.107 0.0763 0.79 1.075 0.144 1.53 1.6438 0.9525 1041191 TimTec1_003054 NCCc1nc2ccccc2[nH]1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 K19 compound treatment 1.109 0.0783 0.81 0.918 -0.0134 -0.14 0.4725 0.5734 1201759 TimTec1_003055 Cc1nc2cccc(C(=O)O)c2o1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 K20 compound treatment 0.988 -0.0427 -0.44 0.918 -0.0134 -0.14 -0.4137 -0.8907 1725455 TimTec1_003056 OC(=O)CSc1nc2CCCc2cc1C#N 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 K21 compound treatment 1.166 0.135 1.4 1.116 0.185 1.97 2.3857 0.986 3209908 TimTec1_003057 Cc1ccc(cc1)S(=O)(=O)CCSc2nc(cc(c2C#N)C(F)(F)F)C3CC3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 K22 compound treatment 1.082 0.0513 0.53 0.995 0.0636 0.68 0.8564 0.9927 1144928 TimTec1_003058 OC(=O)c1ccccc1C(=O)NCC2CCCO2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 K23 mock treatment 1.021 -0.00966 -0.1 0.938 0.00659 0.07 -0.0209 -0.1709 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 K24 mock treatment 1.036 0.00534 0.06 0.977 0.0456 0.49 0.3836 0.7824 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 L01 compound treatment 1.265 0.234 2.43 1.279 0.348 3.71 4.342 0.9788 1440528 TimTec1_003059 CCN(CC)C(=O)COc1ccc2ccccc2c1Br 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 L02 compound treatment 1.288 0.257 2.67 1.283 0.352 3.76 4.5407 0.9859 1517728 TimTec1_003060 CS(=O)(=O)N(Cc1ccccc1)Cc2ccccc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 L03 compound treatment 1.128 0.0973 1.01 1.044 0.113 1.2 1.5635 0.9961 3209909 TimTec1_003061 Cc1nn(Cc2cccc3ccccc23)c(C)c1NC(=O)C4CC4c5ccccc5 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 L04 compound treatment 1.126 0.0953 0.99 1.151 0.22 2.35 2.3571 0.9261 3084214 TimTec1_003062 CCCNC(=O)c1ccccc1Br 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 L05 compound treatment 1.139 0.108 1.12 1.045 0.114 1.21 1.6516 0.9992 1514538 TimTec1_003063 O=C1OC(C2OC(=O)c3ccccc23)c4ccccc14 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 L06 compound treatment 1.022 -0.00866 -0.09 0.99 0.0586 0.63 0.3792 0.5997 3084215 TimTec1_003064 FC(F)(F)c1ccccc1NC(=O)c2cccs2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 L07 compound treatment 1.326 0.295 3.06 1.345 0.414 4.42 5.2873 0.9839 3209910 TimTec1_003065 CC(=C)CSc1nnc(SCc2cccc3ccccc23)s1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 L08 compound treatment 1.151 0.12 1.25 1.125 0.194 2.07 2.3438 0.9706 1626374 TimTec1_003066 O=S(=O)(N(Cc1ccccc1)c2ccccn2)c3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 L09 compound treatment 1.117 0.0863 0.89 1.062 0.131 1.4 1.6189 0.9769 3084216 TimTec1_003067 Cn1cccc1C=NN2CCN(CC2)C3c4ccccc4-c5ccccc35 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 L10 compound treatment 1.007 -0.0237 -0.25 0.891 -0.0404 -0.43 -0.4785 -0.964 3209911 TimTec1_003068 Clc1ccc(Cl)c(c1)S(=O)(=O)NCCCn2ccnc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 L11 compound treatment 1.238 0.207 2.15 1.226 0.295 3.15 3.7439 0.9826 1381409 TimTec1_003069 O=C(Nc1cccc(OC(=O)c2cccc(c2)S(=O)(=O)N3CCOCC3)c1)c4cccs4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 L12 compound treatment 1.314 0.283 2.93 1.321 0.39 4.16 5.0182 0.9854 3084218 TimTec1_003070 CCN(CC)S(=O)(=O)c1ccc(OC)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 L13 compound treatment 0.382 -0.649 -6.72 0.384 -0.547 -5.85 -8.8857 -0.9976 1122440 TimTec1_003071 Clc1ccc(C(=O)n2c(=O)oc3cc(ccc23)S(=O)(=O)N4CCCCC4)c(Cl)c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 L14 compound treatment 1.333 0.302 3.13 1.333 0.402 4.29 5.248 0.988 3209912 TimTec1_003072 O=C(Cc1ccccc1)N2CCCc3ccccc23 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 L15 compound treatment 1.117 0.0863 0.89 1.01 0.0786 0.84 1.2261 0.9995 3209913 TimTec1_003073 CC(C)c1ccc(cc1)S(=O)(=O)NCCOC2(CC3CC4CC(C3)C2)C4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 L16 compound treatment 0.967 -0.0637 -0.66 0.955 0.0236 0.25 -0.288 -0.408 1425735 TimTec1_003074 CS(=O)(=O)N1CCC(Cc2ccccc2)CC1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 L17 compound treatment 0.788 -0.243 -2.51 0.625 -0.306 -3.27 -4.0918 -0.9915 3209914 TimTec1_003075 O=C(Nc1ccc(cc1)N2CCCC2)/C=C/c3ccco3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 L18 compound treatment 1.182 0.151 1.57 1.171 0.24 2.56 2.9183 0.9723 3084222 TimTec1_003076 CC(C)C(=O)Nc1ccccc1C(F)(F)F 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 L19 compound treatment 0.982 -0.0487 -0.5 0.968 0.0366 0.39 -0.0799 -0.1253 1413251 TimTec1_003077 O=C(Oc1ccc(OCc2ccccc2)cc1)c3ccc(cc3)n4cnnn4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 L20 compound treatment 1.209 0.178 1.85 1.203 0.272 2.9 3.3578 0.9762 3084296 TimTec1_003078 CN(c1ccccc1)S(=O)(=O)Cc2ccccc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 L21 compound treatment 1.009 -0.0217 -0.22 0.921 -0.0104 -0.11 -0.2372 -0.9476 1393226 TimTec1_003079 CC(=O)Nc1ccc(cc1)S(=O)(=O)NC2CCCC2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 L22 compound treatment 1.112 0.0813 0.84 1.054 0.123 1.31 1.5218 0.9772 3084299 TimTec1_003080 CC(C)NS(=O)(=O)Cc1ccccc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 L23 mock treatment 1.006 -0.0247 -0.26 0.944 0.0126 0.13 -0.0854 -0.296 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 L24 mock treatment 1.081 0.0503 0.52 0.96 0.0286 0.31 0.5847 0.9676 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 M01 compound treatment 1.321 0.29 3.01 1.33 0.399 4.26 5.1374 0.9855 3209915 TimTec1_003081 CN(C)c1nc(Nc2ccc(OC(F)(F)F)cc2)nc(NC(C)(C)C)n1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 M02 compound treatment 1.111 0.0803 0.83 1.128 0.197 2.1 2.0735 0.9178 1453611 TimTec1_003082 Fc1ccc(NS(=O)(=O)c2ccc(NC(=O)Nc3ccccc3)cc2)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 M03 compound treatment 1.02 -0.0107 -0.11 0.919 -0.0124 -0.13 -0.1718 -0.9959 1354508 TimTec1_003083 Fc1ccccc1NC(=O)OCC2CCCN3CCCCC23 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 M04 compound treatment 1.134 0.103 1.07 1.035 0.104 1.11 1.5394 0.9999 1291773 TimTec1_003084 COc1ccccc1NCC(=O)NN 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 M05 compound treatment 1.203 0.172 1.78 1.204 0.273 2.91 3.3214 0.9724 3209916 TimTec1_003085 FC(F)(F)COc1nc(NCCOC2(CC3CC4CC(C3)C2)C4)nc(OCC(F)(F)F)n1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 M06 compound treatment 0.933 -0.0977 -1.01 0.825 -0.106 -1.14 -1.519 -0.9983 3084303 TimTec1_003086 Cc1ccccc1OCC(=O)NC(C)(C)C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 M07 compound treatment 1.178 0.147 1.53 1.155 0.224 2.39 2.7682 0.9766 1483294 TimTec1_003087 Brc1ccc(o1)C(=O)N2CCCC2(C#N)c3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 M08 compound treatment 1.433 0.402 4.17 1.458 0.527 5.63 6.9246 0.9891 3209917 TimTec1_003088 CCOC(=O)c1c(C)n(C)c2ccccc12 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 M09 compound treatment 1.141 0.11 1.14 1.135 0.204 2.18 2.3461 0.9549 1608976 TimTec1_003089 Cc1ccc(CNC(=O)c2ccc(Cl)cc2)c(=S)[nH]1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 M10 compound treatment 0.987 -0.0437 -0.45 0.982 0.0506 0.54 0.0625 0.0887 1134765 TimTec1_003090 Cc1cc(ccc1NC(=O)C2CC2)c3ccc(NC(=O)C4CC4)c(C)c3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 M11 compound treatment 1.074 0.0433 0.45 1.004 0.0726 0.78 0.8658 0.9662 1685257 TimTec1_003091 COc1ccc2[nH]c(C)c(CCNS(=O)(=O)c3c(C)[nH]c(=O)[nH]c3=O)c2c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 M12 compound treatment 1.044 0.0133 0.14 1.033 0.102 1.09 0.8652 0.7908 1307859 TimTec1_003092 OC(=O)C1CC(=O)N(Cc2ccccc2)C1c3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 M13 compound treatment 1.078 0.0473 0.49 0.96 0.0286 0.31 0.5627 0.9741 1194234 TimTec1_003093 Nn1c(Cn2ccnc2)nnc1Cn3ccnc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 M14 compound treatment 0.874 -0.157 -1.62 0.839 -0.0924 -0.99 -1.8453 -0.9716 1004097 TimTec1_003094 O=C(Nc1ccccc1)c2ccccc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 M15 compound treatment 1.036 0.00534 0.06 1.022 0.0906 0.97 0.7235 0.7463 3209918 TimTec1_003095 OC(=O)CSc1nc(O)c2ccccc2n1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 M16 compound treatment 1.355 0.324 3.36 1.339 0.408 4.35 5.4544 0.9918 1780824 TimTec1_003096 COC(=O)c1c(C)c(sc1N)/C(=C/C#N)/C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 M17 compound treatment 1.015 -0.0157 -0.16 0.913 -0.0184 -0.2 -0.2537 -0.9954 3084309 TimTec1_003097 Cc1cc(C)c2C3=NC(NC(=O)N3Nc2n1)(C(F)(F)F)C(F)(F)F 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 M18 compound treatment 1.06 0.0293 0.3 0.977 0.0456 0.49 0.5593 0.9742 3209920 TimTec1_003098 CCC(=O)Nc1ccc(C#N)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 M19 compound treatment 1.483 0.452 4.68 1.503 0.572 6.11 7.6307 0.9914 3209921 TimTec1_003099 CCC(=O)c1ccc2cccc3nc(CC)[nH]c1c23 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 M20 compound treatment 1.082 0.0513 0.53 1.006 0.0746 0.8 0.9395 0.9807 3084311 TimTec1_003100 CSc1nc(N)c(C#N)cc1C#N 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 M21 compound treatment 0.985 -0.0457 -0.47 0.883 -0.0484 -0.52 -0.7 -0.999 3084313 TimTec1_003101 FC(F)(F)c1cc(nc(SCCN2CCCCC2)c1C#N)C3CC3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 M22 compound treatment 1.026 -0.00466 -0.05 1.02 0.0886 0.95 0.6352 0.6702 1363379 TimTec1_003102 Cc1cc(C)n(n1)C(=O)CCC(=O)NCc2ccccc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 M23 mock treatment 1.035 0.00434 0.04 0.956 0.0246 0.26 0.2176 0.8163 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 M24 mock treatment 1.058 0.0273 0.28 1.017 0.0856 0.91 0.8468 0.8846 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 N01 compound treatment 1.315 0.284 2.94 1.301 0.37 3.95 4.8744 0.9896 1876364 TimTec1_003103 COc1ccc2cc(ccc2c1)C(C)C(=O)OCC(=O)N3CCCc4ccccc34 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 N02 compound treatment 1.125 0.0943 0.98 1.11 0.179 1.91 2.0401 0.9517 3083298 TimTec1_003104 CCc1ccc(NS(=O)(=O)C)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 N03 compound treatment 1.393 0.362 3.75 1.459 0.528 5.64 6.6392 0.9805 3210033 TimTec1_003105 NC(=O)c1c(NC(=O)CCCc2ccccc2)scc1c3ccc(Cl)cc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 N04 compound treatment 1.263 0.232 2.41 1.215 0.284 3.03 3.8439 0.9935 3083302 TimTec1_003106 FC(F)(F)c1ccccc1NC(=O)Cc2ccccc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 N05 compound treatment 1.094 0.0633 0.66 1.033 0.102 1.09 1.2314 0.9709 3210034 TimTec1_003107 NC(=C(C#N)C#N)/C(=C/c1ccc(o1)c2cccc(c2)C(=O)O)/C#N 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 N06 compound treatment 1.257 0.226 2.34 1.247 0.316 3.37 4.0417 0.9842 1611585 TimTec1_003108 COc1ccc(OC)c(NC(=O)c2cccs2)c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 N07 compound treatment 1.13 0.0993 1.03 1.095 0.164 1.75 1.9634 0.9681 3210035 TimTec1_003109 COc1ccc(cc1)C(=O)CSc2nc3ccccc3c(=O)n2c4ccc(C)cc4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 N08 compound treatment 0.931 -0.0997 -1.03 0.912 -0.0194 -0.21 -0.8764 -0.8325 1483126 TimTec1_003110 CCN(C1CCCCC1)S(=O)(=O)c2ccc(C)cc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 N09 compound treatment 1.098 0.0673 0.7 1.024 0.0926 0.99 1.1927 0.9854 3210036 TimTec1_003111 C/C(=N\N1CCN(CC1)C2c3ccccc3-c4ccccc24)/c5cccnc5 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 N10 compound treatment 1.13 0.0993 1.03 1.093 0.162 1.73 1.9483 0.9694 1438968 TimTec1_003112 COc1ccc(Cl)cc1NS(=O)(=O)C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 N11 compound treatment 1.036 0.00534 0.06 0.992 0.0606 0.65 0.4969 0.7648 1569076 TimTec1_003113 Clc1cccc(NC(=O)C2(CCCCC2)NC(=O)Cc3ccccc3)c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 N12 compound treatment 1.205 0.174 1.81 1.187 0.256 2.73 3.2076 0.9798 3083307 TimTec1_003114 COc1ccc(cc1)S(=O)(=O)NC(C)C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 N13 compound treatment 1.022 -0.00866 -0.09 0.913 -0.0184 -0.2 -0.2024 -0.9367 1576607 TimTec1_003115 CCC1(CC)OC(Nc2ccccc21)c3cccnc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 N14 compound treatment 1.219 0.188 1.95 1.227 0.296 3.16 3.6123 0.9732 1306106 TimTec1_003116 COc1ccc(CC(=O)N2CCc3ccccc23)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 N15 compound treatment 1.232 0.201 2.09 1.228 0.297 3.17 3.7151 0.9794 1533234 TimTec1_003117 Oc1ccccc1N2CCN(CC2)C(=O)c3scc4CCCCc34 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 N16 compound treatment 1.155 0.124 1.29 1.116 0.185 1.97 2.3051 0.9787 3083310 TimTec1_003118 CN(Cc1ccccc1)S(=O)(=O)C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 N17 compound treatment 0.927 -0.104 -1.07 0.861 -0.0704 -0.75 -1.291 -0.9849 1242242 TimTec1_003119 O=c1n(CN2CCOCC2)c3ccccc3n1CN4CCOCC4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 N18 compound treatment 1.092 0.0613 0.64 1.055 0.124 1.32 1.3829 0.9438 1434668 TimTec1_003120 CC(C)C(=O)N(Cc1ccccc1)c2ccccn2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 N19 compound treatment 1.071 0.0403 0.42 0.986 0.0546 0.58 0.7079 0.9866 1692260 TimTec1_003121 Cc1ccc(NC(=O)c2ccc(Oc3ccc(cc3)C(=O)Nc4ccc(C)cc4)cc2)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 N20 compound treatment 1.061 0.0303 0.31 1.033 0.102 1.09 0.9897 0.8759 1530780 TimTec1_003122 COC(=O)c1cc(NS(=O)(=O)Cc2ccccc2)cc(c1)C(=O)OC 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 N21 compound treatment 1.062 0.0313 0.32 0.981 0.0496 0.53 0.6042 0.9724 1642760 TimTec1_003123 O=S(=O)(Nn1cnnc1)c2ccccc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 N22 compound treatment 1.195 0.164 1.7 1.164 0.233 2.48 2.9606 0.983 1190900 TimTec1_003124 COc1ccc(NS(=O)(=O)Cc2ccccc2)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 N23 mock treatment 1.083 0.0523 0.54 1.011 0.0796 0.85 0.9846 0.9764 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 N24 mock treatment 1.085 0.0543 0.56 0.988 0.0566 0.6 0.8255 0.9994 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 O01 compound treatment 0.134 -0.897 -9.29 0.128 -0.803 -8.58 -12.6358 -0.9992 1591566 TimTec1_003125 Nn1cnn(CC(=O)Nc2nccs2)c1=S 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 O02 compound treatment 1.115 0.0843 0.87 1.059 0.128 1.36 1.5816 0.9769 1667880 TimTec1_003126 Fc1ccc(NC(=O)CCC(=O)Nc2ccc(F)cc2)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 O03 compound treatment 1.161 0.13 1.35 1.068 0.137 1.46 1.9864 0.9992 1127183 TimTec1_003127 CN(C)C(=O)NC1CC(C)(C)N(O)C(C)(C)C1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 O04 compound treatment 1.122 0.0913 0.95 1.09 0.159 1.69 1.867 0.9621 3083316 TimTec1_003128 COC(=O)COc1cc(C)ccc1C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 O05 compound treatment 1.199 0.168 1.74 1.224 0.293 3.13 3.4432 0.962 1147462 TimTec1_003129 CN(Cc1nc(cs1)c2ccccc2)C(=O)NC3(CC3)c4ccccc4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 O06 compound treatment 1.174 0.143 1.48 1.121 0.19 2.03 2.482 0.9883 1412252 TimTec1_003130 Cc1ccccc1OCC(=O)NC2CCCCC2NC(=O)COc3ccccc3C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 O07 compound treatment 1.087 0.0563 0.58 1.049 0.118 1.26 1.301 0.9392 1038833 TimTec1_003131 Cc1cc(C)c(C(=O)O)c(O)n1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 O08 compound treatment 0.617 -0.414 -4.28 0.485 -0.446 -4.77 -6.4017 -0.9986 3083333 TimTec1_003132 C/C(=N/O)/c1ccc(Br)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 O09 compound treatment 1.131 0.1 1.04 1.056 0.125 1.33 1.6761 0.9925 1238150 TimTec1_003133 Cc1ccc(C)c(c1)N2C3CS(=O)(=O)CC3CC2=O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 O10 compound treatment 1.039 0.00834 0.09 0.996 0.0646 0.69 0.5491 0.7895 3083335 TimTec1_003134 Nc1c[n+](no1)C2CCCCC2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 O11 compound treatment 1.233 0.202 2.1 1.178 0.247 2.63 3.3447 0.9936 3210037 TimTec1_003135 COC(=O)CSc1ccc2c(N)c(sc2c1)C(=O)OC 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 O12 compound treatment 1.297 0.266 2.76 1.281 0.35 3.73 4.5915 0.9889 1652358 TimTec1_003136 CCC(=O)Nc1ccc(cc1)C(=O)c2ccccc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 O13 compound treatment 0.943 -0.0877 -0.91 0.861 -0.0704 -0.75 -1.1738 -0.9956 1308315 TimTec1_003137 COc1cc2cc3c(=O)oc(nc3nc2cc1OC)c4ccccc4F 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 O14 compound treatment 1.183 0.152 1.58 1.154 0.223 2.38 2.7972 0.9801 1329048 TimTec1_003138 Cc1cc(Br)ccc1OCC(=O)NCCC2=CCCCC2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 O15 compound treatment 1.056 0.0253 0.26 0.978 0.0466 0.5 0.5376 0.9553 3083338 TimTec1_003139 Oc1nc(SCC(=O)N2CCOCC2)nc3ccccc13 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 O16 compound treatment 0.205 -0.826 -8.55 0.199 -0.732 -7.82 -11.5795 -0.999 3210038 TimTec1_003140 O/N=C/c1ccc2ccccc2c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 O17 compound treatment 0.792 -0.239 -2.47 0.782 -0.149 -1.6 -2.8765 -0.9776 1730029 TimTec1_003141 CC1CCN(CC1)S(=O)(=O)c2ccc(cc2)C(=O)NC3(CC4CC5CC(C4)C3)C5 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 O18 compound treatment 1.035 0.00434 0.04 0.916 -0.0154 -0.16 -0.0846 -0.4956 3083340 TimTec1_003142 N#CC[N+]1(CCN2CC1)CC2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 O19 compound treatment 1.132 0.101 1.05 0.998 0.0666 0.71 1.2453 0.9821 3083341 TimTec1_003143 CC1(C)C=C(C(=O)N)C(C)(C)N1OC(=O)c2ccco2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 O20 compound treatment 1.266 0.235 2.44 1.232 0.301 3.21 3.9943 0.9907 1600220 TimTec1_003144 CCN(CC)S(=O)(=O)c1ccc(NC(=O)c2ccc(C)cc2)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 O21 compound treatment 1.11 0.0793 0.82 1.049 0.118 1.26 1.4694 0.9788 3083344 TimTec1_003145 CC(C)(C)C(=O)c1sc2nc(cc(c2c1N)C(F)(F)F)c3cccs3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 O22 compound treatment 1.119 0.0883 0.91 1.086 0.155 1.65 1.8148 0.9612 1287628 TimTec1_003146 COc1ccc(NC(=O)CCC(=O)Oc2ccc(C)cc2)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 O23 mock treatment 1.104 0.0733 0.76 1.019 0.0876 0.94 1.1988 0.9946 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 O24 mock treatment 1.082 0.0513 0.53 1.004 0.0726 0.78 0.9244 0.9831 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 P01 compound treatment 1.207 0.176 1.83 1.247 0.316 3.37 3.6755 0.9585 1410014 TimTec1_003147 Clc1ncccc1C(=O)NCCC(c2ccccc2)c3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 P02 compound treatment 1.407 0.376 3.9 1.377 0.446 4.76 6.1223 0.9951 1029200 TimTec1_003148 CN(C(=O)c1ccccc1)c2ccccc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 P03 compound treatment 1.012 -0.0187 -0.19 0.896 -0.0354 -0.38 -0.4041 -0.9514 3210039 TimTec1_003149 Cc1ccc(C)c(c1)c2csc(NC(=O)CCCc3ccccc3)c2C(=O)N 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 P04 compound treatment 1.324 0.293 3.04 1.338 0.407 4.34 5.2198 0.9847 1021206 TimTec1_003150 O=C(Cc1ccccc1)NCC#N 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 P05 compound treatment 1.24 0.209 2.17 1.235 0.304 3.24 3.8266 0.9808 3083347 TimTec1_003151 COC(=O)c1cc(NC(=S)NN(C)C)ccc1Cl 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 P06 compound treatment 1.276 0.245 2.54 1.263 0.332 3.54 4.3017 0.9867 3210040 TimTec1_003152 CC(C)(C)N(Cc1ccccc1)C(=O)c2cccs2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 P07 compound treatment 1.179 0.148 1.54 1.119 0.188 2.0 2.5035 0.9914 3083349 TimTec1_003153 COc1ccc(CSc2nnc(SCc3ccc(cc3)C(=O)O)s2)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 P08 compound treatment 1.243 0.212 2.2 1.197 0.266 2.84 3.5615 0.9921 1063128 TimTec1_003154 Cc1ccc(cc1)S(=O)(=O)N2CCc3ccccc3C2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 P09 compound treatment 0.699 -0.332 -3.43 0.669 -0.262 -2.8 -4.4112 -0.9949 3210041 TimTec1_003155 Sc1nnc(c2ccccc2)n1/N=C\c3cccs3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 P10 compound treatment 1.199 0.168 1.74 1.185 0.254 2.71 3.1486 0.9773 3083351 TimTec1_003156 COc1ccccc1CNS(=O)(=O)C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 P11 compound treatment 1.415 0.384 3.98 1.434 0.503 5.37 6.6115 0.9891 1530173 TimTec1_003157 CC(C)(C)c1cc(Sc2nc(nc(n2)N3CCOCC3)N4CCOCC4)cc(c1O)C(C)(C)C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 P12 compound treatment 1.221 0.19 1.97 1.2 0.269 2.87 3.423 0.9832 3083353 TimTec1_003158 CCN(CC)S(=O)(=O)c1c(C)cc(C)cc1C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 P13 compound treatment 1.213 0.182 1.89 1.161 0.23 2.45 3.0698 0.9917 1546315 TimTec1_003159 Cc1c(CCNC2=CC(=O)OC32CCCCC3)c4ccccc4n1C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 P14 compound treatment 1.259 0.228 2.36 1.254 0.323 3.45 4.1092 0.9831 1177659 TimTec1_003160 Cc1cccc(c1)C(=O)N2CCCc3ccccc23 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 P15 compound treatment 0.948 -0.0827 -0.86 0.833 -0.0984 -1.05 -1.3487 -0.9948 3210042 TimTec1_003161 CC(C)c1cc(C)ccc1OCCSc2nc(N)cc(N)n2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 P16 compound treatment 1.164 0.133 1.38 1.171 0.24 2.56 2.7865 0.9581 3083357 TimTec1_003162 COC(=O)CNC(=O)c1ccc(Cl)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 P17 compound treatment 1.257 0.226 2.34 1.262 0.331 3.53 4.155 0.9802 1308187 TimTec1_003163 Cc1cc(C)n(n1)c2ccc(Cl)c(c2)C(=O)OCc3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 P18 compound treatment 1.243 0.212 2.2 1.24 0.309 3.3 3.8863 0.9806 3083360 TimTec1_003164 CC(C)C(=O)N1CCCCCC1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 P19 compound treatment 1.17 0.139 1.44 1.131 0.2 2.13 2.5283 0.9819 1157157 TimTec1_003165 Cc1ccc(C)n1c2cccc(c2)C(=O)O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 P20 compound treatment 1.232 0.201 2.09 1.207 0.276 2.94 3.5564 0.9857 1466847 TimTec1_003166 COc1ccccc1N2CCN(CC2)S(=O)(=O)Cc3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 P21 compound treatment 1.267 0.236 2.45 1.271 0.34 3.63 4.2962 0.9817 3210043 TimTec1_003167 CC1CCN(CC1)C(=O)c2ccccc2Br 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 P22 compound treatment 1.224 0.193 2.0 1.266 0.335 3.57 3.9436 0.9625 1611033 TimTec1_003168 Cc1ccccc1NS(=O)(=O)Cc2ccccc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 P23 mock treatment 1.147 0.116 1.2 0.972 0.0406 0.43 1.1587 0.9048 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2071 P24 mock treatment 0.975 -0.0557 -0.58 0.97 0.0386 0.41 -0.1161 -0.1638 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 A01 compound treatment 1.112 0.277 2.87 1.118 0.325 3.47 4.4795 0.9955 1249702 TimTec1_003169 CC1CCCCN1S(=O)(=O)Cc2ccccc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 A02 compound treatment 0.842 0.00684 0.07 0.867 0.0736 0.79 0.6061 0.7677 3210166 TimTec1_003170 CCC(C(=O)N(C)c1ccccc1)c2ccccc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 A03 compound treatment 1.092 0.257 2.66 1.025 0.232 2.47 3.6305 0.9993 1568702 TimTec1_003171 Cc1ccc(cc1C)C(=O)NCC2CCCO2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 A04 compound treatment 0.88 0.0448 0.46 0.845 0.0516 0.55 0.7182 0.9964 1300542 TimTec1_003172 O=C(CN1C(=O)c2ccccc2C1=O)NCC#N 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 A05 compound treatment 0.998 0.163 1.69 0.964 0.171 1.82 2.4813 0.9993 3210167 TimTec1_003173 COc1cccc(c1)C(=O)N(CC=C)CC=C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 A06 compound treatment 1.085 0.25 2.59 1.091 0.298 3.18 4.0778 0.9948 3083365 TimTec1_003174 CN(C)S(=O)(=O)NCc1ccc(C)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 A07 compound treatment 0.88 0.0448 0.46 0.883 0.0896 0.96 1.0052 0.9449 3083366 TimTec1_003175 CC(=O)N1CCc2ccccc2C1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 A08 compound treatment 1.142 0.307 3.18 1.136 0.343 3.66 4.8352 0.9975 3210168 TimTec1_003176 CC1CC(C)CN(C1)C(=O)CCc2ccccc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 A09 compound treatment 0.94 0.105 1.09 0.939 0.146 1.56 1.8677 0.9846 1737672 TimTec1_003177 O=C(CC(c1ccccc1)c2ccccc2)NCc3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 A10 compound treatment 0.89 0.0548 0.57 0.841 0.0476 0.51 0.7612 0.9985 3083369 TimTec1_003178 CCN(C(=O)CC(C)(C)C)c1ccccc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 A11 compound treatment 1.072 0.237 2.45 1.017 0.224 2.39 3.4236 0.9999 1464313 TimTec1_003179 CCc1ccc(NC(=O)c2ccc3OCOc3c2)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 A12 compound treatment 0.846 0.0108 0.11 0.844 0.0506 0.54 0.4616 0.8362 1608343 TimTec1_003180 COc1cc(SC)ccc1C(=O)Nc2ccccc2C(=O)N 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 A13 compound treatment 0.808 -0.0272 -0.28 0.811 0.0176 0.19 -0.066 -0.195 1728662 TimTec1_003181 CC(=O)Nc1ccc(NC(=O)CC(c2ccccc2)c3ccccc3)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 A14 compound treatment 0.927 0.0918 0.95 0.898 0.105 1.12 1.4627 0.9968 1565572 TimTec1_003182 CCOC(=O)C1CCCN(C1)C(=O)c2cccc(C)c2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 A15 compound treatment 0.054 -0.781 -8.09 1.063 0.27 2.88 -3.6843 -0.429 1573195 TimTec1_003183 CC(C)c1ccc(NS(=O)(=O)Cc2ccccc2)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 A16 compound treatment 0.807 -0.0282 -0.29 0.777 -0.0164 -0.18 -0.3301 -0.9703 1133863 TimTec1_003184 COCC(C)NC(=O)c1ccc(NC(=O)C)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 A17 compound treatment 0.808 -0.0272 -0.28 0.788 -0.00541 -0.06 -0.2397 -0.8349 1299790 TimTec1_003185 CC(Oc1ccccc1)C(=O)N(CC#N)CC#N 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 A18 compound treatment 1.118 0.283 2.93 0.901 0.108 1.15 2.8842 0.9165 1542766 TimTec1_003186 CCOC(=O)c1cccc(NC(=O)CCc2ccccc2)c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 A19 compound treatment 0.813 -0.0222 -0.23 0.793 -4.06E-4 0.0 -0.1653 -0.7204 1681120 TimTec1_003187 CCC(C)C(=O)N1CCN(CC1)c2cccc(Cl)c2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 A20 compound treatment 1.186 0.351 3.63 1.138 0.345 3.68 5.1726 1.0 3210169 TimTec1_003188 Cn1nc(cc1C(=O)O)C(F)(F)F 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 A21 compound treatment 1.241 0.406 4.2 1.278 0.485 5.18 6.6329 0.9947 3083375 TimTec1_003189 CCC(C)C(=O)Nc1cccc(c1)C(F)(F)F 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 A22 compound treatment 1.247 0.412 4.27 1.227 0.434 4.63 6.2916 0.9992 1652746 TimTec1_003190 COc1ccc(cc1)C2C=C(NC(=O)C2C#N)c3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 A23 mock treatment 0.716 -0.119 -1.23 0.659 -0.134 -1.44 -1.888 -0.9972 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 A24 mock treatment 0.75 -0.0852 -0.88 0.711 -0.0824 -0.88 -1.2462 -1.0 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 B01 compound treatment 0.893 0.0578 0.6 0.875 0.0816 0.87 1.04 0.9833 1388587 TimTec1_003191 O=S(=O)(NCCN1CCOCC1)c2ccc3ccccc3c2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 B02 compound treatment 1.158 0.323 3.34 1.139 0.346 3.69 4.975 0.9988 1707122 TimTec1_003192 COc1cc(cc(Cl)c1O)C2CSc3nc4sc5CCCCc5c4c(=O)n23 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 B03 compound treatment 0.691 -0.144 -1.49 0.568 -0.225 -2.41 -2.7585 -0.9736 1004002 TimTec1_003193 Nc1ccc(I)cc1C(=O)O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 B04 compound treatment 0.183 -0.652 -6.75 0.227 -0.566 -6.05 -9.0548 -0.9985 1150946 TimTec1_003194 O=C1CC(C2COC1O2)N3c4cccc5cccc(c45)S3(=O)=O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 B05 compound treatment 1.147 0.312 3.23 1.116 0.323 3.45 4.7207 0.9995 1120723 TimTec1_003195 CC(=O)Nc1cccc(OC(=O)c2ccoc2C)c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 B06 compound treatment 0.507 -0.328 -3.4 0.486 -0.307 -3.28 -4.7255 -0.9999 1185449 TimTec1_003196 CCCC(C(=O)N)C1=NC2(CCCCC2)Cc3ccccc13 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 B07 compound treatment 1.084 0.249 2.58 1.059 0.266 2.84 3.8288 0.9988 3083393 TimTec1_003197 Fc1ccc(CSc2nnc(SCc3ccccc3)s2)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 B08 compound treatment 0.994 0.159 1.65 0.967 0.174 1.85 2.4747 0.9982 3210170 TimTec1_003198 OC(=O)c1ccc(/C=N/N2C(=O)c3cccc4cccc(C2=O)c34)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 B09 compound treatment 0.933 0.0978 1.01 0.914 0.121 1.29 1.6276 0.9929 3083394 TimTec1_003199 FC(F)(F)C(NC(=O)c1ccco1)(NC2=NCCS2)C(F)(F)F 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 B10 compound treatment 1.384 0.549 5.68 1.411 0.618 6.6 8.6849 0.9972 3210171 TimTec1_003200 Cc1nn(C)c(C)c1/C=C/C(=O)C(C)(C)C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 B11 compound treatment 0.853 0.0178 0.18 0.799 0.00559 0.06 0.1729 0.8904 3210172 TimTec1_003201 COc1ccc(cc1)C2=C(Nc3ccc(cc3)C(=O)N4CCOCC4)c5ccccc5C2=O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 B12 compound treatment 0.041 -0.794 -8.23 0.04 -0.753 -8.05 -11.5074 -0.9999 1429954 TimTec1_003202 CC(=O)ON1C(=O)c2cccc3c(Br)ccc(C1=O)c23 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 B13 compound treatment 0.942 0.107 1.11 0.95 0.157 1.67 1.9654 0.9799 1329559 TimTec1_003203 COC(=O)c1ccccc1N(C)C(=O)c2cccc(c2)S(=O)(=O)N3CCCCC3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 B14 compound treatment 0.05 -0.785 -8.13 0.05 -0.743 -7.94 -11.366 -0.9999 1642501 TimTec1_003204 CC(C)c1ccc(Nc2nc(nc(n2)N3CCCCC3)N4CCCCC4)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 B15 compound treatment 0.844 0.00884 0.09 0.797 0.00359 0.04 0.0919 0.9255 3083396 TimTec1_003205 CC/N=C/1\SC(CC(=O)N1CC)C(=O)N 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 B16 compound treatment 1.038 0.203 2.1 0.974 0.181 1.93 2.8498 0.9991 1410726 TimTec1_003206 COc1cccc(c1)c2nnc(SCc3ccc(cc3)C(=O)O)n2CC=C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 B17 compound treatment 0.449 -0.386 -4.0 0.367 -0.426 -4.56 -6.0492 -0.9979 3083397 TimTec1_003207 FC(F)(F)c1cccc(c1)c2nc3ccccc3[nH]2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 B18 compound treatment 0.825 -0.0102 -0.11 0.809 0.0156 0.17 0.0434 0.2204 3210173 TimTec1_003208 COC(=O)c1ccc(/C=C/2\SC(=N)NC2=O)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 B19 compound treatment 0.765 -0.0702 -0.73 0.663 -0.13 -1.39 -1.4989 -0.954 3210174 TimTec1_003209 OC1(CC(NO1)c2ccccc2)C3(O)CCCCC3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 B20 compound treatment 0.955 0.12 1.24 0.929 0.136 1.45 1.902 0.997 1622985 TimTec1_003210 O=C1C2CC=CCC2C(=O)N1C3CC(=O)C4OCC3O4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 B21 compound treatment 0.725 -0.11 -1.14 0.698 -0.0954 -1.02 -1.5275 -0.9984 1582803 TimTec1_003211 Nn1c(COc2ccc(Cl)cc2)nc3ccccc3c1=O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 B22 compound treatment 0.937 0.102 1.05 0.898 0.105 1.12 1.536 0.9996 3083401 TimTec1_003212 OC(=O)CCc1nn2c3ccccc3nc2[nH]c1=O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 B23 mock treatment 0.845 0.00984 0.1 0.766 -0.0274 -0.29 -0.1349 -0.4353 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 B24 mock treatment 0.761 -0.0742 -0.77 0.664 -0.129 -1.38 -1.5206 -0.9615 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 C01 compound treatment 1.036 0.201 2.08 1.008 0.215 2.29 3.092 0.9988 1543604 TimTec1_003213 O=S(=O)(Cc1ccccc1)Nc2nc3ccccc3s2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 C02 compound treatment 1.077 0.242 2.5 1.083 0.29 3.09 3.9588 0.9945 3083402 TimTec1_003214 CN(C(=O)Cc1cccs1)c2ccccc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 C03 compound treatment 0.915 0.0798 0.83 0.922 0.129 1.37 1.5562 0.9705 1605314 TimTec1_003215 CCCNC(=O)c1ccc(OCC)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 C04 compound treatment 0.959 0.124 1.28 0.933 0.14 1.49 1.9615 0.9972 1295085 TimTec1_003216 O=C(COc1ccccc1)N(Cc2ccccc2)c3ccccn3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 C05 compound treatment 1.257 0.422 4.37 1.261 0.468 5.0 6.6217 0.9978 3083405 TimTec1_003217 COc1cccc(c1)C(=O)N2CCCCCC2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 C06 compound treatment 0.881 0.0458 0.47 0.87 0.0766 0.82 0.9143 0.9665 3210175 TimTec1_003218 CC(C)CC(=O)NCc1ccc(C)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 C07 compound treatment 0.976 0.141 1.46 0.953 0.16 1.7 2.2371 0.997 3083407 TimTec1_003219 CCCNC(=O)c1ccccc1OC(=O)C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 C08 compound treatment 1.243 0.408 4.22 1.237 0.444 4.74 6.3379 0.9984 3210176 TimTec1_003220 CCN(C(=O)CCc1ccccc1)c2ccccc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 C09 compound treatment 0.936 0.101 1.04 0.905 0.112 1.19 1.5815 0.9978 1655477 TimTec1_003221 O=C(CC(c1ccccc1)c2ccccc2)Nc3ccccn3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 C10 compound treatment 1.3 0.465 4.81 1.283 0.49 5.23 7.1028 0.9991 1506281 TimTec1_003222 COc1cc(NC(=O)CC(C)(C)C)c(OC)cc1Cl 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 C11 compound treatment 0.667 -0.168 -1.74 0.598 -0.195 -2.09 -2.7076 -0.9959 1163628 TimTec1_003223 CCN(CC)C(=O)C1c2ccccc2Oc3ccccc13 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 C12 compound treatment 0.915 0.0798 0.83 0.872 0.0786 0.84 1.1785 1.0 3083410 TimTec1_003224 CCC(C)C(=O)NCCc1ccccc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 C13 compound treatment 0.981 0.146 1.51 0.967 0.174 1.85 2.3795 0.9948 3210177 TimTec1_003225 CCOc1ccc(cc1)C(=O)N2CCCCC2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 C14 compound treatment 0.869 0.0338 0.35 0.813 0.0196 0.21 0.3959 0.9696 3083413 TimTec1_003226 COCC(C)NC(=O)c1cccs1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 C15 compound treatment 1.096 0.261 2.7 1.064 0.271 2.89 3.9544 0.9994 3210178 TimTec1_003227 CC(C)CCNC(=O)c1ccccc1C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 C16 compound treatment 0.947 0.112 1.16 0.894 0.101 1.07 1.579 0.9993 1703463 TimTec1_003228 COCC(C)NC(=O)c1ccc(OC(=O)C)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 C17 compound treatment 1.092 0.257 2.66 1.077 0.284 3.03 4.0233 0.9979 1178243 TimTec1_003229 CCC(C(=O)NCc1ccccn1)c2ccccc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 C18 compound treatment 1.096 0.261 2.7 1.064 0.271 2.89 3.9544 0.9994 1572580 TimTec1_003230 CCOC(=O)C1CCCN(C1)C(=O)CCc2ccccc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 C19 compound treatment 0.958 0.123 1.27 0.943 0.15 1.6 2.0297 0.9936 3083416 TimTec1_003231 CC(C)N(Cc1ccccc1)S(=O)(=O)N(C)C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 C20 compound treatment 0.947 0.112 1.16 0.886 0.0926 0.99 1.5186 0.9969 1144496 TimTec1_003232 C=CCN(CC=C)C(=O)C1c2ccccc2Oc3ccccc13 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 C21 compound treatment 1.116 0.281 2.91 1.2 0.407 4.34 5.1283 0.981 3083418 TimTec1_003233 Brc1ccc(CC(=O)N(CC=C)CC=C)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 C22 compound treatment 0.185 -0.65 -6.73 0.18 -0.613 -6.55 -9.3952 -0.9999 1605852 TimTec1_003234 CCOC(=O)N1CCN(CC1)c2ccc3ccccc3n2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 C23 mock treatment 0.792 -0.0432 -0.45 0.69 -0.103 -1.1 -1.0972 -0.9207 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 C24 mock treatment 0.806 -0.0292 -0.3 0.76 -0.0334 -0.36 -0.4659 -0.9965 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 D01 compound treatment 1.134 0.299 3.1 1.134 0.341 3.64 4.7615 0.9968 3083420 TimTec1_003235 Cc1cccc(C)c1NC(=O)CCCSc2nnnn2c3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 D02 compound treatment 1.026 0.191 1.98 1.025 0.232 2.47 3.1472 0.9938 1267320 TimTec1_003236 O=C1CC(C2COC1O2)n3nc(Nc4ccccc4)n(c5ccccc5)c3=S 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 D03 compound treatment 0.944 0.109 1.13 0.947 0.154 1.64 1.9574 0.9832 3083422 TimTec1_003237 CN1[C@@H]([C@H](CC1=O)C(=O)O)c2cccnc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 D04 compound treatment 0.855 0.0198 0.21 0.827 0.0336 0.36 0.3991 0.965 3210297 TimTec1_003238 Cc1[nH]c2ccccc2c1CCNCC(C)(C)C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 D05 compound treatment 0.936 0.101 1.04 0.925 0.132 1.41 1.7326 0.9893 1689355 TimTec1_003239 COc1ccc(NC(=O)NC2c3ccccc3Oc4ccccc24)cc1OC 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 D06 compound treatment 1.088 0.253 2.62 1.067 0.274 2.92 3.9185 0.9985 3083425 TimTec1_003240 Cc1nnc(c2ccccc2)c(=O)n1/N=C/c3ccc4OCOc4c3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 D07 compound treatment 0.922 0.0868 0.9 0.859 0.0656 0.7 1.1315 0.9924 1601274 TimTec1_003241 Cc1ccc(cc1)n2c(SCC(=O)N)nc3ccccc3c2=O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 D08 compound treatment 0.705 -0.13 -1.35 0.652 -0.141 -1.51 -2.0214 -0.9984 1532590 TimTec1_003242 C(NC1CCCCC1)c2cccn2c3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 D09 compound treatment 1.128 0.293 3.03 1.062 0.269 2.87 4.1737 0.9996 3210298 TimTec1_003243 NNc1nc(NN)nc(Nc2cccc(c2)C(F)(F)F)n1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 D10 compound treatment 0.816 -0.0192 -0.2 0.768 -0.0254 -0.27 -0.3322 -0.9881 3083428 TimTec1_003244 Cc1cc(n2ncnc2n1)C(F)(F)F 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 D11 compound treatment 1.023 0.188 1.95 0.946 0.153 1.63 2.5284 0.9961 3210299 TimTec1_003245 NC1=C(C#N)C(C2=C(CCC2)N1c3sc4CCCCc4c3C#N)(C(F)(F)F)C(F)(F)F 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 D12 compound treatment 0.551 -0.284 -2.94 0.506 -0.287 -3.07 -4.2522 -0.9998 3083430 TimTec1_003246 COc1ccc(cc1)C2CC(=NO2)C3(C)CCCCC3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 D13 compound treatment 0.896 0.0608 0.63 0.822 0.0286 0.31 0.6616 0.9447 1610817 TimTec1_003247 CCC1OC(=Nc2ccccc12)c3cccc(OC)c3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 D14 compound treatment 0.146 -0.689 -7.14 0.149 -0.644 -6.88 -9.915 -0.9998 3083432 TimTec1_003248 Cc1ccc(CCSc2ccc(Cl)c(Cl)c2)cn1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 D15 compound treatment 0.865 0.0298 0.31 0.89 0.0966 1.03 0.9483 0.8803 3210300 TimTec1_003249 Cc1c(CCNC(NC(=O)c2ccc(Cl)cc2)(C(F)(F)F)C(F)(F)F)c3ccccc3n1C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 D16 compound treatment 0.081 -0.754 -7.81 0.082 -0.711 -7.6 -10.8972 -0.9999 3083457 TimTec1_003250 Brc1ccc(CSc2nccn2Cc3ccccc3)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 D17 compound treatment 1.108 0.273 2.83 1.084 0.291 3.1 4.1934 0.9989 1520066 TimTec1_003251 CC1CCCN(C1C)S(=O)(=O)c2cccc3c(cccc23)S(=O)(=O)N4CCCC(C)C4C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 D18 compound treatment 0.048 -0.787 -8.15 0.049 -0.744 -7.95 -11.3882 -0.9999 3083459 TimTec1_003252 NC(=O)SCC(=O)Nc1ccc(Cl)cc1Cl 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 D19 compound treatment 0.874 0.0388 0.4 0.872 0.0786 0.84 0.8782 0.9432 3210301 TimTec1_003253 Nc1cc(=O)[nH]c(S/C=C/c2ccccc2)n1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 D20 compound treatment 1.181 0.346 3.58 1.049 0.256 2.73 4.4636 0.991 3083461 TimTec1_003254 C=CCS/C(=N\n1cnc2ccccc2c1=O)/N3CCCCC3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 D21 compound treatment 0.822 -0.0132 -0.14 0.783 -0.0104 -0.11 -0.175 -0.9949 1275489 TimTec1_003255 CCOC(=O)C1=C(NC(=O)C(C#N)C21CCCCC2)SCc3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 D22 compound treatment 0.231 -0.604 -6.26 0.191 -0.602 -6.44 -8.9753 -0.9999 1429911 TimTec1_003256 O=C(CSc1nc2ccccc2s1)Nc3ccncc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 D23 mock treatment 0.799 -0.0362 -0.37 0.78 -0.0134 -0.14 -0.3661 -0.913 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 D24 mock treatment 0.741 -0.0942 -0.98 0.733 -0.0604 -0.65 -1.1459 -0.9799 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 E01 compound treatment 1.335 0.5 5.18 1.377 0.584 6.23 8.0692 0.9957 1553246 TimTec1_003257 Brc1cccc(c1)C(=O)N2CCc3ccccc3C2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 E02 compound treatment 1.176 0.341 3.53 1.145 0.352 3.76 5.1522 0.9995 3083464 TimTec1_003258 CN(C)S(=O)(=O)N(C)c1ccccc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 E03 compound treatment 1.128 0.293 3.03 1.14 0.347 3.7 4.7629 0.9951 1180821 TimTec1_003259 CCOc1ccc(cc1)C(=O)NC(C)c2ccccc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 E04 compound treatment 0.973 0.138 1.43 0.936 0.143 1.52 2.0867 0.9995 1212826 TimTec1_003260 CCOC(=O)C1CCN(CC1)C(=O)COc2ccccc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 E05 compound treatment 0.945 0.11 1.14 0.955 0.162 1.73 2.0252 0.9795 3210302 TimTec1_003261 CCN(CC)C(=O)c1cccc(OC)c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 E06 compound treatment 0.895 0.0598 0.62 0.829 0.0356 0.38 0.7072 0.9725 3210303 TimTec1_003262 CCCC(C)C(=O)NCc1ccc(C)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 E07 compound treatment 0.879 0.0438 0.45 0.792 -0.00141 -0.02 0.3105 0.6833 1476178 TimTec1_003263 CC1CC(C)CN(C1)C(=O)c2ccccc2OC(=O)C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 E08 compound treatment 1.123 0.288 2.98 1.078 0.285 3.04 4.2579 1.0 3210304 TimTec1_003264 CCN(C1CCCCC1)C(=O)CCc2ccccc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 E09 compound treatment 0.327 -0.508 -5.26 0.296 -0.497 -5.31 -7.479 -1.0 1131761 TimTec1_003265 COc1ccccc1CC(=O)NC2CCCC2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 E10 compound treatment 0.742 -0.0932 -0.96 0.736 -0.0574 -0.61 -1.1159 -0.9761 1709116 TimTec1_003266 CC(C)(C)CC(=O)NCc1ccc(cc1)S(=O)(=O)N 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 E11 compound treatment 0.873 0.0378 0.39 0.815 0.0216 0.23 0.4403 0.9681 1613437 TimTec1_003267 O=C(NC1CCCC1)C2c3ccccc3Oc4ccccc24 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 E12 compound treatment 0.847 0.0118 0.12 0.851 0.0576 0.62 0.5218 0.8317 1434161 TimTec1_003268 CCCC(C)C(=O)Nc1ccc(cc1)S(=O)(=O)N 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 E13 compound treatment 0.896 0.0608 0.63 0.87 0.0766 0.82 1.0242 0.9917 1616704 TimTec1_003269 NC(=O)c1ccccc1NC(=O)Cc2ccccc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 E14 compound treatment 1.104 0.269 2.78 1.0 0.207 2.21 3.5295 0.9934 1260520 TimTec1_003270 CCOC(=O)C1CCCN(C1)S(=O)(=O)c2ccccc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 E15 compound treatment 1.028 0.193 2.0 0.978 0.185 1.97 2.8068 1.0 3083469 TimTec1_003271 CC(C)CCNC(=O)c1cccc(Cl)c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 E16 compound treatment 0.643 -0.192 -1.99 0.553 -0.24 -2.57 -3.2233 -0.9921 1590237 TimTec1_003272 CCC(CC)NC(=O)Cc1ccccc1OC 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 E17 compound treatment 1.02 0.185 1.91 1.018 0.225 2.4 3.0503 0.9937 1731442 TimTec1_003273 CC(C)(C)CC(=O)NCc1ccccn1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 E18 compound treatment 1.147 0.312 3.23 1.103 0.31 3.31 4.6225 0.9999 1659601 TimTec1_003274 CCOC(=O)c1cccc(NC(=O)C(C)(C)CC)c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 E19 compound treatment 1.185 0.35 3.62 1.162 0.369 3.94 5.3465 0.9991 1275025 TimTec1_003275 CC(C)N(Cc1ccccc1)C(=O)COc2ccccc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 E20 compound treatment 0.856 0.0208 0.22 0.84 0.0466 0.5 0.5046 0.9301 1917477 TimTec1_003276 CC(=O)N1[C@@H](CS[C@@H]1c2ccc(F)cc2)C(=O)O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 E21 compound treatment 0.954 0.119 1.23 0.892 0.0986 1.05 1.6152 0.997 3210305 TimTec1_003277 CC(NS(=O)(=O)N(C)C)c1ccccc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 E22 compound treatment 1.293 0.458 4.74 1.251 0.458 4.89 6.8098 0.9999 1301346 TimTec1_003278 CC(=O)Nc1ccc(OS(=O)Nc2nnc(C)c3ccccc23)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 E23 mock treatment 0.776 -0.0592 -0.61 0.718 -0.0754 -0.81 -1.0029 -0.9909 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 E24 mock treatment 0.82 -0.0152 -0.16 0.764 -0.0294 -0.31 -0.3331 -0.9486 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 F01 compound treatment 1.044 0.209 2.16 1.041 0.248 2.65 3.3999 0.995 3210306 TimTec1_003279 COc1ccc(NC(=O)Cn2cnc3ccccc3c2=O)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 F02 compound treatment 1.103 0.268 2.77 1.137 0.344 3.67 4.5571 0.9905 3210307 TimTec1_003280 CCC(NS(=O)(=O)c1c(C)[nH]c(=O)[nH]c1=O)C2(CC3CC4CC(C3)C2)C4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 F03 compound treatment 0.811 -0.0242 -0.25 0.708 -0.0854 -0.91 -0.8221 -0.8689 1357383 TimTec1_003281 CC(=CCNc1ncnc2nc[nH]c12)C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 F04 compound treatment 1.068 0.233 2.41 1.084 0.291 3.1 3.9004 0.9922 1458922 TimTec1_003282 COc1ccc(CCNC(=O)Cc2c(SC)c3ccccc3n2Cc4ccccc4)cc1OC 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 F05 compound treatment 1.336 0.501 5.19 1.366 0.573 6.12 7.9934 0.9966 3210308 TimTec1_003283 CC(C)(C)N1C(=O)NC(=O)/C(=C/c2cc3ccccc3[nH]2)/C1=O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 F06 compound treatment 0.927 0.0918 0.95 0.895 0.102 1.09 1.4401 0.9978 1611563 TimTec1_003284 Cc1cc(c2ncccc2c1)S(=O)(=O)N 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 F07 compound treatment 0.878 0.0428 0.44 0.853 0.0596 0.64 0.764 0.9844 1415079 TimTec1_003285 Cc1ccc(cc1)n2c(SCC(=O)Nc3c(C)cccc3C)nc4ccccc4c2=O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 F08 compound treatment 0.676 -0.159 -1.65 0.642 -0.151 -1.62 -2.3093 -1.0 1631498 TimTec1_003286 COC(=O)c1ccc2nc(NC(=O)CN3C(=O)CCC3=O)sc2c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 F09 compound treatment 0.047 -0.788 -8.16 0.041 -0.752 -8.04 -11.4559 -1.0 1658377 TimTec1_003287 C1CC1C#CC(N2CCOCC2)N3CCOCC3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 F10 compound treatment 1.057 0.222 2.3 1.028 0.235 2.51 3.3969 0.9991 1133097 TimTec1_003288 COC(=O)CNS(=O)(=O)c1ccc(I)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 F11 compound treatment 0.721 -0.114 -1.18 0.712 -0.0814 -0.87 -1.451 -0.9886 3210422 TimTec1_003289 COc1ccc(/C=C\2/C3CCC(C)(C2=O)C3(C)C)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 F12 compound treatment 0.045 -0.79 -8.18 0.046 -0.747 -7.98 -11.4328 -0.9999 1395696 TimTec1_003290 CCOC(=O)Oc1c(Cl)cc2oc(=O)sc2c1Br 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 F13 compound treatment 0.065 -0.77 -7.98 0.062 -0.731 -7.81 -11.1655 -0.9999 1432636 TimTec1_003291 Clc1ccc(cc1)C(=O)CCNc2ccc(Cc3ccncc3)cc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 F14 compound treatment 0.835 -1.56E-4 0.0 0.838 0.0446 0.48 0.3357 0.7047 3083482 TimTec1_003292 CC(=O)N/C(=C/c1ccccc1)/C(=O)Nc2ccc(I)cc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 F15 compound treatment 1.252 0.417 4.32 1.266 0.473 5.05 6.6228 0.997 1541061 TimTec1_003293 Cn1c(SCc2ccc3OCOc3c2)nc4ccccc4c1=O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 F16 compound treatment 0.596 -0.239 -2.48 0.568 -0.225 -2.41 -3.4542 -0.9999 1611110 TimTec1_003294 O=C(CSc1nc2ccccc2o1)OCC(=O)N3c4ccccc4Sc5ccccc35 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 F17 compound treatment 1.071 0.236 2.44 1.074 0.281 3.0 3.8469 0.9948 1592970 TimTec1_003295 CC(C)CSc1cc(cc(c1C)S(=O)(=O)c2ccccc2)N3C(=O)c4ccccc4C3=O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 F18 compound treatment 0.99 0.155 1.6 0.935 0.142 1.51 2.2036 0.9996 1602870 TimTec1_003296 CC1CCCCN1S(=O)(=O)c2ccc(cc2)C(=O)O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 F19 compound treatment 0.885 0.0498 0.52 0.865 0.0716 0.76 0.9059 0.9817 1517220 TimTec1_003297 CCC(NS(=O)(=O)c1cc(C)ccc1OC)C2(CC3CC4CC(C3)C2)C4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 F20 compound treatment 0.848 0.0128 0.13 0.84 0.0466 0.5 0.446 0.8657 3083487 TimTec1_003298 Fc1ccc(COc2cccc(/C=C/3\NC(=S)NC3=O)c2)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 F21 compound treatment 1.333 0.498 5.16 1.355 0.562 6.0 7.8884 0.9972 1551647 TimTec1_003299 CCCc1nnc(s1)N(Cc2ccc(Cl)cc2)C(=O)c3ccc(C)cc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 F22 compound treatment 1.178 0.343 3.55 1.213 0.42 4.48 5.6805 0.9933 3083489 TimTec1_003300 FC(F)(F)c1nc(SCc2ccccc2)c(C#N)cc1C(=O)c3cccs3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 F23 mock treatment 0.85 0.0148 0.15 0.826 0.0326 0.35 0.3549 0.9325 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 F24 mock treatment 0.821 -0.0142 -0.15 0.75 -0.0434 -0.46 -0.4316 -0.8874 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 G01 compound treatment 1.228 0.393 4.07 1.23 0.437 4.66 6.1751 0.9977 1314654 TimTec1_003301 COc1ccc(CNC(=O)c2ccc(OC)cc2OC)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 G02 compound treatment 1.111 0.276 2.86 1.076 0.283 3.02 4.1549 0.9996 1658255 TimTec1_003302 COc1cc(SC)ccc1C(=O)N(C)c2ccccc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 G03 compound treatment 0.978 0.143 1.48 0.914 0.121 1.29 1.9571 0.9976 1190937 TimTec1_003303 CCOc1ccc(cc1)C(=O)N2CC(C)CC(C)C2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 G04 compound treatment 1.264 0.429 4.44 1.263 0.47 5.02 6.6881 0.9982 3083492 TimTec1_003304 CCCC(C)C(=O)Nc1cccc(Br)c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 G05 compound treatment 1.016 0.181 1.87 0.938 0.145 1.54 2.4167 0.9954 3083496 TimTec1_003305 CCNC(=O)c1cccc(OC)c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 G06 compound treatment 0.904 0.0688 0.71 0.863 0.0696 0.74 1.0299 0.9998 3210423 TimTec1_003306 COc1cc(SC)ccc1C(=O)NCCCn2ccnc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 G07 compound treatment 1.015 0.18 1.86 0.998 0.205 2.19 2.8626 0.9968 1444060 TimTec1_003307 CC(=O)Oc1ccccc1C(=O)NCC2CCCO2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 G08 compound treatment 0.793 -0.0422 -0.44 0.765 -0.0284 -0.3 -0.5233 -0.9842 1696246 TimTec1_003308 CCC(C(=O)Nc1ccc(cc1)S(=O)(=O)N)c2ccccc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 G09 compound treatment 0.564 -0.271 -2.81 0.494 -0.299 -3.2 -4.2476 -0.9979 1723016 TimTec1_003309 O=C(NCCN1CCOCC1)c2ccccc2Oc3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 G10 compound treatment 0.991 0.156 1.61 0.942 0.149 1.59 2.2638 1.0 3210424 TimTec1_003310 CN(C)S(=O)(=O)Nc1ccccc1C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 G11 compound treatment 0.839 0.00384 0.04 0.82 0.0266 0.28 0.229 0.7984 1134633 TimTec1_003311 CCN(Cc1ccccc1)C(=O)N2CCOCC2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 G12 compound treatment 0.832 -0.00316 -0.03 0.763 -0.0304 -0.32 -0.2528 -0.7744 1547792 TimTec1_003312 CCCC(C)C(=O)Nc1ccc(NC(=O)C)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 G13 compound treatment 0.969 0.134 1.39 0.961 0.168 1.79 2.2462 0.992 3083508 TimTec1_003313 NC(=O)c1ccccc1NC(=O)c2cccc(Br)c2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 G14 compound treatment 0.988 0.153 1.58 0.973 0.18 1.92 2.476 0.9954 1361334 TimTec1_003314 COCC(C)NS(=O)(=O)c1c(C)cc(C)cc1C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 G15 compound treatment 0.801 -0.0342 -0.35 0.783 -0.0104 -0.11 -0.3288 -0.8866 1303565 TimTec1_003315 CC(C)CCNS(=O)(=O)Cc1ccccc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 G16 compound treatment 0.933 0.0978 1.01 0.879 0.0856 0.91 1.3632 0.9987 1132078 TimTec1_003316 NS(=O)(=O)c1ccc(CCNC(=O)CC(c2ccccc2)c3ccccc3)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 G17 compound treatment 1.132 0.297 3.07 1.14 0.347 3.7 4.7922 0.9957 3084684 TimTec1_003317 Cc1cc(C)cc(NC(=O)Cc2cccs2)c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 G18 compound treatment 0.989 0.154 1.59 0.933 0.14 1.49 2.1812 0.9995 3084685 TimTec1_003318 CCC(C)(C)C(=O)N1CCC(CC1)C(=O)OC 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 G19 compound treatment 1.019 0.184 1.9 0.997 0.204 2.18 2.8844 0.9978 1406144 TimTec1_003319 CC(Oc1ccccc1)C(=O)NC2CCCC2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 G20 compound treatment 0.968 0.133 1.38 0.982 0.189 2.01 2.3976 0.9827 3210425 TimTec1_003320 Cc1ccc(cc1)c2nc3sc4nc5ccccc5nc4n3n2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 G21 compound treatment 0.881 0.0458 0.47 0.823 0.0296 0.32 0.5593 0.9805 1483366 TimTec1_003321 CCCC(C)C(=O)NCc1ccccc1OC 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 G22 compound treatment 0.851 0.0158 0.16 0.838 0.0446 0.48 0.4529 0.8988 1622726 TimTec1_003322 O=C(NCCc1nc2ccccc2[nH]1)C3COc4ccccc4O3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 G23 mock treatment 0.79 -0.0452 -0.47 0.789 -0.00441 -0.05 -0.364 -0.7744 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 G24 mock treatment 0.82 -0.0152 -0.16 0.764 -0.0294 -0.31 -0.3331 -0.9486 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 H01 compound treatment 1.04 0.205 2.12 1.034 0.241 2.57 3.3177 0.9955 3084686 TimTec1_003323 FC(F)(F)c1ccc(COc2ccc3cc(c4ccccn4)c(=O)oc3c2)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 H02 compound treatment 0.958 0.123 1.27 0.949 0.156 1.66 2.075 0.9913 1383752 TimTec1_003324 OC1(CC(=O)C2CC3CC2C=C3)C(=O)Nc4ccccc41 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 H03 compound treatment 1.199 0.364 3.77 1.221 0.428 4.57 5.8948 0.9954 3084687 TimTec1_003325 CCOC(=O)c1cc(C(=O)OCC)n(C)n1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 H04 compound treatment 0.92 0.0848 0.88 0.917 0.124 1.32 1.555 0.9804 3210426 TimTec1_003326 Cc1ccccc1n2c(CSC(=N)N)nc3ccccc3c2=O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 H05 compound treatment 0.881 0.0458 0.47 0.922 0.129 1.37 1.3072 0.8993 3084688 TimTec1_003327 O=C(N/C=N/C(=O)c1cccnc1)c2cccnc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 H06 compound treatment 1.202 0.367 3.8 1.145 0.352 3.76 5.3426 1.0 1564884 TimTec1_003328 CN1CCN(CC1)S(=O)(=O)c2cccc3cccnc23 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 H07 compound treatment 0.943 0.108 1.12 0.931 0.138 1.47 1.8292 0.9908 3210427 TimTec1_003329 Cc1ccc(cc1)n2c(SCC(=O)C(C)(C)C)nnc2c3ccncc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 H08 compound treatment 0.996 0.161 1.67 1.009 0.216 2.3 2.8066 0.9874 3084689 TimTec1_003330 Nc1nc(SCC#N)c(C#N)c(c1C#N)c2cccc(F)c2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 H09 compound treatment 0.837 0.00184 0.02 0.78 -0.0134 -0.14 -0.0878 -0.6075 3210428 TimTec1_003331 CCC(=O)NC(Nc1sc2CCCc2c1C(=O)OC)(C(F)(F)F)C(F)(F)F 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 H10 compound treatment 1.249 0.414 4.29 1.261 0.468 5.0 6.5631 0.9971 3084690 TimTec1_003332 Cc1noc(c1I)c2ccc3OCOc3c2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 H11 compound treatment 0.901 0.0658 0.68 0.868 0.0746 0.8 1.0457 0.997 3084691 TimTec1_003333 NC1=C(C#N)C(NN1c2ccccc2)(C(F)(F)F)C(F)(F)F 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 H12 compound treatment 0.545 -0.29 -3.01 0.564 -0.229 -2.45 -3.858 -0.9949 1616513 TimTec1_003334 Ic1ccc(NC(=O)CC2CCOCC2)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 H13 compound treatment 1.155 0.32 3.31 1.179 0.386 4.12 5.2552 0.9942 3210429 TimTec1_003335 Cc1cc(C)c(C#N)c(SCSc2ccccc2)n1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 H14 compound treatment 0.794 -0.0412 -0.43 0.812 0.0186 0.2 -0.1609 -0.3422 3084692 TimTec1_003336 Cn1nnnc1SCC(=O)Nc2nccs2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 H15 compound treatment 1.007 0.172 1.78 1.009 0.216 2.3 2.8871 0.9919 3210430 TimTec1_003337 Cc1ccc(cc1)C(=O)OCC2OC(O)C(O)C2OC(=O)c3ccc(C)cc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 H16 compound treatment 0.909 0.0738 0.76 0.908 0.115 1.22 1.4065 0.9743 1327025 TimTec1_003338 CC1C2CC(CC1(C)C)N(C2)C(=O)c3ccc(cc3)N4C(=O)c5ccccc5C4=O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 H17 compound treatment 0.932 0.0968 1.0 0.912 0.119 1.27 1.6051 0.9933 3084693 TimTec1_003339 COc1ccc2nc(N3CCCCC3)c(/C=C/4\N=C(OC4=O)c5ccccc5)cc2c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 H18 compound treatment 0.832 -0.00316 -0.03 0.812 0.0186 0.2 0.1173 0.5829 3210431 TimTec1_003340 O=c1[nH]c(CN2CCCCC2)nc3c4ccccc4oc13 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 H19 compound treatment 0.968 0.133 1.38 0.909 0.116 1.23 1.8461 0.9985 1074832 TimTec1_003341 OC(=O)CCN1CCCc2ccccc12 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 H20 compound treatment 0.89 0.0548 0.57 0.932 0.139 1.48 1.4486 0.9135 3210432 TimTec1_003342 O=C1CC(S/C(=N/c2ccccc2)/Nc3ccccc3)C(=O)N1CCc4ccccc4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 H21 compound treatment 0.892 0.0568 0.59 0.807 0.0136 0.15 0.519 0.8559 3084694 TimTec1_003343 COC(=O)C(CC(=O)c1ccc(Br)cc1)(Cc2ccc(Br)cc2)C(=O)OC 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 H22 compound treatment 0.059 -0.776 -8.04 0.072 -0.721 -7.71 -11.1339 -0.9998 3210433 TimTec1_003344 CC/C(=C\C(=O)c1ccc(Br)cc1)/O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 H23 mock treatment 0.862 0.0268 0.28 0.837 0.0436 0.47 0.5259 0.9696 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 H24 mock treatment 0.853 0.0178 0.18 0.789 -0.00441 -0.05 0.0974 0.5107 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 I01 compound treatment 1.326 0.491 5.08 1.315 0.522 5.57 7.5349 0.999 1172830 TimTec1_003345 COc1ccc(cc1OC)C(=O)N2CCc3ccccc23 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 I02 compound treatment 1.348 0.513 5.31 1.294 0.501 5.35 7.5374 1.0 3210434 TimTec1_003346 CCN(CC)C(=O)Cc1ccc(Br)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 I03 compound treatment 1.26 0.425 4.4 1.23 0.437 4.66 6.4095 0.9996 1474996 TimTec1_003347 CCOc1ccccc1NC(=O)c2ccco2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 I04 compound treatment 1.051 0.216 2.24 1.094 0.301 3.21 3.8515 0.9843 1142378 TimTec1_003348 COc1ccc(CNS(=O)(=O)N(C)C)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 I05 compound treatment 1.168 0.333 3.45 1.193 0.4 4.27 5.4562 0.9944 3210550 TimTec1_003349 COc1cccc(c1)C(=O)N2CCCCC2C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 I06 compound treatment 1.211 0.376 3.89 1.165 0.372 3.97 5.5596 1.0 1492690 TimTec1_003350 COc1ccccc1NC(=O)Cc2ccc(Br)cc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 I07 compound treatment 0.983 0.148 1.53 0.935 0.142 1.51 2.1524 1.0 3210551 TimTec1_003351 CN(C)C(=O)c1ccccc1OC(=O)C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 I08 compound treatment 1.048 0.213 2.2 1.055 0.262 2.79 3.5349 0.9931 3084695 TimTec1_003352 O=C(Cc1cccs1)N2CCc3ccccc3C2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 I09 compound treatment 1.067 0.232 2.4 1.117 0.324 3.46 4.1424 0.9841 1220667 TimTec1_003353 COC(=O)c1ccccc1NC(=O)c2ccc3OCOc3c2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 I10 compound treatment 1.19 0.355 3.68 1.204 0.411 4.39 5.7004 0.9961 3084696 TimTec1_003354 CCN(C1CCCCC1)C(=O)CC(C)C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 I11 compound treatment 1.198 0.363 3.76 1.198 0.405 4.32 5.7137 0.9976 1615201 TimTec1_003355 CCCCC(CC)C(=O)Nc1cc(OC)ccc1OC 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 I12 compound treatment 0.89 0.0548 0.57 0.878 0.0846 0.9 1.0407 0.975 1644031 TimTec1_003356 CCCC(C)C(=O)NCc1ccncc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 I13 compound treatment 1.033 0.198 2.05 1.107 0.314 3.35 3.8179 0.9722 1727106 TimTec1_003357 NC(=O)c1ccccc1NC(=O)CC(c2ccccc2)c3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 I14 compound treatment 1.022 0.187 1.94 1.044 0.251 2.68 3.2614 0.9873 1241961 TimTec1_003358 COCC(C)NS(=O)(=O)c1ccc(F)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 I15 compound treatment 0.749 -0.0862 -0.89 0.722 -0.0714 -0.76 -1.1704 -0.997 3210552 TimTec1_003359 CC(C)(C)NC(=O)Cc1ccc(Br)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 I16 compound treatment 1.193 0.358 3.71 1.157 0.364 3.88 5.3673 0.9997 1125244 TimTec1_003360 CCC(CC)NC(=O)c1ccc2OCOc2c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 I17 compound treatment 1.12 0.285 2.95 1.127 0.334 3.56 4.6061 0.9956 3084697 TimTec1_003361 CCC(C)(C)C(=O)Nc1cc(C)cc(C)c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 I18 compound treatment 1.08 0.245 2.54 1.1 0.307 3.28 4.1092 0.992 1302744 TimTec1_003362 CCC(C)(C)C(=O)NCc1ccc2OCOc2c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 I19 compound treatment 1.075 0.24 2.48 1.062 0.269 2.87 3.7855 0.9974 3084700 TimTec1_003363 Brc1ccc(CC(=O)Nc2nccs2)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 I20 compound treatment 0.741 -0.0942 -0.98 0.652 -0.141 -1.51 -1.7578 -0.9776 3210553 TimTec1_003364 Cc1nn(c2OC(=C(C#N)C(c12)(C(F)(F)F)C(F)(F)F)N)c3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 I21 compound treatment 1.195 0.36 3.73 1.183 0.39 4.16 5.5784 0.9985 1183466 TimTec1_003365 COc1ccccc1CNC(=O)C(C)Oc2ccccc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 I22 compound treatment 1.266 0.431 4.46 1.267 0.474 5.06 6.7329 0.998 1258450 TimTec1_003366 O=C1CS(=O)(=O)C(N1c2ccccc2)c3ccc(Oc4ccccc4)cc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 I23 mock treatment 0.798 -0.0372 -0.38 0.799 0.00559 0.06 -0.2299 -0.5902 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 I24 mock treatment 0.851 0.0158 0.16 0.772 -0.0214 -0.23 -0.0457 -0.1623 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 J01 compound treatment 1.246 0.411 4.26 1.218 0.425 4.54 6.2163 0.9995 1010972 TimTec1_003367 C(Cc1ccccn1)c2ccccn2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 J02 compound treatment 0.964 0.129 1.33 0.967 0.174 1.85 2.255 0.987 1550058 TimTec1_003368 CC1(OC(=N)C2(C#N)C1c3ccccc3)OC(c4ccccc4)C2(C#N)C#N 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 J03 compound treatment 0.969 0.134 1.39 0.92 0.127 1.35 1.9365 0.9999 3084706 TimTec1_003369 OC(=O)c1ccn(COc2ccccc2)n1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 J04 compound treatment 0.722 -0.113 -1.17 0.69 -0.103 -1.1 -1.6099 -0.9996 1414868 TimTec1_003370 Oc1c(oc2ccccc2c1=O)c3ccc(F)c(Oc4ccccc4)c3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 J05 compound treatment 0.992 0.157 1.62 0.985 0.192 2.05 2.596 0.9934 3084708 TimTec1_003371 Cc1nnc(o1)C(=O)c2ccccc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 J06 compound treatment 1.078 0.243 2.52 1.068 0.275 2.93 3.8528 0.9971 1397012 TimTec1_003372 OC(=O)c1cn(C2CC2)c3cc(N4CCN(CC4)C(=S)S)c(F)cc3c1=O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 J07 compound treatment 0.971 0.136 1.41 0.917 0.124 1.32 1.9285 0.9995 1297192 TimTec1_003373 CCOc1ccc(cc1)n2c(SCC(=O)N)nc3ccccc3c2=O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 J08 compound treatment 1.065 0.23 2.38 1.087 0.294 3.14 3.9011 0.9907 3210554 TimTec1_003374 Cc1ccc(Cl)cc1NCN2C(=O)/C(=C/c3ccc(Br)cc3)/NC2=S 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 J09 compound treatment 1.113 0.278 2.88 1.162 0.369 3.94 4.8192 0.9881 1683010 TimTec1_003375 COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)Nc4ncccc4C)c2c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 J10 compound treatment 0.669 -0.166 -1.72 0.66 -0.133 -1.43 -2.2246 -0.9956 1172443 TimTec1_003376 Oc1c(Br)cc(Br)cc1C(=O)CSC(=S)N2CCOCC2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 J11 compound treatment 0.779 -0.0562 -0.58 0.683 -0.11 -1.18 -1.2453 -0.9469 3210555 TimTec1_003377 CCn1c(NC(=O)COc2cccc(c2)C(F)(F)F)nc3ccccc13 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 J12 compound treatment 0.874 0.0388 0.4 0.937 0.144 1.53 1.3692 0.8634 3084740 TimTec1_003378 CC1CN(C)C(C)/C(=C\c2ccco2)/C1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 J13 compound treatment 1.011 0.176 1.82 1.031 0.238 2.54 3.0826 0.9867 1131053 TimTec1_003379 Cc1ccc(cc1)c2nc3ccc(NCc4cccs4)cc3o2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 J14 compound treatment 0.866 0.0308 0.32 0.892 0.0986 1.05 0.9707 0.8819 3210556 TimTec1_003380 COc1ccc(cc1)C(=O)CSc2nn3c(SCC(=O)c4ccc(OC)cc4)nnc3s2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 J15 compound treatment 0.945 0.11 1.14 0.897 0.104 1.11 1.587 0.9999 1251084 TimTec1_003381 C1Cc2cn(cc2CCc3cn(cc13)c4ccccc4)c5ccccc5 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 J16 compound treatment 0.636 -0.199 -2.06 0.583 -0.21 -2.25 -3.048 -0.9991 1180362 TimTec1_003382 O=C(CSC1=NCCS1)Nc2nc(cs2)c3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 J17 compound treatment 0.836 8.44E-4 0.01 0.82 0.0266 0.28 0.2071 0.7285 1305573 TimTec1_003383 CCCc1c(C)nc2c(C)cccc2c1SCCC(=O)O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 J18 compound treatment 1.126 0.291 3.01 1.165 0.372 3.97 4.9371 0.9907 1123163 TimTec1_003384 CCN(CC)S(=O)(=O)c1ccc(Cl)c(c1)C(=O)N2c3ccccc3Sc4ccccc24 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 J19 compound treatment 0.981 0.146 1.51 0.931 0.138 1.47 2.1075 0.9999 1426086 TimTec1_003385 OC(CSc1ncnc2[nH]cnc12)c3ccc(Cl)cc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 J20 compound treatment 0.768 -0.0672 -0.7 0.721 -0.0724 -0.77 -1.0388 -0.9986 3210557 TimTec1_003386 NC(=O)/C(=C/1\C(=O)Nc2ccc(Br)cc12)/C#N 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 J21 compound treatment 0.071 -0.764 -7.91 0.044 -0.749 -8.01 -11.2575 -1.0 3084745 TimTec1_003387 Oc1c(ccc2cccnc12)C(O)(C(F)(F)F)C(F)(F)F 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 J22 compound treatment 0.956 0.121 1.25 0.903 0.11 1.17 1.7129 0.9994 1595988 TimTec1_003388 CCOC(=O)c1[nH]c(=O)[nH]c1COC(=O)CNC(=O)c2ccccc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 J23 mock treatment 0.841 0.00584 0.06 0.849 0.0556 0.59 0.4628 0.7752 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 J24 mock treatment 0.832 -0.00316 -0.03 0.766 -0.0274 -0.29 -0.2301 -0.7812 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 K01 compound treatment 1.362 0.527 5.46 1.348 0.555 5.92 8.0479 0.9992 1244666 TimTec1_003389 COc1ccc(cc1OC)C(=O)N2CCC(Cc3ccccc3)CC2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 K02 compound treatment 1.3 0.465 4.81 1.323 0.53 5.66 7.405 0.9968 3210558 TimTec1_003390 CCN(CC)C(=O)Cc1cccs1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 K03 compound treatment 1.035 0.2 2.07 0.96 0.167 1.78 2.722 0.9972 1215547 TimTec1_003391 O=C(N(CC#N)CC#N)c1ccco1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 K04 compound treatment 1.054 0.219 2.27 1.062 0.269 2.87 3.6317 0.9932 3210559 TimTec1_003392 CCc1ccccc1NC(=O)C(C)(C)CC 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 K05 compound treatment 0.736 -0.0992 -1.03 0.72 -0.0734 -0.78 -1.2807 -0.9911 1650684 TimTec1_003393 O=C(NCC#N)c1ccc(cc1)c2ccccc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 K06 compound treatment 1.087 0.252 2.61 1.078 0.285 3.04 3.9943 0.9971 3210560 TimTec1_003394 CC1CN(CC(C)O1)C(=O)Cc2ccc(Cl)cc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 K07 compound treatment 0.411 -0.424 -4.39 0.514 -0.279 -2.98 -5.217 -0.9823 3084750 TimTec1_003395 CNC(=O)c1ccc(cc1)C(C)(C)C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 K08 compound treatment 1.117 0.282 2.92 1.055 0.262 2.79 4.0402 0.9998 3210561 TimTec1_003396 CCc1ccc(NC(=O)Cc2cccs2)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 K09 compound treatment 1.145 0.31 3.21 1.109 0.316 3.37 4.6532 0.9997 1267949 TimTec1_003397 CC(NC(=O)c1ccc2OCOc2c1)c3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 K10 compound treatment 0.96 0.125 1.29 0.942 0.149 1.59 2.0368 0.9948 3084752 TimTec1_003398 CC(C)CC(=O)Nc1ccccc1C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 K11 compound treatment 0.919 0.0838 0.87 0.932 0.139 1.48 1.661 0.9677 1245827 TimTec1_003399 CCOc1ccccc1C(=O)N(CC#N)CC#N 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 K12 compound treatment 1.248 0.413 4.28 1.316 0.523 5.58 6.9713 0.9913 1351900 TimTec1_003400 CC(Oc1ccccc1)C(=O)N2CCCc3ccccc23 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 K13 compound treatment 0.957 0.122 1.26 0.863 0.0696 0.74 1.4181 0.9682 1440169 TimTec1_003401 CC(=O)Oc1ccccc1C(=O)Nc2ccc(cc2)C(=O)N 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 K14 compound treatment 1.06 0.225 2.33 1.065 0.272 2.9 3.6983 0.9941 1291221 TimTec1_003402 CCOC(=O)C1CCCN(C1)C(=O)c2ccc(F)cc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 K15 compound treatment 1.02 0.185 1.91 0.972 0.179 1.91 2.7028 1.0 1346285 TimTec1_003403 O=C(Cc1cccs1)N2CCN(CC2)c3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 K16 compound treatment 1.0 0.165 1.71 0.922 0.129 1.37 2.1787 0.9942 1313407 TimTec1_003404 CCOC(=O)C1CCCN(C1)C(=O)c2ccccc2OCC 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 K17 compound treatment 0.971 0.136 1.41 0.942 0.149 1.59 2.1174 0.9982 1513214 TimTec1_003405 CC(Oc1ccccc1)C(=O)Nc2cc(C)cc(C)c2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 K18 compound treatment 0.897 0.0618 0.64 0.86 0.0666 0.71 0.956 0.9986 1270183 TimTec1_003406 CC(Oc1ccccc1)C(=O)NCCc2ccc(cc2)S(=O)(=O)N 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 K19 compound treatment 0.884 0.0488 0.51 0.76 -0.0334 -0.36 0.1054 0.1702 3084799 TimTec1_003407 CCC(C)C(=O)Nc1nccs1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 K20 compound treatment 0.84 0.00484 0.05 0.774 -0.0194 -0.21 -0.1111 -0.521 1161699 TimTec1_003408 Cc1ccc(cc1)C2SCC(N2C(=O)c3cccc(Cl)c3)C(=O)O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 K21 compound treatment 0.972 0.137 1.42 0.914 0.121 1.29 1.9132 0.9989 1190170 TimTec1_003409 CCN(Cc1ccccc1)C(=O)C(C)Oc2ccccc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 K22 compound treatment 0.896 0.0608 0.63 0.836 0.0426 0.46 0.7674 0.9872 3210685 TimTec1_003410 CC1(CC(=NC(=N1)SCC(=O)O)n2c3ccccc3c4ccccc24)c5ccccc5 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 K23 mock treatment 0.846 0.0108 0.11 0.83 0.0366 0.39 0.3559 0.8749 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 K24 mock treatment 0.865 0.0298 0.31 0.818 0.0246 0.26 0.4043 0.9967 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 L01 compound treatment 1.019 0.184 1.9 0.981 0.188 2.0 2.7635 0.9997 3084803 TimTec1_003411 CC(C)Cc1ccc(/C=C/C(=O)N2CCOCC2)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 L02 compound treatment 0.045 -0.79 -8.18 0.048 -0.745 -7.96 -11.4177 -0.9999 3210686 TimTec1_003412 OC(=O)C1CC(=O)N(CCC2(CC3CC4CC(C3)C2)C4)/C(=N\c5ccc(Cl)cc5)/S1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 L03 compound treatment 1.227 0.392 4.06 1.228 0.435 4.64 6.1527 0.9978 3084804 TimTec1_003413 COC(=O)c1ccn(COc2ccccc2Cl)n1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 L04 compound treatment 1.032 0.197 2.04 1.047 0.254 2.71 3.3573 0.9902 1272311 TimTec1_003414 COc1ccc(NC(=O)C2(CCCCC2)N(Cc3ccccc3)C(=O)Cc4nc(N)n[nH]4)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 L05 compound treatment 1.187 0.352 3.64 1.189 0.396 4.23 5.5651 0.9973 1572389 TimTec1_003415 COC(=O)c1ccc(cc1)N2C(SC(C)C2=O)c3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 L06 compound treatment 0.732 -0.103 -1.07 0.603 -0.19 -2.03 -2.1938 -0.9548 3210687 TimTec1_003416 Fc1ccc(NC(=O)c2cccc(OC(=S)Nc3cccc(Br)c3)c2)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 L07 compound treatment 1.169 0.334 3.46 1.153 0.36 3.84 5.1614 0.9986 3084807 TimTec1_003417 CCOc1ccc(cc1)n2c(SCc3ccccc3)nnc2c4cccnc4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 L08 compound treatment 0.689 -0.146 -1.51 0.719 -0.0744 -0.79 -1.6325 -0.9548 3210688 TimTec1_003418 CC(C)(C)Cc1ccc(OCCCC(=O)O)c(CC(C)(C)C)c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 L09 compound treatment 1.072 0.237 2.45 1.085 0.292 3.12 3.9373 0.993 3210689 TimTec1_003419 Nc1c(sc2nc(cc(c12)C(F)(F)F)c3cccs3)S(=O)(=O)c4ccccc4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 L10 compound treatment 0.886 0.0508 0.53 0.864 0.0706 0.75 0.9056 0.9846 3084809 TimTec1_003420 CCN/C(=N\CC)/SC1CC(=O)N(CCc2ccccc2)C1=O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 L11 compound treatment 0.123 -0.712 -7.38 0.124 -0.669 -7.15 -10.2723 -0.9999 3210690 TimTec1_003421 CCC(N/C(=N/c1ccccc1C(=O)OC)/O)(C(F)(F)F)C(F)(F)F 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 L12 compound treatment 1.208 0.373 3.86 1.214 0.421 4.49 5.9078 0.9972 3084811 TimTec1_003422 N#Cc1ccc(nc1SCCOc2ccccc2)c3cccs3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 L13 compound treatment 0.884 0.0488 0.51 0.906 0.113 1.2 1.2083 0.9259 1139626 TimTec1_003423 CC(Oc1ccc(Cl)c(C)c1)c2nc(no2)c3nonc3N 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 L14 compound treatment 0.688 -0.147 -1.52 0.668 -0.125 -1.34 -2.0251 -0.9979 3084813 TimTec1_003424 CC(C)CSc1nc(NC(=O)C)n[nH]1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 L15 compound treatment 0.927 0.0918 0.95 0.962 0.169 1.8 1.9462 0.9555 3210691 TimTec1_003425 CC1=NC2=NN=C(NC(=O)Nc3ccc(Cl)c(Cl)c3)C2C(=C1)C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 L16 compound treatment 1.228 0.393 4.07 1.228 0.435 4.64 6.16 0.9978 3084815 TimTec1_003426 OC1(CCCCC1)C(=O)/C=C/c2ccco2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 L17 compound treatment 1.011 0.176 1.82 1.018 0.225 2.4 2.9844 0.9907 3210692 TimTec1_003427 CCOC(=O)c1ccc(NC(=S)NCCOC2(CC3CC4CC(C3)C2)C4)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 L18 compound treatment 0.965 0.13 1.34 0.951 0.158 1.68 2.1414 0.9938 1179986 TimTec1_003428 CCOC(=O)CSc1nc2ccccc2n1C(=O)Oc3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 L19 compound treatment 0.433 -0.402 -4.17 0.43 -0.363 -3.88 -5.6905 -0.9994 3084845 TimTec1_003429 Oc1cc(n[nH]1)c2ccc3ccccc3c2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 L20 compound treatment 0.906 0.0708 0.73 0.909 0.116 1.23 1.392 0.9691 3210693 TimTec1_003430 CCC(=O)NC(c1c(C)nn(c1O)c2ccccc2)(C(F)(F)F)C(F)(F)F 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 L21 compound treatment 1.113 0.278 2.88 1.109 0.316 3.37 4.4189 0.9969 1146641 TimTec1_003431 CC1(C)CC(CCNC(=O)c2ccccc2C(=O)O)(Cc3ccccc3)CCO1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 L22 compound treatment 0.979 0.144 1.49 0.993 0.2 2.13 2.5612 0.9846 1486235 TimTec1_003432 CCCC1C(c2ccccc2)C3(C#N)C(=O)NC1(O)CC3(C#N)C#N 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 L23 mock treatment 0.891 0.0558 0.58 0.851 0.0576 0.62 0.844 0.9995 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 L24 mock treatment 0.848 0.0128 0.13 0.789 -0.00441 -0.05 0.0608 0.4307 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 M01 compound treatment 1.173 0.338 3.5 1.154 0.361 3.85 5.1982 0.9988 1722217 TimTec1_003433 CCCN(CCC)C(=O)c1cc(OC)cc(OC)c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 M02 compound treatment 0.996 0.161 1.67 0.913 0.12 1.28 2.0814 0.9914 1254098 TimTec1_003434 O=C(CN1C(=O)c2ccccc2C1=O)N3CCN(Cc4ccccc4)CC3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 M03 compound treatment 1.065 0.23 2.38 1.029 0.236 2.52 3.463 0.9996 3084849 TimTec1_003435 CC1CC(C)CN(C1)C(=O)c2ccco2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 M04 compound treatment 1.082 0.247 2.56 1.129 0.336 3.59 4.3429 0.9863 1397116 TimTec1_003436 CCc1ccccc1NC(=O)C(C)Oc2ccccc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 M05 compound treatment 1.053 0.218 2.26 1.041 0.248 2.65 3.4658 0.9969 3084851 TimTec1_003437 CC(C)NC(=O)c1ccc(cc1)c2ccccc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 M06 compound treatment 0.851 0.0158 0.16 0.748 -0.0454 -0.49 -0.227 -0.4432 3210694 TimTec1_003438 CCCC(C)NC(=O)Cc1ccc(Cl)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 M07 compound treatment 1.171 0.336 3.48 1.126 0.333 3.55 4.9721 0.9999 1130565 TimTec1_003439 COc1ccc(CC(=O)N2CCCCCC2)cc1OC 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 M08 compound treatment 1.34 0.505 5.23 1.355 0.562 6.0 7.9396 0.9977 3084854 TimTec1_003440 CC(C)CCNC(=O)Cc1cccs1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 M09 compound treatment 0.948 0.113 1.17 0.918 0.125 1.33 1.7676 0.9979 1411902 TimTec1_003441 CC1CC(C)CN(C1)C(=O)c2ccc3OCOc3c2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 M10 compound treatment 1.09 0.255 2.64 1.05 0.257 2.74 3.8047 0.9998 1680018 TimTec1_003442 COc1cc(SC)ccc1C(=O)N(C)Cc2ccccc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 M11 compound treatment 1.087 0.252 2.61 1.12 0.327 3.49 4.3115 0.9897 1446751 TimTec1_003443 CCOc1ccccc1C(=O)NC2CCCCCC2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 M12 compound treatment 1.134 0.299 3.1 1.105 0.312 3.33 4.5424 0.9993 1204191 TimTec1_003444 CC1CC(C)CN(C1)C(=O)COc2ccccc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 M13 compound treatment 1.088 0.253 2.62 1.061 0.268 2.86 3.8732 0.999 1194660 TimTec1_003445 NS(=O)(=O)c1ccc(CNC(=O)c2ccccc2Oc3ccccc3)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 M14 compound treatment 0.954 0.119 1.23 0.959 0.166 1.77 2.1213 0.9843 3084858 TimTec1_003446 COCC(C)NC(=O)c1ccco1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 M15 compound treatment 0.989 0.154 1.59 0.911 0.118 1.26 2.015 0.9931 1365776 TimTec1_003447 CN(C)S(=O)(=O)N1CCN(CC1)c2ccccc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 M16 compound treatment 1.168 0.333 3.45 1.191 0.398 4.25 5.4411 0.9946 1365264 TimTec1_003448 CCOc1ccccc1C(=O)NCc2ccc3OCOc3c2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 M17 compound treatment 1.195 0.36 3.73 1.211 0.418 4.46 5.7899 0.996 3084861 TimTec1_003449 CCC(C)C(=O)Nc1ccc(Cl)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 M18 compound treatment 0.92 0.0848 0.88 0.929 0.136 1.45 1.6457 0.9713 1138474 TimTec1_003450 CCC(CC)NC(=O)C(C)Oc1ccccc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 M19 compound treatment 0.913 0.0778 0.81 0.944 0.151 1.61 1.7077 0.949 1334117 TimTec1_003451 CN(C)S(=O)(=O)N1CCC(Cc2ccccc2)CC1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 M20 compound treatment 0.914 0.0788 0.82 0.922 0.129 1.37 1.5488 0.9691 1691322 TimTec1_003452 Cc1c(sc2nc[nH]c(=O)c12)C(=O)N3CCCCC3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 M21 compound treatment 0.939 0.104 1.08 0.939 0.146 1.56 1.8604 0.9838 1214562 TimTec1_003453 CCOc1ccc(NS(=O)(=O)N(C)C)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 M22 compound treatment 0.476 -0.359 -3.72 0.543 -0.25 -2.68 -4.5219 -0.9869 3084924 TimTec1_003454 OCc1occ(O)c(=O)c1C(Nc2ccccn2)c3ccccc3O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 M23 mock treatment 0.891 0.0558 0.58 0.888 0.0946 1.01 1.1236 0.9649 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 M24 mock treatment 0.871 0.0358 0.37 0.805 0.0116 0.12 0.3501 0.8946 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 N01 compound treatment 1.142 0.307 3.18 1.123 0.33 3.52 4.737 0.9987 1273050 TimTec1_003455 Nc1ccccc1C(=O)c2ccccc2C(=O)O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 N02 compound treatment 1.009 0.174 1.8 1.01 0.217 2.31 2.9093 0.9923 1558367 TimTec1_003456 O=c1[nH]c(=S)c2CCCc2n1Cc3ccco3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 N03 compound treatment 0.972 0.137 1.42 1.006 0.213 2.27 2.6082 0.9742 3210695 TimTec1_003457 CCOC(=O)CC(=O)c1ccn(C)n1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 N04 compound treatment 0.975 0.14 1.45 0.927 0.134 1.43 2.0333 1.0 1599603 TimTec1_003458 O=C1N(CCc2cn3cccnc3n2)C(=O)c4ccccc14 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 N05 compound treatment 0.985 0.15 1.55 0.93 0.137 1.46 2.1292 0.9995 3084928 TimTec1_003459 Cc1cc(N/C=N/c2ccc(Br)c(C)c2)ccc1Br 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 N06 compound treatment 1.005 0.17 1.76 1.06 0.267 2.85 3.2578 0.9732 3210696 TimTec1_003460 O=C1CCC(=O)N1[C@H]2CC(=O)[C@@H]3OCC2O3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 N07 compound treatment 1.047 0.212 2.19 1.136 0.343 3.66 4.1395 0.97 3084930 TimTec1_003461 C/C(=C\c1ccco1)/C=N/n2c(S)nnc2COc3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 N08 compound treatment 0.822 -0.0132 -0.14 0.738 -0.0554 -0.59 -0.5149 -0.8477 3210697 TimTec1_003462 CC(C)c1ccc2c(c1)c3CCCc4cncn2c34 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 N09 compound treatment 1.014 0.179 1.85 1.009 0.216 2.3 2.9384 0.9942 3210698 TimTec1_003463 CCc1nnc(SCC(=O)Nc2cc(C)on2)[nH]1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 N10 compound treatment 0.914 0.0788 0.82 0.934 0.141 1.5 1.6395 0.959 3084933 TimTec1_003464 Brc1ccc(cc1)C(=O)CSc2ncnn2CC(=O)c3ccc(Br)cc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 N11 compound treatment 1.007 0.172 1.78 0.988 0.195 2.08 2.7285 0.997 3210816 TimTec1_003465 CCC(=O)NC(Nc1c(C)n(C)n(c2ccccc2)c1=O)(C(F)(F)F)C(F)(F)F 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 N12 compound treatment 1.182 0.347 3.59 1.205 0.412 4.4 5.6494 0.995 1413545 TimTec1_003466 O=C(NC(Cc1ccccc1)C(=O)Nc2nc(cs2)c3ccccc3)Oc4ccccc4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 N13 compound treatment 1.025 0.19 1.97 1.041 0.248 2.65 3.2607 0.9893 1677156 TimTec1_003467 Cc1ccccc1C(=O)c2ccc3n(C)c(=O)n(C)c3c2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 N14 compound treatment 1.059 0.224 2.32 1.047 0.254 2.71 3.555 0.997 3210817 TimTec1_003468 COc1ccc(CN/C(=N\c2ccccc2)/SC3CC(=O)N(C)C3=O)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 N15 compound treatment 1.218 0.383 3.97 1.204 0.411 4.39 5.9055 0.9987 3084935 TimTec1_003469 CC1(CCCCC12)N=C(c3ccccc3)C42C=CC(=O)C=C4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 N16 compound treatment 1.194 0.359 3.72 1.212 0.419 4.47 5.7902 0.9958 3084936 TimTec1_003470 CC(C)(C)n1nnc(n1)c2ccccc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 N17 compound treatment 1.098 0.263 2.72 1.092 0.299 3.19 4.1806 0.9969 3210818 TimTec1_003471 O=C(C1=NNC2C1C(=O)N(C2=O)c3ccccc3)c4cccnc4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 N18 compound treatment 1.266 0.431 4.46 1.215 0.422 4.5 6.3401 1.0 1154895 TimTec1_003472 CCOc1ccc2nc(SCc3ccc4OCOc4c3)sc2c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 N19 compound treatment 1.03 0.195 2.02 0.997 0.204 2.18 2.9649 0.9993 1179027 TimTec1_003473 CCOC(=O)C1C(=S)NC(=C(C#N)C21CCCCC2)N 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 N20 compound treatment 1.008 0.173 1.79 0.968 0.175 1.87 2.5847 0.9998 1721930 TimTec1_003474 OC(c1nn(C2CC(=O)C3OCC2O3)c(=S)n1c4ccccc4)c5ccccc5 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 N21 compound treatment 1.404 0.569 5.89 1.412 0.619 6.61 8.8389 0.9984 1317806 TimTec1_003475 O=c1cc(sc(=O)[nH]1)c2ccccc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 N22 compound treatment 0.827 -0.00816 -0.08 0.816 0.0226 0.24 0.1109 0.4338 1416310 TimTec1_003476 CCOC(=O)CSc1nc2ccccc2n1C(=O)Nc3cccc(Cl)c3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 N23 mock treatment 0.906 0.0708 0.73 0.921 0.128 1.36 1.4827 0.9578 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 N24 mock treatment 0.877 0.0418 0.43 0.808 0.0146 0.16 0.4167 0.9047 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 O01 compound treatment 0.816 -0.0192 -0.2 0.732 -0.0614 -0.66 -0.6042 -0.8815 1395834 TimTec1_003477 COc1ccc(CNC(=O)c2ccc(C)c(C)c2)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 O02 compound treatment 0.979 0.144 1.49 0.943 0.15 1.6 2.1835 0.9994 1184377 TimTec1_003478 CCN(C(=O)C(C)Oc1ccccc1)c2ccccc2C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 O03 compound treatment 0.951 0.116 1.2 0.937 0.144 1.53 1.9331 0.9926 1539114 TimTec1_003479 O=C(NC(c1ccccc1)c2ccccc2)c3ccco3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 O04 compound treatment 1.147 0.312 3.23 1.188 0.395 4.22 5.2646 0.9913 3210819 TimTec1_003480 CC1CCCCN1C(=O)Cc2ccc(Cl)cc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 O05 compound treatment 1.074 0.239 2.47 1.073 0.28 2.99 3.8613 0.9956 3084942 TimTec1_003481 CC(=O)N(Cc1ccccc1)c2ccccn2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 O06 compound treatment 0.567 -0.268 -2.78 0.622 -0.171 -1.83 -3.2587 -0.9796 3210820 TimTec1_003482 CN(Cc1ccccc1)C(=O)CCc2ccccc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 O07 compound treatment 0.96 0.125 1.29 0.97 0.177 1.89 2.2483 0.983 1675811 TimTec1_003483 O=C(CC(c1ccccc1)c2ccccc2)NCCN3CCOCC3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 O08 compound treatment 1.064 0.229 2.37 1.12 0.327 3.49 4.1431 0.9822 1696603 TimTec1_003484 NS(=O)(=O)c1ccc(NC(=O)C(Sc2ccccc2)c3ccccc3)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 O09 compound treatment 0.908 0.0728 0.75 0.926 0.133 1.42 1.5351 0.9565 1437606 TimTec1_003485 CN(Cc1ccccc1)C(=O)c2ccc3OCOc3c2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 O10 compound treatment 0.747 -0.0882 -0.91 0.738 -0.0554 -0.59 -1.0642 -0.978 1671134 TimTec1_003486 COc1cc(SC)ccc1C(=O)N2CCc3ccccc3C2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 O11 compound treatment 0.669 -0.166 -1.72 0.618 -0.175 -1.87 -2.5419 -0.9991 1515374 TimTec1_003487 COc1ccc(cc1)C(=O)Nc2ccc(C)cn2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 O12 compound treatment 1.015 0.18 1.86 0.973 0.18 1.92 2.6738 0.9999 1496160 TimTec1_003488 COC(=O)C1CCN(CC1)C(=O)c2ccccc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 O13 compound treatment 0.967 0.132 1.37 0.939 0.146 1.56 2.0654 0.9979 1544697 TimTec1_003489 CCCC(C)NC(=O)N1CCOCC1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 O14 compound treatment 1.067 0.232 2.4 1.114 0.321 3.42 4.1198 0.9849 1536093 TimTec1_003490 COCC(C)NC(=O)c1cccc(OC)c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 O15 compound treatment 1.022 0.187 1.94 1.069 0.276 2.94 3.4503 0.9793 1517922 TimTec1_003491 O=C(C(Sc1ccccc1)c2ccccc2)N(CC#N)CC#N 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 O16 compound treatment 0.493 -0.342 -3.54 0.525 -0.268 -2.87 -4.5334 -0.9945 3210821 TimTec1_003492 CCC(CC)NC(=O)Cc1ccc(Cl)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 O17 compound treatment 1.002 0.167 1.73 0.999 0.206 2.2 2.775 0.993 1289736 TimTec1_003493 CCC(C(=O)NCC1CCCO1)c2ccccc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 O18 compound treatment 1.031 0.196 2.03 1.019 0.226 2.41 3.1385 0.9963 1234784 TimTec1_003494 COC(=O)C1CCN(CC1)C(=O)C(C)Oc2ccccc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 O19 compound treatment 1.285 0.45 4.66 1.329 0.536 5.72 7.3404 0.9948 1449934 TimTec1_003495 COc1cc(SC)ccc1C(=O)NC(C)C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 O20 compound treatment 0.41 -0.425 -4.4 0.397 -0.396 -4.23 -6.1082 -0.9998 3210822 TimTec1_003496 C/C(=N\c1ccc(cc1)C(=O)O)/c2cc3c(=O)n(C)c4ccccc4c3oc2=O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 O21 compound treatment 0.678 -0.157 -1.63 0.698 -0.0954 -1.02 -1.8717 -0.9746 1156038 TimTec1_003497 CCOc1ccc(NC(=O)C(C)Oc2ccccc2)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 O22 compound treatment 0.787 -0.0482 -0.5 0.728 -0.0654 -0.7 -0.8468 -0.9863 3085019 TimTec1_003498 OCc1coc(O)c(CN2CCc3ccccc3C2)c1=O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 O23 mock treatment 0.907 0.0718 0.74 0.908 0.115 1.22 1.3918 0.9715 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 O24 mock treatment 0.893 0.0578 0.6 0.853 0.0596 0.64 0.8738 0.9995 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 P01 compound treatment 1.105 0.27 2.79 1.111 0.318 3.39 4.3754 0.9954 3210823 TimTec1_003499 COC[C@@H]1N=C(C)OC1c2ccccc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 P02 compound treatment 0.451 -0.384 -3.98 0.372 -0.421 -4.5 -5.9968 -0.9981 1133107 TimTec1_003500 CCN(CC)CCc1c(C)c2ccc(O)cc2oc1=O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 P03 compound treatment 1.155 0.32 3.31 1.167 0.374 3.99 5.1646 0.9957 3085021 TimTec1_003501 Cc1ccc(NC(=O)c2ccn(n2)C(=O)Nc3cccc(Cl)c3)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 P04 compound treatment 1.269 0.434 4.49 1.25 0.457 4.88 6.6265 0.9992 3210824 TimTec1_003502 Cc1nnc(c2ccccc2)c(=O)n1/N=C/c3cccs3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 P05 compound treatment 1.218 0.383 3.97 1.198 0.405 4.32 5.8602 0.9991 3210825 TimTec1_003503 OC(c1nnc(SCc2ccc(Br)cc2)n1c3ccccc3)c4ccccc4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 P06 compound treatment 1.168 0.333 3.45 1.133 0.34 3.63 5.003 0.9997 3085024 TimTec1_003504 CC1CCC(C)C(C1)NC(=O)c2ccc(I)cc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 P07 compound treatment 1.245 0.41 4.24 1.257 0.464 4.95 6.5036 0.9971 3210826 TimTec1_003505 CCN(C(=O)C)c1nnc(CSc2nc3ccccc3s2)s1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 P08 compound treatment 0.835 -1.56E-4 0.0 0.809 0.0156 0.17 0.1167 0.7002 3085026 TimTec1_003506 Cc1nc2cc3ccccc3cc2c(=O)n1CCCNC4CCCCC4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 P09 compound treatment 1.114 0.279 2.89 1.111 0.318 3.39 4.4413 0.9968 1712637 TimTec1_003507 COCc1cc(C)nc2sc3c4nc5ccccc5n4nnc3c12 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 P10 compound treatment 1.056 0.221 2.29 1.06 0.267 2.85 3.6313 0.9941 1522827 TimTec1_003508 O=C(Cc1cccc2ccccc12)NN3C(=O)C4C5CC(C=C5)C4C3=O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 P11 compound treatment 1.051 0.216 2.24 1.039 0.246 2.62 3.436 0.9968 1560331 TimTec1_003509 CC1(C)OC(=O)N(CC2CCCO2)C1(C)O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 P12 compound treatment 0.955 0.12 1.24 0.872 0.0786 0.84 1.4714 0.9819 1246647 TimTec1_003510 O=C(Nc1nc(cs1)c2ccccc2)Oc3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 P13 compound treatment 1.157 0.322 3.33 1.153 0.36 3.84 5.0735 0.9975 1591772 TimTec1_003511 Cc1nn2c3CC(C)(C)CC(=O)c3cnc2c1c4ccccc4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 P14 compound treatment 1.003 0.168 1.74 0.978 0.185 1.97 2.6237 0.998 3210827 TimTec1_003512 CCOC(=O)C1(O)CC(=NN1C(=O)c2cccc(Cl)c2)C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 P15 compound treatment 0.631 -0.204 -2.11 0.649 -0.144 -1.54 -2.586 -0.988 1520262 TimTec1_003513 COC(=O)c1ccc(cc1)C2N(Cc3ccccc3)CCN2Cc4ccccc4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 P16 compound treatment 0.624 -0.211 -2.19 0.774 -0.0194 -0.21 -1.693 -0.7707 3085100 TimTec1_003514 OC1=C/C(=N\c2ccc(F)c(c2)C(F)(F)F)/c3ccccc3C1=O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 P17 compound treatment 0.995 0.16 1.66 0.977 0.184 1.96 2.5575 0.9964 1236032 TimTec1_003515 Fc1nc(F)c(F)c(SC(=S)N2CCOCC2)c1F 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 P18 compound treatment 1.017 0.182 1.88 1.08 0.287 3.06 3.4967 0.9728 1437494 TimTec1_003516 CCC(C)c1ccc(NC(=O)C2CC=CCC2C(=O)O)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 P19 compound treatment 1.091 0.256 2.65 1.096 0.303 3.23 4.1595 0.9951 1266457 TimTec1_003517 CC(=O)OC1CC(C)(C)N(OC(=O)c2ccc(cc2)n3cnnn3)C(C)(C)C1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 P20 compound treatment 1.009 0.174 1.8 0.951 0.158 1.68 2.4636 0.9994 3085103 TimTec1_003518 NC(=N)SCc1nc(N)nc(n1)N2CCCCC2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 P21 compound treatment 1.102 0.267 2.76 1.114 0.321 3.42 4.3761 0.9943 3210828 TimTec1_003519 C(Sc1nnc(c2ccccc2)n1c3ccccc3)C4CCOCO4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 P22 compound treatment 1.026 0.191 1.98 1.002 0.209 2.23 2.9734 0.9982 1431856 TimTec1_003520 CCC(C)(OC1CCCCO1)C#CCN2CCN(C)CC2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 P23 mock treatment 0.947 0.112 1.16 0.914 0.121 1.29 1.7301 0.9986 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2072 P24 mock treatment 0.859 0.0238 0.25 0.818 0.0246 0.26 0.3604 0.9995 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 A01 compound treatment 1.015 0.197 2.04 1.013 0.21 2.25 3.0324 0.9989 3210829 TimTec1_003521 CCC(Sc1nncn1C)C(=O)Nc2ccc(OC(F)(F)F)cc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 A02 compound treatment 0.879 0.0611 0.63 0.833 0.0303 0.32 0.6766 0.9515 1243143 TimTec1_003522 Cc1nc2ccccc2n1c3ccc(cc3)S(=O)(=O)N 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 A03 compound treatment 0.046 -0.772 -7.99 0.047 -0.756 -8.07 -11.3615 -1.0 1268944 TimTec1_003523 CSc1nc2cc(Oc3ccc4ccccc4c3)c(Cl)cc2[nH]1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 A04 compound treatment 1.311 0.493 5.11 1.241 0.438 4.68 6.9225 0.9991 3085107 TimTec1_003524 O=C(Nc1ccc2ccccc2c1)/C(=C/c3ccco3)/c4ccccc4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 A05 compound treatment 0.042 -0.776 -8.04 0.042 -0.761 -8.13 -11.4285 -1.0 3210949 TimTec1_003525 O=C1OC2(CCCC2)OC(=O)C1=Cc3ccc(OCc4ccccc4)cc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 A06 compound treatment 0.048 -0.77 -7.97 0.051 -0.752 -8.03 -11.3166 -1.0 3210950 TimTec1_003526 Clc1ccc(cc1)C(=O)/C=C/2\C(=O)Nc3ccccc23 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 A07 compound treatment 0.944 0.126 1.31 0.937 0.134 1.43 1.9383 0.9989 1188087 TimTec1_003527 COc1cc2CCN3C(C(C)C(=O)C4=C3CSCC4=O)c2cc1OC 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 A08 compound treatment 0.933 0.115 1.19 0.913 0.11 1.18 1.6764 1.0 3210951 TimTec1_003528 S=C(N1CCCC1)c2cccs2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 A09 compound treatment 0.677 -0.141 -1.46 0.707 -0.0957 -1.02 -1.7545 -0.9849 1606147 TimTec1_003529 Cc1oc(c(CN2CCOCC2)c1C(=O)O)C(C)(C)C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 A10 compound treatment 0.052 -0.766 -7.93 0.06 -0.743 -7.93 -11.2193 -1.0 3085108 TimTec1_003530 Cc1ccc(C)c(c1)c2csc(N)c2C#N 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 A11 compound treatment 0.847 0.0291 0.3 0.876 0.0733 0.78 0.7671 0.914 1212994 TimTec1_003531 Cn1cnnc1SCC(=O)N2c3ccccc3Sc4ccc(Cl)cc24 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 A12 compound treatment 0.806 -0.0119 -0.12 0.801 -0.00169 -0.02 -0.0997 -0.8022 1431522 TimTec1_003532 CCOC(=O)c1oc2ccc(OC)cc2c1CN3CCN(C)CC3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 A13 compound treatment 0.555 -0.263 -2.72 0.639 -0.164 -1.75 -3.1617 -0.9771 1733965 TimTec1_003533 CCC1(C)Oc2ccc(NC(=O)c3cc(F)c(F)cc3Cl)cc2O1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 A14 compound treatment 0.774 -0.0439 -0.45 0.832 0.0293 0.31 -0.0999 -0.181 1590249 TimTec1_003534 CC1CCC2C(C)(CO)C(O)CCC2(C)C31CCC(C)(CO)O3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 A15 compound treatment 0.773 -0.0449 -0.46 0.799 -0.00369 -0.04 -0.3565 -0.7643 1408570 TimTec1_003535 OCCCN1C(=O)c2ccccc2C1(O)Cc3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 A16 compound treatment 0.823 0.00512 0.05 0.792 -0.0107 -0.11 -0.0432 -0.3431 1133958 TimTec1_003536 O=C(COC(=O)CSc1nnc([nH]1)c2ccccc2)NC3CCCCC3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 A17 compound treatment 0.704 -0.114 -1.18 0.749 -0.0537 -0.57 -1.2395 -0.9451 3085112 TimTec1_003537 COC(=O)c1c(N)oc2c(c3cccc(c3)C(F)(F)F)c4c(C(=O)OC)c(N)oc4cc12 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 A18 compound treatment 1.101 0.283 2.93 1.07 0.267 2.86 4.0928 0.9999 1479296 TimTec1_003538 CCc1cccc2c(CCNC(=O)COc3ccc(F)cc3F)c(C)[nH]c12 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 A19 compound treatment 0.799 -0.0189 -0.2 0.725 -0.0777 -0.83 -0.7251 -0.8504 1638558 TimTec1_003539 COC(=O)c1cc(nc2ccccc12)N3CCNCC3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 A20 compound treatment 0.782 -0.0359 -0.37 0.85 0.0473 0.51 0.0947 0.1509 3085182 TimTec1_003540 Cc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)NCCOC2(CC3CC4CC(C3)C2)C4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 A21 compound treatment 0.825 0.00712 0.07 0.806 0.00331 0.04 0.0772 0.9433 1636785 TimTec1_003541 CC(C)C(=O)Nc1nc(OC(=O)N(c2ccccc2)c3ccccc3)c4nc[nH]c4n1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 A22 compound treatment 0.903 0.0851 0.88 0.876 0.0733 0.78 1.1772 0.9983 1508388 TimTec1_003542 O=C(OCc1ccc2nonc2c1)c3c4CCCCc4nc5ccccc35 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 A23 mock treatment 0.679 -0.139 -1.44 0.672 -0.131 -1.4 -2.0043 -0.9999 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 A24 mock treatment 0.792 -0.0259 -0.27 0.779 -0.0237 -0.25 -0.3684 -0.9996 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 B01 compound treatment 0.99 0.172 1.78 0.872 0.0693 0.74 1.7842 0.9243 3085184 TimTec1_003543 CC12CCC(=O)N2c3ccccc3C(=O)N1c4ccccc4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 B02 compound treatment 0.946 0.128 1.33 0.842 0.0393 0.42 1.2353 0.8875 1731017 TimTec1_003544 CCCCc1c(C)nc2c(OC)cccc2c1SCCC(=O)O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 B03 compound treatment 0.171 -0.647 -6.7 0.183 -0.62 -6.62 -9.4187 -1.0 1552863 TimTec1_003545 Fc1ccc(Sc2c(F)c(F)nc(N3CCNCC3)c2F)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 B04 compound treatment 1.104 0.286 2.96 1.053 0.25 2.67 3.9864 0.9987 3210952 TimTec1_003546 COc1ccc2C(Nc3nc4ccc(OC(F)(F)F)cc4s3)OC(=O)c2c1OC 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 B05 compound treatment 0.68 -0.138 -1.43 0.627 -0.176 -1.88 -2.3369 -0.9909 3085186 TimTec1_003547 Fc1ccc(cc1)N2C(=O)/C(=C/N3CCCCC3)/SC2=S 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 B06 compound treatment 0.875 0.0571 0.59 0.879 0.0763 0.82 0.9948 0.9876 3210953 TimTec1_003548 COC(=O)c1ccc(CSc2nnc3n(N)cnn23)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 B07 compound treatment 1.021 0.203 2.1 1.0 0.197 2.11 2.9781 1.0 3085188 TimTec1_003549 Cc1cc(nc(SCc2ccccc2)c1C#N)c3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 B08 compound treatment 0.074 -0.744 -7.7 0.089 -0.714 -7.62 -10.8391 -1.0 1390724 TimTec1_003550 COC(c1cccs1)c2c(C)[nH]c3ccccc23 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 B09 compound treatment 0.663 -0.155 -1.6 0.706 -0.0967 -1.03 -1.8646 -0.9773 3210954 TimTec1_003551 Oc1ccccc1c2nc(O)c3c4CCCCc4sc3n2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 B10 compound treatment 0.766 -0.0519 -0.54 0.752 -0.0507 -0.54 -0.7628 -1.0 3085190 TimTec1_003552 Cc1ccc(/C=C\2/SC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)o1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 B11 compound treatment 0.068 -0.75 -7.77 0.066 -0.737 -7.87 -11.0568 -1.0 3210955 TimTec1_003553 Cc1sc2nc(nc(O)c2c1C)c3ccccc3O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 B12 compound treatment 1.167 0.349 3.62 1.088 0.285 3.05 4.7121 0.9964 1921968 TimTec1_003554 Cc1c(Cl)cccc1NC(=O)c2cccs2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 B13 compound treatment 0.851 0.0331 0.34 0.88 0.0773 0.83 0.8266 0.9243 1218019 TimTec1_003555 CC(NC(=O)C1CCCN1S(=O)(=O)c2ccccc2)c3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 B14 compound treatment 1.159 0.341 3.53 1.12 0.317 3.39 4.8953 0.9998 3085194 TimTec1_003556 CCOc1cc(/C=C\2/S\C(=N/C)\N(C)C2=O)ccc1OCC(=O)N 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 B15 compound treatment 0.263 -0.555 -5.75 0.271 -0.532 -5.68 -8.0801 -1.0 1154943 TimTec1_003557 CC1C(=O)OC(c2ccc(Br)cc2)C(C)(C)C1=O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 B16 compound treatment 0.245 -0.573 -5.93 0.258 -0.545 -5.82 -8.3102 -1.0 3085196 TimTec1_003558 Cc1ccc(SCC(=O)N[C@@H]2C[C@H]3CC[C@@H]2C3)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 B17 compound treatment 0.719 -0.0989 -1.02 0.71 -0.0927 -0.99 -1.4243 -0.9999 1526862 TimTec1_003559 Cc1cc(Cl)ccc1OCC(=O)Nc2sc3CCCc3c2C#N 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 B18 compound treatment 0.172 -0.646 -6.69 0.19 -0.613 -6.55 -9.3585 -0.9999 1571119 TimTec1_003560 OC(=O)CCC(=O)Nc1ccccn1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 B19 compound treatment 1.007 0.189 1.96 0.974 0.171 1.83 2.6792 0.9994 1209861 TimTec1_003561 Cc1ccc(cc1)N(CC(O)CN2C(=O)NC(C)(C)C2=O)S(=O)(=O)c3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 B20 compound treatment 0.825 0.00712 0.07 0.823 0.0203 0.22 0.2056 0.8971 1692625 TimTec1_003562 Cc1ccc(cc1)C(=O)Nc2ccc3OCOc3c2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 B21 compound treatment 0.057 -0.761 -7.88 0.062 -0.741 -7.91 -11.1676 -1.0 3085199 TimTec1_003563 CC(C)Cc1ccc(cc1)c2cc(O)[nH]n2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 B22 compound treatment 0.704 -0.114 -1.18 0.722 -0.0807 -0.86 -1.4435 -0.9881 1410378 TimTec1_003564 OC(=O)c1ccc(O)c(SCN2CCCCC2)c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 B23 mock treatment 0.765 -0.0529 -0.55 0.798 -0.00469 -0.05 -0.4226 -0.7686 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 B24 mock treatment 0.758 -0.0599 -0.62 0.732 -0.0707 -0.76 -0.9725 -0.9952 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 C01 compound treatment 1.273 0.455 4.71 1.255 0.452 4.83 6.75 0.9999 3085266 TimTec1_003565 FC(F)(F)Oc1ccc(NC(=O)COC(=O)/C=C\c2ccco2)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 C02 compound treatment 1.221 0.403 4.18 1.198 0.395 4.22 5.9386 1.0 3085268 TimTec1_003566 C[C@H]1[C@@H]2CC(C)(C)CC[C@]2(CO)CCC1=O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 C03 compound treatment 0.147 -0.671 -6.95 0.149 -0.654 -6.98 -9.8513 -1.0 1199129 TimTec1_003567 CN1CCN(CC1)c2ccc(Nc3ccnc4cc(Cl)ccc34)cc2Cl 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 C04 compound treatment 0.953 0.135 1.4 0.868 0.0653 0.7 1.483 0.9483 3085270 TimTec1_003568 CC1=CC(c2ccc(F)cc2)C(CC1)(C(=O)O)C(=O)n3nc(C)cc3C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 C05 compound treatment 0.876 0.0581 0.6 0.867 0.0643 0.69 0.9115 0.9978 3210956 TimTec1_003569 CC(=O)NC(N1CCCC1=O)(C(F)(F)F)C(F)(F)F 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 C06 compound treatment 0.757 -0.0609 -0.63 0.704 -0.0987 -1.05 -1.1913 -0.9698 1250474 TimTec1_003570 OC(=O)Cc1csc2nc(cn12)c3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 C07 compound treatment 1.134 0.316 3.27 1.079 0.276 2.95 4.4025 0.9987 1127712 TimTec1_003571 Nn1c(CSc2nc3ccccc3o2)nnc1CSc4nc5ccccc5o4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 C08 compound treatment 0.667 -0.151 -1.56 0.693 -0.11 -1.17 -1.9335 -0.9899 3085273 TimTec1_003572 O/N=C/c1ccc(cc1)N2CCOCC2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 C09 compound treatment 0.822 0.00412 0.04 0.846 0.0433 0.46 0.3574 0.7691 3210957 TimTec1_003573 CC(C)C1C(=NN(C1=S)c2ccccc2)O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 C10 compound treatment 1.444 0.626 6.48 1.453 0.65 6.95 9.4981 0.9994 1006805 TimTec1_003574 NC(C(O)c1ccccc1)C(=O)O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 C11 compound treatment 0.85 0.0321 0.33 0.823 0.0203 0.22 0.3887 0.9786 1375728 TimTec1_003575 COCc1cc(C)nc2sc(C(O)c3ccccc3)c(NC(=O)c4ccco4)c12 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 C12 compound treatment 1.003 0.185 1.92 1.001 0.198 2.12 2.8539 0.9988 1319536 TimTec1_003576 C=CCn1c(nn(CCC#N)c1=S)c2ccccc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 C13 compound treatment 0.814 -0.00388 -0.04 0.772 -0.0307 -0.33 -0.2602 -0.7878 1138165 TimTec1_003577 O=C(NC1CC1)c2n[nH]c(=O)c3ccccc23 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 C14 compound treatment 0.613 -0.205 -2.12 0.635 -0.168 -1.79 -2.7672 -0.9965 1631186 TimTec1_003578 CSc1ncnc2n(CN3CCOCC3)cnc12 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 C15 compound treatment 0.771 -0.0469 -0.49 0.695 -0.108 -1.15 -1.1568 -0.9264 3085277 TimTec1_003579 CCN(CC)c1nc(OC)nc(C#N)n1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 C16 compound treatment 1.01 0.192 1.99 1.035 0.232 2.48 3.162 0.994 1237261 TimTec1_003580 C(Nc1nc(NC2CCCCC2)nc(n1)N3CCOCC3)c4ccccc4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 C17 compound treatment 1.016 0.198 2.05 0.935 0.132 1.41 2.4505 0.9834 1373918 TimTec1_003581 COc1ccc(cc1)C(=O)Nc2ccccc2C3(C)CC3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 C18 compound treatment 1.259 0.441 4.57 1.217 0.414 4.43 6.3604 0.9999 1306307 TimTec1_003582 Cn1c(=S)n(CCSc2nc3ccccc3n2c4ccccc4)c5ccccc15 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 C19 compound treatment 1.072 0.254 2.63 1.05 0.247 2.64 3.7293 1.0 3085281 TimTec1_003583 Cc1ccccc1n2c(n[nH]c2=S)c3ccc(Br)cc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 C20 compound treatment 0.859 0.0411 0.43 0.831 0.0283 0.3 0.5151 0.9859 1451733 TimTec1_003584 CCOC(=O)c1ccc(CNS(=O)(=O)c2ccc(cc2)S(=O)(=O)N3CCOCC3)o1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 C21 compound treatment 0.93 0.112 1.16 0.959 0.156 1.67 2.002 0.9842 1387125 TimTec1_003585 COC(C)(OCCn1c2ccccc2c3ccccc13)c4ccccc4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 C22 compound treatment 0.939 0.121 1.25 0.911 0.108 1.16 1.7053 0.9992 1631435 TimTec1_003586 CCOC(=O)c1ccc(CNC(=O)c2ccc(cc2)S(=O)(=O)c3ccccc3)o1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 C23 mock treatment 0.726 -0.0919 -0.95 0.707 -0.0957 -1.02 -1.3957 -0.9994 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 C24 mock treatment 0.743 -0.0749 -0.78 0.763 -0.0397 -0.42 -0.8482 -0.9596 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 D01 compound treatment 1.41 0.592 6.13 1.382 0.579 6.19 8.7127 1.0 3211082 TimTec1_003587 COc1nc(Nc2ccccc2)nc(OCC(F)(F)F)n1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 D02 compound treatment 0.879 0.0611 0.63 0.834 0.0313 0.33 0.6842 0.9555 3085284 TimTec1_003588 Cn1c(=O)[nH]c(=O)c2n(CCC/N=C\3/CCCCN3)cnc12 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 D03 compound treatment 1.318 0.5 5.18 1.432 0.629 6.72 8.4166 0.9917 1240788 TimTec1_003589 CCOc1cc(ccc1OC)C2N(CC3N2CCc4ccccc34)S(=O)(=O)c5ccc(C)cc5 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 D04 compound treatment 0.906 0.0881 0.91 0.843 0.0403 0.43 0.9499 0.9412 2108247 TimTec1_003590 CCOC(=O)[C@@H]1[C@@H]2NC(=O)N[C@@]1(C)Oc3ccccc23 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 D05 compound treatment 1.055 0.237 2.46 1.039 0.236 2.52 3.5218 0.9999 1269248 TimTec1_003591 CCN(CC)C(=S)Oc1ccc(cc1)C(=O)Nc2cccc3ccccc23 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 D06 compound treatment 0.845 0.0271 0.28 0.827 0.0243 0.26 0.3823 0.9992 3085357 TimTec1_003592 Cc1cc([nH]c(=O)c1C#N)C(F)(F)F 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 D07 compound treatment 1.174 0.356 3.69 1.095 0.292 3.12 4.8163 0.9966 1389688 TimTec1_003593 COc1cccc(c1)c2nnc(SCc3ccc(C#N)cc3Cl)n2CC=C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 D08 compound treatment 0.93 0.112 1.16 1.01 0.207 2.21 2.3872 0.9546 3085358 TimTec1_003594 CCOC(=O)C1=CN(C=C(C1c2ccccc2F)C(=O)OCC)c3ccc(C)c(C)c3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 D09 compound treatment 1.188 0.37 3.83 1.176 0.373 3.99 5.5307 0.9998 1652064 TimTec1_003595 Fc1ccccc1CSc2nnc3c4ccccc4n(CC=C)c3n2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 D10 compound treatment 0.854 0.0361 0.37 0.843 0.0403 0.43 0.5691 0.9975 3211083 TimTec1_003596 COc1ccc(/C=C/2\S/C(=N/c3ccc(cc3)N4CCOCC4)/N(C)C2=O)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 D11 compound treatment 1.191 0.373 3.86 1.17 0.367 3.92 5.5074 1.0 1144490 TimTec1_003597 COc1ccc(cc1)c2cc(nc(SCC(=O)N3CCCCC3)c2C#N)c4ccccc4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 D12 compound treatment 0.849 0.0311 0.32 0.835 0.0323 0.35 0.472 0.9994 1614237 TimTec1_003598 CCc1ccc(NC(=O)C2(CC3CC4CC(C3)C2)C4)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 D13 compound treatment 1.12 0.302 3.13 1.117 0.314 3.36 4.587 0.9994 1504270 TimTec1_003599 Clc1ccccc1COc2ccc(cc2)N3CC(CC3=O)C(=O)N4CCOCC4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 D14 compound treatment 0.694 -0.124 -1.28 0.689 -0.114 -1.21 -1.766 -0.9996 3085361 TimTec1_003600 Cc1cc(ccc1/C=N/n2cnnc2)N3CCOCC3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 D15 compound treatment 0.883 0.0651 0.67 0.863 0.0603 0.64 0.9326 0.9997 1542891 TimTec1_003601 CN(c1ccc(Cl)cc1)S(=O)(=O)c2cccc(c2)C(=O)Nc3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 D16 compound treatment 1.168 0.35 3.63 1.13 0.327 3.5 5.0367 0.9998 3085364 TimTec1_003602 Cc1ccc(/C=N\n2nnnc2N)s1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 D17 compound treatment 0.813 -0.00488 -0.05 0.781 -0.0217 -0.23 -0.1995 -0.8415 1515864 TimTec1_003603 COC(=O)N1CCC(=O)Nc2ccccc12 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 D18 compound treatment 0.868 0.0501 0.52 0.837 0.0343 0.37 0.6263 0.9855 3211084 TimTec1_003604 COc1ccccc1N/C(=N\O)/C(=N/O)/Nc2ccccc2OC 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 D19 compound treatment 1.23 0.412 4.27 1.195 0.392 4.19 5.9818 1.0 1479338 TimTec1_003605 CC1=CCC(C(C1)C(=O)Nc2ccc(cc2)c3nc4ccc(C)cc4s3)C(=O)O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 D20 compound treatment 0.817 -8.75E-4 -0.01 0.832 0.0293 0.31 0.215 0.6864 1527622 TimTec1_003606 CN(C)Cc1c(O)ccc2c(=O)c(Oc3cc(C)cc(C)c3)coc12 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 D21 compound treatment 0.956 0.138 1.43 0.986 0.183 1.96 2.3963 0.9881 3211085 TimTec1_003607 Fc1ccc(cc1)C(=O)/C=C\2/NCC3N(CCc4ccccc34)C2=O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 D22 compound treatment 0.808 -0.00987 -0.1 0.782 -0.0207 -0.22 -0.2286 -0.9387 1154370 TimTec1_003608 Cc1ccccc1NC(=O)C2CC(O)CN2C(=O)OCc3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 D23 mock treatment 0.795 -0.0229 -0.24 0.785 -0.0177 -0.19 -0.3011 -0.9937 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 D24 mock treatment 0.756 -0.0619 -0.64 0.738 -0.0647 -0.69 -0.9418 -0.9993 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 E01 compound treatment 0.968 0.15 1.55 1.029 0.226 2.42 2.8091 0.9772 1604889 TimTec1_003609 Cc1ccc(cc1C(=O)N2CCCCCC2)S(=O)(=O)NCc3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 E02 compound treatment 1.091 0.273 2.83 1.007 0.204 2.18 3.5437 0.9918 1585521 TimTec1_003610 CCn1cc(C(=O)O)c(=O)c2cc(F)c(NN3C(SCC3=O)c4ccccc4Cl)cc12 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 E03 compound treatment 1.168 0.35 3.63 1.122 0.319 3.41 4.9763 0.9995 3085369 TimTec1_003611 CC(N1C(=CC(C)(C)NC1=S)C)c2ccccc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 E04 compound treatment 0.863 0.0451 0.47 0.807 0.00431 0.05 0.3631 0.7731 2114263 TimTec1_003612 COc1cc2CCN(C)c3cc4cc(OC)c(OC)cc4c(c1OC)c23 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 E05 compound treatment 0.14 -0.678 -7.02 0.156 -0.647 -6.91 -9.8497 -1.0 3085371 TimTec1_003613 CC1CCc2ccccc2N1C(=N)Nc3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 E06 compound treatment 0.763 -0.0549 -0.57 0.717 -0.0857 -0.92 -1.0492 -0.9737 3211086 TimTec1_003614 Cc1c(/C=N/c2ccc(cc2)N3CCOCC3)c4ccccc4n1C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 E07 compound treatment 1.475 0.657 6.81 1.504 0.701 7.49 10.1103 0.9988 3211087 TimTec1_003615 COc1ccc(cc1OC)C2=Nn3cnnc3SC2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 E08 compound treatment 0.824 0.00612 0.06 0.861 0.0583 0.62 0.4854 0.7751 3085373 TimTec1_003616 NS(=O)(=O)c1ccc(cc1)n2cccc2/C=N/n3cnnc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 E09 compound treatment 0.82 0.00212 0.02 0.879 0.0763 0.82 0.592 0.7259 3211088 TimTec1_003617 Cc1nn2C(=O)NC(Nc2c1c3ccccc3)(C(F)(F)F)C(F)(F)F 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 E10 compound treatment 0.401 -0.417 -4.32 0.421 -0.382 -4.08 -5.9364 -0.9996 1518082 TimTec1_003618 CN(Cn1c(=O)oc2ccccc12)C3CCCCC3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 E11 compound treatment 1.221 0.403 4.18 1.196 0.393 4.2 5.9235 1.0 1594658 TimTec1_003619 COc1ccc(CCn2c3CCCc3c(=S)[nH]c2=O)cc1OC 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 E12 compound treatment 0.43 -0.388 -4.02 0.498 -0.305 -3.26 -5.1423 -0.9946 3211089 TimTec1_003620 CCOC(=O)c1c(C)sc2c(C)c(C)[nH]c12 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 E13 compound treatment 0.815 -0.00288 -0.03 0.777 -0.0257 -0.27 -0.2151 -0.7793 3084338 TimTec1_003621 COCc1cc(C)nc2sc3c(O)nc(nc3c12)c4ccccc4O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 E14 compound treatment 1.282 0.464 4.81 1.204 0.401 4.29 6.4306 0.9984 1260196 TimTec1_003622 OC(COc1ccccc1)CSc2nc3ccccc3o2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 E15 compound treatment 0.97 0.152 1.58 0.952 0.149 1.6 2.242 1.0 1328330 TimTec1_003623 CCOC(=O)CC(Nc1nc(nc(n1)N2CCOCC2)N3CCOCC3)c4ccc(C)cc4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 E16 compound treatment 0.907 0.0891 0.92 0.864 0.0613 0.66 1.1159 0.9859 3084342 TimTec1_003624 CC(=O)OCN1CCN(COC(=O)C)C1=O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 E17 compound treatment 0.888 0.0701 0.73 0.89 0.0873 0.93 1.1731 0.9923 1565142 TimTec1_003625 CN(C)S(=O)(=O)c1cc(C(=O)NCC2CCCO2)c(Cl)cc1Cl 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 E18 compound treatment 0.149 -0.669 -6.93 0.164 -0.639 -6.82 -9.7233 -1.0 1165026 TimTec1_003626 OC(=O)Cc1c([nH]c2ccccc12)C(=O)O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 E19 compound treatment 1.128 0.31 3.21 1.072 0.269 2.88 4.3057 0.9985 3211090 TimTec1_003627 CC(C)C(N1C(=O)c2ccccc2C1=O)C(=O)OC3CSCC3NC(=O)c4ccccc4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 E20 compound treatment 0.913 0.0951 0.99 0.977 0.174 1.86 2.0134 0.9557 1227495 TimTec1_003628 Fc1ccc(Oc2cc(C#N)c(C#N)cc2n3nnc4ccccc34)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 E21 compound treatment 0.812 -0.00587 -0.06 0.851 0.0483 0.52 0.3219 0.6195 1507098 TimTec1_003629 COc1ccccc1NC(=O)NC(C)(C)c2cccc(c2)C(=C)C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 E22 compound treatment 0.443 -0.375 -3.88 0.467 -0.336 -3.59 -5.2813 -0.9992 3084346 TimTec1_003630 CC1(C)Cc2ccccc2C(=N1)CSc3nc(cc(n3)C(F)(F)F)c4ccco4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 E23 mock treatment 0.819 0.00112 0.01 0.725 -0.0777 -0.83 -0.5786 -0.6971 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 E24 mock treatment 0.785 -0.0329 -0.34 0.754 -0.0487 -0.52 -0.6086 -0.9789 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 F01 compound treatment 1.011 0.193 2.0 0.943 0.14 1.5 2.4743 0.9899 1683155 TimTec1_003631 Cc1cc(C(=O)N2CCCC2C(=O)O)c(C)o1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 F02 compound treatment 0.078 -0.74 -7.66 0.078 -0.725 -7.74 -10.893 -1.0 1413129 TimTec1_003632 Brc1ccccc1OCc2ccc(cc2)C(=O)Nc3cccnc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 F03 compound treatment 1.113 0.295 3.06 1.045 0.242 2.59 3.9918 0.9966 3084349 TimTec1_003633 CC1CC(n2ncnc2N1C(=O)CSc3nc4ccccc4o3)C(F)(F)F 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 F04 compound treatment 0.876 0.0581 0.6 0.872 0.0693 0.74 0.9493 0.9947 1033523 TimTec1_003634 Nc1ncnc2n(CCO)cnc12 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 F05 compound treatment 0.219 -0.599 -6.2 0.05 -0.753 -8.04 -10.0718 -0.9918 3209122 TimTec1_003635 O/N=C/1\CCCCc2c1[nH]c3ccc(cc23)C4CCCCC4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 F06 compound treatment 0.896 0.0781 0.81 0.854 0.0513 0.55 0.9598 0.982 1204260 TimTec1_003636 CC1(CC2(C)CC3(CN)C1)CC(CCN)(C2)C3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 F07 compound treatment 0.948 0.13 1.35 0.922 0.119 1.27 1.8543 0.9996 3209123 TimTec1_003637 COc1ccc(cc1)c2cs/c(=N\c3cc(ccc3C)C(=O)O)/o2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 F08 compound treatment 0.889 0.0711 0.74 0.875 0.0723 0.77 1.0672 0.9997 3084352 TimTec1_003638 Clc1ccc(SCCC(=O)NCc2ccncc2)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 F09 compound treatment 0.821 0.00312 0.03 0.825 0.0223 0.24 0.1914 0.7958 1270422 TimTec1_003639 CN(C)CCC(C)(O)Cc1ccccc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 F10 compound treatment 0.905 0.0871 0.9 0.901 0.0983 1.05 1.3807 0.9971 3084354 TimTec1_003640 CCOC(=O)CN1C(=O)S/C(=C\c2ccc(o2)c3ccc(Cl)cc3Cl)/C1=O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 F11 compound treatment 0.741 -0.0769 -0.8 0.72 -0.0827 -0.88 -1.1876 -0.9987 1341261 TimTec1_003641 COc1ccc(cc1)N2CCN(CC2)C(=O)c3ccc(C#CC4(O)CCCCC4)cc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 F12 compound treatment 0.416 -0.402 -4.16 0.439 -0.364 -3.89 -5.6905 -0.9994 1151583 TimTec1_003642 O=C(N1CCN(CC1)c2ccccc2)C3(CC4CC5CC(C4)C3)C5 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 F13 compound treatment 0.754 -0.0639 -0.66 0.742 -0.0607 -0.65 -0.9262 -0.9999 3084357 TimTec1_003643 CC1(CC(=O)Nc2ccccc2)NN=C(S1)c3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 F14 compound treatment 1.263 0.445 4.61 1.244 0.441 4.71 6.5937 0.9999 3209124 TimTec1_003644 Brc1cc(/C=C(/C#N)\c2ccccc2)oc1Br 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 F15 compound treatment 0.864 0.0461 0.48 0.926 0.123 1.32 1.2693 0.9058 3084359 TimTec1_003645 Oc1cc(nc(SCCOc2ccccc2F)n1)c3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 F16 compound treatment 0.442 -0.376 -3.89 0.495 -0.308 -3.29 -5.0771 -0.9965 1917462 TimTec1_003646 Nc1cc(N)nc(SCc2ccccc2)n1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 F17 compound treatment 0.999 0.181 1.88 0.981 0.178 1.9 2.6735 1.0 3084427 TimTec1_003647 C/C(=C/1\C(CC(=CC1=O)c2ccc(C)o2)c3ccccc3)/O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 F18 compound treatment 0.054 -0.764 -7.91 0.054 -0.749 -8.0 -11.25 -1.0 1100509 TimTec1_003648 CCOC(=O)CSc1sc(C(=O)OCC)c(N)c1C#N 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 F19 compound treatment 0.595 -0.223 -2.31 0.618 -0.185 -1.97 -3.0274 -0.9969 1681303 TimTec1_003649 CCC(=O)Oc1cc2c(C)cc(=O)oc2cc1Cl 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 F20 compound treatment 0.884 0.0661 0.68 0.857 0.0543 0.58 0.8946 0.9966 1277376 TimTec1_003650 Brc1ccccc1OCC(=O)Nc2ccc(cc2)C(=O)OC3CCCCC3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 F21 compound treatment 0.985 0.167 1.73 0.973 0.17 1.82 2.5105 0.9997 1591398 TimTec1_003651 O=c1[nH]c2ccccc2c(=O)n1CCc3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 F22 compound treatment 0.866 0.0481 0.5 0.802 -6.87E-4 -0.01 0.3473 0.6966 3209125 TimTec1_003652 COC(=O)Cn1nnc(c2nnn(COC(=O)C)c2c3ccccc3)c1c4ccccc4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 F23 mock treatment 0.816 -0.00188 -0.02 0.802 -6.87E-4 -0.01 -0.0189 -0.9115 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 F24 mock treatment 0.83 0.0121 0.13 0.768 -0.0347 -0.37 -0.1732 -0.4428 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 G01 compound treatment 0.957 0.139 1.44 0.925 0.122 1.31 1.9429 0.9988 1145213 TimTec1_003653 O=C(N1CC(=O)N(OCc2ccccc2)C1c3cccs3)c4ccccc4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 G02 compound treatment 0.046 -0.772 -7.99 0.051 -0.752 -8.03 -11.3313 -1.0 3209126 TimTec1_003654 CCN(CC)c1ccc(O)c(/C=N/N2C(=O)/C(=C/c3ccco3)/N=C2c4ccccc4)c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 G03 compound treatment 0.959 0.141 1.46 0.944 0.141 1.51 2.101 0.9999 1490785 TimTec1_003655 CC1(C)CC(CC(C)(C)N1O)NC(=O)c2ccncc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 G04 compound treatment 0.964 0.146 1.51 0.932 0.129 1.38 2.047 0.999 3209127 TimTec1_003656 CN(C)Cc1c(N)cc2ccccc2c1c3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 G05 compound treatment 0.954 0.136 1.41 0.904 0.101 1.08 1.7623 0.9915 3084709 TimTec1_003657 FC(F)(F)C1(NC(=O)N2C(=CSC2=N1)C3CC3)C(F)(F)F 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 G06 compound treatment 1.18 0.362 3.75 1.118 0.315 3.37 5.034 0.9986 3209128 TimTec1_003658 O=C1NC(=O)/C(=C\Nc2sc3CCCCc3c2C#N)/C(=O)N1Cc4ccco4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 G07 compound treatment 0.744 -0.0739 -0.77 0.743 -0.0597 -0.64 -0.9919 -0.9959 3084710 TimTec1_003659 CSC1=NC(C)(C)CC21C=CC(=O)C(=C2)C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 G08 compound treatment 0.755 -0.0629 -0.65 0.721 -0.0817 -0.87 -1.0776 -0.9896 3209129 TimTec1_003660 CN(C)c1ccc(/N=C\2/C(=C(C#N)C(=O)N(CCO)C2=O)C)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 G09 compound treatment 0.474 -0.344 -3.56 0.48 -0.323 -3.45 -4.956 -0.9999 1338522 TimTec1_003661 N#CCCn1c(nc2ccccc12)c3cncs3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 G10 compound treatment 0.859 0.0411 0.43 0.874 0.0713 0.76 0.8399 0.9623 1169940 TimTec1_003662 O=S(=O)(Nc1ccncc1)c2ccc3ccccc3c2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 G11 compound treatment 0.099 -0.719 -7.45 0.1 -0.703 -7.51 -10.573 -1.0 1221383 TimTec1_003663 O=C1CC(C2COC1O2)n3c(=O)oc4ccccc34 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 G12 compound treatment 1.07 0.252 2.61 1.05 0.247 2.64 3.7147 1.0 1480783 TimTec1_003664 COc1ccccc1OCC(=O)NC2CCCCC2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 G13 compound treatment 1.036 0.218 2.26 1.008 0.205 2.19 3.1484 0.9999 1147932 TimTec1_003665 Cc1ccc(cc1)c2cc3cc(C)c(C#N)c(N4CCCCCC4)n3c2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 G14 compound treatment 1.051 0.233 2.41 1.03 0.227 2.43 3.4245 1.0 2105438 TimTec1_003666 CC1CC(=O)N(N(C)C)C(C#N)(C#N)C1(C#N)C#N 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 G15 compound treatment 0.893 0.0751 0.78 0.905 0.102 1.09 1.3231 0.9861 3084711 TimTec1_003667 CC(NC1=C(C(=O)/C=C/c2ccccc2)C(=O)CC(C)(C)C1)C(=O)O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 G16 compound treatment 1.177 0.359 3.72 1.132 0.329 3.52 5.1178 0.9996 1284183 TimTec1_003668 CCOC(=O)N1CCN(CC1)C(=O)c2ccco2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 G17 compound treatment 0.76 -0.0579 -0.6 0.795 -0.00769 -0.08 -0.4819 -0.7965 3209130 TimTec1_003669 Nc1nc(CSc2nnc(c3cccnc3)n2CC=C)nc(n1)N4CCCCC4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 G18 compound treatment 1.083 0.265 2.75 0.988 0.185 1.98 3.3415 0.9871 1317072 TimTec1_003670 Cn1c(=S)n(CCSc2nc3ccccc3[nH]2)c4ccccc14 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 G19 compound treatment 1.366 0.548 5.68 1.375 0.572 6.11 8.3376 0.9993 3209131 TimTec1_003671 O=C1Nc2ccccc2Oc3cc(Sc4ccccc4)ccc13 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 G20 compound treatment 0.832 0.0141 0.15 0.878 0.0753 0.8 0.6724 0.8222 3084712 TimTec1_003672 CCn1c(C)nnc1SCc2ccccc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 G21 compound treatment 0.84 0.0221 0.23 0.84 0.0373 0.4 0.4439 0.9654 1214067 TimTec1_003673 COc1ccc(cc1)C2CC(O)CC(c3ccc(OC)cc3)C24C(=O)NC(=O)NC4=O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 G22 compound treatment 0.326 -0.492 -5.09 0.319 -0.484 -5.17 -7.2561 -1.0 3084713 TimTec1_003674 CC1(C)Cc2ccccc2C(=N1)CSc3nc(c4CCCCc4n3)C(F)(F)F 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 G23 mock treatment 0.802 -0.0159 -0.16 0.765 -0.0377 -0.4 -0.401 -0.922 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 G24 mock treatment 0.84 0.0221 0.23 0.764 -0.0387 -0.41 -0.1302 -0.2756 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 H01 compound treatment 0.994 0.176 1.82 0.911 0.108 1.16 2.1081 0.9759 1713697 TimTec1_003675 Cc1oc(cc1C(=O)N2CCCC2C(=O)O)C(C)(C)C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 H02 compound treatment 1.367 0.549 5.69 1.305 0.502 5.37 7.8161 0.9996 3209132 TimTec1_003676 COc1ccc(cc1OC)c2cc(nc(SC3CC(O)C4OCC3O4)n2)C(F)(F)F 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 H03 compound treatment 0.933 0.115 1.19 0.868 0.0653 0.7 1.3365 0.9674 3084714 TimTec1_003677 CCN1C(=O)/C(=C\c2ccc(cc2Cl)N(C)C)/OC1=S 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 H04 compound treatment 0.972 0.154 1.6 0.957 0.154 1.65 2.2945 0.9999 1418481 TimTec1_003678 CC(C)C1NC(=O)N(C1=O)c2ccccc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 H05 compound treatment 0.882 0.0641 0.66 0.856 0.0533 0.57 0.8724 0.9971 3209133 TimTec1_003679 COC(=O)c1ccn(n1)C(=O)c2ccnn2C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 H06 compound treatment 0.913 0.0951 0.99 0.876 0.0733 0.78 1.2505 0.9935 1349643 TimTec1_003680 CCCNS(=O)(=O)c1nc2nc(C)cc(C)n2n1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 H07 compound treatment 1.078 0.26 2.69 1.001 0.198 2.12 3.4031 0.9929 3209134 TimTec1_003681 Cc1cc(=O)oc2c3/C(=C/c4ccccc4)/C(=O)Oc3ccc12 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 H08 compound treatment 0.175 -0.643 -6.66 0.204 -0.599 -6.4 -9.2307 -0.9998 3209135 TimTec1_003682 CSc1cccc(NC(=O)c2ccc(CN3CCOCC3)cc2)c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 H09 compound treatment 0.626 -0.192 -1.99 0.739 -0.0637 -0.68 -1.8863 -0.898 1565759 TimTec1_003683 COc1ccccc1CNc2ccc3n(cnc3c2)c4ccccc4OC 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 H10 compound treatment 0.964 0.146 1.51 0.943 0.14 1.5 2.1301 1.0 3209136 TimTec1_003684 O=C1NC(=O)/C(=C/c2cn(Cc3ccccc3C#N)c4ccccc24)/N1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 H11 compound treatment 1.031 0.213 2.21 1.017 0.214 2.29 3.1798 0.9998 1298968 TimTec1_003685 CCOc1ccccc1C2C(C#N)C(=O)NC(=C2C#N)SCC=C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 H12 compound treatment 0.94 0.122 1.26 0.927 0.124 1.33 1.8335 0.9997 1242991 TimTec1_003686 O=C(N1CCCC1)c2ccccc2NS(=O)(=O)c3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 H13 compound treatment 1.338 0.52 5.39 1.213 0.41 4.38 6.9087 0.9948 1005358 TimTec1_003687 O=C(CC(C#N)c1ccccc1)c2ccccc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 H14 compound treatment 0.947 0.129 1.34 0.961 0.158 1.69 2.1416 0.9932 3209137 TimTec1_003688 COC(=O)c1c(NC(=O)/C=C/c2ccccc2)sc3CCCCc13 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 H15 compound treatment 0.759 -0.0589 -0.61 0.702 -0.101 -1.08 -1.1918 -0.9639 1564252 TimTec1_003689 CCc1ccc(cc1)N2C(=O)c3ccccc3NC2(C)C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 H16 compound treatment 0.876 0.0581 0.6 0.905 0.102 1.09 1.1986 0.9605 1096919 TimTec1_003690 CN1C(=O)C(O)(CC(=O)c2ccccc2)c3ccccc13 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 H17 compound treatment 0.923 0.105 1.09 0.92 0.117 1.25 1.6561 0.9975 1339640 TimTec1_003691 Cc1cccc(C)c1NC(=O)C2(CCCCC2)N(Cc3ccco3)C(=O)Cc4nc(N)n[nH]4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 H18 compound treatment 0.866 0.0481 0.5 0.89 0.0873 0.93 1.012 0.9569 3084715 TimTec1_003692 Cc1ccc(cc1)C(=O)N/C(=C\c2cn(nc2c3ccccc3)c4ccccc4)/C(=O)O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 H19 compound treatment 0.888 0.0701 0.73 0.904 0.101 1.08 1.2789 0.9812 1493856 TimTec1_003693 Oc1cc(n[nH]1)C2(CC3CC4CC(C3)C2)C4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 H20 compound treatment 1.235 0.417 4.32 1.015 0.212 2.27 4.6587 0.9548 3084716 TimTec1_003694 Cc1ccc(CSc2ncnn2Cc3ccc(C)cc3)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 H21 compound treatment 1.236 0.418 4.33 1.148 0.345 3.69 5.6707 0.9968 1254494 TimTec1_003695 COc1ccc(cc1)c2csc(n2)N3CCCC3C(=O)OCc4ccccc4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 H22 compound treatment 1.321 0.503 5.21 1.315 0.512 5.47 7.5548 0.9997 1446415 TimTec1_003696 COc1ccc(Cn2cc(nn2)c3ccccc3)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 H23 mock treatment 0.825 0.00712 0.07 0.804 0.00131 0.01 0.0621 0.8267 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 H24 mock treatment 0.757 -0.0609 -0.63 0.787 -0.0157 -0.17 -0.5643 -0.865 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 I01 compound treatment 0.044 -0.774 -8.02 0.042 -0.761 -8.13 -11.4139 -1.0 1413623 TimTec1_003697 COC(=O)COc1ccc(CSc2nc3ccccc3c(=O)n2C)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 I02 compound treatment 0.967 0.149 1.54 1.004 0.201 2.15 2.6129 0.9868 1057656 TimTec1_003698 Nc1ncnc2n(cnc12)C3OC(CO)C=C3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 I03 compound treatment 1.137 0.319 3.31 1.059 0.256 2.74 4.2734 0.9956 3084720 TimTec1_003699 Cc1ccc(Nc2nc(C)cc(C)n2)c(Br)c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 I04 compound treatment 0.282 -0.536 -5.55 0.335 -0.468 -5.0 -7.4575 -0.9986 3209257 TimTec1_003700 Nc1cc(c2ccccc2)c3ccccc3n1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 I05 compound treatment 1.158 0.34 3.52 1.018 0.215 2.3 4.1174 0.9787 1406532 TimTec1_003701 Fc1ccccc1n2nnnc2SCC(=O)N3c4ccccc4Sc5ccc(Cl)cc35 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 I06 compound treatment 1.036 0.218 2.26 0.99 0.187 2.0 3.0124 0.9982 3084723 TimTec1_003702 CN1C(=O)C(=CNCc2ccc3OCOc3c2)C(=O)N(C)C1=S 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 I07 compound treatment 1.364 0.546 5.66 1.381 0.578 6.18 8.3683 0.999 3209258 TimTec1_003703 COc1ccc(/C=c\2/[nH]\c(=C\C(=O)c3ccccc3)\c(=O)[nH]c2=O)cc1OC 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 I08 compound treatment 1.079 0.261 2.7 1.181 0.378 4.04 4.7702 0.9809 1466355 TimTec1_003704 COc1ccc(Cl)cc1C(=O)Nc2ccc(NC(=O)c3ccco3)cc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 I09 compound treatment 1.0 0.182 1.89 1.008 0.205 2.19 2.8848 0.9972 3209259 TimTec1_003705 OC(=O)C1CSC(N1C(=O)c2ccccc2F)c3ccccc3Cl 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 I10 compound treatment 1.073 0.255 2.64 1.032 0.229 2.45 3.6007 0.9993 1721830 TimTec1_003706 COC(=O)CC1=C(C)C(=O)CC2C(C)(C)CCC[C@@]21C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 I11 compound treatment 0.926 0.108 1.12 0.924 0.121 1.3 1.7083 0.9974 3209260 TimTec1_003707 FC(F)(F)c1nnc(NC(=O)CN2C(=O)C3C4CC(C=C4)C3C2=O)s1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 I12 compound treatment 0.949 0.131 1.36 0.86 0.0573 0.61 1.3933 0.9352 3084757 TimTec1_003708 CN(C)C(=O)Cn1c(=O)oc2ccccc12 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 I13 compound treatment 0.805 -0.0129 -0.13 0.824 0.0213 0.23 0.0667 0.2528 3084758 TimTec1_003709 O=C(CSc1nc2ccccc2o1)NCCOC3(CC4CC5CC(C4)C3)C5 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 I14 compound treatment 0.761 -0.0569 -0.59 0.807 0.00431 0.05 -0.3839 -0.6498 1684184 TimTec1_003710 COc1ccc(cc1OC)C(O)c2nccn2Cc3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 I15 compound treatment 0.182 -0.636 -6.59 0.167 -0.636 -6.79 -9.459 -0.9999 3209261 TimTec1_003711 CCCc1c(C#N)c(N)nc(SCCCN2CCN(CC2)c3cccc(Cl)c3)c1C#N 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 I16 compound treatment 0.645 -0.173 -1.79 0.726 -0.0767 -0.82 -1.8454 -0.9372 3084761 TimTec1_003712 NC(=S)N1N=C(CC1c2ccccc2)c3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 I17 compound treatment 0.882 0.0641 0.66 0.849 0.0463 0.49 0.8195 0.9895 3209262 TimTec1_003713 O=C(Nc1ccccc1)/N=c\2/[nH]c(=O)c3ccccc3s2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 I18 compound treatment 0.611 -0.207 -2.14 0.62 -0.183 -1.95 -2.8951 -0.9989 1743320 TimTec1_003714 CC1CC(NCc2ccccc2)N(N1c3ccccc3)C(=O)C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 I19 compound treatment 0.929 0.111 1.15 0.953 0.15 1.61 1.9493 0.9867 3209263 TimTec1_003715 NC(=O)CC1=NC(=O)CS1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 I20 compound treatment 0.971 0.153 1.59 1.012 0.209 2.24 2.7026 0.9858 1279387 TimTec1_003716 CC(=O)Nc1cccc(c1O)c2cc(=O)c3ccccc3o2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 I21 compound treatment 0.373 -0.445 -4.61 0.351 -0.452 -4.83 -6.6702 -0.9997 3084764 TimTec1_003717 CC1(C)COC(=N1)/C=C(\N)/c2ccc(Br)cc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 I22 compound treatment 1.153 0.335 3.47 1.123 0.32 3.42 4.874 1.0 1589286 TimTec1_003718 Clc1ccc(cc1)S(=O)(=O)c2cccc(c2)S(=O)(=O)N3CCC(=O)C4CCCCC43 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 I23 mock treatment 0.744 -0.0739 -0.77 0.71 -0.0927 -0.99 -1.2412 -0.9919 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 I24 mock treatment 0.802 -0.0159 -0.16 0.733 -0.0697 -0.74 -0.6427 -0.843 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 J01 compound treatment 0.859 0.0411 0.43 0.811 0.00831 0.09 0.364 0.8365 1383518 TimTec1_003719 Cc1nc(Oc2ccc(Cl)cc2)c(C(=O)O)c(C)c1Cl 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 J02 compound treatment 0.303 -0.515 -5.33 0.322 -0.481 -5.14 -7.4019 -0.9998 1251766 TimTec1_003720 COc1ccc(OC)c(Nc2nc(cs2)c3c(C)nc4sccn34)c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 J03 compound treatment 1.084 0.266 2.76 1.057 0.254 2.72 3.8701 1.0 3084768 TimTec1_003721 CCN/1C(=O)CS\C1=N/N2CCOCC2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 J04 compound treatment 1.166 0.348 3.61 1.098 0.295 3.15 4.7804 0.9978 3209264 TimTec1_003722 CC(C)CC1NC(=O)N(C1=O)c2ccccc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 J05 compound treatment 1.214 0.396 4.1 1.229 0.426 4.55 6.1215 0.9986 3084770 TimTec1_003723 FC(F)(F)C(=O)Nc1ccc2nn(nc2c1)c3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 J06 compound treatment 0.747 -0.0709 -0.73 0.782 -0.0207 -0.22 -0.6753 -0.8809 3209265 TimTec1_003724 Oc1ccccc1N2CCCC2=N 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 J07 compound treatment 0.529 -0.289 -2.99 0.49 -0.313 -3.34 -4.4777 -0.9985 3084773 TimTec1_003725 Nc1cc(ccc1Sc2nc3ccccc3s2)C(F)(F)F 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 J08 compound treatment 1.165 0.347 3.6 1.138 0.335 3.58 5.0752 1.0 3209266 TimTec1_003726 O=C(CCSc1ccccc1)NCc2ccco2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 J09 compound treatment 0.954 0.136 1.41 0.905 0.102 1.09 1.7698 0.9921 1504517 TimTec1_003727 COc1cc(ccc1O)C(=O)OC2CC3CCC(C2)N3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 J10 compound treatment 1.269 0.451 4.67 1.298 0.495 5.29 7.0455 0.9981 3084774 TimTec1_003728 CCOC(=O)CN1C(=O)S/C(=C\c2ccccc2OCc3ccccc3F)/C1=O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 J11 compound treatment 1.128 0.31 3.21 1.106 0.303 3.24 4.5625 1.0 1209465 TimTec1_003729 NC(=O)c1oc2ccccc2c1NC(=O)CSc3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 J12 compound treatment 0.808 -0.00987 -0.1 0.804 0.00131 0.01 -0.0624 -0.6045 3084776 TimTec1_003730 CCOC(=O)C1=C(C)N/C(=C/c2ccccc2)/C1=O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 J13 compound treatment 1.034 0.216 2.24 1.066 0.263 2.81 3.5719 0.9936 1488603 TimTec1_003731 CSC1=C(C#N)C(C2=C(CCCC2=O)N1)c3ccccc3Cl 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 J14 compound treatment 1.145 0.327 3.39 1.084 0.281 3.01 4.5208 0.9982 3084778 TimTec1_003732 CN(Cc1ccccc1)C(=O)c2ccccc2Cl 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 J15 compound treatment 1.09 0.272 2.82 1.041 0.238 2.55 3.7932 0.9987 1610985 TimTec1_003733 Cn1cnnc1c2cccc(NC(=O)C(c3ccccc3)c4ccccc4)c2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 J16 compound treatment 0.969 0.151 1.57 0.945 0.142 1.52 2.1818 0.9999 1385134 TimTec1_003734 COc1cc(ccc1OCc2ccc(Cl)cc2)C(=O)NCc3cccnc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 J17 compound treatment 1.138 0.32 3.32 1.119 0.316 3.38 4.7339 1.0 1566664 TimTec1_003735 Nc1nonc1c2nc3ccccc3n2Cc4ccc(F)cc4Cl 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 J18 compound treatment 0.905 0.0871 0.9 0.892 0.0893 0.95 1.3127 0.9996 3209267 TimTec1_003736 O=C(NC1CCS(=O)(=O)C1)/C(=C/c2ccccc2)/NC(=O)c3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 J19 compound treatment 0.096 -0.722 -7.48 0.103 -0.7 -7.47 -10.5723 -1.0 1711733 TimTec1_003737 Cn1c(S)nnc1COc2ccc(cc2)C(C)(C)c3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 J20 compound treatment 1.357 0.539 5.58 1.358 0.555 5.93 8.1433 0.9995 1660155 TimTec1_003738 CC(Oc1ccc2c3CCCc3c(=O)oc2c1)C(=O)c4ccccc4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 J21 compound treatment 1.189 0.371 3.84 1.156 0.353 3.77 5.3869 1.0 1699825 TimTec1_003739 COc1cccc(c1)C(=O)NCC2(CCCC2)c3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 J22 compound treatment 1.318 0.5 5.18 1.205 0.402 4.3 6.7018 0.9957 1582857 TimTec1_003740 Oc1c(c2ccn(n2)c3ccccc3)c(=O)n(c4ccccc4)c5ccccc15 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 J23 mock treatment 0.849 0.0311 0.32 0.855 0.0523 0.56 0.6231 0.9658 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 J24 mock treatment 0.833 0.0151 0.16 0.84 0.0373 0.4 0.3926 0.9167 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 K01 compound treatment 1.159 0.341 3.53 1.194 0.391 4.18 5.4543 0.9965 1297374 TimTec1_003741 OC(=O)c1ccc(CSc2nnnn2C3CCCCC3)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 K02 compound treatment 1.153 0.335 3.47 1.193 0.39 4.17 5.4028 0.9958 1280009 TimTec1_003742 Brc1ccccc1C(CC(=O)c2ccccc2)C3C(=O)NC(=O)NC3=O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 K03 compound treatment 0.972 0.154 1.6 0.961 0.158 1.69 2.3247 0.9996 3084823 TimTec1_003743 CCC(=C1C(=O)NC(=O)NC1=O)Nc2ccccc2N 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 K04 compound treatment 1.033 0.215 2.23 1.006 0.203 2.17 3.1113 0.9999 3209268 TimTec1_003744 Cc1ccc(cc1)c2cc(O)nc3ccccc23 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 K05 compound treatment 1.061 0.243 2.52 1.065 0.262 2.8 3.7621 0.9986 3209269 TimTec1_003745 O=c1[nH]c(=S)c2CCCc2n1N3CCOCC3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 K06 compound treatment 1.002 0.184 1.91 0.932 0.129 1.38 2.3253 0.9875 1426461 TimTec1_003746 CS(=O)(=O)N(CCC#N)Cc1ccco1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 K07 compound treatment 1.116 0.298 3.09 1.081 0.278 2.97 4.2858 0.9998 1414086 TimTec1_003747 COc1cccc(c1)C2N(C(=O)C(=C2C(=O)c3ccc(Cl)cc3)O)c4ccc(OCC(=O)O)cc4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 K08 compound treatment 0.896 0.0781 0.81 0.933 0.13 1.39 1.5566 0.9667 1107242 TimTec1_003748 O=S(=O)(Nc1cccnc1)c2ccccc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 K09 compound treatment 0.976 0.158 1.64 0.995 0.192 2.05 2.6108 0.9937 1611751 TimTec1_003749 CCOC(=O)c1ccc(cc1)N2C(C(Oc3ccccc3)C2=O)c4ccc(OCC)cc4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 K10 compound treatment 1.333 0.515 5.34 1.289 0.486 5.2 7.4462 0.9999 3084827 TimTec1_003750 Cc1c(N=C2c3ccccc3-c4ccccc24)c(=O)n(c5ccccc5)n1C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 K11 compound treatment 1.232 0.414 4.29 1.212 0.409 4.37 6.1249 1.0 1139869 TimTec1_003751 CCOC(=O)C1=C(NC(=O)C(C#N)C21CCCCC2)SCC(=O)Nc3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 K12 compound treatment 1.362 0.544 5.64 1.353 0.55 5.88 8.1421 0.9998 3084829 TimTec1_003752 CC(NC(=O)Oc1c(Cl)cc(Cl)c2ccccc12)(C(F)(F)F)C(F)(F)F 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 K13 compound treatment 0.564 -0.254 -2.63 0.565 -0.238 -2.54 -3.6548 -0.9998 1248629 TimTec1_003753 CC1(C)CC(C)(c2ccccc2)c3ccccc3N1C(=O)c4ccco4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 K14 compound treatment 0.888 0.0701 0.73 0.947 0.144 1.54 1.6037 0.941 1738055 TimTec1_003754 NS(=O)(=O)c1ccccc1C(=O)N2CCN(CC2)C(=O)c3ccccc3S(=O)(=O)N 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 K15 compound treatment 0.9 0.0821 0.85 0.935 0.132 1.41 1.601 0.9705 3211496 TimTec1_003755 Fc1ccc(NC(=O)CS(=O)(=O)c2ccc(cc2Cl)C(F)(F)F)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 K16 compound treatment 1.052 0.234 2.42 0.981 0.178 1.9 3.0616 0.9929 3084832 TimTec1_003756 CCOC(=O)Nc1cccc2nsnc12 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 K17 compound treatment 0.896 0.0781 0.81 0.875 0.0723 0.77 1.1184 0.9997 3211497 TimTec1_003757 CCCCC(CC)CSc1nc2cccnc2[nH]1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 K18 compound treatment 0.455 -0.363 -3.76 0.412 -0.391 -4.17 -5.6089 -0.9986 3211498 TimTec1_003758 Clc1ccc(Cl)c(c1)S(=O)(=O)NCCOC2(CC3CC4CC(C3)C2)C4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 K19 compound treatment 0.995 0.177 1.83 1.002 0.199 2.13 2.8028 0.9972 3084834 TimTec1_003759 NC(=O)Oc1cccc2ccccc12 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 K20 compound treatment 1.082 0.264 2.74 1.112 0.309 3.3 4.2709 0.9956 1510460 TimTec1_003760 Fc1ccc(CC2Sc3nc4ccccc4n3C2=O)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 K21 compound treatment 0.88 0.0621 0.64 0.835 0.0323 0.35 0.6991 0.9574 3084866 TimTec1_003761 Cc1ccc(cc1)C(F)(F)C(F)(F)c2ccccc2c3nn[nH]n3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 K22 compound treatment 0.834 0.0161 0.17 0.874 0.0713 0.76 0.6568 0.8421 3211499 TimTec1_003762 Cn1nnc(n1)N2C(C(=C(O)C2=O)C(=O)c3ccco3)c4ccccc4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 K23 mock treatment 0.794 -0.0239 -0.25 0.816 0.0133 0.14 -0.0743 -0.2604 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 K24 mock treatment 0.833 0.0151 0.16 0.815 0.0123 0.13 0.2038 0.9962 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 L01 compound treatment 1.219 0.401 4.15 1.133 0.33 3.53 5.4329 0.9967 3211500 TimTec1_003763 O=C(N/C(=C/c1ccccc1)/C(=O)N2CCc3ccccc3C2)c4ccccc4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 L02 compound treatment 1.142 0.324 3.36 1.092 0.289 3.09 4.5593 0.9991 1595878 TimTec1_003764 CC(C)c1ccc(cc1)S(=O)(=O)N2CCN(C(C)C2)S(=O)(=O)c3ccc(cc3)C(C)C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 L03 compound treatment 1.007 0.189 1.96 0.963 0.16 1.71 2.5961 0.9978 1381352 TimTec1_003765 NC(=O)CCNC1(CC2CC3CC(C2)C1)C3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 L04 compound treatment 1.433 0.615 6.37 1.449 0.646 6.9 9.3873 0.9992 3084870 TimTec1_003766 COc1ccc(C(OC(=O)C)C#N)c(OCc2ccccc2)c1OC 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 L05 compound treatment 1.151 0.333 3.45 1.074 0.271 2.9 4.4892 0.9962 3211501 TimTec1_003767 Cc1cc(=O)oc2c3C(=O)/C(=C/c4ccc(Cl)cc4)/Oc3ccc12 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 L06 compound treatment 0.949 0.131 1.36 0.93 0.127 1.36 1.922 1.0 1452130 TimTec1_003768 CC1(C)CC(CC(C)(C)N1O)NS(=O)(=O)C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 L07 compound treatment 1.182 0.364 3.77 1.158 0.355 3.8 5.3508 1.0 3211502 TimTec1_003769 CCn1c2nc(cn2c3ccccc13)c4ccccc4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 L08 compound treatment 1.053 0.235 2.44 1.009 0.206 2.2 3.2805 0.9988 3084873 TimTec1_003770 O=C(CCSc1ccccc1)NC2CC2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 L09 compound treatment 1.09 0.272 2.82 1.08 0.277 2.96 4.0878 0.9997 1521475 TimTec1_003771 CCc1c(nnn1c2nonc2N)C(=O)OC 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 L10 compound treatment 1.212 0.394 4.08 1.175 0.372 3.98 5.6989 0.9999 3211503 TimTec1_003772 Cc1cc(ccc1/C=C(/C#N)\c2ccc(F)cc2)N3CCCC3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 L11 compound treatment 1.186 0.368 3.81 1.204 0.401 4.29 5.7276 0.9983 1396173 TimTec1_003773 NC(=O)CSC1=C(C#N)C(C(=C(N)N1)C#N)c2ccccc2Cl 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 L12 compound treatment 1.044 0.226 2.34 1.031 0.228 2.44 3.3808 0.9998 3211504 TimTec1_003774 COC(=O)C/1=C(C)NC(=O)\C1=C/c2ccc3OCOc3c2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 L13 compound treatment 0.941 0.123 1.28 0.932 0.129 1.38 1.8786 0.9992 3211505 TimTec1_003775 Cc1oc(cc1C(=O)Nc2cccc(/C=C\C(=O)O)c2)c3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 L14 compound treatment 0.924 0.106 1.1 0.917 0.114 1.22 1.6408 0.9986 3084877 TimTec1_003776 Clc1ccc(C(=O)NC2CC2)c(Cl)c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 L15 compound treatment 0.976 0.158 1.64 0.973 0.17 1.82 2.4446 0.9986 1596451 TimTec1_003777 Cc1oc(cc1C(=O)NCc2ccc(o2)C(=O)O)C(C)(C)C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 L16 compound treatment 0.88 0.0621 0.64 0.856 0.0533 0.57 0.8577 0.9982 1551836 TimTec1_003778 CC1=C(C(C(=C(C)N1)C(=O)N)c2ccco2)C(=O)N 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 L17 compound treatment 1.068 0.25 2.59 1.009 0.206 2.2 3.3903 0.9968 1181188 TimTec1_003779 CSc1ccccc1C(=O)Nc2cccc(c2)C(C)O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 L18 compound treatment 0.858 0.0401 0.42 0.815 0.0123 0.13 0.3869 0.8875 1050401 TimTec1_003780 OC(COc1ccccc1)CN2CCCCC2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 L19 compound treatment 1.334 0.516 5.35 1.279 0.476 5.09 7.378 0.9997 1378484 TimTec1_003781 Cc1ccc(OCC(=O)Nc2ccc(cc2)N3CCOCC3)c(c1)n4nc5ccccc5n4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 L20 compound treatment 0.914 0.0961 1.0 0.898 0.0953 1.02 1.424 0.9999 1477400 TimTec1_003782 CC1CN(CC(C)O1)C(=O)c2cc3ccccc3oc2=O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 L21 compound treatment 0.971 0.153 1.59 0.959 0.156 1.67 2.3022 0.9997 1507564 TimTec1_003783 COC(=O)c1ccccc1NC(=O)CC2(C(=O)c3ccccc3C2=O)c4ccc(Cl)cc4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 L22 compound treatment 1.015 0.197 2.04 0.975 0.172 1.84 2.7453 0.9987 1451160 TimTec1_003784 Cn1c(=O)c(C(CC(=O)c2cc3ccccc3oc2=O)Nc4ccccc4)c(O)c5ccccc15 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 L23 mock treatment 0.874 0.0561 0.58 0.841 0.0383 0.41 0.7005 0.9853 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 L24 mock treatment 0.808 -0.00987 -0.1 0.811 0.00831 0.09 -0.0095 -0.0703 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 M01 compound treatment 1.046 0.228 2.36 0.98 0.177 1.89 3.0101 0.994 1644138 TimTec1_003785 COC(=O)C1OC2(CCCC2)OC1C(=O)OC 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 M02 compound treatment 1.076 0.258 2.67 1.042 0.239 2.56 3.6982 0.9998 1168609 TimTec1_003786 O=C(CC(C1C(=O)NC(=O)NC1=O)c2ccccc2)C3CC3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 M03 compound treatment 0.765 -0.0529 -0.55 0.87 0.0673 0.72 0.1213 0.1342 3084947 TimTec1_003787 CCOC1=NC(N=C2Sc3ccccc3N21)(C(F)(F)F)C(F)(F)F 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 M04 compound treatment 0.312 -0.506 -5.24 0.284 -0.519 -5.54 -7.6231 -0.9996 3211506 TimTec1_003788 Nc1nc2ccc(Cl)cc2c(c1CN3CCOCC3)c4ccccc4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 M05 compound treatment 1.159 0.341 3.53 1.148 0.345 3.69 5.1068 0.9998 1277239 TimTec1_003789 COc1cc(OC)cc(c1)C(=O)c2ccc(cc2)C(=O)NC3(CC3)c4ccccc4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 M06 compound treatment 1.022 0.204 2.11 1.026 0.223 2.39 3.1819 0.9982 3084948 TimTec1_003790 OC(=O)Cn1cc(C=C2C(=O)NC(=O)NC2=O)c3ccccc13 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 M07 compound treatment 0.283 -0.535 -5.54 0.293 -0.51 -5.45 -7.7675 -1.0 1682965 TimTec1_003791 OC1=C(C(N(C1=O)c2ccccn2)c3ccccc3)C(=O)c4cccs4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 M08 compound treatment 0.306 -0.512 -5.3 0.313 -0.49 -5.23 -7.4479 -1.0 3084949 TimTec1_003792 Cc1sc(N)c(C#N)c1c2ccc(Cl)cc2Cl 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 M09 compound treatment 0.783 -0.0349 -0.36 0.775 -0.0277 -0.3 -0.4646 -0.9951 3211507 TimTec1_003793 CCN(Cc1ccccc1)S(=O)(=O)c2nc3nc(C)c(C)c(C)n3n2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 M10 compound treatment 0.932 0.114 1.18 0.867 0.0643 0.69 1.3216 0.9667 3084950 TimTec1_003794 Cc1cc(C)nc(N/C(=N/Cc2ccccc2Cl)/N)n1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 M11 compound treatment 0.202 -0.616 -6.38 0.198 -0.605 -6.46 -9.0783 -1.0 1289426 TimTec1_003795 CCCOc1c(cnc2ccccc12)c3ccc4ccccc4n3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 M12 compound treatment 0.096 -0.722 -7.48 0.1 -0.703 -7.51 -10.5949 -1.0 3084951 TimTec1_003796 OC1(CC(=NN1)/C=C/c2cccs2)C(F)(F)F 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 M13 compound treatment 0.722 -0.0959 -0.99 0.814 0.0113 0.12 -0.6167 -0.6165 1348823 TimTec1_003797 CCNC1(CCC1)c2cccc(Cl)c2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 M14 compound treatment 1.094 0.276 2.86 1.031 0.228 2.44 3.7469 0.9969 3211508 TimTec1_003798 CC1=NN(C(=O)CSc2nnc(o2)c3ccncc3)C(C)(O)C1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 M15 compound treatment 0.928 0.11 1.14 0.935 0.132 1.41 1.806 0.9943 1588714 TimTec1_003799 CCOc1ccc(CC2C(=O)NC(=O)N(Cc3ccccc3)C2=O)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 M16 compound treatment 1.129 0.311 3.22 1.064 0.261 2.79 4.2525 0.9974 1383650 TimTec1_003800 O=C(Nc1ccc2NS(=O)(=O)c3cccc1c23)c4ccccc4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 M17 compound treatment 0.966 0.148 1.53 0.958 0.155 1.66 2.2581 0.9992 3211509 TimTec1_003801 CCN(CC)C(=S)SC1CC(=O)N(C1=O)c2ccc(cc2)S(=O)(=O)NC(=O)C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 M18 compound treatment 1.019 0.201 2.08 1.024 0.221 2.36 3.1448 0.998 1533734 TimTec1_003802 CC1=C(C(=O)Nc2ccccc2)C3(CCCCC3)C(=C(N1)SCC(=O)Nc4nccs4)C#N 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 M19 compound treatment 1.42 0.602 6.24 1.432 0.629 6.72 9.1636 0.9993 3211595 TimTec1_003803 COc1ccc(cc1)C2=CC(SC(=N)N2)c3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 M20 compound treatment 0.84 0.0221 0.23 0.833 0.0303 0.32 0.391 0.9857 1699056 TimTec1_003804 CN(C1CC(C)(C)N(C)C(C)(C)C1)C(=O)c2cc[nH]n2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 M21 compound treatment 0.914 0.0961 1.0 0.953 0.15 1.61 1.8395 0.9736 1491671 TimTec1_003805 Nc1nc(N)c2sc(NCC=C)c(C#N)c2n1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 M22 compound treatment 1.094 0.276 2.86 1.047 0.244 2.61 3.8678 0.999 3211596 TimTec1_003806 Fc1ccc(/C=c\2/[nH]\c(=C\C(=O)c3ccccc3)\c(=O)[nH]c2=O)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 M23 mock treatment 0.884 0.0661 0.68 0.906 0.103 1.1 1.2647 0.9737 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 M24 mock treatment 0.866 0.0481 0.5 0.857 0.0543 0.58 0.7627 0.9971 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 N01 compound treatment 0.21 -0.608 -6.3 0.224 -0.579 -6.18 -8.8233 -1.0 3084958 TimTec1_003807 COc1nc(NC2CC2)nc(Nc3ccc(OC(F)(F)F)cc3)n1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 N02 compound treatment 1.078 0.26 2.69 1.03 0.227 2.43 3.6222 0.9987 1476683 TimTec1_003808 OC(=O)c1cc(ccc1O)S(=O)(=O)Nc2ccc(O)cc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 N03 compound treatment 1.242 0.424 4.39 1.246 0.443 4.74 6.455 0.9993 3084960 TimTec1_003809 CCOC(=O)/C(=c\1/s\c(=C\2/C=Cc3ccccc3N2CC)\c(=O)n1CC)/C#N 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 N04 compound treatment 1.125 0.307 3.18 1.156 0.353 3.77 4.9182 0.9964 1006588 TimTec1_003810 N#CC(c1ccccc1)c2ccccc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 N05 compound treatment 1.264 0.446 4.62 1.294 0.491 5.25 6.9787 0.998 1698122 TimTec1_003811 CCSC1=C(C#N)C(C(=C(C)N1)C(=O)OC(C)(C)C)c2ccc(Cl)cc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 N06 compound treatment 1.11 0.292 3.03 1.052 0.249 2.66 4.0227 0.998 3084962 TimTec1_003812 CCc1ccc(cc1)C2C(=CNC=C2C(=O)OC)C(=O)OC 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 N07 compound treatment 0.972 0.154 1.6 1.008 0.205 2.19 2.6797 0.9878 1644445 TimTec1_003813 CCOC(=O)C1=C(C)N(CCO)C(=O)NC1c2ccc(O)cc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 N08 compound treatment 0.965 0.147 1.52 1.014 0.211 2.26 2.6738 0.9817 3084964 TimTec1_003814 Cc1cc(/C=N/n2cnnc2)c(C)n1c3ccc(cc3)C(=O)O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 N09 compound treatment 0.969 0.151 1.57 0.942 0.139 1.49 2.1592 0.9997 3211597 TimTec1_003815 Cc1nnc(SCC(=O)O)s1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 N10 compound treatment 1.141 0.323 3.35 1.108 0.305 3.26 4.6728 0.9999 3211598 TimTec1_003816 Fc1ccc(/N=C\2/NC(=O)/C(=C\c3ccc(o3)N4CCCC4)/S2)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 N11 compound treatment 1.381 0.563 5.83 1.367 0.564 6.03 8.387 0.9999 1466268 TimTec1_003817 NC1=C(C#N)C(C(=C(N1)SCc2ccccc2)C#N)c3ccccc3Cl 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 N12 compound treatment 1.082 0.264 2.74 1.026 0.223 2.39 3.6213 0.9977 3085029 TimTec1_003818 CCOC(=O)N1CCN(CC1)C(=O)CN(C2CCCCC2)S(=O)(=O)c3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 N13 compound treatment 0.977 0.159 1.65 0.955 0.152 1.63 2.316 1.0 3211599 TimTec1_003819 Nc1nc(SCC(=O)c2ccc3ccccc3c2)c(C#N)c(c1C#N)c4cccc(F)c4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 N14 compound treatment 0.32 -0.498 -5.16 0.315 -0.488 -5.21 -7.3303 -1.0 3085032 TimTec1_003820 Brc1ccc(cc1)C(=O)NCCSc2ccccc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 N15 compound treatment 1.089 0.271 2.81 1.058 0.255 2.73 3.9143 0.9999 1677707 TimTec1_003821 O=C(CC(C(=O)c1ccccc1)c2ccccc2)N3CCOCC3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 N16 compound treatment 1.231 0.413 4.28 1.167 0.364 3.89 5.7776 0.9989 3085034 TimTec1_003822 COc1ccccc1OCCSc2nc3ccccc3o2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 N17 compound treatment 0.953 0.135 1.4 0.96 0.157 1.68 2.178 0.9959 1302141 TimTec1_003823 Clc1ccc(NC(=O)c2cc(Br)ccc2OCC(=O)NC3CC3)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 N18 compound treatment 0.854 0.0361 0.37 0.858 0.0553 0.59 0.6824 0.9757 1645048 TimTec1_003824 CC(C)N1CC2(CN(CC(C1)(C2O)c3ccccc3)C(C)C)c4ccccc4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 N19 compound treatment 1.072 0.254 2.63 1.054 0.251 2.68 3.7596 1.0 3085037 TimTec1_003825 COc1ccc(cc1)C(=O)/C=C\2/NCC3N(CCc4ccccc34)C2=O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 N20 compound treatment 1.047 0.229 2.37 1.003 0.2 2.14 3.1912 0.9987 1574760 TimTec1_003826 COc1ccc(cc1)C2CC(=Nc3ccccc3N2)c4cc5ccccc5oc4=O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 N21 compound treatment 0.907 0.0891 0.92 0.912 0.109 1.17 1.4785 0.9932 3085038 TimTec1_003827 CC(=C)C(=O)Nc1ccc(O)cc1C(=O)O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 N22 compound treatment 1.353 0.535 5.54 1.384 0.581 6.21 8.3104 0.9984 1563548 TimTec1_003828 CC1=Nc2ccccc2Sc3c1c(=O)n(c4ccccc4)c5ccccc35 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 N23 mock treatment 0.889 0.0711 0.74 0.901 0.0983 1.05 1.2636 0.9849 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 N24 mock treatment 0.898 0.0801 0.83 0.862 0.0593 0.63 1.0349 0.9911 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 O01 compound treatment 1.211 0.393 4.07 1.083 0.28 2.99 4.9966 0.9886 3085040 TimTec1_003829 CN/1CCS\C1=C/C=C/2\SC(=S)N(C)C2=O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 O02 compound treatment 1.385 0.567 5.87 1.399 0.596 6.37 8.658 0.9992 1348649 TimTec1_003830 Oc1c(c2ccon2)c(=O)n(c3ccccc3)c4ccccc14 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 O03 compound treatment 1.085 0.267 2.77 1.12 0.317 3.39 4.3533 0.9949 3085042 TimTec1_003831 CCc1nnc(NC(=O)c2nc[nH]n2)s1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 O04 compound treatment 1.201 0.383 3.97 1.13 0.327 3.5 5.2784 0.998 1580872 TimTec1_003832 CCOC(=O)C1=NN(C(CC1=O)c2ccccc2)c3ccc(OC)cc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 O05 compound treatment 1.196 0.378 3.92 1.188 0.385 4.12 5.6799 0.9997 3085044 TimTec1_003833 O=C(c1ccco1)c2cn(nc2C(=O)c3nc4ccccc4s3)c5ccccc5 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 O06 compound treatment 0.144 -0.674 -6.98 0.157 -0.646 -6.9 -9.8128 -1.0 3211600 TimTec1_003834 CCN1C(=O)C(=Cc2ccc(cc2OC)N3CCOCC3)C(=O)N(CC)C1=S 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 O07 compound treatment 0.101 -0.717 -7.42 0.138 -0.665 -7.1 -10.2713 -0.9998 1409512 TimTec1_003835 COCC1=NN(C(=O)C1)c2ccccc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 O08 compound treatment 0.267 -0.551 -5.71 0.323 -0.48 -5.12 -7.658 -0.9986 3211601 TimTec1_003836 CCCc1ccc(cc1)c2c(C)sc(N)c2C#N 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 O09 compound treatment 0.606 -0.212 -2.19 0.549 -0.254 -2.71 -3.4681 -0.9945 3085047 TimTec1_003837 CC(C)CSc1nc(C)c(C)c(C)c1C#N 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 O10 compound treatment 0.976 0.158 1.64 0.96 0.157 1.68 2.3464 0.9999 1586721 TimTec1_003838 CCC1(CC)Cc2ccccc2C(=N1)CC(=O)N3CCOCC3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 O11 compound treatment 0.963 0.145 1.5 0.953 0.15 1.61 2.1983 0.9995 1726435 TimTec1_003839 Cn1c(=O)n(C)c2c(O)c([nH]c2c1=O)c3ccc(Cl)cc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 O12 compound treatment 0.897 0.0791 0.82 0.944 0.141 1.51 1.647 0.9588 1470820 TimTec1_003840 CCC(=O)Nc1ccc2c(C)cc(C)nc2n1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 O13 compound treatment 1.166 0.348 3.61 1.05 0.247 2.64 4.4178 0.9883 1381475 TimTec1_003841 CCCCc1nc(OCC(=O)c2ccccc2)c(C#N)c3CC(C)(C)OCc13 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 O14 compound treatment 0.894 0.0761 0.79 0.911 0.108 1.16 1.3757 0.9825 1312823 TimTec1_003842 O=CNc1ncc(s1)c2nc3ccccc3[nH]2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 O15 compound treatment 0.335 -0.483 -5.0 0.453 -0.35 -3.74 -6.178 -0.9897 3211602 TimTec1_003843 FC(F)(F)c1n[nH]c(c1C2(CC3CC4CC(C3)C2)C4)c5ccccc5 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 O16 compound treatment 0.956 0.138 1.43 0.867 0.0643 0.69 1.4974 0.9435 3211603 TimTec1_003844 C/C(=N\N1C(=N)SC(CC1=O)C(=O)Nc2ccc(cc2)C(=O)O)/CCc3ccc4OCOc4c3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 O17 compound treatment 1.043 0.225 2.33 0.959 0.156 1.67 2.8295 0.9866 3085116 TimTec1_003845 O=C(NC1=NC(=O)CS1)N2c3ccccc3Sc4ccccc24 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 O18 compound treatment 0.935 0.117 1.21 0.92 0.117 1.25 1.744 0.9999 1326791 TimTec1_003846 COc1ccc(Cl)cc1NC(=O)CN(c2ccccc2)S(=O)(=O)N(C)C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 O19 compound treatment 1.313 0.495 5.13 1.235 0.432 4.62 6.8918 0.9986 1539349 TimTec1_003847 Cc1cccc2c(cc(=O)[nH]c12)c3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 O20 compound treatment 0.754 -0.0639 -0.66 0.749 -0.0537 -0.57 -0.8734 -0.9975 3211604 TimTec1_003848 CC(C)(CO)NC(=O)CSc1ccc(cc1Cl)C(F)(F)F 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 O21 compound treatment 1.087 0.269 2.79 0.995 0.192 2.05 3.4237 0.9887 1701681 TimTec1_003849 Brc1ccc(NCc2c[nH]c3ccccc23)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 O22 compound treatment 0.784 -0.0339 -0.35 0.786 -0.0167 -0.18 -0.3741 -0.9507 3085119 TimTec1_003850 CN1Cc2cc(CN3C(=O)c4ccccc4C3=O)ccc2NC1=O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 O23 mock treatment 0.901 0.0831 0.86 0.888 0.0853 0.91 1.2532 0.9996 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 O24 mock treatment 0.906 0.0881 0.91 0.892 0.0893 0.95 1.3201 0.9998 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 P01 compound treatment 0.877 0.0591 0.61 0.841 0.0383 0.41 0.7224 0.9808 1431065 TimTec1_003851 COc1ccc(cc1)n2cnc3cc(NCc4ccccc4O)ccc23 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 P02 compound treatment 1.452 0.634 6.57 1.45 0.647 6.92 9.534 0.9997 1424914 TimTec1_003852 N#CCOc1nc(nc(n1)N2CCCCC2)N3CCCCC3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 P03 compound treatment 1.302 0.484 5.01 1.293 0.49 5.24 7.2494 0.9998 1128232 TimTec1_003853 S=C(NCC1COc2ccccc2O1)NC3CCCCC3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 P04 compound treatment 1.095 0.277 2.87 1.019 0.216 2.31 3.6636 0.9942 3085122 TimTec1_003854 O=C(Nc1nnn[nH]1)C2CCCCC2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 P05 compound treatment 1.26 0.442 4.58 1.234 0.431 4.61 6.4961 1.0 3211605 TimTec1_003855 OC1(NC(=C(C#N)C(C1C(=O)c2cccs2)c3ccccc3Cl)SCC=C)C(F)(F)F 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 P06 compound treatment 1.102 0.284 2.94 1.087 0.284 3.04 4.2286 0.9999 1623934 TimTec1_003856 COC(=O)C1=C(C)NC2=C(C1c3cccs3)C(=O)CC(C2)c4cccs4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 P07 compound treatment 0.983 0.165 1.71 0.993 0.19 2.03 2.647 0.9963 1244903 TimTec1_003857 Cc1ccc(cc1)N(CC(=O)c2ccccc2)CC(=O)c3ccc(Cl)cc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 P08 compound treatment 1.472 0.654 6.77 1.5 0.697 7.45 10.0582 0.9989 3211823 TimTec1_003858 CC/N=C/1\S/C(=C/c2ccc(OCC(=O)O)c(Cl)c2)/C(=O)N1CC 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 P09 compound treatment 0.042 -0.776 -8.04 0.043 -0.76 -8.12 -11.421 -1.0 3085124 TimTec1_003859 O=C(CCn1c(=O)sc2ccccc12)n3c(=O)sc4ccccc34 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 P10 compound treatment 1.343 0.525 5.44 1.352 0.549 5.87 7.9954 0.9993 1013674 TimTec1_003860 Clc1ccc(cc1)C(=O)N2CCCCC2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 P11 compound treatment 0.975 0.157 1.63 0.944 0.141 1.51 2.2182 0.9993 1436854 TimTec1_003861 Cc1oc2CCCCc2c1C(=O)N 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 P12 compound treatment 1.253 0.435 4.51 1.194 0.391 4.18 6.1427 0.9993 3211705 TimTec1_003862 CN(CC(=O)N1CCN(CC1)c2ccccc2)S(=O)(=O)c3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 P13 compound treatment 1.124 0.306 3.17 1.029 0.226 2.42 3.9515 0.991 1144432 TimTec1_003863 CSc1ccc(cc1)S(=O)(=O)Nc2c(C)cc(OCC(=O)N3CCOCC3)cc2C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 P14 compound treatment 0.484 -0.334 -3.46 0.548 -0.255 -2.72 -4.3691 -0.993 3211706 TimTec1_003864 OC(=O)c1ccc2NC(C3C4CCC(C4)C3c2c1)c5ccccc5 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 P15 compound treatment 0.954 0.136 1.41 0.99 0.187 2.0 2.4119 0.9853 1154434 TimTec1_003865 CN(C)S(=O)(=O)Nc1cccc(N)c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 P16 compound treatment 1.332 0.514 5.32 1.283 0.48 5.13 7.3936 0.9998 3211707 TimTec1_003866 COc1ccc(OCCSc2nc3ccccc3o2)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 P17 compound treatment 1.233 0.415 4.3 1.302 0.499 5.33 6.8121 0.9943 1371642 TimTec1_003867 CC(Oc1ccccc1Br)C(=O)N2CCc3ccccc23 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 P18 compound treatment 1.336 0.518 5.37 1.346 0.543 5.8 7.8988 0.9992 3085128 TimTec1_003868 C=CCN(C(=O)C1CCC=CC1)c2ccccc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 P19 compound treatment 1.275 0.457 4.73 1.238 0.435 4.65 6.6362 1.0 1394194 TimTec1_003869 COC(=O)c1c(NC(=O)C2CCCC2)sc3CCCCc13 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 P20 compound treatment 0.641 -0.177 -1.83 0.623 -0.18 -1.92 -2.6527 -0.9997 3085130 TimTec1_003870 CCC(C)(C)c1ccc(OC2CSC2)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 P21 compound treatment 0.041 -0.777 -8.05 0.043 -0.76 -8.12 -11.4283 -1.0 3211708 TimTec1_003871 CCc1ccc2OCC(C(F)(F)F)S(=O)(=O)c2c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 P22 compound treatment 0.044 -0.774 -8.02 0.052 -0.751 -8.02 -11.3384 -1.0 3085131 TimTec1_003872 Oc1ccc(cc1)C(Nc2cccnc2)Sc3ccc(Cl)cc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 P23 mock treatment 0.926 0.108 1.12 0.907 0.104 1.11 1.5799 1.0 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2073 P24 mock treatment 0.877 0.0591 0.61 0.909 0.106 1.14 1.2361 0.958 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 A01 compound treatment 0.422 -0.571 -5.91 0.382 -0.555 -5.93 -8.3734 -1.0 1509421 TimTec1_003873 OC(C1CN2CCC1CC2)(c3cccs3)c4cccs4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 A02 compound treatment 0.94 -0.0528 -0.55 0.853 -0.0841 -0.9 -1.0218 -0.9715 3085133 TimTec1_003874 Brc1ccc(NCCC(=O)c2ccc3OCOc3c2)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 A03 compound treatment 1.15 0.157 1.63 1.122 0.185 1.98 2.5482 0.9954 1626877 TimTec1_003875 CCOC(=O)c1cc(sc1NC(=O)CCN2CCN(CC)CC2)c3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 A04 compound treatment 1.082 0.0893 0.92 1.045 0.108 1.15 1.4685 0.994 3211709 TimTec1_003876 COC(C(=O)NCc1ccc(Cl)cc1Cl)c2ccccc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 A05 compound treatment 1.336 0.343 3.56 1.378 0.441 4.71 5.8443 0.9904 3085202 TimTec1_003877 Cc1ccc(Nc2c(O)[nH]c(=O)n2N)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 A06 compound treatment 1.034 0.0413 0.43 1.006 0.0689 0.74 0.8224 0.9666 1917644 TimTec1_003878 CC1=C(C(=O)OCc2ccccc2)C3(O)C(=O)c4ccccc4C3(O)N1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 A07 compound treatment 0.958 -0.0348 -0.36 0.952 0.0149 0.16 -0.1421 -0.3612 3211710 TimTec1_003879 C(N1CCN(CC1)c2ncnc3sc4CCCCCc4c23)c5ccccc5 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 A08 compound treatment 1.094 0.101 1.05 1.113 0.176 1.88 2.0701 0.9621 1084987 TimTec1_003880 OC(=O)c1ccc2nc(O)c(O)nc2c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 A09 compound treatment 1.046 0.0532 0.55 1.001 0.0639 0.68 0.8725 0.9944 3211711 TimTec1_003881 CC(C)c1ccc(NC(=O)NCC2CCCO2)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 A10 compound treatment 1.031 0.0382 0.4 1.032 0.0949 1.01 0.9968 0.916 1015637 TimTec1_003882 Clc1ccc(cc1)c2cc3ccccc3oc2=O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 A11 compound treatment 1.01 0.0173 0.18 0.955 0.0179 0.19 0.2614 0.9994 3211712 TimTec1_003883 Cn1cc(/C(=N\O)/Cc2ccccc2)c3ccccc13 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 A12 compound treatment 0.993 2.5E-4 0.0 0.936 -0.00112 -0.01 -0.0067 -0.5423 3211713 TimTec1_003884 Cc1nn(Cc2cccc(c2)C(=O)Nc3cccc(C)c3C)c(C)c1Cl 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 A13 compound treatment 0.837 -0.156 -1.61 0.834 -0.103 -1.1 -1.9197 -0.9827 1851015 TimTec1_003885 CCc1ccc(OC(=O)COc2ccc(Br)c(C)c2)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 A14 compound treatment 1.045 0.0522 0.54 1.012 0.0749 0.8 0.9483 0.9819 3211714 TimTec1_003886 CC1(C)Cc2ccccc2C(=N1)NC(Cc3c[nH]c4ccccc34)C(=O)O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 A15 compound treatment 1.065 0.0722 0.75 1.016 0.0789 0.84 1.125 0.9982 1208534 TimTec1_003887 COC(=O)c1ccc(NC(=O)COc2ccc3ccccc3c2Br)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 A16 compound treatment 1.178 0.185 1.92 1.152 0.215 2.3 2.9799 0.996 1464409 TimTec1_003888 COc1ccc(OC)c2c(C)cc(=O)[nH]c12 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 A17 compound treatment 1.172 0.179 1.86 1.187 0.25 2.67 3.2004 0.9842 1255944 TimTec1_003889 COC(=O)c1ccccc1NC(=O)c2cccnc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 A18 compound treatment 0.587 -0.406 -4.2 0.544 -0.393 -4.2 -5.9413 -1.0 3211715 TimTec1_003890 Cc1nnc(Sc2cc(C)nc3ccccc23)s1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 A19 compound treatment 0.896 -0.0968 -1.0 0.822 -0.115 -1.23 -1.5782 -0.9948 3211716 TimTec1_003891 CCOc1ccc(CC(=O)NC2CC(C)(C)N(C)C(C)(C)C2)cc1OCC 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 A20 compound treatment 0.986 -0.00675 -0.07 0.957 0.0199 0.21 0.1007 0.4505 225200 TimTec1_003892 Nc1ccn(C2CC(O)C(CO)O2)c(=O)n1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 A21 compound treatment 0.97 -0.0227 -0.24 0.943 0.00587 0.06 -0.1222 -0.5013 3211717 TimTec1_003893 CC(NC(=O)Cc1c[nH]c2ccccc12)C(=O)O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 A22 compound treatment 1.158 0.165 1.71 1.171 0.234 2.5 2.977 0.983 3085213 TimTec1_003894 Brc1cc(N/C=C\2/C(=O)NC(=S)N(C2=O)c3ccccc3)ccc1N4CCOCC4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 A23 mock treatment 0.982 -0.0107 -0.11 0.882 -0.0551 -0.59 -0.4952 -0.8262 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 A24 mock treatment 0.981 -0.0118 -0.12 0.925 -0.0121 -0.13 -0.1776 -0.9995 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 B01 compound treatment 1.028 0.0352 0.37 1.004 0.0669 0.71 0.7633 0.9514 3211718 TimTec1_003895 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cc(Br)c(=O)[nH]c2=O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 B02 compound treatment 0.936 -0.0568 -0.59 0.891 -0.0461 -0.49 -0.764 -0.9962 3211719 TimTec1_003896 COC(=O)C1=NNC(C1c2ccccc2)C(=O)OC(C)(C)C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 B03 compound treatment 0.232 -0.761 -7.88 0.244 -0.693 -7.4 -10.8074 -0.9995 3085215 TimTec1_003897 CN1[C@H](CC(O)c2ccccc2)CCCC1CC(=O)c3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 B04 compound treatment 0.618 -0.375 -3.88 0.57 -0.367 -3.92 -5.5178 -1.0 3211720 TimTec1_003898 CCOC(=O)CNc1nnc(c2ccccc2)c(c1C#N)c3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 B05 compound treatment 0.559 -0.434 -4.49 0.54 -0.397 -4.24 -6.1766 -0.9996 3085217 TimTec1_003899 COc1c(N)cc(Oc2cccc(c2)C(F)(F)F)c3nc(C)cc(C)c13 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 B06 compound treatment 0.983 -0.00975 -0.1 0.925 -0.0121 -0.13 -0.163 -0.9924 1047737 TimTec1_003900 COC(=O)C1CN(C)CCC1=O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 B07 compound treatment 1.113 0.12 1.25 1.061 0.124 1.32 1.8164 0.9995 3211721 TimTec1_003901 CC(C)(C)c1oc(cc1COCC(F)(F)F)C(=O)Nc2ccc3c(c2)oc4ccccc43 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 B08 compound treatment 1.141 0.148 1.54 1.155 0.218 2.33 2.7316 0.9796 3211722 TimTec1_003902 CC(C)NC(=O)c1ccccc1NC(=O)CN2C(=O)c3cccc4cccc2c34 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 B09 compound treatment 1.103 0.11 1.14 1.068 0.131 1.4 1.7961 0.9949 1305957 TimTec1_003903 Clc1cccc(Cl)c1CN(Cc2ccccc2)c3ncnc4[nH]cnc34 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 B10 compound treatment 1.028 0.0352 0.37 1.022 0.0849 0.91 0.8993 0.92 1515666 TimTec1_003904 NNC(=O)C1C2CCCCC12 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 B11 compound treatment 0.843 -0.15 -1.55 0.88 -0.0571 -0.61 -1.5282 -0.9169 3211723 TimTec1_003905 OC(=O)C(=C1SCCS1)C(=O)/C=C/c2ccc3OCOc3c2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 B12 compound treatment 0.042 -0.951 -9.85 0.043 -0.894 -9.55 -13.7173 -0.9999 3085287 TimTec1_003906 Cc1ccc(cc1)N2C(=O)C(=CC2(O)c3ccccc3)O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 B13 compound treatment 1.018 0.0253 0.26 0.98 0.0429 0.46 0.5088 0.9647 1580685 TimTec1_003907 CCc1ccccc1NC(=O)C(C(C)C)N2C(=O)c3ccccc3C2=O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 B14 compound treatment 0.97 -0.0227 -0.24 0.968 0.0309 0.33 0.0666 0.1644 3211724 TimTec1_003908 COc1ccccc1N/C(=N\O)/c2nonc2N 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 B15 compound treatment 0.066 -0.927 -9.6 0.068 -0.869 -9.29 -13.3526 -0.9999 3085290 TimTec1_003909 Clc1ccc(cc1)c2ccc(/C=N/C3CCS(=O)(=O)C3)o2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 B16 compound treatment 0.756 -0.237 -2.45 0.743 -0.194 -2.07 -3.2003 -0.9965 3211725 TimTec1_003910 OC(=O)c1cccc(/N=C/c2ccc(cc2)N3CCOCC3)c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 B17 compound treatment 1.171 0.178 1.85 1.186 0.249 2.66 3.1855 0.9841 3211726 TimTec1_003911 CCn1c(=O)c(/C=C\2/C(=O)NN=C2c3ccccc3)c(O)c4ccccc14 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 B18 compound treatment 0.969 -0.0238 -0.25 0.94 0.00287 0.03 -0.1522 -0.614 3085292 TimTec1_003912 C(=N/c1n[nH]c(\N=C\c2ccccc2)n1)\c3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 B19 compound treatment 1.155 0.162 1.68 1.166 0.229 2.45 2.9172 0.9833 3211727 TimTec1_003913 FC(F)(F)c1nnc(S)n1/N=C/c2c[nH]c3ccccc23 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 B20 compound treatment 0.881 -0.112 -1.16 0.906 -0.0311 -0.33 -1.0535 -0.8749 3085294 TimTec1_003914 FC(F)(F)c1ccccc1NC(=O)CSc2ccccn2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 B21 compound treatment 1.368 0.375 3.89 1.343 0.406 4.34 5.8142 0.9985 1454180 TimTec1_003915 Cc1nn(c(Cl)c1C2N(Cc3ccccc3)CCN2Cc4ccccc4)c5ccccc5 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 B22 compound treatment 1.087 0.0942 0.98 1.034 0.0969 1.03 1.4221 0.9996 1565629 TimTec1_003916 CCOC(=O)c1c(CN(C)C)n(C)c2cc(Br)c(OC)cc12 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 B23 mock treatment 0.983 -0.00975 -0.1 0.912 -0.0251 -0.27 -0.2612 -0.9108 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 B24 mock treatment 0.99 -0.00275 -0.03 0.965 0.0279 0.3 0.1904 0.6366 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 C01 compound treatment 1.142 0.149 1.55 1.11 0.173 1.85 2.399 0.9961 1262920 TimTec1_003917 CC(C)NC(=O)c1ccccc1CCc2ccccc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 C02 compound treatment 0.157 -0.836 -8.66 0.154 -0.783 -8.37 -12.0365 -0.9999 3085297 TimTec1_003918 O=C(CCN1CCN(CC1)c2ccccc2)c3ccc4ccccc4c3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 C03 compound treatment 0.985 -0.00775 -0.08 0.933 -0.00412 -0.04 -0.0879 -0.9601 1344204 TimTec1_003919 COc1ccc(cc1)c2csc(NC(=O)Cc3cccc4ccccc34)c2C(=O)O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 C04 compound treatment 1.089 0.0962 1.0 1.049 0.112 1.2 1.55 0.9959 3211824 TimTec1_003920 CC(NC(=O)c1ccc(CSc2ccccc2)cc1)c3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 C05 compound treatment 1.137 0.144 1.49 1.121 0.184 1.96 2.4455 0.9909 3085300 TimTec1_003921 NC1=NNC2=C(NNN12)c3ccccc3C(F)(F)F 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 C06 compound treatment 1.409 0.416 4.31 1.387 0.45 4.81 6.4469 0.9985 1738981 TimTec1_003922 O=c1n(nc(c2ccccc2)c3ccccc13)c4ccccc4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 C07 compound treatment 0.872 -0.121 -1.25 0.851 -0.0861 -0.92 -1.5349 -0.9886 3085302 TimTec1_003923 COc1cc(/C=C/C)ccc1Oc2nnc(C)c3ccccc23 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 C08 compound treatment 1.269 0.276 2.86 1.295 0.358 3.82 4.7266 0.9898 1410588 TimTec1_003924 Brc1cccc(NC(=O)c2ccc(OC3CSC3)cc2)c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 C09 compound treatment 0.918 -0.0747 -0.77 0.956 0.0189 0.2 -0.4048 -0.506 1451839 TimTec1_003925 CC(C)c1ccc(CNC(=O)c2ccc(=O)[nH]c2)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 C10 compound treatment 1.253 0.26 2.7 1.272 0.335 3.58 4.4357 0.9903 3211825 TimTec1_003926 COc1ccc(c(OC)c1)c2oc3ccc(OC)cc3c(=O)c2O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 C11 compound treatment 1.003 0.0102 0.11 0.959 0.0219 0.23 0.2403 0.9362 1232921 TimTec1_003927 Cc1ccc(OC(=O)COc2ccc3ccccc3c2)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 C12 compound treatment 1.186 0.193 2.0 1.173 0.236 2.52 3.1971 0.9935 1881298 TimTec1_003928 CC(C)(C)c1ccccc1NC(=O)c2cccc(Cn3cc(Cl)cn3)c2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 C13 compound treatment 0.624 -0.369 -3.82 0.544 -0.393 -4.2 -5.6703 -0.9989 3085306 TimTec1_003929 CCc1ccc(OC(=O)c2ccc(C)cc2)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 C14 compound treatment 1.142 0.149 1.55 1.136 0.199 2.12 2.5954 0.9878 3211826 TimTec1_003930 NS(=O)(=O)c1ccc(Nc2nc(cs2)c3cccs3)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 C15 compound treatment 1.2 0.207 2.15 1.235 0.298 3.18 3.768 0.9816 1544060 TimTec1_003931 Brc1c(OCC(=O)NCCC2=CCCCC2)ccc3ccccc13 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 C16 compound treatment 1.372 0.379 3.93 1.389 0.452 4.83 6.191 0.9948 1058123 TimTec1_003932 COc1ccc(OC)c2c(C)cc(Cl)nc12 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 C17 compound treatment 1.254 0.261 2.71 1.25 0.313 3.34 4.2768 0.9945 1506791 TimTec1_003933 CCC(CC)NC(=O)c1ccc(OC)cc1OC 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 C18 compound treatment 1.021 0.0282 0.29 0.949 0.0119 0.13 0.2966 0.93 1441088 TimTec1_003934 OC(=O)C(NC(=O)CSc1nnnn1c2ccccc2)(c3ccccc3)c4ccccc4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 C19 compound treatment 0.947 -0.0458 -0.47 0.923 -0.0141 -0.15 -0.4418 -0.8883 3085378 TimTec1_003935 CN(C)c1nc(N)nc(Cn2ccnc2)n1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 C20 compound treatment 1.135 0.142 1.47 1.072 0.135 1.44 2.0606 0.9999 3211827 TimTec1_003936 NNc1ccn(C2OC(CO)C(O)C2O)c(=O)n1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 C21 compound treatment 1.057 0.0642 0.67 0.987 0.0499 0.53 0.8473 0.9939 1668209 TimTec1_003937 Nc1nnnn1CC(=O)N(Cc2ccco2)C3(CCCCC3)C(=O)Nc4ccccc4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 C22 compound treatment 1.271 0.278 2.88 1.389 0.452 4.83 5.4513 0.9696 3211828 TimTec1_003938 COCCN1C(=C(C(=O)OC)/C(=C/c2c(Cl)cccc2Cl)/C1=O)C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 C23 mock treatment 0.962 -0.0308 -0.32 0.925 -0.0121 -0.13 -0.3168 -0.9214 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 C24 mock treatment 0.938 -0.0548 -0.57 0.956 0.0189 0.2 -0.2584 -0.4293 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 D01 compound treatment 1.095 0.102 1.06 1.005 0.0679 0.73 1.2616 0.9829 3085382 TimTec1_003939 CC(=O)OC[C@H]1O[C@H](C[C@@H]1OC(=O)C)n2cc(C)c(=O)[nH]c2=O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 D02 compound treatment 1.345 0.352 3.65 1.346 0.409 4.37 5.6684 0.996 3211829 TimTec1_003940 Fc1ccc(Nn2c(nc3ccccc3c2=O)c4ccccc4)c(F)c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 D03 compound treatment 1.066 0.0732 0.76 1.025 0.0879 0.94 1.2003 0.9944 3085384 TimTec1_003941 CCN(CC)/C=C/C(=O)c1ccccc1O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 D04 compound treatment 1.371 0.378 3.92 1.373 0.436 4.66 6.0628 0.9963 1632200 TimTec1_003942 CCOC(=O)c1sc(NC(=O)CC)c(C(=O)OCC)c1C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 D05 compound treatment 1.069 0.0762 0.79 0.995 0.0579 0.62 0.9956 0.9927 3085386 TimTec1_003943 COc1cc2CC3(Cc2cc1OC)N(C)Cc4ccccc43 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 D06 compound treatment 0.959 -0.0338 -0.35 0.912 -0.0251 -0.27 -0.437 -0.9915 3211830 TimTec1_003944 CNC(C)[C@@H](O)c1ccc(O)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 D07 compound treatment 1.009 0.0162 0.17 0.957 0.0199 0.21 0.2691 0.9934 1329060 TimTec1_003945 OCC1(CO)COC2(CCCCC2)N1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 D08 compound treatment 0.256 -0.737 -7.63 0.243 -0.694 -7.42 -10.6392 -0.9999 3211831 TimTec1_003946 CCOC(=O)c1sc(nc1C)n2nc(C)cc2O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 D09 compound treatment 0.749 -0.244 -2.52 0.759 -0.178 -1.9 -3.1307 -0.9903 3211832 TimTec1_003947 COc1ccc(cc1)N2CC(=O)N(/N=C/c3ccc(cc3)N(C)C)C2=S 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 D10 compound treatment 1.014 0.0213 0.22 1.013 0.0759 0.81 0.7288 0.8677 3085389 TimTec1_003948 O=C(CSc1cccc(n1)c2ccccc2)c3cccs3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 D11 compound treatment 0.184 -0.809 -8.38 0.167 -0.77 -8.23 -11.7406 -1.0 3211833 TimTec1_003949 O=C/1Nc2ccccc2\C1=N/N3C(=O)/C(=C/c4ccccc4)/N=C3c5ccccc5 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 D12 compound treatment 0.788 -0.205 -2.12 0.774 -0.163 -1.74 -2.7318 -0.9952 1282238 TimTec1_003950 CC(C)NC(=O)COc1ccc(Cl)cc1Cl 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 D13 compound treatment 0.896 -0.0968 -1.0 0.886 -0.0511 -0.55 -1.0948 -0.9593 1920102 TimTec1_003951 FC(F)(F)c1cccc(/N=C/2\C(=O)Nc3ccccc23)c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 D14 compound treatment 1.087 0.0942 0.98 1.127 0.19 2.03 2.1246 0.9438 3085391 TimTec1_003952 COC1=CC(=O)OC21CCCCC2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 D15 compound treatment 0.926 -0.0668 -0.69 0.901 -0.0361 -0.39 -0.7617 -0.9621 3085393 TimTec1_003953 CCN1C(=O)/C(=C/2\SC(=S)N(NC(=O)C)C2=O)/c3ccccc13 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 D16 compound treatment 1.021 0.0282 0.29 0.938 8.75E-4 0.01 0.2135 0.7293 1168752 TimTec1_003954 CCOC(=O)C1=C(C)OC(=C(C(=O)OCC)C21C(=O)Nc3ccccc32)N 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 D17 compound treatment 1.146 0.153 1.59 1.159 0.222 2.37 2.7984 0.981 1702369 TimTec1_003955 COc1ccc(cc1)c2csc(n2)N3N=C(C)C(C(C(C#N)C(=O)N)c4ccc(Cl)cc4)C3=O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 D18 compound treatment 1.069 0.0762 0.79 1.009 0.0719 0.77 1.1014 0.9999 3085395 TimTec1_003956 CCOC(=O)c1sc2c(OC)c(Br)ccc2c1NC(=O)C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 D19 compound treatment 1.093 0.1 1.04 1.033 0.0959 1.02 1.4584 1.0 3085397 TimTec1_003957 CC1(C)CC(=O)C(=CNc2ncnc3[nH]cnc23)C(=O)C1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 D20 compound treatment 0.89 -0.103 -1.06 0.779 -0.158 -1.69 -1.947 -0.9752 1514121 TimTec1_003958 O=C(CCc1ccccc1)Nc2cccnc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 D21 compound treatment 1.149 0.156 1.62 1.069 0.132 1.41 2.1405 0.9976 3211834 TimTec1_003959 OCCNc1ccn(c2nc(sc2c3ccccc3)c4ccccc4)c(=O)n1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 D22 compound treatment 0.972 -0.0208 -0.21 0.905 -0.0321 -0.34 -0.3946 -0.9746 1914384 TimTec1_003960 Cc1ccc(CCSCC(=O)O)cn1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 D23 mock treatment 1.043 0.0502 0.52 0.986 0.0489 0.52 0.7372 1.0 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 D24 mock treatment 1.03 0.0372 0.39 0.981 0.0439 0.47 0.6042 0.9953 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 E01 compound treatment 0.978 -0.0147 -0.15 0.888 -0.0491 -0.52 -0.4791 -0.8766 1410817 TimTec1_003961 CCOC(=O)c1c(C)n(Cc2ccccc2)c3ccc(OCC(O)CN4CCCCCC4)cc13 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 E02 compound treatment 1.09 0.0973 1.01 1.005 0.0679 0.73 1.225 0.987 3085400 TimTec1_003962 CC(C)c1ccc(cc1)C2C(=C(C)Nc3nc4ccccc4n23)C(=O)Nc5ccccc5 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 E03 compound treatment 0.392 -0.601 -6.22 0.322 -0.615 -6.57 -9.0464 -0.9996 1389044 TimTec1_003963 Cc1ccc(o1)C(=O)Nc2sc3CCCCc3c2C(=O)O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 E04 compound treatment 1.139 0.146 1.51 1.094 0.157 1.68 2.2561 0.9987 3084361 TimTec1_003964 Brc1cccc(c1)c2n[nH]c(=S)[nH]2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 E05 compound treatment 0.986 -0.00675 -0.07 0.989 0.0519 0.55 0.3424 0.613 3211835 TimTec1_003965 O=C(NCCOc1ccccc1)c2ccc(=O)[nH]c2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 E06 compound treatment 1.038 0.0452 0.47 1.053 0.116 1.24 1.2067 0.9117 3084365 TimTec1_003966 S=C(NCc1ccccc1)Nc2cccc3ccccc23 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 E07 compound treatment 1.004 0.0113 0.12 0.903 -0.0341 -0.36 -0.1754 -0.4583 1680390 TimTec1_003967 CN1CCN(CC1)c2ncnc3sc(C)c(c4ccccc4)c23 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 E08 compound treatment 1.103 0.11 1.14 1.012 0.0749 0.8 1.373 0.9848 1123501 TimTec1_003968 COC(C(=O)NCc1ccc(OC)cc1)c2ccccc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 E09 compound treatment 1.284 0.291 3.02 1.283 0.346 3.7 4.7458 0.9949 3211836 TimTec1_003969 Clc1ccc(NC(=O)N(Cc2ccccc2)Cc3ccccc3)cc1Cl 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 E10 compound treatment 1.004 0.0113 0.12 0.926 -0.0111 -0.12 -0.0017 -0.0099 1804050 TimTec1_003970 CC(SCc1ccccc1)C(=O)Nc2cccnc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 E11 compound treatment 0.966 -0.0268 -0.28 0.882 -0.0551 -0.59 -0.6123 -0.9408 1707898 TimTec1_003971 Cc1ccc(o1)C(O)c2nccn2C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 E12 compound treatment 0.057 -0.936 -9.69 0.053 -0.884 -9.45 -13.5319 -0.9999 3211977 TimTec1_003972 CCc1c(C)sc(NC(=O)CCCC(=O)O)c1C(=O)N 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 E13 compound treatment 1.028 0.0352 0.37 1.044 0.107 1.14 1.0655 0.8889 1707943 TimTec1_003973 CCOc1ccc(NC(=O)CCC(=O)n2nc(cc2c3ccccc3)c4ccccc4)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 E14 compound treatment 1.307 0.314 3.25 1.343 0.406 4.34 5.3675 0.99 3211915 TimTec1_003974 Cc1ccc(Nc2nc(Nc3ccc(C)cc3)nc(Sc4nnc[nH]4)n2)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 E15 compound treatment 1.174 0.181 1.88 1.166 0.229 2.45 3.0564 0.9915 1558319 TimTec1_003975 Brc1c(OCC(=O)NC2CCCCC2)ccc3ccccc13 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 E16 compound treatment 1.057 0.0642 0.67 1.025 0.0879 0.94 1.1344 0.9858 3084371 TimTec1_003976 O=S(=O)(Nc1cccc(c1)C2OCCCO2)c3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 E17 compound treatment 1.224 0.231 2.4 1.25 0.313 3.34 4.0571 0.9866 1490598 TimTec1_003977 Brc1ccccc1NC(=O)c2ccccc2Oc3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 E18 compound treatment 1.321 0.328 3.4 1.349 0.412 4.4 5.5153 0.9919 1419531 TimTec1_003978 CC1(C)CC(CCO1)n2c(NCCO)nc3-c4ccccc4CC5(CCCCC5)c3c2=O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 E19 compound treatment 1.048 0.0553 0.57 1.018 0.0809 0.86 1.0156 0.98 3084373 TimTec1_003979 O=C(NC(Cc1ccccc1)C(=O)N2CCCCC2)c3cccs3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 E20 compound treatment 1.011 0.0182 0.19 0.996 0.0589 0.63 0.5784 0.8807 3211916 TimTec1_003980 CC1CN(C2CC(O)C(CO)O2)C(=O)NC1=O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 E21 compound treatment 0.92 -0.0727 -0.75 0.903 -0.0341 -0.36 -0.7906 -0.9445 1203573 TimTec1_003981 O=C1CC2CS(=O)(=O)CC2N1c3ccc(Oc4ccccc4)cc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 E22 compound treatment 1.061 0.0682 0.71 1.034 0.0969 1.03 1.2316 0.9827 3211917 TimTec1_003982 Cc1ccc(cc1)S(=O)(=O)N(CC(=O)NCc2ccncc2)C3CCCCC3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 E23 mock treatment 1.002 0.00925 0.1 0.962 0.0249 0.27 0.2557 0.905 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 E24 mock treatment 1.044 0.0512 0.53 0.954 0.0169 0.18 0.5028 0.8969 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 F01 compound treatment 1.02 0.0273 0.28 1.05 0.113 1.21 1.0522 0.8496 1780915 TimTec1_003983 OCC1OC(Nc2ccc(cc2)C(=O)O)C(O)C1O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 F02 compound treatment 0.947 -0.0458 -0.47 0.888 -0.0491 -0.52 -0.7062 -0.9987 3211918 TimTec1_003984 CN1CCN(CC1)c2nsc(NO)c2Nc3ccc(Br)cc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 F03 compound treatment 0.228 -0.765 -7.92 1.069 0.132 1.41 -4.6045 -0.5723 1313296 TimTec1_003985 Oc1ccccc1C(=O)c2cnn(c2)c3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 F04 compound treatment 1.082 0.0893 0.92 1.031 0.0939 1.0 1.3628 0.9992 3211919 TimTec1_003986 COc1cc(/C=C\2/SC(=S)N(NC(=O)C)C2=O)ccc1O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 F05 compound treatment 0.618 -0.375 -3.88 0.504 -0.433 -4.63 -6.0164 -0.9962 3211920 TimTec1_003987 CN(C)c1ccc2N=c3cc(C)c(N)cc3=Sc2c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 F06 compound treatment 0.854 -0.139 -1.44 0.871 -0.0661 -0.71 -1.5157 -0.9465 3084378 TimTec1_003988 COc1cc(O)c(C(=O)Cc2ccc(Cl)cc2)c(OC)c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 F07 compound treatment 1.206 0.213 2.21 1.196 0.259 2.77 3.5173 0.9938 3211921 TimTec1_003989 CCOC(=O)NC(=S)N1CCN(CC1)c2ccccc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 F08 compound treatment 1.138 0.145 1.5 1.134 0.197 2.1 2.551 0.9865 3084380 TimTec1_003990 Cc1cc(c(C#N)c(SCC(=O)c2ccccc2)n1)C(F)(F)F 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 F09 compound treatment 1.187 0.194 2.01 1.153 0.216 2.31 3.0534 0.9977 3211922 TimTec1_003991 Fc1ccc(/C=N/N2C(=O)CN(C2=S)c3ccccc3)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 F10 compound treatment 0.988 -0.00475 -0.05 0.936 -0.00112 -0.01 -0.0433 -0.8547 3084382 TimTec1_003992 Cc1cc(C(=O)Nc2ccccc2)c(o1)c3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 F11 compound treatment 1.379 0.386 4.0 1.324 0.387 4.13 5.7513 0.9999 3084969 TimTec1_003993 CCN(CC)C1=N/C(=C/c2ccccc2)/C(=O)N1c3ccc(Cl)cc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 F12 compound treatment 1.065 0.0722 0.75 1.036 0.0989 1.06 1.276 0.9857 3211923 TimTec1_003994 Brc1ccc(cc1)C(=O)NCCOc2ccccc2Cc3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 F13 compound treatment 0.825 -0.168 -1.74 0.771 -0.166 -1.77 -2.4835 -0.9999 3084971 TimTec1_003995 Oc1cc(O)c2sc3nc(cc(c3c2n1)C(F)(F)F)c4cccs4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 F14 compound treatment 0.054 -0.939 -9.72 0.049 -0.888 -9.49 -13.5841 -0.9999 1360453 TimTec1_003996 Cc1ccc(CCC2C3=C(CCCC3=O)OC4=C2C(=O)CCC4)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 F15 compound treatment 1.36 0.367 3.8 1.387 0.45 4.81 6.088 0.9933 3084973 TimTec1_003997 CSc1oc(nc1S(=O)(=O)c2ccccc2)c3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 F16 compound treatment 0.976 -0.0168 -0.17 0.925 -0.0121 -0.13 -0.2143 -0.9896 1588811 TimTec1_003998 CNC(=O)CCC(=O)Nc1cc(Cl)ccc1Cl 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 F17 compound treatment 0.711 -0.282 -2.92 0.681 -0.256 -2.74 -3.9982 -0.9995 3211924 TimTec1_003999 CCOc1ccc(cc1)C(C)(C)C(=O)NN2C(=O)/C(=C/c3ccccn3)/N=C2c4ccccc4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 F18 compound treatment 1.03 0.0372 0.39 1.001 0.0639 0.68 0.7553 0.9635 3084976 TimTec1_004000 COc1ccc(/C=N/c2nc3ccc(Br)cc3s2)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 F19 compound treatment 0.966 -0.0268 -0.28 0.912 -0.0251 -0.27 -0.3857 -0.9999 1627471 TimTec1_004001 O=S(=O)(NCc1ccncc1)c2ccccc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 F20 compound treatment 0.998 0.00525 0.05 0.936 -0.00112 -0.01 0.03 0.5378 1030019 TimTec1_004002 CN(C)C(=O)c1ccccc1C(=O)N(C)C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 F21 compound treatment 0.968 -0.0248 -0.26 0.921 -0.0161 -0.17 -0.3031 -0.9813 3084978 TimTec1_004003 N#Cc1nc(oc1NCCCN2CCOCC2)c3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 F22 compound treatment 1.236 0.243 2.52 1.233 0.296 3.16 4.0166 0.9937 1252023 TimTec1_004004 Cc1cccc(NC(=O)C2C3CCC=CCCC23)c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 F23 mock treatment 1.067 0.0742 0.77 0.991 0.0539 0.58 0.9508 0.9898 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 F24 mock treatment 0.994 0.00125 0.01 0.963 0.0259 0.28 0.2046 0.7394 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 G01 compound treatment 1.033 0.0402 0.42 1.042 0.105 1.12 1.087 0.9093 1401883 TimTec1_004005 Cc1c(C)c2ccccc2n1CC(O)CNCc3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 G02 compound treatment 1.095 0.102 1.06 1.029 0.0919 0.98 1.4429 0.9993 3084981 TimTec1_004006 O=C1OCc2cc(ccc12)n3cnnn3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 G03 compound treatment 0.367 -0.626 -6.48 0.309 -0.628 -6.71 -9.3277 -0.9998 3211925 TimTec1_004007 Cc1sc2ncnc(N3CCN(CC3)c4cccc(c4)C(F)(F)F)c2c1C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 G04 compound treatment 1.329 0.336 3.48 1.332 0.395 4.22 5.4455 0.9955 1527185 TimTec1_004008 COc1ccccc1c2cc(=O)c3ccccc3o2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 G05 compound treatment 0.854 -0.139 -1.44 0.828 -0.109 -1.17 -1.8405 -0.9946 1639456 TimTec1_004009 Oc1ccccc1C(Nc2ccccn2)c3ccc4cccnc4c3O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 G06 compound treatment 0.841 -0.152 -1.57 0.877 -0.0601 -0.64 -1.5655 -0.9221 1650064 TimTec1_004010 Oc1ccccc1C(=O)NCCc2ccccc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 G07 compound treatment 1.146 0.153 1.59 1.066 0.129 1.38 2.0959 0.9975 1085927 TimTec1_004011 CC1CCCCN1C(=O)Nc2cccc(c2)C(F)(F)F 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 G08 compound treatment 0.882 -0.111 -1.15 0.842 -0.0951 -1.02 -1.5297 -0.9982 3085053 TimTec1_004012 O=C(N[C@@H]1C[C@H]2CC[C@@H]1C2)c3ccc(CSc4ccccc4)cc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 G09 compound treatment 0.187 -0.806 -8.35 0.165 -0.772 -8.25 -11.7337 -1.0 1516181 TimTec1_004013 C1CN(CC1c2ccccc2)c3nc(cs3)c4ccccc4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 G10 compound treatment 0.914 -0.0788 -0.82 0.922 -0.0151 -0.16 -0.691 -0.831 3211926 TimTec1_004014 OC(=O)c1ccccc1NC(=O)CCSc2ccccc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 G11 compound treatment 1.227 0.234 2.43 1.229 0.292 3.12 3.9204 0.9923 1741292 TimTec1_004015 CCCOC(=O)c1ccc(NC(=O)c2ccc(C)c(Br)c2)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 G12 compound treatment 0.978 -0.0147 -0.15 0.907 -0.0301 -0.32 -0.3356 -0.942 3211927 TimTec1_004016 C1CN(CCO1)c2ccc(/N=C/c3ccc(Sc4nc5ccccc5[nH]4)o3)cc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 G13 compound treatment 1.121 0.128 1.33 1.138 0.201 2.15 2.4567 0.9734 1267880 TimTec1_004017 COC(=O)c1c(NC(=O)c2ccccc2)sc3CCCc13 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 G14 compound treatment 0.988 -0.00475 -0.05 0.956 0.0189 0.2 0.1078 0.5194 3211928 TimTec1_004018 OC(=O)/C(=C\c1ccco1)/NC(=O)c2ccco2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 G15 compound treatment 0.858 -0.135 -1.4 0.884 -0.0531 -0.57 -1.3882 -0.9214 1175724 TimTec1_004019 Cc1ccc(NC(=O)c2ccco2)cc1F 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 G16 compound treatment 1.073 0.0802 0.83 1.053 0.116 1.24 1.4631 0.9812 3211929 TimTec1_004020 Cc1ccc(NCC(=O)SCc2csc(Nc3ccccc3)n2)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 G17 compound treatment 1.301 0.308 3.19 1.31 0.373 3.98 5.0743 0.994 3085059 TimTec1_004021 COc1ccccc1c2nnc(o2)c3cccs3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 G18 compound treatment 1.376 0.383 3.97 1.414 0.477 5.09 6.4092 0.9924 3211930 TimTec1_004022 CCOc1ccc(cc1c2nc(=O)c3n(C)nc(c3[nH]2)C(C)(C)C)S(=O)(=O)N4CCCCC4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 G19 compound treatment 0.794 -0.199 -2.06 0.632 -0.305 -3.26 -3.7605 -0.9754 3211931 TimTec1_004023 CC(C)CSCC1OC(C(O)C1O)n2cnc3c(N)ncnc23 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 G20 compound treatment 1.042 0.0493 0.51 0.978 0.0409 0.44 0.6695 0.997 907315 TimTec1_004024 CCc1cn(C2CC(O)C(CO)O2)c(=O)[nH]c1=O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 G21 compound treatment 1.191 0.198 2.05 1.194 0.257 2.74 3.3924 0.9898 1121708 TimTec1_004025 COc1cccc(NC(=O)COc2ccccc2OC)c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 G22 compound treatment 1.062 0.0693 0.72 1.066 0.129 1.38 1.4807 0.9538 1216245 TimTec1_004026 Fc1ccc(cc1)S(=O)(=O)N(CC(=O)NCC2CCCO2)C3CCCCC3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 G23 mock treatment 0.974 -0.0187 -0.19 0.953 0.0159 0.17 -0.0174 -0.0675 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 G24 mock treatment 1.026 0.0333 0.34 0.962 0.0249 0.27 0.4314 0.9918 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 H01 compound treatment 1.034 0.0413 0.43 0.959 0.0219 0.23 0.4673 0.9597 1279518 TimTec1_004027 Nc1cnn(C2OC(COC(=O)c3ccccc3)C(O)C2O)c(=O)n1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 H02 compound treatment 1.081 0.0882 0.91 1.014 0.0769 0.82 1.227 0.9986 3211932 TimTec1_004028 Cc1ccc(C)c(NS(=O)(=O)c2ccc(NC(=N)Nc3nncc(C)n3)cc2)n1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 H03 compound treatment 1.478 0.485 5.03 1.478 0.541 5.78 7.6396 0.9976 1187682 TimTec1_004029 COc1ccc(cc1)c2cc(CC(C)C)nc(N)c2C#N 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 H04 compound treatment 1.009 0.0162 0.17 0.909 -0.0281 -0.3 -0.0935 -0.2714 1408114 TimTec1_004030 CCc1ccccc1NC(=O)C(Cc2ccccc2)N3C(=O)c4ccccc4C3=O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 H05 compound treatment 0.971 -0.0217 -0.23 0.917 -0.0201 -0.22 -0.3113 -0.9997 3211978 TimTec1_004031 CN(C)c1ccc(CCNC(=O)c2ccco2)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 H06 compound treatment 1.051 0.0582 0.6 1.083 0.146 1.56 1.5286 0.9147 3085065 TimTec1_004032 COc1cccc(c1)c2cc(=O)c3ccc(O)cc3o2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 H07 compound treatment 0.996 0.00325 0.03 0.927 -0.0101 -0.11 -0.0527 -0.4651 3211979 TimTec1_004033 C1CN(CCO1)/C(=N\c2ccccc2)/Nc3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 H08 compound treatment 1.126 0.133 1.38 1.078 0.141 1.51 2.0401 0.9991 3211980 TimTec1_004034 FC(F)(F)c1cc(nc(SCC(=O)c2ccccc2)c1C#N)c3cccs3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 H09 compound treatment 1.031 0.0382 0.4 0.973 0.0359 0.38 0.5511 0.9999 3085068 TimTec1_004035 CC(=O)Nc1ccc(/N=C/c2c[nH]c3ccccc23)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 H10 compound treatment 0.13 -0.863 -8.94 0.144 -0.793 -8.47 -12.3098 -0.9996 3211981 TimTec1_004036 Cc1cc(nc2sc(C(=O)Nc3ccc(cc3)C(=O)N)c(N)c12)C(F)(F)F 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 H11 compound treatment 1.006 0.0133 0.14 0.919 -0.0181 -0.19 -0.0399 -0.168 3085069 TimTec1_004037 OCC1OC(Oc2cccc(O)c2CCCc3ccc(O)cc3)C(O)C(O)C1O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 H12 compound treatment 1.045 0.0522 0.54 0.94 0.00287 0.03 0.4044 0.746 1309367 TimTec1_004038 O=C(N1CCOCC1)c2nc3ccccc3[nH]2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 H13 compound treatment 1.312 0.319 3.31 1.305 0.368 3.93 5.117 0.9963 1455904 TimTec1_004039 CCc1nc2sc(C#N)c(N)c2cc1C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 H14 compound treatment 1.032 0.0393 0.41 0.946 0.00887 0.09 0.3545 0.8492 1365090 TimTec1_004040 NC(=O)c1ccc(cc1)C(=O)c2ccccc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 H15 compound treatment 0.917 -0.0757 -0.78 0.842 -0.0951 -1.02 -1.2734 -0.9918 1421754 TimTec1_004041 COc1ccc(NCn2c3ccccc3c4ccccc24)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 H16 compound treatment 0.991 -0.00175 -0.02 0.981 0.0439 0.47 0.3186 0.6793 1486169 TimTec1_004042 Cc1ccc2N3CCN(C(CCCC(=O)c2c1)C3=O)C(=O)c4ccccc4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 H17 compound treatment 0.099 -0.894 -9.26 0.09 -0.847 -9.05 -12.9448 -0.9999 3211982 TimTec1_004043 Cc1ccc(cc1)C2=NNC3(S2)C(=O)Nc4ccccc43 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 H18 compound treatment 0.994 0.00125 0.01 0.99 0.0529 0.56 0.4086 0.7231 3085139 TimTec1_004044 Cc1ccc2nc(/N=C/c3ccc(Cl)cc3Cl)sc2c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 H19 compound treatment 1.075 0.0822 0.85 1.037 0.0999 1.07 1.3568 0.9938 3211983 TimTec1_004045 CCn1nc(C)c(/N=C/c2ccc(N(C)C)c(Br)c2)c1C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 H20 compound treatment 0.282 -0.711 -7.36 0.128 -0.809 -8.64 -11.3175 -0.9968 1009941 TimTec1_004046 CC(=O)OC(C(=O)c1ccccc1)c2ccccc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 H21 compound treatment 0.998 0.00525 0.05 0.879 -0.0581 -0.62 -0.4006 -0.6427 1132941 TimTec1_004047 CC1(C)CC(CC(C)(C)N1)N2CCC(O)(C(C2)C(=O)c3ccccc3)c4ccccc4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 H22 compound treatment 0.946 -0.0468 -0.48 0.892 -0.0451 -0.48 -0.6833 -1.0 3085143 TimTec1_004048 Cc1cc(=O)[nH]c(SCC(=O)Nc2ccc(Br)cc2)c1C#N 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 H23 mock treatment 0.98 -0.0127 -0.13 1.002 0.0649 0.69 0.3967 0.5623 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 H24 mock treatment 0.975 -0.0177 -0.18 0.942 0.00487 0.05 -0.0932 -0.4876 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 I01 compound treatment 1.137 0.144 1.49 1.109 0.172 1.84 2.3548 0.9948 1679534 TimTec1_004049 COc1ccc(cc1)C2C3=C(CC(C)(C)CC3=O)Nc4[nH]c(=O)[nH]c(=O)c24 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 I02 compound treatment 1.042 0.0493 0.51 0.957 0.0199 0.21 0.5108 0.9245 3085145 TimTec1_004050 CN(C)c1nc(N)nc(COc2ccc(C)c(C)c2)n1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 I03 compound treatment 1.223 0.23 2.38 1.218 0.281 3.0 3.808 0.9935 1257756 TimTec1_004051 O=c1ccc2ccc(Oc3nc(nc4ccccc34)c5cccnc5)cc2o1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 I04 compound treatment 1.008 0.0153 0.16 0.942 0.00487 0.05 0.1485 0.893 1524978 TimTec1_004052 CCS(=O)(=O)N(CC(=O)N1CCCC1)c2ccc(OC)cc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 I05 compound treatment 1.204 0.211 2.19 1.19 0.253 2.7 3.4574 0.9945 3211984 TimTec1_004053 FC(F)(F)c1cccc(Nc2ncnc3sc4CCCc4c23)c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 I06 compound treatment 0.262 -0.731 -7.57 0.227 -0.71 -7.59 -10.7161 -1.0 1023730 TimTec1_004054 NC(=N)SCc1ccc(Cl)cc1Cl 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 I07 compound treatment 0.868 -0.125 -1.29 0.819 -0.118 -1.26 -1.806 -0.9999 3211985 TimTec1_004055 CC1CCCC(C)N1C(=O)Nc2ccc(Cl)c(Cl)c2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 I08 compound treatment 1.144 0.151 1.57 1.05 0.113 1.21 1.9604 0.9916 3085148 TimTec1_004056 CCN(CC)c1ccc(/C=C/C#N)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 I09 compound treatment 0.935 -0.0578 -0.6 0.967 0.0299 0.32 -0.1973 -0.291 3211986 TimTec1_004057 Cn1c(NC(=O)c2cc(F)c(F)cc2Cl)nc3ccccc13 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 I10 compound treatment 1.021 0.0282 0.29 0.904 -0.0331 -0.35 -0.0433 -0.0944 1379820 TimTec1_004058 CCOC(=O)CC(N)c1cccc(O)c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 I11 compound treatment 0.413 -0.58 -6.0 0.341 -0.596 -6.37 -8.7491 -0.9996 3211987 TimTec1_004059 Cc1ccc(CCC(=O)O)o1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 I12 compound treatment 1.117 0.124 1.29 1.121 0.184 1.96 2.299 0.979 3085152 TimTec1_004060 COc1ccc(/N=C/c2cccn2c3ccc(Br)cc3)cn1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 I13 compound treatment 1.047 0.0542 0.56 1.011 0.0739 0.79 0.9554 0.9861 3211988 TimTec1_004061 NS(=O)(=O)c1ccc(NC(=O)/C=C/c2ccccc2)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 I14 compound treatment 1.163 0.17 1.76 1.117 0.18 1.92 2.6056 0.9991 1519495 TimTec1_004062 CC1(C)CC(C)(c2ccccc2)c3ccccc3N1C(=O)CSc4nnc[nH]4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 I15 compound treatment 1.142 0.149 1.55 1.151 0.214 2.28 2.7087 0.9819 1570543 TimTec1_004063 CCOc1ccc(NCC(=O)n2nc(C)cc2C)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 I16 compound treatment 1.2 0.207 2.15 1.189 0.252 2.69 3.4205 0.9937 3211989 TimTec1_004064 Cc1ccc(SCCNC(=O)c2ccc3ccccc3n2)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 I17 compound treatment 0.978 -0.0147 -0.15 0.92 -0.0171 -0.18 -0.2374 -0.996 1040036 TimTec1_004065 OCC1OC(C(O)C1O)n2cnc3cncnc23 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 I18 compound treatment 1.155 0.162 1.68 1.142 0.205 2.19 2.7359 0.9915 3085155 TimTec1_004066 S=C(NCc1ccco1)Nc2ccc3nc(c4ccccn4)c(nc3c2)c5ccccn5 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 I19 compound treatment 1.033 0.0402 0.42 0.954 0.0169 0.18 0.4222 0.9297 3211990 TimTec1_004067 OC(Cc1c[nH]c2ccccc12)C(=O)O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 I20 compound treatment 1.016 0.0233 0.24 0.938 8.75E-4 0.01 0.1769 0.734 3551456 TimTec1_004068 CN(C)c1ncnc2n(cnc12)C3OC(CO)C(N)C3O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 I21 compound treatment 1.207 0.214 2.22 1.212 0.275 2.94 3.6455 0.9905 1678356 TimTec1_004069 COc1ccc(cc1OC)c2n[nH]c(=S)n2c3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 I22 compound treatment 0.962 -0.0308 -0.32 0.928 -0.00912 -0.1 -0.2941 -0.8831 1862685 TimTec1_004070 Fc1cccc(NC(=O)c2cccc(c2)c3cc4ccccc4oc3=O)c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 I23 mock treatment 1.004 0.0113 0.12 0.879 -0.0581 -0.62 -0.3567 -0.5646 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 I24 mock treatment 0.992 -7.5E-4 -0.01 0.966 0.0289 0.31 0.2126 0.6891 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 J01 compound treatment 1.1 0.107 1.11 0.997 0.0599 0.64 1.2378 0.9656 1494538 TimTec1_004071 OC1C(COC(=O)c2ccccc2)OC3C1Oc4nc(=O)ccn34 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 J02 compound treatment 1.118 0.125 1.3 1.091 0.154 1.64 2.0797 0.9931 3085226 TimTec1_004072 Cc1cc(/C=N/c2ccc(cc2)N3CCOCC3)c(C)n1c4ccc(cc4C)C(=O)O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 J03 compound treatment 1.016 0.0233 0.24 0.989 0.0519 0.55 0.5621 0.9303 3211991 TimTec1_004073 COC(OC)C1(C)NC(=O)c2ccccc2N1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 J04 compound treatment 0.724 -0.269 -2.78 0.509 -0.428 -4.57 -5.2023 -0.9716 3211992 TimTec1_004074 CC1=CCC2C(C)(C)[C@@H](O)CCC2(C)C1COc3ccc4ccc(=O)oc4c3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 J05 compound treatment 0.484 -0.509 -5.27 0.378 -0.559 -5.97 -7.9496 -0.998 3085228 TimTec1_004075 O=C(COc1ccc2ccccc2c1)Nc3ccc(Cc4ccccn4)cc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 J06 compound treatment 1.045 0.0522 0.54 0.926 -0.0111 -0.12 0.2986 0.539 3211993 TimTec1_004076 C[C@H](CSC(=O)C)C(=O)N1CCC[C@H]1C(=O)O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 J07 compound treatment 1.039 0.0462 0.48 0.971 0.0339 0.36 0.5946 0.9904 3085230 TimTec1_004077 OCC1(CO)COC(=N1)COc2ccccc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 J08 compound treatment 1.119 0.126 1.31 1.107 0.17 1.81 2.2079 0.9871 3211994 TimTec1_004078 Cc1cc(C)c(C#N)c(SCC(=O)C2CC2)n1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 J09 compound treatment 0.878 -0.115 -1.19 0.774 -0.163 -1.74 -2.0727 -0.9826 1375364 TimTec1_004079 O=C1CC(Nc2ccc(cc2)N3CCOCC3)C(=O)N1c4ccccc4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 J10 compound treatment 0.866 -0.127 -1.31 0.844 -0.0931 -0.99 -1.6317 -0.9906 1019637 TimTec1_004080 CN(C)c1nc2cc(Cl)ccc2o1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 J11 compound treatment 1.024 0.0313 0.32 0.965 0.0279 0.3 0.4394 0.9991 3211995 TimTec1_004081 Oc1ccc(cc1)C(=O)NN2C(SCC2=O)c3ccco3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 J12 compound treatment 0.212 -0.781 -8.09 0.201 -0.736 -7.86 -11.2787 -0.9999 3211996 TimTec1_004082 COc1ccc(/C=C/2\C(=O)N(C(c3ccc(F)cc3)S2(=O)=O)c4ccc(Cl)cc4)c(OC)c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 J13 compound treatment 0.883 -0.11 -1.14 0.954 0.0169 0.18 -0.6763 -0.5876 1535419 TimTec1_004083 OC(COc1ccc(cc1)C(=O)c2ccccc2)CN3C(=O)c4ccccc4C3=O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 J14 compound treatment 1.009 0.0162 0.17 0.941 0.00387 0.04 0.1483 0.8555 1646040 TimTec1_004084 CCOC(=O)C1=C(C)NC(=O)NC1C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 J15 compound treatment 1.094 0.101 1.05 1.074 0.137 1.46 1.7755 0.9867 1413879 TimTec1_004085 Ic1ccc2nc(c3ccccc3)n(NC(=S)NCC=C)c(=O)c2c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 J16 compound treatment 1.271 0.278 2.88 1.275 0.338 3.61 4.5902 0.9938 1498022 TimTec1_004086 O=C1C2C(C(C=CC2c3ccccc3)c4ccccc4)C(=O)N1Cc5ccccc5 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 J17 compound treatment 1.166 0.173 1.79 1.153 0.216 2.31 2.8996 0.9923 1546528 TimTec1_004087 CCC(=O)N(C(=O)CC)c1cc2oc3ccccc3c2cc1OC 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 J18 compound treatment 1.052 0.0592 0.61 1.017 0.0799 0.85 1.0373 0.9869 3211997 TimTec1_004088 COc1ccc(/C=N/c2nc3c(ccc4ccccc34)s2)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 J19 compound treatment 0.974 -0.0187 -0.19 0.895 -0.0421 -0.45 -0.4555 -0.9294 3085236 TimTec1_004089 OCc1coc(O)c(CN2CCCCC2)c1=O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 J20 compound treatment 0.955 -0.0378 -0.39 0.924 -0.0131 -0.14 -0.3756 -0.9043 1049537 TimTec1_004090 OCCNC(=O)c1ccc(cc1)C(=O)NCCO 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 J21 compound treatment 1.045 0.0522 0.54 0.959 0.0219 0.23 0.5479 0.9295 3085238 TimTec1_004091 O=c1[nH]cnc2ccc(NC(=S)NC3CC3)cc12 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 J22 compound treatment 0.929 -0.0638 -0.66 0.833 -0.104 -1.11 -1.2535 -0.969 1129244 TimTec1_004092 Brc1ccc2[nH]c3C(CCCc3c2c1)NCc4ccccc4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 J23 mock treatment 0.991 -0.00175 -0.02 0.934 -0.00312 -0.03 -0.0364 -0.9588 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 J24 mock treatment 0.992 -7.5E-4 -0.01 0.976 0.0389 0.42 0.2882 0.6938 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 K01 compound treatment 1.03 0.0372 0.39 1.05 0.113 1.21 1.1255 0.8889 3085240 TimTec1_004093 Cc1ccc(Cl)c(c1)C(=O)NC2=CC(=O)CC(C)(C)C2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 K02 compound treatment 1.235 0.242 2.51 1.185 0.248 2.65 3.6466 0.9996 3212056 TimTec1_004094 COC(OC)C1Nc2ccccc2C(=O)N1c3cccc(c3)C(F)(F)F 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 K03 compound treatment 1.24 0.247 2.56 1.085 0.148 1.58 2.9278 0.9731 1870332 TimTec1_004095 COc1ccc(cc1)c2cc(c3ccccc3O)n(n2)C4C(=O)Nc5ccc(Br)cc45 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 K04 compound treatment 1.066 0.0732 0.76 1.035 0.0979 1.05 1.2758 0.9876 3085242 TimTec1_004096 CC(C)(C)NC(=S)NCc1ccccc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 K05 compound treatment 1.081 0.0882 0.91 1.064 0.127 1.36 1.6047 0.9816 1547474 TimTec1_004097 CN1CCN(CC1)C(c2ccncc2)c3ccc4cccnc4c3O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 K06 compound treatment 0.445 -0.548 -5.67 0.391 -0.546 -5.83 -8.137 -0.9999 1031437 TimTec1_004098 COc1cc(CC=C)ccc1OCc2ccccc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 K07 compound treatment 0.725 -0.268 -2.77 0.674 -0.263 -2.81 -3.9486 -1.0 3212057 TimTec1_004099 FC(F)(F)c1cccc(NC(=O)N2CCN(Cc3ccccc3)CC2)c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 K08 compound treatment 1.214 0.221 2.29 1.217 0.28 2.99 3.7346 0.9914 3085313 TimTec1_004100 O=C1CC(N(N=C1C#N)c2ccccc2)c3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 K09 compound treatment 0.929 -0.0638 -0.66 0.924 -0.0131 -0.14 -0.566 -0.8386 1194194 TimTec1_004101 O=C(CCC(=O)Nc1cccc2ccccc12)Nc3cccc4ccccc34 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 K10 compound treatment 0.996 0.00325 0.03 0.968 0.0309 0.33 0.257 0.7752 3085314 TimTec1_004102 O[C@H]1CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]2C1C(=O)O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 K11 compound treatment 1.12 0.127 1.32 1.114 0.177 1.89 2.2681 0.9845 3212058 TimTec1_004103 Cc1ccc2nc(sc2c1)c3ccc(NC(=O)[C@@H]4CCCC[C@@H]4C(=O)O)cc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 K12 compound treatment 1.046 0.0532 0.55 1.003 0.0659 0.7 0.8876 0.9927 3212059 TimTec1_004104 Cc1cccc(OCCNC(=O)c2cccnc2)c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 K13 compound treatment 1.33 0.337 3.49 1.328 0.391 4.18 5.4226 0.9961 1300948 TimTec1_004105 COC(=O)c1c(NC(=O)C)sc2CCCc12 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 K14 compound treatment 1.006 0.0133 0.14 0.944 0.00687 0.07 0.149 0.9571 3085318 TimTec1_004106 CCN(CC)C(=O)c1nn(C)c(=O)c2ccccc12 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 K15 compound treatment 1.16 0.167 1.73 1.135 0.198 2.11 2.7197 0.9951 1423050 TimTec1_004107 CS(=O)(=O)N(Cc1ccccc1)c2ccccc2C(=O)Nc3cccc(Br)c3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 K16 compound treatment 1.009 0.0162 0.17 0.887 -0.0501 -0.54 -0.2596 -0.4626 3212060 TimTec1_004108 OCCCc1nnc(SC(=O)O)n1c2ccccc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 K17 compound treatment 0.527 -0.466 -4.82 0.512 -0.425 -4.54 -6.6224 -0.9995 3085320 TimTec1_004109 Cc1cc(C)n(n1)C(=O)CSc2ccc(cc2)C(C)(C)C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 K18 compound treatment 0.849 -0.144 -1.49 0.806 -0.131 -1.4 -2.0433 -0.9995 3212061 TimTec1_004110 Fc1ccc(cc1)S(=O)(=O)Nc2nonc2NS(=O)(=O)c3ccc(F)cc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 K19 compound treatment 0.845 -0.148 -1.53 0.835 -0.102 -1.09 -1.8535 -0.9863 3085322 TimTec1_004111 CC1(C)[C@H]2CCC1(CS(=O)(=O)N(C3CCCCC3)C4CCCCC4)C(O)C2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 K20 compound treatment 0.243 -0.75 -7.77 0.174 -0.763 -8.15 -11.2556 -0.9997 3212062 TimTec1_004112 COC(=O)C/1=C(C)NC(=O)\C1=C/c2ccc(cc2)C(=O)OC 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 K21 compound treatment 1.095 0.102 1.06 1.103 0.166 1.77 2.0019 0.9697 1494618 TimTec1_004113 COc1ccccc1C(=O)Nc2ccc3nc(SCC(=O)Nc4ccc(C)cc4C)sc3c2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 K22 compound treatment 1.015 0.0222 0.23 0.96 0.0229 0.24 0.3358 0.9996 1021964 TimTec1_004114 NCCc1ccc(cc1)S(=O)(=O)N 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 K23 mock treatment 0.963 -0.0298 -0.31 0.879 -0.0581 -0.62 -0.657 -0.9477 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 K24 mock treatment 1.024 0.0313 0.32 0.941 0.00387 0.04 0.2581 0.7911 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 L01 compound treatment 1.018 0.0253 0.26 1.023 0.0859 0.92 0.8336 0.8739 1265817 TimTec1_004115 Cc1ccc(NC2OC(CO)C(O)C2O)cc1C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 L02 compound treatment 1.021 0.0282 0.29 0.969 0.0319 0.34 0.4477 0.9971 3212063 TimTec1_004116 O=C(CSc1nnc(c2ccccc2)n1CCN3CCOCC3)NC4CCCCC4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 L03 compound treatment 0.989 -0.00375 -0.04 0.949 0.0119 0.13 0.0622 0.4691 3085326 TimTec1_004117 Cc1cc(C(=O)O)c(CSCc2cc(oc2C)C(=O)O)o1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 L04 compound treatment 1.017 0.0242 0.25 0.964 0.0269 0.29 0.3806 0.9978 1576521 TimTec1_004118 COc1ccc(CN(CCCN)CCC2(CC(C)N(C)CC2C)c3ccccc3)cc1OC 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 L05 compound treatment 1.007 0.0142 0.15 0.995 0.0579 0.62 0.5416 0.852 3212064 TimTec1_004119 CCCc1cc2OCOc2cc1NC(=O)C(C)(C)C(=O)Nc3cc4OCOc4cc3CCC 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 L06 compound treatment 1.078 0.0853 0.88 1.004 0.0669 0.71 1.1295 0.9945 3085328 TimTec1_004120 Oc1cccc(c1)c2cc(=O)c3cc(O)ccc3o2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 L07 compound treatment 0.956 -0.0368 -0.38 0.931 -0.00612 -0.07 -0.3154 -0.8167 3085330 TimTec1_004121 Nc1cccc(c1)C2OCCCO2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 L08 compound treatment 1.009 0.0162 0.17 0.922 -0.0151 -0.16 0.0048 0.0204 3212065 TimTec1_004122 Cc1cc(=O)[nH]c(SCC(=O)C2(CC3CC4CC(C3)C2)C4)c1C#N 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 L09 compound treatment 1.049 0.0562 0.58 0.993 0.0559 0.6 0.834 0.9999 1408553 TimTec1_004123 CC(C)NC(=O)C(Cc1ccccc1)N2C(=O)c3ccccc3C2=O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 L10 compound treatment 0.12 -0.873 -9.04 0.1 -0.837 -8.94 -12.7154 -1.0 3085403 TimTec1_004124 Cc1cc2COC(=O)c2c(Sc3ccccc3)n1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 L11 compound treatment 0.044 -0.949 -9.83 0.048 -0.889 -9.5 -13.6649 -0.9999 3212066 TimTec1_004125 O=C/1OC(=N\C1=C/2\OC(=O)c3ccccc23)c4ccccc4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 L12 compound treatment 1.075 0.0822 0.85 1.001 0.0639 0.68 1.0849 0.994 1563075 TimTec1_004126 O=C1CCCC2=C1C(Nc3ccc4ccccc4c23)c5cccnc5 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 L13 compound treatment 0.242 -0.751 -7.78 0.236 -0.701 -7.49 -10.7946 -0.9998 3085407 TimTec1_004127 Fc1ccc(C/N=C\c2cc3ccccc3nc2Cl)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 L14 compound treatment 0.763 -0.23 -2.38 0.667 -0.27 -2.89 -3.7232 -0.9954 1705522 TimTec1_004128 Oc1ccc(cc1CN2CCN(CCC#N)CC2)c3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 L15 compound treatment 1.16 0.167 1.73 1.145 0.208 2.22 2.7952 0.9924 3085409 TimTec1_004129 COc1cc(ccc1O)c2nc(S)nc(N)c2C#N 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 L16 compound treatment 0.986 -0.00675 -0.07 0.944 0.00687 0.07 0.0025 0.0247 1136694 TimTec1_004130 Cc1cccc(NC(=O)CNC(=O)OCc2ccccc2)c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 L17 compound treatment 1.39 0.397 4.11 1.39 0.453 4.84 6.3304 0.9967 1605978 TimTec1_004131 Cn1c(=O)c(c2cc(c3ccccc3C(=O)NN)n(n2)c4ccccc4)c(O)c5ccccc15 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 L18 compound treatment 0.972 -0.0208 -0.21 0.902 -0.0351 -0.38 -0.4173 -0.965 3085412 TimTec1_004132 CCOc1ccc(cc1)[C@H]2[C@@H]3CN(Cc4ccccc4)CC=C3C(=C(N)C2(C#N)C#N)C#N 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 L19 compound treatment 1.117 0.124 1.29 1.085 0.148 1.58 2.027 0.9948 3212067 TimTec1_004133 C(NC1=NC=N2CCn3cnc1c23)c4ccco4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 L20 compound treatment 1.013 0.0202 0.21 1.015 0.0779 0.83 0.7366 0.8585 1912645 TimTec1_004134 CC(=O)n1nc(C)cc1c2ccccc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 L21 compound treatment 1.086 0.0933 0.97 1.117 0.18 1.92 2.0417 0.9493 3085414 TimTec1_004135 Sc1nnc(COc2ccccc2Cl)o1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 L22 compound treatment 1.122 0.129 1.34 1.103 0.166 1.77 2.1996 0.9904 1409212 TimTec1_004136 COc1ccccc1CNC(=O)COc2ccccc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 L23 mock treatment 1.006 0.0133 0.14 0.962 0.0249 0.27 0.2849 0.9527 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 L24 mock treatment 0.966 -0.0268 -0.28 0.885 -0.0521 -0.56 -0.5897 -0.9481 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 M01 compound treatment 0.547 -0.446 -4.62 0.55 -0.387 -4.14 -6.1889 -0.9985 1608236 TimTec1_004137 CC(C)c1ccc(cc1)c2csc3ncn(N)c(=O)c23 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 M02 compound treatment 1.275 0.282 2.92 1.244 0.307 3.28 4.3853 0.9984 3212068 TimTec1_004138 Cn1c(=O)n(C)c2cc(CN3C(=O)c4ccccc4C3=O)ccc12 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 M03 compound treatment 1.415 0.422 4.37 1.405 0.468 5.0 6.6268 0.9978 1233601 TimTec1_004139 Cc1nn(c2CC(CC(=O)c12)c3ccco3)c4ccccn4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 M04 compound treatment 1.09 0.0973 1.01 1.082 0.145 1.55 1.8066 0.9783 1300398 TimTec1_004140 O=C(NC1CC1)c2ccc(CN(c3ccccc3)S(=O)(=O)c4ccccc4)cc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 M05 compound treatment 0.127 -0.866 -8.97 0.116 -0.821 -8.77 -12.5433 -0.9999 1190193 TimTec1_004141 Cc1[nH]c2ccccc2c1C(N3CCN(CC3)c4ccccc4)c5cccs5 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 M06 compound treatment 0.997 0.00425 0.04 0.976 0.0389 0.42 0.3248 0.7777 1227000 TimTec1_004142 NNc1ccc2[nH]c(=O)[nH]c2c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 M07 compound treatment 1.187 0.194 2.01 1.195 0.258 2.75 3.3706 0.9881 1560140 TimTec1_004143 Fc1ccc(Cn2cnc3ccccc3c2=O)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 M08 compound treatment 1.156 0.163 1.69 1.106 0.169 1.8 2.4713 0.9995 3212133 TimTec1_004144 CC(=O)O[C@@]1(CCC2C3CCC4=CC(=O)CC[C@]4(C)C3[C@@H](O)C[C@@]21C)C(=O)CO 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 M09 compound treatment 0.889 -0.104 -1.07 0.911 -0.0261 -0.28 -0.9572 -0.8622 3085420 TimTec1_004145 Brc1ccc(o1)C(=O)Nc2ccc(C#N)cc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 M10 compound treatment 1.017 0.0242 0.25 0.909 -0.0281 -0.3 -0.0349 -0.089 3212134 TimTec1_004146 CCC1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@H]4NCCc5cc(OC)c(OC)cc45 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 M11 compound treatment 0.406 -0.587 -6.08 0.266 -0.671 -7.17 -9.3669 -0.9966 3085422 TimTec1_004147 C[C@@H]1CC2(CCCN2Cc3ccccc3)C[C@H]1C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 M12 compound treatment 0.125 -0.868 -8.99 0.124 -0.813 -8.69 -12.4975 -0.9999 3085423 TimTec1_004148 O=C(NCCN1CCN=C1c2ccccc2)c3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 M13 compound treatment 1.147 0.154 1.6 1.125 0.188 2.01 2.5489 0.9936 1325497 TimTec1_004149 CCC(=O)Nc1ccccc1C(=O)Nc2ccccc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 M14 compound treatment 1.035 0.0422 0.44 0.979 0.0419 0.45 0.6258 0.9999 3085425 TimTec1_004150 O=c1cc(CSc2nc3ccccc3s2)c4ccccc4[nH]1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 M15 compound treatment 0.957 -0.0358 -0.37 0.904 -0.0331 -0.35 -0.512 -0.9997 1732529 TimTec1_004151 CC(C)NS(=O)(=O)c1ccc(NC(=O)C)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 M16 compound treatment 1.259 0.266 2.76 1.264 0.327 3.49 4.4192 0.9932 1321742 TimTec1_004152 CC(C)(C)NC(=O)CSc1nc2ccccc2n1c3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 M17 compound treatment 0.956 -0.0368 -0.38 0.925 -0.0121 -0.13 -0.3607 -0.8972 3212135 TimTec1_004153 O=S(=O)(NCCCn1ccnc1)c2ccc3ccccc3c2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 M18 compound treatment 0.983 -0.00975 -0.1 0.97 0.0329 0.35 0.1769 0.4842 3084387 TimTec1_004154 Cc1ccc(cc1S(=O)(=O)NC(C)(C)CO)c2nnc(N3CCOCC3)c4ccccc24 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 M19 compound treatment 0.974 -0.0187 -0.19 0.89 -0.0471 -0.5 -0.4933 -0.9142 1026799 TimTec1_004155 OC(=O)c1ccc(Br)c(c1)C(=O)O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 M20 compound treatment 1.17 0.177 1.84 1.15 0.213 2.27 2.9062 0.9944 3212136 TimTec1_004156 OC(=O)c1ccc(cc1)N2N=C(/C(=C/c3ccc(o3)c4ccc5C(=O)NC(=O)c5c4)/C2=O)C(F)(F)F 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 M21 compound treatment 0.921 -0.0717 -0.74 0.907 -0.0301 -0.32 -0.753 -0.9299 3084389 TimTec1_004157 COc1ccc(cc1)C2CC(=O)Nc3cc4OCOc4cc23 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 M22 compound treatment 0.963 -0.0298 -0.31 0.931 -0.00612 -0.07 -0.2641 -0.8386 3069528 TimTec1_004158 C/C=C\1/C[C@@H](C)[C@](O)(CO)C(=O)OCC2=CCN3CC[C@@H](OC1=O)[C@H]32 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 M23 mock treatment 0.976 -0.0168 -0.17 0.877 -0.0601 -0.64 -0.5769 -0.867 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 M24 mock treatment 0.993 2.5E-4 0.0 0.956 0.0189 0.2 0.1444 0.7161 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 N01 compound treatment 0.99 -0.00275 -0.03 0.932 -0.00512 -0.05 -0.0589 -0.9536 3212137 TimTec1_004159 OCC1OC(CC1O)Nc2ccccc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 N02 compound treatment 0.07 -0.923 -9.56 0.058 -0.879 -9.39 -13.3989 -1.0 3212138 TimTec1_004160 CC/1=NNC(=O)\C1=C/c2cn(nc2c3ccc(F)cc3)c4ccccc4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 N03 compound treatment 1.01 0.0173 0.18 0.965 0.0279 0.3 0.3369 0.9701 3084392 TimTec1_004161 Cn1cnnc1c2ccc(N)cc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 N04 compound treatment 1.315 0.322 3.34 1.307 0.37 3.95 5.1541 0.9965 3084393 TimTec1_004162 CN(Cc1ccccc1)C(=O)Cc2ccccc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 N05 compound treatment 1.014 0.0213 0.22 0.976 0.0389 0.42 0.4493 0.9559 3212139 TimTec1_004163 Cc1nc2ccc(NC(=O)C(C)(C)C(=O)Nc3ccc4nc(C)c(C)nc4c3)cc2nc1C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 N06 compound treatment 1.129 0.136 1.41 1.088 0.151 1.61 2.1376 0.9978 3084395 TimTec1_004164 Cc1ccccc1OCc2nnc(S)n2C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 N07 compound treatment 0.824 -0.169 -1.75 0.837 -0.1 -1.07 -1.9922 -0.9722 3212140 TimTec1_004165 O=C(/C=C/c1cccs1)C(=C2SCCCCS2)C(=O)c3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 N08 compound treatment 1.009 0.0162 0.17 0.962 0.0249 0.27 0.3069 0.9757 1485279 TimTec1_004166 CCOC(=O)C1=C(C)NC2(O)CC1C3COC2O3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 N09 compound treatment 1.057 0.0642 0.67 1.019 0.0819 0.87 1.089 0.9909 1264107 TimTec1_004167 Cc1ccc(cc1)C2Nc3ccc4ccccc4c3C5=C2C(=O)CC(C)(C)C5 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 N10 compound treatment 1.291 0.298 3.09 1.319 0.382 4.08 5.069 0.9906 1616817 TimTec1_004168 CCc1nc(SCC(=O)C(C)(C)C)c(C#N)cc1C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 N11 compound treatment 0.058 -0.935 -9.68 0.056 -0.881 -9.41 -13.5019 -0.9999 1253074 TimTec1_004169 O=C(NC(=S)NCc1ccco1)c2ccccc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 N12 compound treatment 0.803 -0.19 -1.97 0.813 -0.124 -1.33 -2.3273 -0.9817 3084399 TimTec1_004170 Cc1[nH]c2ccccc2c1/C=N/c3c(nc4ccccn34)c5ccco5 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 N13 compound treatment 0.993 2.5E-4 0.0 0.935 -0.00212 -0.02 -0.0142 -0.6224 1017704 TimTec1_004171 Nc1ncnc2[nH]c(nc12)N3CCCCC3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 N14 compound treatment 0.046 -0.947 -9.81 0.046 -0.891 -9.52 -13.6653 -0.9999 3212141 TimTec1_004172 CCOC(=O)c1sc(SC#N)c(c1N)c2ccccc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 N15 compound treatment 0.918 -0.0747 -0.77 0.882 -0.0551 -0.59 -0.9639 -0.9909 1004708 TimTec1_004173 COc1ccccc1C(=O)O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 N16 compound treatment 1.01 0.0173 0.18 0.993 0.0559 0.6 0.5484 0.8802 1222145 TimTec1_004174 CC(C)N1CC(COc2ccccc2)OC1=O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 N17 compound treatment 1.249 0.256 2.65 1.245 0.308 3.29 4.2024 0.9943 3084402 TimTec1_004175 Cc1cc(N)n(n1)c2ncnc3sc4CCCCc4c23 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 N18 compound treatment 0.741 -0.252 -2.61 0.739 -0.198 -2.12 -3.3404 -0.9946 1166305 TimTec1_004176 Cc1ccc(cc1S)S(=O)(=O)c2ccccc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 N19 compound treatment 0.233 -0.76 -7.87 0.222 -0.715 -7.64 -10.9663 -0.9999 3212142 TimTec1_004177 Cc1nc2ccccc2nc1N/C(=N/C(=O)c3ccccc3)/N 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 N20 compound treatment 0.916 -0.0767 -0.79 0.914 -0.0231 -0.25 -0.7368 -0.8851 1378550 TimTec1_004178 O=C1CCC(=O)N1CNc2ccc(cc2)c3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 N21 compound treatment 1.018 0.0253 0.26 1.008 0.0709 0.76 0.7203 0.8992 3212143 TimTec1_004179 Cc1nc2ccc(NC(=O)N3CC4(C)CC3CC(C)(C)C4)cc2nc1C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 N22 compound treatment 0.905 -0.0877 -0.91 0.851 -0.0861 -0.92 -1.2932 -1.0 1205779 TimTec1_004180 NC(=O)c1cc2ccccc2oc1=O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 N23 mock treatment 1.032 0.0393 0.41 0.929 -0.00812 -0.09 0.2261 0.5439 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 N24 mock treatment 0.945 -0.0478 -0.49 0.887 -0.0501 -0.54 -0.7284 -0.9992 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 O01 compound treatment 1.07 0.0772 0.8 1.072 0.135 1.44 1.5846 0.9615 1144219 TimTec1_004181 Cc1sc2ncnc(N3CCN(Cc4ccccc4)CC3)c2c1c5ccc(F)cc5 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 O02 compound treatment 1.064 0.0712 0.74 1.036 0.0989 1.06 1.2687 0.9846 3084915 TimTec1_004182 COc1ccc(cc1OC)c2nnc(SC)n2CC=C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 O03 compound treatment 1.178 0.185 1.92 1.139 0.202 2.16 2.8817 0.9983 1582942 TimTec1_004183 CC1=CCC(C(C1)c2ccc(Br)cc2)(C(=O)O)C(=O)NCc3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 O04 compound treatment 0.997 0.00425 0.04 0.937 -1.25E-4 0.0 0.0302 0.6853 1277662 TimTec1_004184 COc1ccc(cc1)C(=O)NC2CCCCC2NC(=O)c3ccc(OC)cc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 O05 compound treatment 1.24 0.247 2.56 1.216 0.279 2.98 3.9174 0.9972 1305407 TimTec1_004185 Fc1ccc(cc1)c2csc3ncnc(Oc4ccc5ccc(=O)oc5c4)c23 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 O06 compound treatment 0.727 -0.266 -2.75 0.515 -0.422 -4.51 -5.1351 -0.9719 3212144 TimTec1_004186 OC(=O)c1cc(ccc1Cl)N2N=C(/C(=C/c3ccc(o3)c4ccccc4)/C2=O)C(F)(F)F 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 O07 compound treatment 1.261 0.268 2.78 1.27 0.333 3.56 4.4791 0.9925 3084918 TimTec1_004187 COC(=O)c1nn(c(Br)c1C(=O)OC)c2ccc(Br)cc2C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 O08 compound treatment 1.136 0.143 1.48 1.172 0.235 2.51 2.8234 0.9686 3084920 TimTec1_004188 COc1cc(Br)c(CN(CCc2ccc(O)cc2)C(=O)C(F)(F)F)cc1O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 O09 compound treatment 0.93 -0.0628 -0.65 0.916 -0.0211 -0.23 -0.6191 -0.8999 1388832 TimTec1_004189 Clc1ccccc1C(=O)NC2CCCCC2NC(=O)c3ccccc3Cl 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 O10 compound treatment 0.944 -0.0488 -0.5 0.943 0.00587 0.06 -0.3126 -0.6145 1535096 TimTec1_004190 CC(C)c1ccc(cc1)C2C(=C(N)Oc3c2n(C(=O)C)c4ccccc34)C#N 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 O11 compound treatment 1.176 0.183 1.9 1.177 0.24 2.56 3.1541 0.9891 1851014 TimTec1_004191 COc1ccc2c(Cl)c(sc2c1)C(=O)Oc3ccccc3Cl 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 O12 compound treatment 0.484 -0.509 -5.27 0.506 -0.431 -4.61 -6.9827 -0.9978 1407017 TimTec1_004192 CCN(CC)c1ccc2c(c1)oc(=O)c3c(Cl)cc(=O)oc23 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 O13 compound treatment 0.601 -0.392 -4.06 0.482 -0.455 -4.86 -6.3071 -0.996 1440352 TimTec1_004193 OC(=O)c1ccccc1C(=O)N2CCc3ccccc23 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 O14 compound treatment 0.56 -0.433 -4.48 0.473 -0.464 -4.96 -6.6754 -0.9987 3084985 TimTec1_004194 COC(=O)Nc1ncc(CN2CCC(C)CC2)s1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 O15 compound treatment 0.914 -0.0788 -0.82 0.861 -0.0761 -0.81 -1.1518 -1.0 1441746 TimTec1_004195 O=C(Cc1ccccc1)NN(c2ccccc2)c3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 O16 compound treatment 1.08 0.0873 0.9 1.085 0.148 1.58 1.7561 0.9649 1247973 TimTec1_004196 CC1CCCCN1C(=O)c2ccccc2NS(=O)(=O)c3ccc4ccccc4c3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 O17 compound treatment 0.978 -0.0147 -0.15 0.966 0.0289 0.31 0.1101 0.3199 3084989 TimTec1_004197 CCOCC(O)CSc1nc(C)cc(C)n1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 O18 compound treatment 0.956 -0.0368 -0.38 0.868 -0.0691 -0.74 -0.7913 -0.9525 1089162 TimTec1_004198 OCC1OC(C(O)C1O)n2ccc(NC(=O)c3ccccc3)nc2=O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 O19 compound treatment 0.982 -0.0107 -0.11 0.887 -0.0501 -0.54 -0.4574 -0.8362 3084991 TimTec1_004199 CC1(C)[C@H]2CCC1(CS(=O)(=O)N)C(=O)C2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 O20 compound treatment 0.517 -0.476 -4.93 0.458 -0.479 -5.12 -7.1036 -0.9998 3212307 TimTec1_004200 OC(=O)c1cc(cc(c1)c2ccc(/C=N\c3ccc4[nH]c(=O)[nH]c4c3)o2)C(=O)O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 O21 compound treatment 0.887 -0.106 -1.1 0.855 -0.0821 -0.88 -1.3949 -0.994 3084993 TimTec1_004201 Clc1ccc(cc1)C2NC(=O)NC(=C2)c3ccc(Cl)cc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 O22 compound treatment 0.145 -0.848 -8.78 0.143 -0.794 -8.48 -12.2075 -0.9999 1067834 TimTec1_004202 NCCC(c1ccccc1)c2ccccc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 O23 mock treatment 0.981 -0.0118 -0.12 0.906 -0.0311 -0.33 -0.3212 -0.9071 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 O24 mock treatment 0.929 -0.0638 -0.66 0.939 0.00187 0.02 -0.4527 -0.6853 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 P01 compound treatment 1.001 0.00825 0.09 0.971 0.0339 0.36 0.3163 0.8507 3212216 TimTec1_004203 CC(C)(C)C1(O)CC2OC(=O)CC23C(=O)OC4OC(=O)C(O)C413 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 P02 compound treatment 1.056 0.0633 0.66 1.02 0.0829 0.89 1.0893 0.989 1735319 TimTec1_004204 CCOC(=O)c1nn(c2ccc(Cl)cc2)c(=N)c3c(N)c(C#N)c(N)nc13 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 P03 compound treatment 1.076 0.0833 0.86 1.006 0.0689 0.74 1.13 0.9969 3212217 TimTec1_004205 COc1cc2C[C@@H]3N(C)CCc4c(N)c(OC)c(OC)c(-c2cc1OC)c34 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 P04 compound treatment 1.029 0.0362 0.38 1.012 0.0749 0.8 0.8311 0.9405 3084996 TimTec1_004206 Oc1ccc2cc(c3cccc(Br)c3)c(=O)oc2c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 P05 compound treatment 1.081 0.0882 0.91 1.052 0.115 1.23 1.5141 0.9895 3212218 TimTec1_004207 Cc1ccc(cc1Cl)C(=O)NC2CS(=O)(=O)CC2NC(=O)c3ccc(C)c(Cl)c3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 P06 compound treatment 1.033 0.0402 0.42 0.92 -0.0171 -0.18 0.1654 0.3633 1055533 TimTec1_004208 NC(=O)c1c(F)c(F)c(N)c(F)c1F 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 P07 compound treatment 0.988 -0.00475 -0.05 0.993 0.0559 0.6 0.3873 0.6466 3212219 TimTec1_004209 OC1=CC(O)(N(/N=C/2\C(=O)Nc3ccc(Br)cc23)C1=O)c4ccccc4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 P08 compound treatment 1.246 0.253 2.62 1.256 0.319 3.41 4.2635 0.9917 3084999 TimTec1_004210 CC/C(=N/O)/C(=O)c1ccc(Br)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 P09 compound treatment 0.492 -0.501 -5.19 0.544 -0.393 -4.2 -6.637 -0.9945 1118292 TimTec1_004211 COc1ccc(NC(=O)CC(=O)c2ccccc2)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 P10 compound treatment 0.884 -0.109 -1.13 0.806 -0.131 -1.4 -1.787 -0.9942 3212220 TimTec1_004212 CC1(C)N2CN(CCCCN3CN4N(C3)C4(C)C)CN21 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 P11 compound treatment 1.024 0.0313 0.32 0.941 0.00387 0.04 0.2581 0.7911 3085001 TimTec1_004213 FC(F)(F)c1ccccc1NCn2nnc3ccccc23 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 P12 compound treatment 0.965 -0.0278 -0.29 0.889 -0.0481 -0.51 -0.5668 -0.9622 1471541 TimTec1_004214 OC(=O)CCNc1ccc(Br)cc1C(=O)O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 P13 compound treatment 1.0 0.00725 0.08 0.932 -0.00512 -0.05 0.0144 0.1547 3212221 TimTec1_004215 CCOC(=O)c1[nH]c(=O)[nH]c1CC2C(=O)CC(C)(C)CC2=O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 P14 compound treatment 1.102 0.109 1.13 1.067 0.13 1.39 1.7812 0.9949 1913403 TimTec1_004216 CN(C)c1nc(OC(C(F)(F)F)C(F)(F)F)nc(n1)N(c2ccccc2)c3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 P15 compound treatment 0.042 -0.951 -9.85 0.043 -0.894 -9.55 -13.7173 -0.9999 1008937 TimTec1_004217 C(COc1ccccc1)Oc2ccccc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 P16 compound treatment 1.055 0.0622 0.64 0.996 0.0589 0.63 0.9006 0.9999 1247888 TimTec1_004218 O=C(CSc1ccccn1)NCC(=O)c2ccccc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 P17 compound treatment 1.17 0.177 1.84 1.16 0.223 2.38 2.9817 0.9917 1266971 TimTec1_004219 C(Sc1nc2ccccc2o1)c3cccc(Oc4ccccc4)c3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 P18 compound treatment 1.183 0.19 1.97 1.169 0.232 2.48 3.1449 0.9936 3212222 TimTec1_004220 Cc1nnc(SCc2ccc(F)cc2)s1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 P19 compound treatment 1.13 0.137 1.42 1.069 0.132 1.41 2.0014 1.0 1377201 TimTec1_004221 O=C1N(CCNS(=O)(=O)c2ccc3oc4ccccc4c3c2)Cc5ccccc15 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 P20 compound treatment 0.146 -0.847 -8.77 0.171 -0.766 -8.18 -11.9887 -0.9994 1474244 TimTec1_004222 CC1(C)Cc2c(CO1)c(nc3sc(cc23)C(=O)O)N4CCOCC4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 P21 compound treatment 1.272 0.279 2.89 1.273 0.336 3.59 4.5824 0.9943 3212223 TimTec1_004223 COc1cccc2C(CC(=O)c3ccc(O)cc3)C4=C(CC(C)(C)CC4=O)Oc12 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 P22 compound treatment 1.138 0.145 1.5 1.121 0.184 1.96 2.4528 0.9913 3085007 TimTec1_004224 CC(=CCS(=O)(=O)c1ccccc1)C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 P23 mock treatment 0.996 0.00325 0.03 0.922 -0.0151 -0.16 -0.0905 -0.548 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2074 P24 mock treatment 1.007 0.0142 0.15 0.889 -0.0481 -0.51 -0.2592 -0.4846 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 A01 compound treatment 1.155 0.277 2.87 1.196 0.333 3.55 4.5416 0.9944 3085008 TimTec1_004225 CC(=C)CS(=O)(=O)c1ccccc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 A02 compound treatment 0.985 0.107 1.11 0.972 0.109 1.16 1.6044 0.9997 1397478 TimTec1_004226 COc1ccc(NC(=O)C2C(=C2c3ccccc3)c4ccccc4)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 A03 compound treatment 1.119 0.241 2.5 1.072 0.209 2.23 3.3412 0.9984 1295145 TimTec1_004227 CCOC(=O)C1(C(CC(=O)CC1c2ccccc2)c3ccccc3)C(=O)OCC 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 A04 compound treatment 1.114 0.236 2.44 1.133 0.27 2.88 3.7654 0.9967 1717498 TimTec1_004228 CC(C)(C)C(=O)NCCc1c[nH]c2ccccc12 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 A05 compound treatment 0.921 0.0431 0.45 0.943 0.0796 0.85 0.9166 0.9546 3212224 TimTec1_004229 CC(C)(COC(=O)c1ccccc1)NC2=NS(=O)(=O)c3ccccc23 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 A06 compound treatment 0.795 -0.0829 -0.86 0.743 -0.12 -1.29 -1.517 -0.9807 1324852 TimTec1_004230 CC1CC(O)(Cc2ccc(C)cc2)C(C)CN1C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 A07 compound treatment 1.014 0.136 1.41 1.05 0.187 1.99 2.406 0.9856 1528736 TimTec1_004231 COc1cccc(CC(C)C(=O)N)c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 A08 compound treatment 1.21 0.332 3.44 0.463 -0.4 -4.28 -0.5929 -0.108 3212225 TimTec1_004232 COc1c(ccc2ccccc12)C(=O)NCCOc3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 A09 compound treatment 0.848 -0.0299 -0.31 0.866 0.00259 0.03 -0.1997 -0.6414 3212226 TimTec1_004233 CC(=O)OCC(=O)[C@@]1(O)CCC2C3CCC4CC(=O)CCC4(C)C3CCC21C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 A10 compound treatment 1.076 0.198 2.05 1.07 0.207 2.21 3.0112 0.9993 1391256 TimTec1_004234 O=C(COc1cccc(OCC(=O)Nc2ccccn2)c1)Nc3ccccn3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 A11 compound treatment 0.913 0.0351 0.36 0.922 0.0586 0.63 0.6994 0.9665 3085079 TimTec1_004235 CN(CP(=O)(O)CN1CCCC1=O)C(=O)C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 A12 compound treatment 0.822 -0.0559 -0.58 0.859 -0.00441 -0.05 -0.4429 -0.762 1155490 TimTec1_004236 OC(=O)CN(CC(=O)O)c1ccc(Cl)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 A13 compound treatment 0.81 -0.0679 -0.7 0.852 -0.0114 -0.12 -0.5837 -0.8174 3085081 TimTec1_004237 O/N=C/C(=O)Nc1ccccc1C(=O)O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 A14 compound treatment 1.261 0.383 3.97 1.282 0.419 4.47 5.9675 0.9982 1152383 TimTec1_004238 COc1ccc(NC(=O)C2C3C2C4CCC3C4)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 A15 compound treatment 0.986 0.108 1.12 1.016 0.153 1.63 1.9441 0.9832 1199333 TimTec1_004239 O=C(NCc1ccccc1)C2CC2(c3ccccc3)c4ccccc4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 A16 compound treatment 0.29 -0.588 -6.09 0.179 -0.684 -7.31 -9.4759 -0.9959 3212227 TimTec1_004240 Cc1ccc(cc1)C(=O)CC(C(C#N)C#N)c2ccccc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 A17 compound treatment 0.966 0.0881 0.91 0.99 0.127 1.35 1.6012 0.9816 3085083 TimTec1_004241 O=c1[nH][nH]c(=O)c2c(/N=C/c3cccc4ccccc34)cccc12 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 A18 compound treatment 1.195 0.317 3.28 1.192 0.329 3.51 4.8043 0.9994 3212228 TimTec1_004242 COc1ccc(OC)c(NC(=O)C2C3CC/C=C/CC\C=C/CCC23)c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 A19 compound treatment 1.038 0.16 1.66 1.031 0.168 1.79 2.4383 0.9993 3085086 TimTec1_004243 Brc1ccccc1NC(=O)CSc2nc3ccccc3[nH]2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 A20 compound treatment 0.085 -0.793 -8.21 0.079 -0.784 -8.38 -11.7327 -0.9999 3212229 TimTec1_004244 COc1ccc(cc1)N2C(=O)C(=CC2(OC)c3ccccc3)O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 A21 compound treatment 0.11 -0.768 -7.95 0.117 -0.746 -7.97 -11.2625 -1.0 3085088 TimTec1_004245 CN(C)/N=C/c1ccc(OC(=O)c2ccc(Br)cc2)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 A22 compound treatment 1.127 0.249 2.58 1.154 0.291 3.1 4.0192 0.9958 3212230 TimTec1_004246 O=C(CSc1ccccn1)N2CCCc3ccccc23 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 A23 mock treatment 0.865 -0.0129 -0.13 0.859 -0.00441 -0.05 -0.128 -0.9015 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 A24 mock treatment 0.853 -0.0249 -0.26 0.873 0.00959 0.1 -0.1102 -0.3964 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 B01 compound treatment 0.918 0.0401 0.41 0.908 0.0446 0.48 0.6303 0.9976 1674437 TimTec1_004247 CCN1N=C(C)C=C(C)n2c1nc3ccccc23 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 B02 compound treatment 1.049 0.171 1.77 1.01 0.147 1.57 2.3602 0.9981 1696382 TimTec1_004248 Cc1ccc(NC(=O)C2C3CCCCC=CC23)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 B03 compound treatment 1.17 0.292 3.02 1.198 0.335 3.57 4.6665 0.9965 3212231 TimTec1_004249 CCC1SC(=NC1=O)Nc2ccc(C)cc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 B04 compound treatment 0.988 0.11 1.14 1.002 0.139 1.48 1.853 0.9917 1427335 TimTec1_004250 C=CCN(CC=C)S(=O)(=O)c1ncn[nH]1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 B05 compound treatment 1.119 0.241 2.5 1.109 0.246 2.62 3.6207 0.9997 3085092 TimTec1_004251 Nc1cc(ccc1OCc2ccccc2)C(F)(F)F 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 B06 compound treatment 0.215 -0.663 -6.87 0.202 -0.661 -7.07 -9.8515 -0.9999 3212232 TimTec1_004252 CN(C)c1c(C(=C(C#N)C#N)C#N)c2ccccc2n1C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 B07 compound treatment 0.156 -0.722 -7.48 0.158 -0.705 -7.54 -10.6159 -1.0 3085094 TimTec1_004253 OC(=O)c1ccc(CSc2ccccn2)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 B08 compound treatment 1.014 0.136 1.41 1.037 0.174 1.85 2.3078 0.9908 1347619 TimTec1_004254 CCC1NC(=S)NC(=C1C(=O)c2ccccc2)C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 B09 compound treatment 1.08 0.202 2.09 1.13 0.267 2.85 3.4937 0.9885 3085159 TimTec1_004255 CCOc1ccc(cc1NC(=O)C)C(F)(F)F 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 B10 compound treatment 0.971 0.0931 0.96 0.994 0.131 1.4 1.6681 0.9837 1518737 TimTec1_004256 CCC(=O)N1N=C2CC(C)(C)OCC2C1c3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 B11 compound treatment 0.901 0.0231 0.24 0.938 0.0746 0.8 0.7324 0.8804 1335526 TimTec1_004257 CCOC(=O)c1nnn(c1CN2CCSCC2)c3nonc3N 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 B12 compound treatment 1.197 0.319 3.3 1.19 0.327 3.49 4.8038 0.9996 1291333 TimTec1_004258 CC1(C)NN(C(=S)N1)c2nc3ccccc3s2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 B13 compound treatment 0.979 0.101 1.05 0.977 0.114 1.21 1.5982 0.9973 1385793 TimTec1_004259 Cc1nn(c(O)c1C2CC(=O)N(C2=O)c3ccccc3)c4cccc(Cl)c4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 B14 compound treatment 0.714 -0.164 -1.7 0.811 -0.0524 -0.56 -1.5965 -0.893 1213104 TimTec1_004260 CC(CC(=O)C1C(C)C=CCC1(C)C)Nc2ccccc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 B15 compound treatment 0.745 -0.133 -1.38 0.743 -0.12 -1.29 -1.8831 -0.9994 3212233 TimTec1_004261 CN/C(=N\C)/SC1CC(=O)N(C1=O)c2ccccc2F 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 B16 compound treatment 1.201 0.323 3.35 1.22 0.357 3.81 5.0597 0.9979 1345990 TimTec1_004262 CCC(=O)Nc1ccccc1C(=O)OCC(=O)Nc2nc3ccc(cc3s2)C(=O)OC 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 B17 compound treatment 1.0 0.122 1.26 0.99 0.127 1.35 1.8502 0.9994 1326177 TimTec1_004263 COc1cccc2c(CCN)c[nH]c12 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 B18 compound treatment 0.276 -0.602 -6.23 0.261 -0.602 -6.44 -8.959 -0.9999 3085165 TimTec1_004264 CCC1=C(C)/C(=C\c2[nH]c(C)c(CC)c2C)/N=C1C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 B19 compound treatment 1.193 0.315 3.26 1.177 0.314 3.35 4.6763 0.9999 3212234 TimTec1_004265 CCOc1cc(/C=C/2\OC(=O)c3c2cc(C)[nH]c3=S)ccc1O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 B20 compound treatment 1.102 0.224 2.32 1.114 0.251 2.68 3.534 0.9975 1379087 TimTec1_004266 Cc1ccc(OCc2nn(CN3CCC4(CC3)OCCO4)c(=S)n2C)cc1C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 B21 compound treatment 0.903 0.0251 0.26 0.941 0.0776 0.83 0.7697 0.8861 1413553 TimTec1_004267 CCC(Sc1nnc(C)c(=O)[nH]1)C(=O)Nc2ccccc2C#N 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 B22 compound treatment 0.241 -0.637 -6.6 0.214 -0.649 -6.94 -9.5704 -0.9997 3212308 TimTec1_004268 COc1ccc(Br)cc1S(=O)(=O)NCCCN2CCOCC2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 B23 mock treatment 0.917 0.0391 0.4 0.87 0.00659 0.07 0.3359 0.8179 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 B24 mock treatment 0.828 -0.0499 -0.52 0.975 0.112 1.19 0.4773 0.3673 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 C01 compound treatment 0.952 0.0741 0.77 0.916 0.0526 0.56 0.9397 0.9883 1539639 TimTec1_004269 COc1ccc(cc1)C(N)CC(=O)O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 C02 compound treatment 1.198 0.32 3.31 1.107 0.244 2.6 4.1842 0.9928 1192605 TimTec1_004270 O=C(NCCc1ccccc1)c2ccc(o2)C(=O)c3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 C03 compound treatment 0.05 -0.828 -8.57 0.05 -0.813 -8.69 -12.2081 -1.0 3085169 TimTec1_004271 NC/1=C(C#N)C(=N)S\C1=C\c2ccc(Cl)c(Cl)c2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 C04 compound treatment 1.001 0.123 1.27 0.971 0.108 1.15 1.714 0.9987 3212309 TimTec1_004272 CCCCC(CC)CNC1=NS(=O)(=O)c2ccccc12 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 C05 compound treatment 1.066 0.188 1.95 1.044 0.181 1.93 2.7415 1.0 1436367 TimTec1_004273 CSc1nc2nc(N)nc(N)c2s1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 C06 compound treatment 0.047 -0.831 -8.61 0.05 -0.813 -8.69 -12.2301 -1.0 3212310 TimTec1_004274 COc1ccc(Cc2nnc(S)s2)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 C07 compound treatment 0.774 -0.104 -1.08 0.712 -0.151 -1.62 -1.9049 -0.9804 3085173 TimTec1_004275 OC(=O)CSC1=CC(=O)N(C1=O)c2cccc(Cl)c2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 C08 compound treatment 1.021 0.143 1.48 1.017 0.154 1.64 2.208 0.9987 1438726 TimTec1_004276 Cc1ccnc(c1)N2C(=O)OC(C)(C)C2(C)O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 C09 compound treatment 0.915 0.0371 0.38 0.952 0.0886 0.95 0.9407 0.921 1517107 TimTec1_004277 CC(=O)N1CCN2C(=O)C1CCCC(=O)c3cc(ccc23)C4CCCCC4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 C10 compound treatment 1.033 0.155 1.61 0.996 0.133 1.42 2.1372 0.998 1430711 TimTec1_004278 COC(=O)c1cccc(NC(=O)COC(=O)c2cc3ccccc3o2)c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 C11 compound treatment 0.879 0.00106 0.01 0.889 0.0256 0.27 0.2011 0.735 1141099 TimTec1_004279 OC(=O)CCS(=O)(=O)c1ccc2ccccc2c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 C12 compound treatment 0.929 0.0511 0.53 0.882 0.0186 0.2 0.5144 0.9106 3085175 TimTec1_004280 Cc1cccc(c1)n2nn[nH]c2=S 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 C13 compound treatment 0.07 -0.808 -8.37 0.072 -0.791 -8.45 -11.8954 -1.0 3212311 TimTec1_004281 Brc1ccc(/C=C/2\C(=O)NN(C2=O)c3ccccc3)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 C14 compound treatment 0.917 0.0391 0.4 0.931 0.0676 0.72 0.7967 0.9625 1600116 TimTec1_004282 NS(=O)(=O)c1ncn(Cc2ccccc2)n1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 C15 compound treatment 0.857 -0.0209 -0.22 0.88 0.0166 0.18 -0.028 -0.0999 1916017 TimTec1_004283 Nc1ccc(cc1)c2cnc(nc2)c3ccc(N)cc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 C16 compound treatment 1.478 0.6 6.21 1.487 0.624 6.66 9.1053 0.9994 1129774 TimTec1_004284 CCOC(=O)c1oc2ccccc2c1NC(=O)C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 C17 compound treatment 0.839 -0.0389 -0.4 0.836 -0.0274 -0.29 -0.4922 -0.9876 1248984 TimTec1_004285 COc1ccc(NC(=O)c2ccc3ccccc3c2OC)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 C18 compound treatment 1.241 0.363 3.76 1.185 0.322 3.44 5.0883 0.999 3085247 TimTec1_004286 CC(NC(=O)Nc1ccccc1Br)(C(F)(F)F)C(F)(F)F 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 C19 compound treatment 0.931 0.0531 0.55 0.88 0.0166 0.18 0.514 0.89 1510374 TimTec1_004287 COc1ccc(NC(=O)C2CCC(=O)N2C(=O)OCc3ccccc3)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 C20 compound treatment 0.804 -0.0739 -0.77 0.779 -0.0844 -0.9 -1.1791 -0.9967 3085249 TimTec1_004288 CC1(C)Cc2ccccc2C(=N1)N3CCOCC3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 C21 compound treatment 1.011 0.133 1.38 1.037 0.174 1.85 2.2859 0.9893 1404871 TimTec1_004289 O=C(N1CCSC1c2ccccc2)c3cc4ccccc4oc3=O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 C22 compound treatment 0.968 0.0901 0.93 0.96 0.0966 1.03 1.3893 0.9987 1143185 TimTec1_004290 CC(C)(C)C(=O)N1CCCC1C(=O)Nc2ccccc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 C23 mock treatment 0.852 -0.0259 -0.27 0.935 0.0716 0.76 0.3509 0.4328 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 C24 mock treatment 0.958 0.0801 0.83 0.905 0.0416 0.44 0.9005 0.9572 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 D01 compound treatment 0.993 0.115 1.19 1.002 0.139 1.48 1.8896 0.9942 3212312 TimTec1_004291 CCC(SC1=NC(=O)C(C(=O)N1)c2ccccc2)C(=O)Nc3sc4CCCCc4c3C#N 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 D02 compound treatment 1.082 0.204 2.11 1.049 0.186 1.98 2.8965 0.9995 1681507 TimTec1_004292 S=C(SCc1ccc(CSC(=S)N2CCOCC2)cc1)N3CCOCC3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 D03 compound treatment 0.959 0.0811 0.84 0.949 0.0856 0.91 1.2403 0.9991 1369855 TimTec1_004293 CCC(=O)N1CCC(CC1)C(=O)O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 D04 compound treatment 1.012 0.134 1.39 1.014 0.151 1.61 2.1194 0.9973 1327254 TimTec1_004294 O=C1C(C(=O)c2ccccc12)C3=Nc4ccccc4NC(C3)c5ccccc5 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 D05 compound treatment 0.898 0.0201 0.21 0.852 -0.0114 -0.12 0.0608 0.2523 1670837 TimTec1_004295 OC(C#CCN1CCCC1)c2ccccc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 D06 compound treatment 0.129 -0.749 -7.76 0.12 -0.743 -7.94 -11.1007 -0.9999 3085254 TimTec1_004296 Nc1ccc2nc(SCC(=O)c3ccc(F)cc3)sc2c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 D07 compound treatment 0.948 0.0701 0.73 0.952 0.0886 0.95 1.1824 0.9914 1149209 TimTec1_004297 Cn1ccnc1SCC(=O)Nc2ccccc2Oc3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 D08 compound treatment 0.754 -0.124 -1.28 0.778 -0.0854 -0.91 -1.5528 -0.986 1583796 TimTec1_004298 OC(=O)c1ccc(cc1)c2cnc3ccccc3n2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 D09 compound treatment 0.894 0.0161 0.17 0.918 0.0546 0.58 0.53 0.8739 1479857 TimTec1_004299 Nc1ccc(OCC(=O)N2CCOCC2)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 D10 compound treatment 0.818 -0.0599 -0.62 0.858 -0.00541 -0.06 -0.4798 -0.7696 1457410 TimTec1_004300 C(Nc1ccc2oc(nc2c1)c3ccccc3)c4cccnc4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 D11 compound treatment 0.818 -0.0599 -0.62 0.86 -0.00341 -0.04 -0.4647 -0.7473 3085258 TimTec1_004301 CC(=O)OC1(CN2CCC1CC2)C#N 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 D12 compound treatment 0.949 0.0711 0.74 0.943 0.0796 0.85 1.1217 0.9974 1325596 TimTec1_004302 CC(=O)N1C(O)C(O)N(C(=O)C)C1=O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 D13 compound treatment 0.861 -0.0169 -0.18 0.829 -0.0344 -0.37 -0.384 -0.9427 3085259 TimTec1_004303 CNC(=N)NC(=O)Nc1c(C)cccc1C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 D14 compound treatment 0.97 0.0921 0.95 0.946 0.0826 0.88 1.2982 0.9993 1635468 TimTec1_004304 COc1ccc2n(c(C)c(C(=O)N3CCN(C)CC3)c2c1)c4ccccc4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 D15 compound treatment 0.868 -0.00994 -0.1 0.837 -0.0264 -0.28 -0.2723 -0.9066 1665310 TimTec1_004305 CC1(C)CC(=O)CC(=C1)NCC2CCCO2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 D16 compound treatment 1.065 0.187 1.94 1.066 0.203 2.16 2.9004 0.9985 1262068 TimTec1_004306 Cc1cc(=O)oc2c3c(OC(=O)c4ccccc4)coc3c(NC(=O)c5ccccc5)cc12 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 D17 compound treatment 1.057 0.179 1.85 1.094 0.231 2.46 3.0533 0.9902 1639736 TimTec1_004307 CC(C)OC(=O)C1C(C2CC1C=C2)C(=O)NCC=C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 D18 compound treatment 0.886 0.00806 0.08 0.91 0.0466 0.5 0.411 0.8143 3212313 TimTec1_004308 O=C(CSc1nnc[nH]1)C2CC2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 D19 compound treatment 1.011 0.133 1.38 1.043 0.18 1.92 2.3312 0.9868 1018938 TimTec1_004309 O=C(N1CCN(CC1)C(=O)c2ccccc2)c3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 D20 compound treatment 0.94 0.0621 0.64 0.963 0.0996 1.06 1.2069 0.9709 1028190 TimTec1_004310 COc1ccc(CC(O)CN2CCOCC2)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 D21 compound treatment 0.927 0.0491 0.51 0.912 0.0486 0.52 0.7264 0.9999 1610412 TimTec1_004311 CC(C)(C)OC(=O)N1CC(O)CC1C(=O)N2CCOCC2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 D22 compound treatment 0.933 0.0551 0.57 0.932 0.0686 0.73 0.9214 0.9923 1636298 TimTec1_004312 Cn1ccnc1SCC(=O)N2c3ccccc3CCc4ccccc24 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 D23 mock treatment 0.894 0.0161 0.17 0.891 0.0276 0.29 0.3261 0.9633 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 D24 mock treatment 0.941 0.0631 0.65 0.932 0.0686 0.73 0.98 0.9984 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 E01 compound treatment 1.018 0.14 1.45 0.969 0.106 1.13 1.8234 0.9923 3212314 TimTec1_004313 CC(=O)NCC(c1ccccc1)c2ccccc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 E02 compound treatment 0.977 0.0991 1.03 0.957 0.0936 1.0 1.4325 0.9999 1202468 TimTec1_004314 O=C(NCN1CCN(Cc2ccccc2)CC1)c3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 E03 compound treatment 0.368 -0.51 -5.28 0.351 -0.512 -5.47 -7.6054 -0.9998 3085337 TimTec1_004315 COc1ccc(/N=C/c2ccc(Sc3ccccn3)o2)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 E04 compound treatment 0.978 0.1 1.04 0.946 0.0826 0.88 1.3567 0.9968 1420647 TimTec1_004316 O=C(COC(=O)c1ccco1)N2c3ccccc3Sc4ccccc24 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 E05 compound treatment 0.954 0.0761 0.79 0.943 0.0796 0.85 1.1583 0.9993 1547103 TimTec1_004317 CC(N1C(=O)CCC1=O)C(=O)Oc2ccc3c(C)cc(=O)oc3c2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 E06 compound treatment 0.924 0.0461 0.48 0.873 0.00959 0.1 0.4098 0.8399 1714581 TimTec1_004318 Cc1ccc(CCP(=O)(O)CN2CCCCC2)cn1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 E07 compound treatment 1.207 0.329 3.41 1.246 0.383 4.09 5.3001 0.9959 3085340 TimTec1_004319 Cc1ccc(NC(=O)CC2CCC2)cc1C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 E08 compound treatment 1.138 0.26 2.69 1.124 0.261 2.78 3.8732 0.9999 3212315 TimTec1_004320 Cc1cc(C)nc(n1)N2C(=C)C(C)(C)OC2=O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 E09 compound treatment 0.913 0.0351 0.36 0.925 0.0616 0.66 0.7221 0.9607 3085343 TimTec1_004321 Cc1sc(/N=C/c2ccc(Cl)c(Cl)c2)c(C#N)c1C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 E10 compound treatment 0.05 -0.828 -8.57 0.049 -0.814 -8.7 -12.2156 -1.0 1671390 TimTec1_004322 Ic1ccc(Nc2nc3nonc3n4nnnc24)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 E11 compound treatment 0.882 0.00406 0.04 0.845 -0.0184 -0.2 -0.1093 -0.5435 1687107 TimTec1_004323 CN1CCC(O)(CC1)c2ccccc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 E12 compound treatment 1.104 0.226 2.34 1.122 0.259 2.76 3.6091 0.9966 1215551 TimTec1_004324 COC(=O)C1=C(N)N(C2=C(C1c3ccc(OC)cc3)C(=O)CCC2)c4ccc(cc4)S(=O)(=O)N 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 E13 compound treatment 0.682 -0.196 -2.03 0.701 -0.162 -1.74 -2.6618 -0.997 1516816 TimTec1_004325 Clc1cccc(OCCN2CCN(CC2)c3ccccc3)c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 E14 compound treatment 1.071 0.193 2.0 1.108 0.245 2.61 3.2616 0.9913 3212316 TimTec1_004326 O=C(CCCc1ccccc1)NC2CC2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 E15 compound treatment 0.888 0.0101 0.1 0.915 0.0516 0.55 0.4634 0.8262 1919871 TimTec1_004327 CCS(=O)(=O)C(=C1Nc2ccccc2N1)S(=O)(=O)CC 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 E16 compound treatment 0.98 0.102 1.06 0.988 0.125 1.33 1.6887 0.9935 1212477 TimTec1_004328 CCOC(=O)C1=C(C)OC(=C(C#N)C21C(=O)Nc3ccc(C)cc32)N 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 E17 compound treatment 0.946 0.0681 0.7 0.916 0.0526 0.56 0.8958 0.9937 3212317 TimTec1_004329 Nc1ccnc(c1C(=O)c2ccccc2)C(F)(F)F 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 E18 compound treatment 0.873 -0.00494 -0.05 0.842 -0.0214 -0.23 -0.1979 -0.8444 1147665 TimTec1_004330 Fc1ccccc1C(=O)Nc2ccc3nc(SCC(=O)NC4CC4)sc3c2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 E19 compound treatment 1.275 0.397 4.11 1.264 0.401 4.28 5.9341 0.9998 1323101 TimTec1_004331 COC(=O)c1c(CC=C(C)C)c(C)nc2ccccc12 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 E20 compound treatment 0.897 0.0191 0.2 0.858 -0.00541 -0.06 0.0988 0.4801 3212392 TimTec1_004332 CC1CN=C(S1)N(Cc2ccccc2Cl)C(=O)Nc3cccc(Cl)c3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 E21 compound treatment 1.021 0.143 1.48 0.998 0.135 1.44 2.0645 0.9999 3085349 TimTec1_004333 S=c1[nH]nc(Cc2ccccc2)[nH]1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 E22 compound treatment 1.091 0.213 2.21 1.079 0.216 2.3 3.189 0.9998 1488335 TimTec1_004334 O=C(CSc1ncnc2[nH]cnc12)c3ccc4ccccc4c3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 E23 mock treatment 0.905 0.0271 0.28 0.915 0.0516 0.55 0.5879 0.9508 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 E24 mock treatment 0.957 0.0791 0.82 0.914 0.0506 0.54 0.9612 0.9797 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 F01 compound treatment 0.908 0.0301 0.31 0.882 0.0186 0.2 0.3606 0.9764 3085351 TimTec1_004335 Cc1ccnc(NC(=O)c2cccs2)c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 F02 compound treatment 0.227 -0.651 -6.74 0.194 -0.669 -7.15 -9.824 -0.9996 3085353 TimTec1_004336 CSc1ncc(F)c(n1)N(C)C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 F03 compound treatment 1.27 0.392 4.06 1.243 0.38 4.06 5.7388 1.0 3212393 TimTec1_004337 CCC(Sc1ccccn1)C(=O)Nc2cccc3ccccc23 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 F04 compound treatment 0.937 0.0591 0.61 0.964 0.101 1.07 1.1925 0.9643 3084406 TimTec1_004338 Nc1ccc(OCCOc2ccc(N)cc2)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 F05 compound treatment 0.979 0.101 1.05 0.953 0.0896 0.96 1.4169 0.999 1262298 TimTec1_004339 Fc1ccc(CNC(=O)C2CN(C(=O)C2)c3ccc(F)cc3)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 F06 compound treatment 1.006 0.128 1.33 0.98 0.117 1.25 1.8186 0.9995 3212394 TimTec1_004340 CN(CC(COc1ccccc1)OC(=O)c2ccc(Cl)cc2)C3=NS(=O)(=O)c4ccccc34 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 F07 compound treatment 0.923 0.0451 0.47 0.888 0.0246 0.26 0.5158 0.9631 1118159 TimTec1_004341 Cc1ccc(OCCN)c(Br)c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 F08 compound treatment 1.116 0.238 2.47 1.124 0.261 2.78 3.712 0.9982 1694465 TimTec1_004342 COc1ccc(cc1)c2nn(CO)c(=S)n2c3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 F09 compound treatment 0.876 -0.00194 -0.02 0.908 0.0446 0.48 0.3227 0.6767 3084411 TimTec1_004343 O=S1(=O)N=C(N2CCNCC2)c3ccccc31 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 F10 compound treatment 1.171 0.293 3.04 1.174 0.311 3.32 4.4925 0.999 1406499 TimTec1_004344 Cc1cc(C)c(COC(=O)c2nonc2N)c(C)c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 F11 compound treatment 0.931 0.0531 0.55 0.947 0.0836 0.89 1.0201 0.9728 1497656 TimTec1_004345 CC1(C)CC(=O)C(C(O)c2ccccc2)C(C)(C)N1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 F12 compound treatment 1.013 0.135 1.4 1.011 0.148 1.58 2.1041 0.9982 3084413 TimTec1_004346 O=C(CSc1nnc(o1)c2ccccc2)c3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 F13 compound treatment 0.668 -0.21 -2.17 0.658 -0.205 -2.19 -3.0892 -1.0 1560213 TimTec1_004347 Clc1cccc(NC(=O)NC2CCN(C2)C3CCCCC3)c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 F14 compound treatment 1.25 0.372 3.85 1.27 0.407 4.34 5.7963 0.9982 3084415 TimTec1_004348 Cc1cn(C(=O)c2ccc(Cl)cc2Cl)c(C)n1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 F15 compound treatment 1.051 0.173 1.79 1.039 0.176 1.88 2.5939 0.9997 1406332 TimTec1_004349 O=C(CSc1nc2ccc(NC(=O)C3CCCCC3)cc2s1)NCC4CCCO4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 F16 compound treatment 1.15 0.272 2.82 1.125 0.262 2.79 3.9686 1.0 3212395 TimTec1_004350 O=C1C2C(C3=C(CCCC3=O)N=C2c4ccccc14)c5cccs5 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 F17 compound treatment 0.955 0.0771 0.8 0.937 0.0736 0.79 1.1203 1.0 1570773 TimTec1_004351 CC(C)(C)Nc1nc(NC(C)(C)C)nc(n1)N2CCNCC2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 F18 compound treatment 0.296 -0.582 -6.03 0.356 -0.507 -5.42 -8.0949 -0.9986 1621338 TimTec1_004352 O=C(CSc1nc2ccccc2[nH]1)C3CC3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 F19 compound treatment 0.915 0.0371 0.38 0.919 0.0556 0.59 0.6914 0.9777 1630047 TimTec1_004353 O=S1(=O)CCC(C1)N2CCOCC2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 F20 compound treatment 0.624 -0.254 -2.63 0.634 -0.229 -2.45 -3.5927 -0.9994 1536902 TimTec1_004354 Cc1ccc(cc1)C(=O)C2C(=O)OC(=CC2=O)c3ccc(C)cc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 F21 compound treatment 0.794 -0.0839 -0.87 0.817 -0.0464 -0.5 -0.9653 -0.9645 1248516 TimTec1_004355 Nc1nnc(SCC(=O)N2CCCCC2)s1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 F22 compound treatment 0.043 -0.835 -8.65 0.044 -0.819 -8.75 -12.3047 -1.0 3084420 TimTec1_004356 O=c1/c(=C\c2ccncc2)/sc3nc4ccccc4n13 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 F23 mock treatment 0.907 0.0291 0.3 0.882 0.0186 0.2 0.3533 0.9797 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 F24 mock treatment 0.911 0.0331 0.34 0.911 0.0476 0.51 0.6017 0.9815 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 G01 compound treatment 0.93 0.0521 0.54 0.928 0.0646 0.69 0.8692 0.9926 1052156 TimTec1_004357 O=S(=O)(Nc1ccccn1)c2ccccc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 G02 compound treatment 0.851 -0.0269 -0.28 0.765 -0.0984 -1.05 -0.9407 -0.8648 1455699 TimTec1_004358 CC1(C)CC(CC(C)(C)N1)NC(=O)c2ccc(o2)C(=O)c3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 G03 compound treatment 0.991 0.113 1.17 0.936 0.0726 0.78 1.3764 0.98 3084422 TimTec1_004359 CCc1ccc2oc(nc2c1)c3cc(/N=C\c4ccccc4O)ccc3O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 G04 compound treatment 1.096 0.218 2.26 1.07 0.207 2.21 3.1576 0.9999 3212396 TimTec1_004360 CSc1nsc(SC)c1NC(=O)Nc2ccccn2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 G05 compound treatment 0.137 -0.741 -7.67 0.142 -0.721 -7.71 -10.8759 -1.0 3084424 TimTec1_004361 O=C(CCCCN1CCCCC1)c2ccccc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 G06 compound treatment 0.911 0.0331 0.34 0.919 0.0556 0.59 0.6621 0.9658 3212397 TimTec1_004362 FC(F)(F)C(NC(=O)c1ccccc1)(N2CCOCC2)C(F)(F)F 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 G07 compound treatment 1.367 0.489 5.07 1.36 0.497 5.31 7.333 0.9997 1644204 TimTec1_004363 CC(C)Nc1nc(Cl)nc(NC(C)(C)CO)n1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 G08 compound treatment 0.993 0.115 1.19 0.965 0.102 1.09 1.6101 0.9989 1320611 TimTec1_004364 O=C(Nc1ccccn1)c2cccc(c2)N3C(=O)CCC3=O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 G09 compound treatment 0.494 -0.384 -3.98 0.386 -0.477 -5.1 -6.4182 -0.9924 1019380 TimTec1_004365 C(N1CCCCC1)c2c[nH]c3ccccc23 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 G10 compound treatment 1.144 0.266 2.76 1.15 0.287 3.06 4.1135 0.9986 1557179 TimTec1_004366 OC(=O)CCn1c2ccccc2c3ccccc13 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 G11 compound treatment 0.91 0.0321 0.33 0.895 0.0316 0.34 0.4735 1.0 1693338 TimTec1_004367 COc1ccc(cc1)c2ncccc2O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 G12 compound treatment 0.928 0.0501 0.52 0.95 0.0866 0.93 1.0208 0.9625 1612647 TimTec1_004368 NNC(=O)c1ccc(OCC(O)CO)cc1O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 G13 compound treatment 0.93 0.0521 0.54 0.903 0.0396 0.42 0.6804 0.9928 1723169 TimTec1_004369 CCN(CC)c1ccc(Nc2cc(C)c(C#N)c3nc4ccccc4n23)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 G14 compound treatment 1.154 0.276 2.86 1.169 0.306 3.26 4.3303 0.9978 3084439 TimTec1_004370 N/C(=N\O)/c1cccc(n1)\C(=N\O)\N 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 G15 compound treatment 0.871 -0.00694 -0.07 0.87 0.00659 0.07 -0.001 -0.0099 3212398 TimTec1_004371 Cn1c2N(CC(=O)c2c(=O)n(C)c1=O)c3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 G16 compound treatment 0.627 -0.251 -2.6 0.615 -0.248 -2.65 -3.7143 -0.9999 3084441 TimTec1_004372 C(Sc1nnc(SCc2ccccn2)s1)c3ccccn3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 G17 compound treatment 1.04 0.162 1.68 1.046 0.183 1.95 2.5662 0.9972 3212399 TimTec1_004373 Fc1ccc(cc1)c2cc(nc(SCC(=O)Oc3ccccc3)c2C#N)c4ccco4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 G18 compound treatment 1.077 0.199 2.06 1.058 0.195 2.08 2.9278 1.0 1717375 TimTec1_004374 O=C(CCSc1nccn1Cc2ccccc2)NC3CCCCC3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 G19 compound treatment 1.179 0.301 3.12 1.164 0.301 3.21 4.4756 0.9999 3084443 TimTec1_004375 Cc1cc(C)nc(SCC(=O)c2c(N)no[n+]2[O-])n1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 G20 compound treatment 1.073 0.195 2.02 1.049 0.186 1.98 2.8306 1.0 3212400 TimTec1_004376 CC1CN=C(S1)N(C(=O)Nc2ccc(Cl)cc2)c3cccc(C)n3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 G21 compound treatment 0.887 0.00906 0.09 0.901 0.0376 0.4 0.3504 0.8495 3084445 TimTec1_004377 CC(C)C(=O)NC1=NC2C(N=CN2C3CC(O)C(CO)O3)C(=N1)O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 G22 compound treatment 1.122 0.244 2.53 1.135 0.272 2.9 3.8391 0.9976 3212401 TimTec1_004378 O=C1CN(C=NN1)c2ccccc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 G23 mock treatment 0.888 0.0101 0.1 0.852 -0.0114 -0.12 -0.0125 -0.0778 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 G24 mock treatment 0.93 0.0521 0.54 0.906 0.0426 0.46 0.703 0.9964 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 H01 compound treatment 0.858 -0.0199 -0.21 0.852 -0.0114 -0.12 -0.2322 -0.9683 1333222 TimTec1_004379 COc1ccccc1NCn2c(=O)sc3ccccc23 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 H02 compound treatment 0.899 0.0211 0.22 0.8 -0.0634 -0.68 -0.3247 -0.4563 1378323 TimTec1_004380 CSc1ncc(F)c(n1)N(CCO)CCO 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 H03 compound treatment 0.94 0.0621 0.64 0.932 0.0686 0.73 0.9727 0.9979 1426454 TimTec1_004381 O=C(CNC(=O)C(c1ccccc1)c2ccccc2)NC3CCCCC3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 H04 compound treatment 0.834 -0.0439 -0.46 0.803 -0.0604 -0.65 -0.7781 -0.9854 3084448 TimTec1_004382 Cc1ccc(cc1)P(=O)(C)c2ccc(C)cc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 H05 compound treatment 1.01 0.132 1.37 1.001 0.138 1.47 2.0066 0.9994 1325975 TimTec1_004383 O=c1n(CCc2ccccn2)nc(c3ccccc3)c4ccccc14 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 H06 compound treatment 0.948 0.0701 0.73 0.956 0.0926 0.99 1.2126 0.9884 1363120 TimTec1_004384 OC(COc1ccccc1)CS(=O)(=O)c2ccccn2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 H07 compound treatment 1.217 0.339 3.51 1.227 0.364 3.88 5.2298 0.9987 1512838 TimTec1_004385 CSCCC1NC(=S)N(Cc2ccccc2)C1=O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 H08 compound treatment 0.987 0.109 1.13 0.984 0.121 1.29 1.7097 0.9979 1461248 TimTec1_004386 Fc1ccc(cc1)C(=O)Nc2ccc3C(=O)OCc3c2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 H09 compound treatment 0.709 -0.169 -1.75 0.711 -0.152 -1.63 -2.3885 -0.9994 1264638 TimTec1_004387 Oc1ccc2occ(C(=O)c3cccs3)c2c1CN4CCOCC4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 H10 compound treatment 0.861 -0.0169 -0.18 0.926 0.0626 0.67 0.3488 0.5045 1248397 TimTec1_004388 CCSc1nc2ccccc2n1CC(=O)N3CCCCC3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 H11 compound treatment 0.825 -0.0529 -0.55 0.781 -0.0824 -0.88 -1.0102 -0.974 3084452 TimTec1_004389 O=C(OC[C@@H]1CCCN2CCCCC12)c3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 H12 compound treatment 0.71 -0.168 -1.74 0.699 -0.164 -1.76 -2.4719 -1.0 3212402 TimTec1_004390 CCOC(=O)c1[nH]c(COC(=O)C)cc1C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 H13 compound treatment 1.068 0.19 1.97 1.062 0.199 2.12 2.8922 0.9993 1294077 TimTec1_004391 COc1ccc(cc1)C(=O)c2coc3ccc(OC)cc3c2=O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 H14 compound treatment 0.954 0.0761 0.79 0.964 0.101 1.07 1.317 0.9883 1370478 TimTec1_004392 Fc1cc2c(=O)cc[nH]c2cc1N3CCOCC3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 H15 compound treatment 0.917 0.0391 0.4 0.889 0.0256 0.27 0.4794 0.9818 1351428 TimTec1_004393 Cc1ccc(cc1)S(=O)(=O)N2CC(=O)N(O)C2c3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 H16 compound treatment 0.07 -0.808 -8.37 0.061 -0.802 -8.57 -11.9785 -0.9999 3084456 TimTec1_004394 FC(F)(F)c1ccc2sc(S)nc2c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 H17 compound treatment 0.958 0.0801 0.83 0.953 0.0896 0.96 1.2632 0.9974 1715297 TimTec1_004395 N#CC(CCN1CCNCC1)(c2ccccc2)c3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 H18 compound treatment 1.028 0.15 1.55 1.069 0.206 2.2 2.6521 0.9857 1355787 TimTec1_004396 OCCN(CCO)C(=O)CCc1[nH]c2ccccc2c1Sc3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 H19 compound treatment 0.859 -0.0189 -0.2 0.85 -0.0134 -0.14 -0.24 -0.9881 3212474 TimTec1_004397 Clc1ccc(NC(=O)CSC2=NC(=O)C(C(=O)N2)c3ccccc3)nc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 H20 compound treatment 0.629 -0.249 -2.58 0.595 -0.268 -2.87 -3.8507 -0.9986 3084461 TimTec1_004398 CC1CNc2ccccc2N=C1N3CCOCC3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 H21 compound treatment 0.128 -0.75 -7.77 0.134 -0.729 -7.79 -11.0023 -1.0 3212475 TimTec1_004399 S=c1[nH]cnc2n(CN3CCCCC3)cnc12 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 H22 compound treatment 0.998 0.12 1.24 1.014 0.151 1.61 2.0169 0.9919 1451020 TimTec1_004400 OC1=C(C(=O)c2ccccc2)C3(O)N(C1=O)c4ccccc4OC3=O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 H23 mock treatment 0.905 0.0271 0.28 0.936 0.0726 0.78 0.7466 0.9053 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 H24 mock treatment 0.874 -0.00394 -0.04 0.908 0.0446 0.48 0.308 0.6442 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 I01 compound treatment 0.908 0.0301 0.31 0.862 -0.00141 -0.02 0.2095 0.6722 3084463 TimTec1_004401 C/C(=N\N)/c1nnn(c1C)c2nonc2N 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 I02 compound treatment 0.939 0.0611 0.63 0.952 0.0886 0.95 1.1164 0.9808 1525911 TimTec1_004402 OP(=O)(CCc1ccccn1)CN2CCOCC2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 I03 compound treatment 0.991 0.113 1.17 0.961 0.0976 1.04 1.5653 0.9983 1170438 TimTec1_004403 CCN(CC)S(=O)(=O)c1ccc(cc1)c2csc(Nc3cccc(OC)c3)n2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 I04 compound treatment 1.093 0.215 2.23 1.025 0.162 1.73 2.7957 0.9921 1584075 TimTec1_004404 O=C(C1C2C1C(=O)C3OCC2O3)c4cccs4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 I05 compound treatment 0.65 -0.228 -2.36 0.649 -0.214 -2.29 -3.289 -0.9999 1217640 TimTec1_004405 CN(C)Cc1cc2ccccc2[nH]1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 I06 compound treatment 0.943 0.0651 0.67 0.846 -0.0174 -0.19 0.345 0.4935 1227632 TimTec1_004406 N#CCCn1c(nc2ccccc12)C3CCCCC3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 I07 compound treatment 0.317 -0.561 -5.81 0.32 -0.543 -5.81 -8.2131 -1.0 1733675 TimTec1_004407 Cc1ccc(cc1C)N2NC(=O)CC2=O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 I08 compound treatment 1.008 0.13 1.35 1.02 0.157 1.67 2.1355 0.9942 1603161 TimTec1_004408 COC(=O)c1ccc(NC(=O)COC(=O)c2cc3ccccc3o2)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 I09 compound treatment 1.373 0.495 5.13 1.397 0.534 5.7 7.6565 0.9986 1037174 TimTec1_004409 CCOC(=O)c1cc(C(=O)OCC)c(C)nc1C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 I10 compound treatment 1.099 0.221 2.29 1.152 0.289 3.08 3.7991 0.9893 1467402 TimTec1_004410 COc1ccc(NC(=O)CSc2ccc3ccccc3n2)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 I11 compound treatment 0.937 0.0591 0.61 0.986 0.123 1.31 1.3586 0.9399 1668645 TimTec1_004411 O=C(Nc1cccc2ccccc12)OC3CCS(=O)(=O)C3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 I12 compound treatment 1.188 0.31 3.21 1.167 0.304 3.24 4.5642 1.0 3212476 TimTec1_004412 Cc1cc2/C(=C\c3ccc(Cl)c(Cl)c3)/OC(=O)c2c(=S)[nH]1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 I13 compound treatment 0.233 -0.645 -6.68 0.358 -0.505 -5.4 -8.5412 -0.9944 1917148 TimTec1_004413 O=c1[nH]c2ccc(/N=C/c3ccc(C#Cc4ccccc4)cc3)cc2o1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 I14 compound treatment 0.285 -0.593 -6.14 0.336 -0.527 -5.63 -8.3265 -0.9991 1236087 TimTec1_004414 O=C(C1CN2CCC1CC2)c3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 I15 compound treatment 0.059 -0.819 -8.48 0.062 -0.801 -8.56 -12.0515 -1.0 1912326 TimTec1_004415 CCOC(=O)C(C#N)C(=O)c1ccc(N)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 I16 compound treatment 0.792 -0.0859 -0.89 0.668 -0.195 -2.09 -2.1055 -0.9278 1609648 TimTec1_004416 CCCC(OC(=O)C)C#CCN1CCCCC1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 I17 compound treatment 0.953 0.0751 0.78 1.001 0.138 1.47 1.5891 0.9557 3084472 TimTec1_004417 COC(=O)CSc1nsc(SCC(=O)OC)c1C#N 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 I18 compound treatment 1.166 0.288 2.98 1.169 0.306 3.26 4.4182 0.999 3212477 TimTec1_004418 CCC(Sc1nc(C)cc(C)n1)C(=O)Nc2sc3CCCCc3c2C#N 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 I19 compound treatment 1.071 0.193 2.0 1.103 0.24 2.56 3.2238 0.9925 1539203 TimTec1_004419 CCC1CCCCN1C(=O)c2cc3ccccc3oc2=O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 I20 compound treatment 0.912 0.0341 0.35 0.926 0.0626 0.67 0.7223 0.9554 1728922 TimTec1_004420 Nc1nonc1C(=O)OCC(=O)N2CCOCC2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 I21 compound treatment 1.338 0.46 4.76 1.338 0.475 5.07 6.9545 0.9995 1427907 TimTec1_004421 CCOc1ccc(OCC)c(c1)C(=O)C2CCCCC2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 I22 compound treatment 0.847 -0.0309 -0.32 0.841 -0.0224 -0.24 -0.3958 -0.9897 1647970 TimTec1_004422 CCC(OC(=O)C)C#CCN1CCOCC1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 I23 mock treatment 0.87 -0.00794 -0.08 0.78 -0.0834 -0.89 -0.6882 -0.7691 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 I24 mock treatment 0.944 0.0661 0.68 0.907 0.0436 0.47 0.8131 0.9824 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 J01 compound treatment 0.989 0.111 1.15 0.987 0.124 1.32 1.747 0.9976 3084477 TimTec1_004423 Cn1nnnc1SCC(=O)NC(C)(C)C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 J02 compound treatment 0.913 0.0351 0.36 0.863 -4.06E-4 0.0 0.2537 0.6986 3084491 TimTec1_004424 Cn1c(=O)nc2n(c3cccc(c3)C(F)(F)F)c4ccccc4cc2c1=O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 J03 compound treatment 0.896 0.0181 0.19 0.854 -0.00941 -0.1 0.0612 0.2883 3084494 TimTec1_004425 Oc1ccccc1C(=O)N2N=C(CC2(O)C(F)(F)F)C(F)(F)F 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 J04 compound treatment 0.96 0.0821 0.85 0.951 0.0876 0.94 1.2627 0.9988 1706033 TimTec1_004426 OC(=O)c1cccc(NC(=O)CC(=O)c2ccccc2)c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 J05 compound treatment 1.18 0.302 3.13 1.142 0.279 2.98 4.3167 0.9997 1279425 TimTec1_004427 CCCC(=O)Nc1nnc(Cc2ccc(Cl)cc2)s1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 J06 compound treatment 0.719 -0.159 -1.65 0.685 -0.178 -1.91 -2.5117 -0.9973 1425542 TimTec1_004428 Fc1ccc(NC(=O)C2C3C2C4CCC3C4)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 J07 compound treatment 1.117 0.239 2.48 1.136 0.273 2.91 3.81 0.9967 1301943 TimTec1_004429 Cc1[nH]c(=S)c(C#N)c(C)c1CC(=O)c2ccc(Br)cc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 J08 compound treatment 0.878 6.25E-5 0.0 0.9 0.0366 0.39 0.2769 0.7083 1313319 TimTec1_004430 COc1ccc(NC(=O)CC2SCCNC2=O)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 J09 compound treatment 1.173 0.295 3.06 1.196 0.333 3.55 4.6734 0.9972 1169823 TimTec1_004431 CCN(CC)c1nc(Nc2ccccc2OC)nc(Nc3cc(C)ccc3C)n1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 J10 compound treatment 1.195 0.317 3.28 1.158 0.295 3.15 4.5474 0.9998 3084499 TimTec1_004432 Cc1ccc(cc1)n2c(SCC=C)nc3sc4CCCc4c3c2=O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 J11 compound treatment 0.871 -0.00694 -0.07 0.823 -0.0404 -0.43 -0.356 -0.8136 1249197 TimTec1_004433 CCOC(=O)N1CCc2[nH]c3ccccc3c2C1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 J12 compound treatment 0.171 -0.707 -7.32 0.174 -0.689 -7.37 -10.3852 -1.0 1223335 TimTec1_004434 COc1ccc(Cl)cc1NC(=O)CCN2CCN(CC2)c3ccccc3C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 J13 compound treatment 0.899 0.0211 0.22 0.904 0.0406 0.43 0.4609 0.9494 1680037 TimTec1_004435 O=c1cc(Nc2ccc(cc2)N3CCCCC3)[nH]c(=O)[nH]1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 J14 compound treatment 1.01 0.132 1.37 0.943 0.0796 0.85 1.5684 0.9739 1142790 TimTec1_004436 Cc1ccc(cc1C)N(Cc2ccc(cc2)C(=O)N3CCOCC3)S(=O)(=O)C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 J15 compound treatment 1.106 0.228 2.36 1.014 0.151 1.61 2.8078 0.9825 1406310 TimTec1_004437 CCCNc1nc(NC2CCCCC2)nc(OC(C)C)n1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 J16 compound treatment 0.958 0.0801 0.83 0.975 0.112 1.19 1.4293 0.9843 3212719 TimTec1_004438 CCC(=O)NC(Nc1sc2CCCCc2c1C(=O)N)(C(F)(F)F)C(F)(F)F 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 J17 compound treatment 0.996 0.118 1.22 0.976 0.113 1.2 1.7152 1.0 1448396 TimTec1_004439 CC(C)C(NC(=O)C(c1ccccc1)c2ccccc2)C(=O)N3CCOCC3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 J18 compound treatment 1.052 0.174 1.8 1.025 0.162 1.73 2.4955 0.9998 1655510 TimTec1_004440 Cc1ccccc1Nc2nc(Nc3ccccc3C)nc(Sc4nccn4C)n2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 J19 compound treatment 0.883 0.00506 0.05 0.875 0.0116 0.12 0.1247 0.9268 1576794 TimTec1_004441 CC(=O)N(Cc1ccc(cc1)S(=O)(=O)N)C2CC(=O)N(C2=O)c3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 J20 compound treatment 1.014 0.136 1.41 1.005 0.142 1.51 2.0661 0.9994 1667869 TimTec1_004442 Cc1ccccc1OCc2nnc(SCCC(=O)O)n2Cc3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 J21 compound treatment 0.928 0.0501 0.52 0.9 0.0366 0.39 0.6431 0.9903 3212720 TimTec1_004443 OCCCc1nnc(S)n1CC=C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 J22 compound treatment 1.458 0.58 6.01 1.462 0.599 6.39 8.77 0.9995 3212721 TimTec1_004444 COc1ccc(/C=N/c2ccc3[nH]c(=O)[nH]c3c2)cc1OC 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 J23 mock treatment 0.876 -0.00194 -0.02 0.859 -0.00441 -0.05 -0.0475 -0.9278 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 J24 mock treatment 0.87 -0.00794 -0.08 0.88 0.0166 0.18 0.0672 0.344 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 K01 compound treatment 0.134 -0.744 -7.7 0.061 -0.802 -8.57 -11.5098 -0.9986 3084505 TimTec1_004445 O=C(OCCSC1=NS(=O)(=O)c2ccccc12)c3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 K02 compound treatment 0.074 -0.804 -8.33 0.077 -0.786 -8.4 -11.8284 -1.0 3084507 TimTec1_004446 Cc1cc(C)c(C#N)c(SCC(=O)OC=C)n1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 K03 compound treatment 0.856 -0.0219 -0.23 0.791 -0.0724 -0.77 -0.7076 -0.8777 1649077 TimTec1_004447 O=C1OC2(CCCCC2)C(=C1)NCc3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 K04 compound treatment 0.435 -0.443 -4.59 0.467 -0.396 -4.23 -6.2384 -0.9992 3212722 TimTec1_004448 CC1=NN(C(=O)c2ccc(Cl)cc2)C(C)(O)C1CC=C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 K05 compound treatment 0.699 -0.179 -1.85 0.706 -0.157 -1.68 -2.4995 -0.9988 3212723 TimTec1_004449 COc1ccc(/C=N/C2(CC3CC4CC(C3)C2)C4)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 K06 compound treatment 0.988 0.11 1.14 0.938 0.0746 0.8 1.3695 0.9847 1472188 TimTec1_004450 CCC(C)(N1CCC1=O)C(=O)Nc2cccc(C)c2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 K07 compound treatment 1.028 0.15 1.55 0.959 0.0956 1.02 1.8211 0.9793 3212724 TimTec1_004451 Cc1cccc2oc(nc12)c3ccc(/N=C/c4cc(ccc4O)C(=O)O)cc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 K08 compound treatment 0.972 0.0941 0.97 0.88 0.0166 0.18 0.8142 0.8223 1385208 TimTec1_004452 Cc1ccc(C)c(c1)S(=O)(=O)n2ccnc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 K09 compound treatment 0.916 0.0381 0.39 0.908 0.0446 0.48 0.6156 0.9956 1562045 TimTec1_004453 CN(c1c(C)n(C)n(c2ccccc2)c1=O)S(=O)(=O)C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 K10 compound treatment 0.89 0.0121 0.12 0.876 0.0126 0.13 0.1835 0.9993 3084514 TimTec1_004454 Cc1cccc(NC(=O)c2cc(ccc2Cl)N3C(=O)C=CC3=O)c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 K11 compound treatment 0.978 0.1 1.04 0.956 0.0926 0.99 1.4323 0.9997 3212887 TimTec1_004455 CC(C)CN(C(=O)Nc1ccccc1)C2=NCC(C)S2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 K12 compound treatment 0.946 0.0681 0.7 0.917 0.0536 0.57 0.9033 0.9947 1735032 TimTec1_004456 COc1ccccc1Nc2nc3CCCCc3s2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 K13 compound treatment 1.027 0.149 1.54 1.007 0.144 1.53 2.1764 1.0 1256975 TimTec1_004457 CCCCS(=O)C1CCCCC1OC(=O)c2ccccc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 K14 compound treatment 1.274 0.396 4.1 1.256 0.393 4.19 5.8663 0.9999 1277459 TimTec1_004458 COC(=O)CNc1nc(Cl)nc(n1)N2CCC(C)CC2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 K15 compound treatment 0.915 0.0371 0.38 0.887 0.0236 0.25 0.4497 0.9792 1916082 TimTec1_004459 CC(=O)NC1=NN(C(S1)c2ccccc2)C(=O)C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 K16 compound treatment 0.953 0.0751 0.78 0.897 0.0336 0.36 0.8035 0.9384 1664793 TimTec1_004460 Cc1ccc(cc1)N2C(=C(C(C3=C2CC(C)(C)CC3)c4ccc(Cl)cc4)C(=O)N)N 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 K17 compound treatment 0.968 0.0901 0.93 0.949 0.0856 0.91 1.3062 1.0 1554613 TimTec1_004461 CSc1nsc(SC)c1NC(=O)N2CCCCC2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 K18 compound treatment 1.088 0.21 2.18 1.049 0.186 1.98 2.9404 0.9989 1119521 TimTec1_004462 O=C1NC(Nc2c1sc(=S)n2c3ccccc3)c4cccs4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 K19 compound treatment 0.602 -0.276 -2.86 0.642 -0.221 -2.37 -3.6934 -0.9956 1275123 TimTec1_004463 Nc1cc(nn1CC2CCCCC2)c3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 K20 compound treatment 1.048 0.17 1.76 1.037 0.174 1.85 2.5568 0.9997 1161548 TimTec1_004464 Cc1ccc(NC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)C(c4ccccc4)c5ccccc5)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 K21 compound treatment 0.923 0.0451 0.47 0.881 0.0176 0.19 0.4629 0.9201 1635937 TimTec1_004465 O=C(CSn1nnnc1c2ccccc2)c3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 K22 compound treatment 1.066 0.188 1.95 0.984 0.121 1.29 2.2883 0.9799 3212796 TimTec1_004466 FC(F)(F)c1c2CCc3ccccc3-c2nc4cc(nn14)C(=O)N5CCCC5 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 K23 mock treatment 0.864 -0.0139 -0.14 0.7 -0.163 -1.75 -1.3365 -0.763 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 K24 mock treatment 0.875 -0.00294 -0.03 0.888 0.0246 0.26 0.1643 0.6211 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 L01 compound treatment 0.14 -0.738 -7.64 0.147 -0.716 -7.65 -10.8162 -1.0 1434454 TimTec1_004467 CC(=O)Nc1ccc(Nc2cc(C)c3ccccc3n2)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 L02 compound treatment 0.947 0.0691 0.72 0.946 0.0826 0.88 1.1297 0.9946 1330869 TimTec1_004468 CN1CC[C@@H]2[C@@H](C1)c3cc(C)ccc3N2C(=O)c4ccc(C)cc4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 L03 compound treatment 0.97 0.0921 0.95 0.937 0.0736 0.79 1.2302 0.9954 3084523 TimTec1_004469 Cc1cc(=O)oc2cc(OC(=O)CSC(=N)N)ccc12 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 L04 compound treatment 0.872 -0.00594 -0.06 0.887 0.0236 0.25 0.1347 0.5194 1640717 TimTec1_004470 CCC(C(O)c1ccccc1)c2nc3ccccc3n2C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 L05 compound treatment 0.946 0.0681 0.7 0.802 -0.0614 -0.66 0.0346 0.0359 3084525 TimTec1_004471 Clc1cccc(c1)C(=O)OCC(=O)c2ccccc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 L06 compound treatment 1.337 0.459 4.75 1.318 0.455 4.86 6.7961 0.9999 3212798 TimTec1_004472 CCSc1nc(c(C#N)c(=O)n1CC)c2ccc(Cl)cc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 L07 compound treatment 0.925 0.0471 0.49 0.885 0.0216 0.23 0.5078 0.9416 1227993 TimTec1_004473 CC1(C)C2CCC3(C)OC(=O)N(N1c4ccccc4)C23C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 L08 compound treatment 1.003 0.125 1.3 0.959 0.0956 1.02 1.638 0.9931 1742964 TimTec1_004474 CCOC(=O)N1CCN(CC1)C(=S)NC(=O)c2ccc(F)cc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 L09 compound treatment 0.857 -0.0209 -0.22 0.812 -0.0514 -0.55 -0.5417 -0.9174 1439010 TimTec1_004475 COc1ccc(CCNC(=O)C2C(C3CC2C=C3)C(=O)O)cc1OC 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 L10 compound treatment 0.854 -0.0239 -0.25 0.851 -0.0124 -0.13 -0.269 -0.957 3084528 TimTec1_004476 CC1(C)CC(NC(=O)C(F)(F)F)C(NC(=O)C(F)(F)F)C(C)(C)N1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 L11 compound treatment 0.527 -0.351 -3.63 0.589 -0.274 -2.93 -4.643 -0.9943 3212799 TimTec1_004477 NC(=O)/C(=N/O)/C1=NC2(CCCCC2)Cc3ccccc13 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 L12 compound treatment 0.053 -0.825 -8.54 0.068 -0.795 -8.5 -12.0501 -1.0 1441377 TimTec1_004478 Clc1ccc(cc1)c2ccc(o2)C(=S)N3CCN(CC3)c4ccccc4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 L13 compound treatment 0.125 -0.753 -7.8 0.133 -0.73 -7.8 -11.0318 -1.0 1208093 TimTec1_004479 CN(C)CCOC(=O)C1(CC2c3ccccc3C1c4ccccc24)C#N 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 L14 compound treatment 0.805 -0.0729 -0.76 0.781 -0.0824 -0.88 -1.1567 -0.9971 3084551 TimTec1_004480 CCOC(=O)c1c(O)c(Cl)c(C)[nH]c1=O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 L15 compound treatment 0.957 0.0791 0.82 0.919 0.0556 0.59 0.999 0.9876 1150863 TimTec1_004481 CCOC(=O)c1c(C)c([nH]c1CN2CCOCC2)C(=O)OCc3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 L16 compound treatment 0.918 0.0401 0.41 0.916 0.0526 0.56 0.6907 0.9889 3212800 TimTec1_004482 CC(=O)N1N=C(CC1c2ccc(F)cc2)c3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 L17 compound treatment 0.908 0.0301 0.31 0.938 0.0746 0.8 0.7837 0.916 1417256 TimTec1_004483 OCCNC(=O)c1c2CCCCc2nc3ccccc13 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 L18 compound treatment 0.992 0.114 1.18 1.005 0.142 1.51 1.905 0.9925 1332505 TimTec1_004484 NNc1nnc2c3ccccc3[nH]c2n1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 L19 compound treatment 1.177 0.299 3.1 1.134 0.271 2.89 4.2343 0.9994 1647319 TimTec1_004485 COc1ccc(cc1)C2OC(=O)Cc3cc(OC)c(OC)cc23 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 L20 compound treatment 1.379 0.501 5.19 1.367 0.504 5.38 7.4738 0.9998 3084552 TimTec1_004486 O=c1nc(SCCOc2ccccc2)[nH]c3ccccc13 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 L21 compound treatment 0.901 0.0231 0.24 0.896 0.0326 0.35 0.4151 0.9831 3212801 TimTec1_004487 CC(=O)Nc1ccc2nc(C)sc2c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 L22 compound treatment 1.198 0.32 3.31 1.193 0.33 3.52 4.8338 0.9995 1262531 TimTec1_004488 Nc1nonc1c2noc(n2)c3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 L23 mock treatment 0.901 0.0231 0.24 0.869 0.00559 0.06 0.2112 0.8576 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 L24 mock treatment 0.823 -0.0549 -0.57 0.84 -0.0234 -0.25 -0.5792 -0.9318 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 M01 compound treatment 1.129 0.251 2.6 1.15 0.287 3.06 4.0037 0.9967 3212802 TimTec1_004489 CCCc1c(C#N)c(N)[nH]c(=S)c1C#N 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 M02 compound treatment 1.18 0.302 3.13 1.103 0.24 2.56 4.0221 0.995 3084553 TimTec1_004490 N#Cc1ccc(nc1SCc2ccncc2)c3cccs3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 M03 compound treatment 1.302 0.424 4.39 1.322 0.459 4.9 6.57 0.9985 1912735 TimTec1_004491 CCSc1nc(C)cc(COC)c1C#N 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 M04 compound treatment 0.142 -0.736 -7.62 0.151 -0.712 -7.61 -10.7713 -1.0 1677912 TimTec1_004492 OC(C1CCCN1Cc2ccccc2)(c3ccccc3)c4ccccc4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 M05 compound treatment 0.847 -0.0309 -0.32 0.828 -0.0354 -0.38 -0.494 -0.9966 1303390 TimTec1_004493 CNC(=O)C(NS(=O)(=O)c1ccc(C)cc1)C(C)C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 M06 compound treatment 0.931 0.0531 0.55 0.835 -0.0284 -0.3 0.174 0.2772 1611737 TimTec1_004494 CC1CN(C)CC(C1)(OC(=O)C)c2ccccc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 M07 compound treatment 0.885 0.00706 0.07 0.863 -4.06E-4 0.0 0.0487 0.664 1011962 TimTec1_004495 OC(=O)CCC(=O)Nc1ccc2ccccc2c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 M08 compound treatment 1.443 0.565 5.85 1.466 0.603 6.44 8.6904 0.9989 1708192 TimTec1_004496 CCOC(=O)c1[nH]c(C)c(C(=O)C(C)C)c1C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 M09 compound treatment 0.643 -0.235 -2.43 0.699 -0.164 -1.76 -2.9625 -0.9872 1647225 TimTec1_004497 CC1CCN(CC1)c2nc(nc(n2)N3CCC(C)CC3)N4CCC(C)CC4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 M10 compound treatment 1.079 0.201 2.08 1.068 0.205 2.19 3.018 0.9997 3212803 TimTec1_004498 COc1cccc(OCCNC(=O)c2cc(cc(c2)C(F)(F)F)C(F)(F)F)c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 M11 compound treatment 0.786 -0.0919 -0.95 0.722 -0.141 -1.51 -1.7415 -0.9752 3084554 TimTec1_004499 Oc1ccccc1/C=N/c2nc[nH]n2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 M12 compound treatment 1.23 0.352 3.65 1.17 0.307 3.28 4.8944 0.9986 3212804 TimTec1_004500 CCSc1nsc(SCC)c1C(=O)N 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 M13 compound treatment 0.911 0.0331 0.34 0.864 5.94E-4 0.01 0.2466 0.7201 3212805 TimTec1_004501 CSc1nnc2n(/N=C/c3cc4OCOc4cc3Br)cnn12 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 M14 compound treatment 0.948 0.0701 0.73 0.914 0.0506 0.54 0.8953 0.9895 1631850 TimTec1_004502 O=c1[nH]cc(COCc2ccccc2)c(=O)[nH]1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 M15 compound treatment 0.892 0.0141 0.15 0.854 -0.00941 -0.1 0.0319 0.1805 1119024 TimTec1_004503 CC(C)(C)NC1=CC(=O)OC21CCCCC2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 M16 compound treatment 1.064 0.186 1.93 1.031 0.168 1.79 2.6287 0.9993 3212806 TimTec1_004504 COC(=O)c1cccc(NC(=O)COC(=O)CSc2nc(C)cc(C)n2)c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 M17 compound treatment 0.198 -0.68 -7.04 0.18 -0.683 -7.3 -10.1421 -0.9998 3212807 TimTec1_004505 NC(=O)CSc1nsc(SCc2ccc(Cl)cc2)c1C#N 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 M18 compound treatment 1.078 0.2 2.07 1.088 0.225 2.4 3.1618 0.9973 1558723 TimTec1_004506 CC(=O)NC(Cc1ccc(F)cc1)C(=O)OCc2ccccc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 M19 compound treatment 1.269 0.391 4.05 1.249 0.386 4.12 5.7768 1.0 1121754 TimTec1_004507 CCOC(=O)c1cnn(CC2CCCCC2)c1N 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 M20 compound treatment 0.997 0.119 1.23 1.001 0.138 1.47 1.9114 0.9962 1392807 TimTec1_004508 O=C(NC(Cc1c[nH]c2ccccc12)C(=O)NC3CCCCC3)C(c4ccccc4)c5ccccc5 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 M21 compound treatment 0.912 0.0341 0.35 0.886 0.0226 0.24 0.4201 0.9829 3084555 TimTec1_004509 CSc1nc2ccc(/N=C/c3ccc(Sc4nnnn4c5ccccc5)o3)cc2s1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 M22 compound treatment 1.255 0.377 3.91 1.239 0.376 4.01 5.5987 0.9999 1691433 TimTec1_004510 Clc1ccc(NC(=O)C2C3CCC=CCCC23)cc1Cl 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 M23 mock treatment 0.881 0.00306 0.03 0.849 -0.0144 -0.15 -0.0864 -0.5498 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 M24 mock treatment 0.899 0.0211 0.22 0.801 -0.0624 -0.67 -0.3172 -0.4522 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 N01 compound treatment 0.589 -0.289 -2.99 0.55 -0.313 -3.35 -4.4836 -0.9984 3084556 TimTec1_004511 FC(F)(F)c1ccccc1/C=C\2/SC(=N)NC2=O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 N02 compound treatment 0.974 0.0961 0.99 0.958 0.0946 1.01 1.4181 1.0 1558366 TimTec1_004512 O=C(N1CCCCCC1)c2cc3ccccc3c(=O)o2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 N03 compound treatment 0.981 0.103 1.07 0.938 0.0746 0.8 1.3183 0.9896 1395140 TimTec1_004513 Cc1ccc2[nH]c(SCC(=O)O)nc2c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 N04 compound treatment 0.249 -0.629 -6.51 0.312 -0.551 -5.89 -8.7715 -0.9987 3212808 TimTec1_004514 Clc1c(sc2ccccc12)C(=O)n3cccn3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 N05 compound treatment 0.553 -0.325 -3.37 0.523 -0.34 -3.64 -4.9512 -0.9993 3084561 TimTec1_004515 Cc1nn(C(=O)Cc2ccc(Cl)cc2)c(C)c1Br 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 N06 compound treatment 1.06 0.182 1.89 0.966 0.103 1.1 2.1084 0.9667 1622238 TimTec1_004516 Nc1ccc(cc1F)c2nnn[nH]2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 N07 compound treatment 1.1 0.222 2.3 1.071 0.208 2.22 3.1945 0.9998 3084563 TimTec1_004517 CCNc1nnc(CSc2nc3ccccc3s2)s1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 N08 compound treatment 0.351 -0.527 -5.46 0.321 -0.542 -5.79 -7.9565 -0.9996 1261617 TimTec1_004518 CC(=C)CSC1=C(C#N)C(C)(C)C(C#N)C(=O)N1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 N09 compound treatment 1.041 0.163 1.69 0.992 0.129 1.37 2.1656 0.9948 3212888 TimTec1_004519 COc1cccc(c1)C2C(=C(N)Oc3c2c(C)nn3c4ccccc4)C#N 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 N10 compound treatment 0.821 -0.0569 -0.59 0.844 -0.0194 -0.21 -0.5636 -0.9016 1151574 TimTec1_004520 COc1cccc(c1)N2C(=O)NC(=O)C(CCc3ccncc3)(CCc4ccncc4)C2=O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 N11 compound treatment 0.828 -0.0499 -0.52 0.835 -0.0284 -0.3 -0.5803 -0.9677 3212889 TimTec1_004521 CCOC1CC(C)(C)NC(=S)N1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 N12 compound treatment 0.917 0.0391 0.4 0.883 0.0196 0.21 0.4341 0.953 1367122 TimTec1_004522 OC1CCN(C2CCCCC12)S(=O)(=O)c3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 N13 compound treatment 1.459 0.581 6.02 1.366 0.503 5.37 8.0521 0.9984 1402632 TimTec1_004523 CCCn1c(nc2ccccc12)c3nonc3N 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 N14 compound treatment 0.949 0.0711 0.74 0.943 0.0796 0.85 1.1217 0.9974 1157736 TimTec1_004524 CCOC(=O)c1cc(C(=O)NC(C)c2ccccc2)c(C)[nH]c1=O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 N15 compound treatment 0.85 -0.0279 -0.29 0.835 -0.0284 -0.3 -0.4192 -0.9997 1611714 TimTec1_004525 COC(=O)C(C(=O)OC)c1ccc(C#N)c(C#N)c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 N16 compound treatment 0.93 0.0521 0.54 0.877 0.0136 0.15 0.484 0.8667 3212890 TimTec1_004526 COc1ccc(cc1)N(/N=C/2\Oc3ccc4c(C)cc(=O)oc4c3C2=O)C(=O)C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 N17 compound treatment 1.005 0.127 1.32 0.949 0.0856 0.91 1.5771 0.9842 1271644 TimTec1_004527 OC1(CSC2=C(C#N)C(CC(=O)N21)c3cccs3)c4ccccc4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 N18 compound treatment 1.197 0.319 3.3 1.182 0.319 3.4 4.7434 0.9999 1486726 TimTec1_004528 CCCS(=O)(=O)c1c(C(=O)c2ccc(C)cc2)n3cccc(N)c3c1S(=O)(=O)CCC 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 N19 compound treatment 0.887 0.00906 0.09 0.863 -4.06E-4 0.0 0.0633 0.6737 3084570 TimTec1_004529 Cc1nnnn1CC(=O)Nc2ccc(F)cc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 N20 compound treatment 0.882 0.00406 0.04 0.861 -0.00241 -0.03 0.0116 0.2347 1252602 TimTec1_004530 COc1ccc(Br)cc1S(=O)(=O)NCc2ccccn2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 N21 compound treatment 0.761 -0.117 -1.21 0.747 -0.116 -1.24 -1.7358 -0.9999 3212891 TimTec1_004531 CCOC(=O)C1=C(OC(=C(C#N)C1c2ccc(F)cc2)N)c3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 N22 compound treatment 1.306 0.428 4.43 1.293 0.43 4.59 6.3802 0.9999 1565486 TimTec1_004532 COc1cc(Oc2ccccc2CC=C)nc(N)n1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 N23 mock treatment 0.853 -0.0249 -0.26 0.858 -0.00541 -0.06 -0.2235 -0.8444 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 N24 mock treatment 0.815 -0.0629 -0.65 0.816 -0.0474 -0.51 -0.819 -0.9922 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 O01 compound treatment 0.417 -0.461 -4.77 0.385 -0.478 -5.11 -6.9897 -0.9994 1618653 TimTec1_004533 Cc1ccc(cc1C)C(=O)c2cccc(N)c2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 O02 compound treatment 0.373 -0.505 -5.23 0.28 -0.583 -6.23 -8.1051 -0.9962 3212892 TimTec1_004534 COC(=O)c1c(C)[nH]c(C)c1c2ccccc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 O03 compound treatment 1.131 0.253 2.62 1.075 0.212 2.26 3.4517 0.9973 3084586 TimTec1_004535 CSc1nnc2n(/N=C/c3c[nH]c4ccccc34)cnn12 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 O04 compound treatment 0.883 0.00506 0.05 0.82 -0.0434 -0.46 -0.2908 -0.6232 3212893 TimTec1_004536 NC(=O)[C@@H]1[C@@H](c2ccc(Cl)cc2)C1(C#N)C#N 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 O05 compound treatment 0.912 0.0341 0.35 0.898 0.0346 0.37 0.5108 0.9997 1780136 TimTec1_004537 CCOC(=O)c1c(C)cc(C)[nH]c1=O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 O06 compound treatment 0.892 0.0141 0.15 0.894 0.0306 0.33 0.3341 0.9337 1363495 TimTec1_004538 CN(Cn1nc(O)ccc1=O)c2ccccc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 O07 compound treatment 0.209 -0.669 -6.93 0.143 -0.72 -7.7 -10.3411 -0.9986 3084613 TimTec1_004539 NC1=NN(CC1)c2ccccc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 O08 compound treatment 1.066 0.188 1.95 1.032 0.169 1.8 2.6509 0.9992 1493858 TimTec1_004540 COc1ccc(cc1OC)C2=C(N)C(=O)NC2=O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 O09 compound treatment 1.049 0.171 1.77 1.04 0.177 1.89 2.5868 0.9995 3212894 TimTec1_004541 Cc1ccccc1/C=N/N2C(=O)c3ccc4CCc5ccc(C2=O)c3c45 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 O10 compound treatment 0.979 0.101 1.05 0.994 0.131 1.4 1.7267 0.99 1029950 TimTec1_004542 CN(C)c1ccc(cc1)C(=NO)c2ccc(cc2)N(C)C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 O11 compound treatment 0.854 -0.0239 -0.25 0.815 -0.0484 -0.52 -0.541 -0.9433 1641866 TimTec1_004543 Cc1cc(C)c(cc1S(=O)(=O)N)S(=O)(=O)N 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 O12 compound treatment 0.889 0.0111 0.11 0.902 0.0386 0.41 0.3726 0.8706 3212895 TimTec1_004544 O=C(CSc1ccccn1)Nc2sc3CCCCc3c2C#N 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 O13 compound treatment 0.861 -0.0169 -0.18 0.86 -0.00341 -0.04 -0.1498 -0.836 3084617 TimTec1_004545 O=C(CSc1ncn[nH]1)Nc2ccccc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 O14 compound treatment 0.902 0.0241 0.25 0.86 -0.00341 -0.04 0.1505 0.5975 1421449 TimTec1_004546 NC(=O)Cc1ccc(NC(=O)CCC(=O)O)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 O15 compound treatment 0.766 -0.112 -1.16 0.812 -0.0514 -0.55 -1.2081 -0.9417 1919218 TimTec1_004547 OC(=O)CCCC(=O)Nc1cccc(c1)C(F)(F)F 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 O16 compound treatment 1.107 0.229 2.37 1.08 0.217 2.31 3.3137 0.9999 3084620 TimTec1_004548 FC(F)(F)c1cccc(c1)N2CCN(CC2)C(=S)Nc3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 O17 compound treatment 0.829 -0.0489 -0.51 1.137 0.274 2.92 1.7084 0.5759 1239543 TimTec1_004549 O=C(CSc1nc2ccccc2o1)c3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 O18 compound treatment 0.924 0.0461 0.48 0.904 0.0406 0.43 0.644 0.9989 1529100 TimTec1_004550 CCn1cc(c(C#N)c1NC(=O)C)C(C)(C)C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 O19 compound treatment 0.883 0.00506 0.05 0.84 -0.0234 -0.25 -0.1397 -0.5469 3084622 TimTec1_004551 Clc1ccc(OCCNC(=O)c2cccs2)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 O20 compound treatment 0.87 -0.00794 -0.08 0.872 0.00859 0.09 0.0068 0.0551 1322941 TimTec1_004552 Cc1cc(C)n(NC2=CC(=O)CC(C)(C)C2)c(=O)c1C#N 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 O21 compound treatment 0.814 -0.0639 -0.66 0.811 -0.0524 -0.56 -0.8641 -0.9965 3212896 TimTec1_004553 CCN/C(=N/CC)/SC1CC(=O)N(C1=O)c2ccc(OCC)cc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 O22 compound treatment 1.079 0.201 2.08 1.049 0.186 1.98 2.8745 0.9997 3084625 TimTec1_004554 Nc1nc(nc2c3ccccc3oc(=O)c12)c4cccnc4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 O23 mock treatment 0.749 -0.129 -1.34 0.758 -0.105 -1.13 -1.7405 -0.9964 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 O24 mock treatment 0.878 6.25E-5 0.0 0.83 -0.0334 -0.36 -0.2519 -0.7058 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 P01 compound treatment 1.141 0.263 2.72 1.059 0.196 2.09 3.4041 0.9914 1465751 TimTec1_004555 O=C(Cc1ccccc1)Nc2ccc3oc(nc3c2)c4ccncc4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 P02 compound treatment 0.568 -0.31 -3.21 0.647 -0.216 -2.31 -3.9046 -0.987 1350858 TimTec1_004556 Cc1cccc(C)c1N2CCc3cn[nH]c23 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 P03 compound treatment 1.024 0.146 1.51 1.0 0.137 1.46 2.1016 0.9998 1593678 TimTec1_004557 COc1ccc(CCC(O)C2(O)CCCCC2)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 P04 compound treatment 1.039 0.161 1.67 0.968 0.105 1.12 1.9697 0.981 1664967 TimTec1_004558 Clc1ccc(NC(=O)CC2SCCNC2=O)cc1Cl 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 P05 compound treatment 0.837 -0.0409 -0.42 0.822 -0.0414 -0.44 -0.6126 -0.9998 1438867 TimTec1_004559 O=C1N(CC2CCCO2)C(=O)c3cc(ccc13)c4nc5ccccc5c(=O)o4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 P06 compound treatment 0.946 0.0681 0.7 0.923 0.0596 0.64 0.9486 0.9987 1740022 TimTec1_004560 CC1CN(Cn2nc(c3ccccc3)n(CC=C)c2=S)CC(C)O1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 P07 compound treatment 1.069 0.191 1.98 1.087 0.224 2.39 3.0883 0.9956 1430817 TimTec1_004561 O=C(CSCc1ccccc1)Nc2nnc(Cc3ccccc3)s2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 P08 compound treatment 0.915 0.0371 0.38 0.818 -0.0454 -0.49 -0.0716 -0.1157 1573254 TimTec1_004562 CC(CN1CCNCC1)(NS(=O)(=O)c2ccccc2)c3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 P09 compound treatment 0.935 0.0571 0.59 0.835 -0.0284 -0.3 0.2033 0.306 1431707 TimTec1_004563 COc1cc2C(CC(=O)Nc3ccccc3)C(=O)N(N=C(C)c2cc1OC)C(=O)C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 P10 compound treatment 0.972 0.0941 0.97 0.845 -0.0184 -0.2 0.5498 0.5532 1386480 TimTec1_004564 CC(C)CNC(=O)c1cccc(NC(=O)CC(C)C)c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 P11 compound treatment 0.542 -0.336 -3.48 0.502 -0.361 -3.86 -5.1904 -0.9987 3212897 TimTec1_004565 C=CC/N=C(\SCc1ccccc1)/N2CCCC2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 P12 compound treatment 0.35 -0.528 -5.47 0.358 -0.505 -5.4 -7.6843 -1.0 1213970 TimTec1_004566 CC(=O)Oc1coc2ccc3c(C)cc(=O)oc3c12 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 P13 compound treatment 0.813 -0.0649 -0.67 0.748 -0.115 -1.23 -1.3474 -0.9594 1578888 TimTec1_004567 Clc1ccc(cc1)C(NC(=O)c2ccccc2Cl)C#N 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 P14 compound treatment 1.043 0.165 1.71 1.007 0.144 1.53 2.2936 0.9985 1291706 TimTec1_004568 COC(=O)C1=C(C)NC(=C(C#N)C1c2cccnc2)S 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 P15 compound treatment 1.301 0.423 4.38 1.308 0.445 4.75 6.4569 0.9992 3212898 TimTec1_004569 CCSc1cccc2cccnc12 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 P16 compound treatment 0.812 -0.0659 -0.68 0.785 -0.0784 -0.84 -1.0752 -0.9949 1230586 TimTec1_004570 CC(=O)Nc1cc2c(C)cc(=O)oc2c3C(=O)COc31 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 P17 compound treatment 0.857 -0.0209 -0.22 0.829 -0.0344 -0.37 -0.4132 -0.9683 3085776 TimTec1_004571 CCc1nnc(NC(=O)COC(=O)CSc2nc(cc(n2)c3ccccc3)c4ccccc4)s1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 P18 compound treatment 0.959 0.0811 0.84 0.875 0.0116 0.12 0.6812 0.8027 1673944 TimTec1_004572 Cc1nn2cc(nc2s1)c3ccc(N)cc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 P19 compound treatment 0.902 0.0241 0.25 0.833 -0.0304 -0.32 -0.0535 -0.1306 3212899 TimTec1_004573 O=C(CSC1=NC(=O)C(Cc2ccccc2)C(=O)N1)NCc3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 P20 compound treatment 0.672 -0.206 -2.13 0.732 -0.131 -1.4 -2.5009 -0.9794 3085777 TimTec1_004574 CCOC(=O)C1NCCc2ccccc12 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 P21 compound treatment 1.17 0.292 3.02 1.148 0.285 3.04 4.2888 1.0 1311348 TimTec1_004575 CCC(=O)Oc1ccc2c3CCCc3c(=O)oc2c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 P22 compound treatment 1.132 0.254 2.63 1.08 0.217 2.31 3.4968 0.9979 1265079 TimTec1_004576 COc1ccc2nc(C)c3CC(C)Oc3c2c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 P23 mock treatment 0.814 -0.0639 -0.66 0.767 -0.0964 -1.03 -1.1965 -0.9772 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2075 P24 mock treatment 0.797 -0.0809 -0.84 0.763 -0.1 -1.07 -1.3512 -0.9926 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 A01 compound treatment 1.142 0.0469 0.49 0.988 -0.0582 -0.62 -0.0965 -0.1222 1644449 TimTec1_004929 COc1cc2CN(C)C(Cc3ccc(OC(=O)C)cc3)c2cc1OBr 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 A02 compound treatment 1.234 0.139 1.44 1.227 0.181 1.93 2.3827 0.9895 3085801 TimTec1_004930 CCn1c(nc2ccccc12)c3nc4ccccc4n3CC 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 A03 compound treatment 1.076 -0.0191 -0.2 1.049 0.00275 0.03 -0.1191 -0.5955 3211933 TimTec1_004931 CCOC(=O)/C=C(\C)/NC1CC(C)(C)NC(C)(C)C1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 A04 compound treatment 1.128 0.0329 0.34 1.083 0.0368 0.39 0.5186 0.9975 3085802 TimTec1_004932 CO[C@H]1O[C@H](CO)C(=O)C(=C1N)O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 A05 compound treatment 1.082 -0.0131 -0.14 1.083 0.0368 0.39 0.1817 0.4375 3211934 TimTec1_004933 O=c1sc2ccccc2n1COc3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 A06 compound treatment 0.069 -1.03 -10.63 0.07 -0.976 -10.43 -14.8894 -1.0 1219039 TimTec1_004934 CN1CCN(Cc2c3ccccc3cc4ccccc24)CC1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 A07 compound treatment 1.123 0.0279 0.29 1.07 0.0238 0.25 0.3838 0.9979 3085803 TimTec1_004935 Cc1noc(C)c1C(=O)Nc2nnc(SCC(=O)O)s2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 A08 compound treatment 0.743 -0.352 -3.65 0.732 -0.314 -3.36 -4.9525 -0.9991 1640299 TimTec1_004936 CN(Cc1ccc2OCOc2c1)C3CCCCC3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 A09 compound treatment 1.1 0.00491 0.05 1.038 -0.00825 -0.09 -0.0264 -0.2594 1531940 TimTec1_004937 OC(C(=O)c1ccccc1)c2c[nH]c3ccccc23 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 A10 compound treatment 1.143 0.0479 0.5 1.119 0.0728 0.78 0.9004 0.9765 3211935 TimTec1_004938 Cn1nnnc1c2ccco2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 A11 compound treatment 0.565 -0.53 -5.49 0.522 -0.524 -5.6 -7.8425 -1.0 1334202 TimTec1_004939 CC(NC(=O)OCc1ccccc1)C(=O)Oc2ccc3c(=O)c(Oc4ccccc4)c(C)oc3c2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 A12 compound treatment 1.116 0.0209 0.22 0.812 -0.234 -2.5 -1.6165 -0.6435 1403452 TimTec1_004940 COc1ccccc1c2nn(CN(c3ccccc3)c4ccccc4)c(=S)o2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 A13 compound treatment 1.085 -0.0101 -0.1 0.965 -0.0812 -0.87 -0.6877 -0.7866 1575737 TimTec1_004941 O=C(c1ccc2OCCCOc2c1)c3ccc4ccccc4c3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 A14 compound treatment 0.991 -0.104 -1.08 0.928 -0.118 -1.26 -1.6556 -0.9969 1152651 TimTec1_004942 O[C@@H](C1CC2CCN1CC2C=C)c3cnc4ccccc4c3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 A15 compound treatment 1.479 0.384 3.98 1.484 0.438 4.68 6.1184 0.9967 1401869 TimTec1_004943 CC1(C)CC2(CCCN(CC#N)C2)CCO1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 A16 compound treatment 1.145 0.0499 0.52 1.096 0.0498 0.53 0.7413 0.9999 1670175 TimTec1_004944 Cc1nc2c(sc3nc4CCCCc4c(c5ccco5)c32)c(=O)o1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 A17 compound treatment 1.159 0.0639 0.66 1.158 0.112 1.19 1.3122 0.9613 1247373 TimTec1_004945 Brc1ccnc(N2C(=O)c3ccccc3C2=O)c1Br 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 A18 compound treatment 1.077 -0.0181 -0.19 1.131 0.0848 0.91 0.5077 0.5491 3211937 TimTec1_004946 Nc1c(sc2nc(ccc12)c3cccs3)C(=O)c4ccc(Br)cc4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 A19 compound treatment 0.063 -1.03 -10.69 0.058 -0.988 -10.56 -15.024 -1.0 3085804 TimTec1_004947 CC(=C)C(=O)N1C(COC1=O)c2ccccc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 A20 compound treatment 1.347 0.252 2.61 1.381 0.335 3.58 4.3736 0.988 1254800 TimTec1_004948 CNc1nc(OC)cc(OC)n1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 A21 compound treatment 1.072 -0.0231 -0.24 1.092 0.0458 0.49 0.1765 0.3243 3211938 TimTec1_004949 O=C(NCc1ccco1)/C(=C/C=C\c2ccccc2)/NC(=O)c3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 A22 compound treatment 1.048 -0.0471 -0.49 0.98 -0.0662 -0.71 -0.8454 -0.9835 1033657 TimTec1_004950 CS(=O)(=O)c1nc2ccccc2s1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 A23 mock treatment 1.128 0.0329 0.34 1.077 0.0308 0.33 0.4733 0.9998 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 A24 mock treatment 1.08 -0.0151 -0.16 1.064 0.0178 0.19 0.0235 0.0958 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 B01 compound treatment 0.903 -0.192 -1.99 0.861 -0.185 -1.98 -2.8062 -1.0 3211939 TimTec1_004951 CC(C)(C)C(=O)Nc1nccs1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 B02 compound treatment 1.269 0.174 1.8 1.254 0.208 2.22 2.843 0.9946 3211940 TimTec1_004952 O=S(=O)(/N=C(\Nc1cccc2ccccc12)/c3ccccc3)c4ccccc4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 B03 compound treatment 1.177 0.0819 0.85 1.244 0.198 2.11 2.0937 0.9197 1143395 TimTec1_004953 CN(C)c1nc2n(C)c(=O)[nH]c(=O)c2[nH]1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 B04 compound treatment 1.279 0.184 1.9 1.265 0.219 2.34 2.9993 0.9948 3085810 TimTec1_004954 CCOC(=O)c1cn(nc1C(F)(F)F)c2ccc(Cl)cc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 B05 compound treatment 1.132 0.0369 0.38 1.139 0.0928 0.99 0.9709 0.9142 3211941 TimTec1_004955 CCc1[o+]c(cc2CCCCc12)c3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 B06 compound treatment 1.351 0.256 2.65 1.364 0.318 3.39 4.2745 0.9925 1673469 TimTec1_004956 Cc1nn(c2ccccc2)c3sc(cc13)C(=O)N 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 B07 compound treatment 0.549 -0.546 -5.66 0.426 -0.62 -6.63 -8.6848 -0.9969 3211942 TimTec1_004957 O=C/1CCCC\C1=C\Nc2cccc(N/C=C\3/CCCCC3=O)c2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 B08 compound treatment 1.109 0.0139 0.14 1.021 -0.0253 -0.27 -0.0889 -0.2907 1541165 TimTec1_004958 Cc1nonc1NC(=O)Nc2cccnc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 B09 compound treatment 1.098 0.00291 0.03 1.091 0.0448 0.48 0.3593 0.7501 1429667 TimTec1_004959 COc1cccc(C(N2CCCC2)c3cc4OCOc4cc3O)c1O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 B10 compound treatment 1.208 0.113 1.17 1.185 0.139 1.48 1.875 0.9931 3085814 TimTec1_004960 CC(=O)Nc1sc(C)c(C)c1C#N 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 B11 compound treatment 1.029 -0.0661 -0.68 1.014 -0.0322 -0.34 -0.7277 -0.9495 1366449 TimTec1_004961 CN(C)c1ccc(cc1)C2CC(C)(Oc3cc4OCOc4cc23)N5CCCC5 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 B12 compound treatment 1.096 9.06E-4 0.01 1.043 -0.00325 -0.03 -0.0179 -0.4981 3085816 TimTec1_004962 CC1=NNC(=O)C1C(C(C#N)C#N)c2ccccc2F 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 B13 compound treatment 1.132 0.0369 0.38 1.104 0.0578 0.62 0.7065 0.9735 1019517 TimTec1_004963 COc1cc(cc(OC)c1O)C2C3C(COC3=O)Cc4c(O)c5OCOc5cc24 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 B14 compound treatment 1.256 0.161 1.67 1.217 0.171 1.82 2.4683 0.999 1563233 TimTec1_004964 CCSc1nc2n(C)c(=O)[nH]c(=O)c2n1Cc3ccc(C)cc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 B15 compound treatment 1.229 0.134 1.39 1.21 0.164 1.75 2.2177 0.9934 3085858 TimTec1_004965 COc1cnc(SC)n(C)c1=O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 B16 compound treatment 1.127 0.0319 0.33 1.048 0.00175 0.02 0.2469 0.7459 1621047 TimTec1_004966 Cn1c(=O)[nH]c(=O)c2n(CC(O)COc3ccc(Cl)cc3Cl)c(Br)nc12 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 B17 compound treatment 1.404 0.309 3.2 1.439 0.393 4.2 5.2292 0.991 1547656 TimTec1_004967 CCOc1nc2ccccc2c(=O)[nH]1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 B18 compound treatment 1.144 0.0489 0.51 1.106 0.0598 0.64 0.8095 0.9934 1446595 TimTec1_004968 CC(C)c1oc2cc(O)ccc2c(=O)c1c3nc4ccccc4n3C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 B19 compound treatment 1.092 -0.00309 -0.03 1.127 0.0808 0.86 0.5873 0.6804 2747 TimTec1_004969 Nc1ccn([C@H]2CC[C@@H](CO)O2)c(=O)n1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 B20 compound treatment 1.029 -0.0661 -0.68 1.081 0.0348 0.37 -0.2215 -0.2845 1295276 TimTec1_004970 NC(=S)c1[nH]nc2c1[nH]c3ccccc23 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 B21 compound treatment 0.046 -1.05 -10.87 0.05 -0.996 -10.64 -15.209 -0.9999 1170984 TimTec1_004971 Cc1ccc(SC(CC(=O)c2ccc(cc2)C(C)(C)C)C(=O)O)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 B22 compound treatment 0.687 -0.408 -4.23 0.657 -0.389 -4.16 -5.9292 -1.0 3085864 TimTec1_004972 CCCCC1SC(=NNC1=O)/N=C/c2ccc(Cl)cc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 B23 mock treatment 1.127 0.0319 0.33 1.054 0.00775 0.08 0.2922 0.8578 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 B24 mock treatment 1.084 -0.0111 -0.11 1.021 -0.0253 -0.27 -0.272 -0.9276 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 C01 compound treatment 1.187 0.0919 0.95 1.233 0.187 2.0 2.0838 0.9427 1262842 TimTec1_004973 CCOC(=O)C1(CCN(c2ccccc2C1=O)S(=O)(=O)c3ccc(C)cc3)C(=O)OCC 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 C02 compound treatment 1.165 0.0699 0.72 1.172 0.126 1.34 1.4619 0.9579 1630883 TimTec1_004974 Cn1c(nc2ccccc12)P(=O)(C)O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 C03 compound treatment 0.975 -0.12 -1.24 0.819 -0.227 -2.43 -2.5962 -0.9517 3211943 TimTec1_004975 CCc1cccc(NC(=O)OC2CCN(C)CC2)c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 C04 compound treatment 0.472 -0.623 -6.45 0.385 -0.661 -7.06 -9.5585 -0.999 3085867 TimTec1_004976 Oc1ccccc1/N=C/c2ccncc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 C05 compound treatment 1.105 0.00991 0.1 0.986 -0.0602 -0.64 -0.3826 -0.587 1684419 TimTec1_004977 CC(=O)Nc1ccc2n(CC=C)c(=O)sc2c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 C06 compound treatment 1.093 -0.00209 -0.02 1.076 0.0298 0.32 0.2094 0.6573 3085869 TimTec1_004978 CN1CCN(Cc2c(Cl)cccc2Cl)CC1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 C07 compound treatment 1.07 -0.0251 -0.26 1.042 -0.00425 -0.05 -0.2159 -0.8182 1544605 TimTec1_004979 Cc1ccc(F)c2[nH]cc3c(=O)n(nc3c12)c4ccccc4Cl 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 C08 compound treatment 1.091 -0.00409 -0.04 1.025 -0.0213 -0.23 -0.1905 -0.8249 1692460 TimTec1_004980 CSc1ccc(CN2CCOCC2)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 C09 compound treatment 1.115 0.0199 0.21 1.081 0.0348 0.37 0.4083 0.9615 1697399 TimTec1_004981 CC(Oc1ccc2c(cc(=O)oc2c1)c3ccccc3)C(=O)ON4C(=O)CCC4=O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 C10 compound treatment 1.143 0.0479 0.5 1.04 -0.00625 -0.07 0.3036 0.6065 1553247 TimTec1_004982 Nc1nc(c(Cl)s1)S(=O)(=O)c2ccccc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 C11 compound treatment 1.123 0.0279 0.29 1.038 -0.00825 -0.09 0.1421 0.4701 1170357 TimTec1_004983 CC(C)(C)OC(=O)N1CCCC1C(=O)Oc2ccc3c(=O)c(coc3c2)c4ccc5OCCOc5c4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 C12 compound treatment 1.2 0.105 1.09 1.222 0.176 1.88 2.0959 0.9662 1143084 TimTec1_004984 O=C(CSCc1c[nH]c2ccccc12)Nc3ccc4ccccc4c3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 C13 compound treatment 1.082 -0.0131 -0.14 1.013 -0.0333 -0.36 -0.3471 -0.9128 1113621 TimTec1_004985 S=C(N1CCOCC1)c2ccccc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 C14 compound treatment 0.807 -0.288 -2.98 0.647 -0.399 -4.27 -5.1259 -0.9847 3211944 TimTec1_004986 OC[C@H]1[C@@H](C[C@@H]2OC(=O)C[C@H]12)OC(=O)c3ccc(cc3)c4ccccc4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 C15 compound treatment 1.062 -0.0331 -0.34 0.951 -0.0952 -1.02 -0.9619 -0.8958 1673684 TimTec1_004987 COc1nc(nc(n1)N2CCc3ccccc23)N4CCc5ccccc45 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 C16 compound treatment 1.466 0.371 3.84 1.413 0.367 3.92 5.4869 1.0 3085875 TimTec1_004988 CCc1nc(SC)c(C#N)c2CCCCc12 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 C17 compound treatment 0.925 -0.17 -1.76 0.861 -0.185 -1.98 -2.6451 -0.9983 1436730 TimTec1_004989 CC1(C)CC(=O)C(C(=C1)O)C2(O)C(=O)c3ccccc3C2=O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 C18 compound treatment 1.124 0.0289 0.3 1.072 0.0258 0.28 0.4062 0.9991 1271503 TimTec1_004990 COc1ccc(OC)c(c1)C2C(=C(N)Oc3cc(C)oc(=O)c23)C#N 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 C19 compound treatment 0.59 -0.505 -5.23 0.476 -0.57 -6.09 -8.0069 -0.9971 3085916 TimTec1_004991 CC[n+]1ccc(/C=C/c2ccc(OC)c(OC)c2OC)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 C20 compound treatment 1.129 0.0339 0.35 1.106 0.0598 0.64 0.6997 0.9604 3085918 TimTec1_004992 Nc1nc(OCC(F)(F)F)cc(n1)c2ccccc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 C21 compound treatment 0.978 -0.117 -1.21 0.957 -0.0892 -0.95 -1.5318 -0.9929 3211998 TimTec1_004993 CC1CCN(CC1)C(=O)/C(=C/C=C\c2ccccc2)/NC(=O)c3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 C22 compound treatment 1.087 -0.00809 -0.08 0.983 -0.0632 -0.68 -0.5371 -0.7888 3085922 TimTec1_004994 Cc1nc2ccccc2c(=O)n1/N=C/c3ccc4ncccc4c3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 C23 mock treatment 1.12 0.0249 0.26 1.075 0.0288 0.31 0.3996 0.9962 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 C24 mock treatment 1.116 0.0209 0.22 1.047 7.5E-4 0.01 0.1588 0.7328 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 D01 compound treatment 1.147 0.0519 0.54 1.082 0.0358 0.38 0.6502 0.986 1018493 TimTec1_004995 CC(C)C(N1C(=O)c2ccccc2C1=O)C(=O)O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 D02 compound treatment 1.086 -0.00909 -0.09 1.012 -0.0342 -0.37 -0.3253 -0.8611 1571869 TimTec1_004996 Cc1ccc(cc1)S(=O)(=O)NC(=O)SC#N 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 D03 compound treatment 1.263 0.168 1.74 1.209 0.163 1.74 2.4591 1.0 1513997 TimTec1_004997 Cc1cccc(Oc2ncc(F)c(Oc3cccc(C)c3)n2)c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 D04 compound treatment 1.193 0.0979 1.01 1.245 0.199 2.12 2.2184 0.9428 1365828 TimTec1_004998 CSc1nc2NC(=CC(c3ccccc3)n2n1)C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 D05 compound treatment 1.19 0.0949 0.98 1.181 0.135 1.44 1.713 0.9827 3085925 TimTec1_004999 CCc1[o+]c(cc2cc(OC)c(OC)cc12)c3ccc(OC)cc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 D06 compound treatment 0.128 -0.967 -10.02 0.149 -0.897 -9.59 -13.8606 -0.9998 1921582 TimTec1_005000 Cc1cc(C)n(n1)C(=O)c2ccc(cc2)c3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 D07 compound treatment 1.044 -0.0511 -0.53 1.043 -0.00325 -0.03 -0.3987 -0.7519 3211999 TimTec1_005001 O=C/1CCCC\C1=C\Nc2ccc(N/C=C\3/CCCCC3=O)cc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 D08 compound treatment 1.021 -0.0741 -0.77 0.941 -0.105 -1.12 -1.3377 -0.9827 1174633 TimTec1_005002 CC(NC(=O)c1cccc(N)c1)c2ccccc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 D09 compound treatment 1.26 0.165 1.71 1.275 0.229 2.44 2.9357 0.9847 1210964 TimTec1_005003 COc1ccc(cc1)C(C)c2cc3OCOc3cc2OCC=C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 D10 compound treatment 0.903 -0.192 -1.99 0.972 -0.0742 -0.79 -1.9677 -0.9187 3212000 TimTec1_005004 Clc1ccc(NC(=O)c2cccs2)nc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 D11 compound treatment 0.082 -1.01 -10.49 0.077 -0.969 -10.35 -14.7414 -1.0 1124331 TimTec1_005005 CN(C)c1ccc(cc1)C(N2CCCCC2)c3cc4OCOc4cc3O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 D12 compound treatment 1.145 0.0499 0.52 1.076 0.0298 0.32 0.5902 0.9727 1007160 TimTec1_005006 NC(=N)Nc1nc2ccccc2[nH]1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 D13 compound treatment 1.02 -0.0751 -0.78 1.018 -0.0282 -0.3 -0.7634 -0.915 3085929 TimTec1_005007 Cn1c(=O)n(C)c2nc([nH]c2c1=O)[n+]3ccc(cc3)C(=O)O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 D14 compound treatment 0.882 -0.213 -2.21 0.946 -0.1 -1.07 -2.3179 -0.9449 1272092 TimTec1_005008 Cn1c(=O)[nH]c(=O)c2n(CC(O)COc3ccc4ccccc4c3)c(S)nc12 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 D15 compound treatment 1.104 0.00891 0.09 1.015 -0.0313 -0.33 -0.1708 -0.4933 1371696 TimTec1_005009 OC(=O)Cn1ccsc1=N 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 D16 compound treatment 1.427 0.332 3.44 1.261 0.215 2.29 4.053 0.9807 3085931 TimTec1_005010 CCOC(=O)N(c1ccccc1)S(=O)(=O)c2ccccc2C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 D17 compound treatment 1.295 0.2 2.07 1.265 0.219 2.34 3.1165 0.9982 1391232 TimTec1_005011 CCOc1nc2ccccc2c(=O)n1CCO 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 D18 compound treatment 1.073 -0.0221 -0.23 1.029 -0.0173 -0.18 -0.2921 -0.9942 1600779 TimTec1_005012 NC(=O)c1c(oc2ccc(O)cc12)c3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 D19 compound treatment 1.255 0.16 1.66 1.241 0.195 2.08 2.6423 0.9936 3085934 TimTec1_005013 Cn1cnnc1SC/C=C/c2ccccc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 D20 compound treatment 0.047 -1.05 -10.86 0.048 -0.998 -10.66 -15.2168 -1.0 3212001 TimTec1_005014 N(=c/1\[nH]c2c(ccc3ccccc23)s1)\c4ccccc4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 D21 compound treatment 0.953 -0.142 -1.47 0.936 -0.11 -1.18 -1.8735 -0.9939 1597367 TimTec1_005015 OC(=O)C(CC(=O)c1ccc(Cl)cc1)SCc2ccc(Cl)cc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 D22 compound treatment 0.556 -0.539 -5.58 0.748 -0.298 -3.19 -6.2011 -0.9646 3212002 TimTec1_005016 N1N=C(SC=C1c2ccccc2)/N=C/c3ccco3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 D23 mock treatment 1.238 0.143 1.48 1.082 0.0358 0.38 1.3166 0.8614 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 D24 mock treatment 1.119 0.0239 0.25 1.049 0.00275 0.03 0.1959 0.7855 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 E01 compound treatment 1.261 0.166 1.72 1.286 0.24 2.56 3.0261 0.9811 1071315 TimTec1_005017 COc1ccc2c3CCCC(=O)c3ccc2c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 E02 compound treatment 0.871 -0.224 -2.32 0.896 -0.15 -1.61 -2.7762 -0.9838 1454628 TimTec1_005018 Oc1ccc(C(=O)COc2ccccc2)c(O)c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 E03 compound treatment 0.072 -1.02 -10.6 0.074 -0.972 -10.39 -14.8373 -1.0 3085938 TimTec1_005019 CCOC(=O)Nc1nc2c(Cl)cccc2s1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 E04 compound treatment 1.032 -0.0631 -0.65 0.994 -0.0522 -0.56 -0.8568 -0.9969 1030338 TimTec1_005020 COC(=O)c1nc[nH]c1C(=O)OC 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 E05 compound treatment 0.076 -1.02 -10.55 0.079 -0.967 -10.33 -14.7702 -0.9999 3085974 TimTec1_005021 CCOC(=O)n1c(=O)sc2ccccc12 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 E06 compound treatment 1.041 -0.0541 -0.56 0.986 -0.0602 -0.64 -0.8513 -0.9976 3085976 TimTec1_005022 CN1CCN(CC2CCC=CC2)CC1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 E07 compound treatment 1.079 -0.0161 -0.17 0.993 -0.0532 -0.57 -0.5201 -0.8774 1140829 TimTec1_005023 CN(C)S(=O)(=O)c1ccc(C#N)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 E08 compound treatment 1.07 -0.0251 -0.26 1.015 -0.0313 -0.33 -0.4198 -0.9923 1363499 TimTec1_005024 CCCN(CCO)CC1CCC=CC1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 E09 compound treatment 1.222 0.127 1.31 1.214 0.168 1.79 2.1966 0.9884 1427526 TimTec1_005025 O=c1c(Oc2ccccc2)coc3cc(OCc4ccccc4)ccc13 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 E10 compound treatment 1.004 -0.0911 -0.94 0.958 -0.0882 -0.94 -1.3338 -1.0 1637231 TimTec1_005026 COC1(CCCC2(CCC1)C(=O)O)C2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 E11 compound treatment 1.143 0.0479 0.5 1.119 0.0728 0.78 0.9004 0.9765 1442714 TimTec1_005027 CCOC(=O)c1ccc(o1)c2coc3cc(O)cc(O)c3c2=O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 E12 compound treatment 1.107 0.0119 0.12 1.043 -0.00325 -0.03 0.0626 0.489 1234769 TimTec1_005028 COc1ccc(cc1)c2cc(NC(=O)Nc3ccccc3)n(n2)c4ccccc4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 E13 compound treatment 1.154 0.0589 0.61 1.133 0.0868 0.93 1.0867 0.9794 1381033 TimTec1_005029 COc1cc(Cl)cc(C(=O)O)c1O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 E14 compound treatment 0.993 -0.102 -1.06 0.921 -0.125 -1.34 -1.6939 -0.9932 1056436 TimTec1_005030 CC(C)c1nc2nc(N)nc(N)c2nc1C(C)C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 E15 compound treatment 1.223 0.128 1.32 1.169 0.123 1.31 1.864 1.0 1074483 TimTec1_005031 CCN(C(=O)Nc1ccccc1)c2ccccc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 E16 compound treatment 1.089 -0.00609 -0.06 1.058 0.0118 0.13 0.0441 0.3141 3212003 TimTec1_005032 Cc1s/c(=N/c2ccccc2)/[nH]c1c3ccc(Cl)cc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 E17 compound treatment 0.048 -1.05 -10.84 0.047 -0.999 -10.68 -15.217 -1.0 3212004 TimTec1_005033 C(=N/c1cc(nn1c2ccccc2)c3ccccc3)\c4ccccc4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 E18 compound treatment 0.178 -0.917 -9.5 0.227 -0.819 -8.75 -12.9052 -0.9992 3085984 TimTec1_005034 COc1ccc(/C=C/2\C(=NC(=NC2=O)S)O)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 E19 compound treatment 1.113 0.0179 0.19 1.101 0.0548 0.58 0.5447 0.8878 3212005 TimTec1_005035 CCc1ccc(NC(=O)CSc2nncn2C)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 E20 compound treatment 1.326 0.231 2.39 1.444 0.398 4.25 4.6957 0.963 3085985 TimTec1_005036 Cc1cc(nc(N)n1)C(F)(F)F 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 E21 compound treatment 1.268 0.173 1.79 1.261 0.215 2.29 2.8886 0.9925 3212006 TimTec1_005037 Cc1ccc(cc1)C(=O)N/C(=C\C=C/c2ccccc2)/C(=O)NCC3CCCO3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 E22 compound treatment 1.351 0.256 2.65 1.365 0.319 3.41 4.282 0.9923 3085988 TimTec1_005038 Oc1ccc(/C=N\C2c3ccccc3-c4ccccc24)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 E23 mock treatment 1.082 -0.0131 -0.14 1.094 0.0478 0.51 0.2648 0.5017 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 E24 mock treatment 1.096 9.06E-4 0.01 1.087 0.0408 0.44 0.3145 0.7222 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 F01 compound treatment 0.329 -0.766 -7.93 0.305 -0.741 -7.92 -11.2101 -1.0 3212007 TimTec1_005039 C[n+]1c(/C=C/Nc2ccccc2)sc3ccccc13 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 F02 compound treatment 1.112 0.0169 0.18 1.047 7.5E-4 0.01 0.1295 0.7387 3085989 TimTec1_005040 Cn1c(=O)[nH]c(=O)c2n3CCCC(c3nc12)c4ccccc4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 F03 compound treatment 1.083 -0.0121 -0.13 1.057 0.0107 0.11 -0.0074 -0.0433 3212008 TimTec1_005041 Clc1ccc(cc1)c2nc3sc4CCCCc4c3c(=O)[nH]2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 F04 compound treatment 1.049 -0.0461 -0.48 0.993 -0.0532 -0.57 -0.7398 -0.9962 1188459 TimTec1_005042 OC(CN(Cc1ccccc1)Cc2ccccc2)Cn3c4ccccc4c5ccccc35 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 F05 compound treatment 0.047 -1.05 -10.86 0.054 -0.992 -10.6 -15.1714 -0.9999 3085992 TimTec1_005043 COC(=O)C(Cc1c[nH]c2ccccc12)/N=C/c3cc(Cl)cc(Cl)c3O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 F06 compound treatment 1.426 0.331 3.43 1.437 0.391 4.17 5.3752 0.9952 1464296 TimTec1_005044 CCCOC(=O)c1c(N)sc2CCCCc12 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 F07 compound treatment 1.066 -0.0291 -0.3 0.96 -0.0862 -0.92 -0.8646 -0.8919 3085994 TimTec1_005045 CC1(C)CC(=O)C/C(=N\CC(=O)O)/C1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 F08 compound treatment 1.167 0.0719 0.74 1.193 0.147 1.57 1.6352 0.9421 3212009 TimTec1_005046 COc1cccc(c1)c2nnc(o2)c3ccc(NC(=O)C(F)(F)F)cc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 F09 compound treatment 0.079 -1.02 -10.52 0.093 -0.953 -10.18 -14.6425 -0.9999 1692415 TimTec1_005047 COc1ccccc1C(C2=C(O)COC2=O)c3cc4OCOc4cc3O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 F10 compound treatment 1.262 0.167 1.73 1.266 0.22 2.35 2.8824 0.9887 1261046 TimTec1_005048 O=C(Nc1nccs1)c2ccccc2c3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 F11 compound treatment 0.047 -1.05 -10.86 0.047 -0.999 -10.68 -15.2243 -1.0 1427389 TimTec1_005049 Oc1cc2OCOc2cc1C(Nc3ccccn3)c4ccc5OCOc5c4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 F12 compound treatment 1.194 0.0989 1.02 1.214 0.168 1.79 1.9916 0.9648 1182617 TimTec1_005050 CC(C)(C)C(=O)C1C2CCC1C(O)C2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 F13 compound treatment 0.047 -1.05 -10.86 0.045 -1.0 -10.7 -15.2394 -1.0 1471843 TimTec1_005051 Cn1c(SCC(=O)OCC(=O)c2ccc(Br)cc2)nc3n(C)c(=O)[nH]c(=O)c13 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 F14 compound treatment 0.935 -0.16 -1.66 0.933 -0.113 -1.21 -2.028 -0.988 1227820 TimTec1_005052 CC1CCN(CC1)C(=O)COc2ccc(Br)cc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 F15 compound treatment 1.08 -0.0151 -0.16 1.028 -0.0182 -0.19 -0.2484 -0.994 1067946 TimTec1_005053 Cc1nnc(o1)c2ccccc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 F16 compound treatment 1.177 0.0819 0.85 1.13 0.0838 0.89 1.2325 0.9996 3212010 TimTec1_005054 CCOC(=O)N(c1ccccc1)S(=O)(=O)c2ccc(Cl)cc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 F17 compound treatment 1.06 -0.0351 -0.36 1.065 0.0187 0.2 -0.1154 -0.278 1743351 TimTec1_005055 CCOC(=O)CNc1nc(N)n[nH]1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 F18 compound treatment 1.176 0.0809 0.84 1.178 0.132 1.41 1.5878 0.9693 3212069 TimTec1_005056 Sc1nnc2c3cc(Br)ccc3n(CC=C)c2n1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 F19 compound treatment 1.09 -0.00509 -0.05 1.08 0.0338 0.36 0.2177 0.5973 3086039 TimTec1_005057 OC(=O)c1ccc(Sc2ccccn2)o1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 F20 compound treatment 1.019 -0.0761 -0.79 1.041 -0.00525 -0.06 -0.5969 -0.7555 3212070 TimTec1_005058 CC1SC(=NNC1=O)/N=C/c2ccc(cc2)N(C)C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 F21 compound treatment 0.468 -0.627 -6.49 0.345 -0.701 -7.49 -9.8899 -0.9975 1338088 TimTec1_005059 Cc1ccc(cc1)C(=O)CC(SC2CCCCC2)C(=O)O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 F22 compound treatment 1.109 0.0139 0.14 1.095 0.0488 0.52 0.4701 0.87 3212071 TimTec1_005060 Cc1c(/N=c/2\scc(c3ccccc3)n2c4ccccc4)c(=O)n(c5ccccc5)n1C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 F23 mock treatment 1.117 0.0219 0.23 1.15 0.104 1.11 0.9442 0.8345 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 F24 mock treatment 1.106 0.0109 0.11 1.077 0.0308 0.33 0.3122 0.8986 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 G01 compound treatment 1.118 0.0229 0.24 1.039 -0.00725 -0.08 0.113 0.4527 3086042 TimTec1_005061 CCOC(=O)C1=C(O)C(=O)N(C1)C(C)(C)C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 G02 compound treatment 0.063 -1.03 -10.69 0.059 -0.987 -10.55 -15.0165 -1.0 3212072 TimTec1_005062 CN1C(=O)N(C)C(=O)C(=Cc2ccccc2)C1=O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 G03 compound treatment 1.099 0.00391 0.04 0.968 -0.0782 -0.84 -0.5625 -0.6721 1400641 TimTec1_005063 C=CCON1C(=O)C2C3OC(C=C3)C2C1=O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 G04 compound treatment 0.981 -0.114 -1.18 0.918 -0.128 -1.37 -1.8044 -0.9973 3212073 TimTec1_005064 C[N+](C)(C)[C@H]1C(O)O[C@@H]2C(O)CO[C@H]12 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 G05 compound treatment 0.995 -0.1 -1.04 0.95 -0.0962 -1.03 -1.4601 -1.0 1411352 TimTec1_005065 C(N1CCN(CC1)C(c2ccccc2)c3ccccc3)C4(OCCO4)c5ccccc5 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 G06 compound treatment 1.058 -0.0371 -0.38 1.033 -0.0133 -0.14 -0.3718 -0.908 3212074 TimTec1_005066 CN1CCN(Cc2ccc[nH]2)CC1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 G07 compound treatment 0.566 -0.529 -5.48 0.474 -0.572 -6.11 -8.1977 -0.9985 3086046 TimTec1_005067 COc1ccc(cc1)c2nc3ccsc3c(=O)o2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 G08 compound treatment 1.107 0.0119 0.12 1.062 0.0158 0.17 0.2062 0.9883 1405970 TimTec1_005068 CN(C)CCN(CC1CC2CC1C=C2)Cc3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 G09 compound treatment 1.084 -0.0111 -0.11 1.06 0.0138 0.15 0.0226 0.1213 1084368 TimTec1_005069 OC(=O)C1CSC2(CCCCC2)N1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 G10 compound treatment 1.205 0.11 1.14 1.124 0.0778 0.83 1.3922 0.988 1144864 TimTec1_005070 CCN1C(=O)c2cccc3c(NC(=O)C)ccc1c23 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 G11 compound treatment 0.979 -0.116 -1.2 0.843 -0.203 -2.17 -2.3856 -0.9611 3212075 TimTec1_005071 Cc1[nH]cnc1C(F)(F)F 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 G12 compound treatment 0.981 -0.114 -1.18 0.897 -0.149 -1.59 -1.963 -0.9891 1717981 TimTec1_005072 Oc1ccc(=O)n(CN(c2ccccc2)c3ccccc3)n1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 G13 compound treatment 1.034 -0.0611 -0.63 0.943 -0.103 -1.1 -1.2274 -0.9652 1174597 TimTec1_005073 CCc1cc2OCCOc2cc1C(=O)CCN3CCOCC3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 G14 compound treatment 1.058 -0.0371 -0.38 0.976 -0.0702 -0.75 -0.8023 -0.9516 3086051 TimTec1_005074 CC1CC(C)(C)N=C(O1)C(=C)C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 G15 compound treatment 1.095 -9.38E-5 0.0 1.039 -0.00725 -0.08 -0.0555 -0.7159 1409343 TimTec1_005075 O=C1N(CNN2CCCc3ccccc23)C(=O)c4ccccc14 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 G16 compound treatment 1.041 -0.0541 -0.56 0.989 -0.0572 -0.61 -0.8286 -0.999 1629224 TimTec1_005076 CSc1ccc(cc1)c2[nH]c(=N)sc2c3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 G17 compound treatment 1.195 0.0999 1.03 1.171 0.125 1.33 1.6741 0.9922 1378559 TimTec1_005077 CCN(CC)c1nc(NC(C)(C)C)nc(NC(C)(C)C)n1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 G18 compound treatment 1.396 0.301 3.12 1.388 0.342 3.65 4.7854 0.9969 1733553 TimTec1_005078 Oc1nc2CCCc2c(=O)n1C3CCCCC3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 G19 compound treatment 0.985 -0.11 -1.14 1.009 -0.0372 -0.4 -1.0877 -0.9006 3086099 TimTec1_005079 Clc1ccc(SCC(=O)Nc2cccc(Cl)c2)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 G20 compound treatment 1.292 0.197 2.04 1.259 0.213 2.27 3.0492 0.9985 1367022 TimTec1_005080 Oc1ccccc1OCC(=O)Nc2ccccc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 G21 compound treatment 1.104 0.00891 0.09 1.032 -0.0142 -0.15 -0.0424 -0.2383 3212076 TimTec1_005081 O=C(NCC1CCCO1)/C(=C/c2ccccc2)/NC(=O)c3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 G22 compound treatment 1.163 0.0679 0.7 1.148 0.102 1.09 1.266 0.9778 3086101 TimTec1_005082 O=S(=O)(c1ccc(/N=C\c2ccncc2)cc1)c3ccc(/N=C\c4ccncc4)cc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 G23 mock treatment 1.072 -0.0231 -0.24 1.031 -0.0153 -0.16 -0.2843 -0.9825 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 G24 mock treatment 1.11 0.0149 0.15 1.043 -0.00325 -0.03 0.0846 0.5347 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 H01 compound treatment 0.312 -0.783 -8.11 0.279 -0.767 -8.2 -11.531 -1.0 3212077 TimTec1_005083 CC[n+]1c(/C=C/Nc2ccccc2)sc3ccccc13 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 H02 compound treatment 1.099 0.00391 0.04 1.058 0.0118 0.13 0.1174 0.8899 1673284 TimTec1_005084 CC(=C)c1cccc(c1)C(C)(C)NC(=O)NCC2CCCO2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 H03 compound treatment 1.065 -0.0301 -0.31 1.025 -0.0213 -0.23 -0.3809 -0.9879 3086104 TimTec1_005085 Clc1nc(nc2sc3CCCCc3c12)c4ccccc4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 H04 compound treatment 1.018 -0.0771 -0.8 0.943 -0.103 -1.1 -1.3446 -0.9874 3212078 TimTec1_005086 CCN1C(=O)/C(=C/2\SC(=S)N(NC(=O)c3ccccc3)C2=O)/c4ccccc14 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 H05 compound treatment 0.659 -0.436 -4.52 0.639 -0.407 -4.35 -6.2702 -0.9998 1072337 TimTec1_005087 CCCC(=O)Oc1ccc2c(C)cc(=O)oc2c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 H06 compound treatment 0.099 -0.996 -10.32 0.089 -0.957 -10.23 -14.5262 -1.0 1560027 TimTec1_005088 Cc1ccccc1C(=O)Nc2cc3CCCCc3s2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 H07 compound treatment 0.766 -0.329 -3.41 0.666 -0.38 -4.06 -5.2826 -0.9962 3086107 TimTec1_005089 OC(=O)c1ccc(/N=C/c2cccnc2)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 H08 compound treatment 1.101 0.00591 0.06 1.056 0.00975 0.1 0.1169 0.9678 1735547 TimTec1_005090 O=C1CCC(=O)N1c2ccc3c(c2)oc4ccccc43 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 H09 compound treatment 1.09 -0.00509 -0.05 1.074 0.0278 0.3 0.1723 0.5723 1148656 TimTec1_005091 COc1ccccc1C(C2=C(COC2=O)OC(=O)C)c3cc4OCOc4cc3OC(=O)C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 H10 compound treatment 1.157 0.0619 0.64 1.151 0.105 1.12 1.2447 0.9651 3212079 TimTec1_005092 Fc1ccccc1NC(=O)CSCC(=O)Nc2ccc3ccccc3c2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 H11 compound treatment 0.048 -1.05 -10.84 0.047 -0.999 -10.68 -15.217 -1.0 1232879 TimTec1_005093 COc1ccc(cc1)C(N2CCOCC2)c3cc4OCOc4cc3O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 H12 compound treatment 1.201 0.106 1.1 1.187 0.141 1.5 1.8389 0.988 1704797 TimTec1_005094 O=C(CCc1ccccc1)N2CCN(CC2)c3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 H13 compound treatment 1.45 0.355 3.68 1.458 0.412 4.4 5.7096 0.996 1531317 TimTec1_005095 CCCn1c(nc2n(C)c(=O)[nH]c(=O)c12)N3CCCCC3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 H14 compound treatment 1.128 0.0329 0.34 1.118 0.0718 0.77 0.783 0.9334 1213903 TimTec1_005096 CC(C)(C)c1ccccc1OCC(=O)Nc2ccc(OCc3ccccc3)cc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 H15 compound treatment 1.131 0.0359 0.37 1.066 0.0198 0.21 0.4122 0.964 3212080 TimTec1_005097 CSc1nc(N)c(C#N)s1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 H16 compound treatment 1.23 0.135 1.4 1.245 0.199 2.12 2.4894 0.9794 1603630 TimTec1_005098 CCOC(=O)N(c1ccc(OC)cc1)S(=O)(=O)c2ccccc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 H17 compound treatment 1.393 0.298 3.09 1.378 0.332 3.54 4.6878 0.9976 1625154 TimTec1_005099 CCn1c(=O)c(C(=O)NC)c(O)c2ccccc12 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 H18 compound treatment 1.016 -0.0791 -0.82 1.023 -0.0233 -0.25 -0.7549 -0.8819 3212081 TimTec1_005100 COc1ccc(c2n[nH]c(C)c2Oc3ccccc3)c(O)c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 H19 compound treatment 1.089 -0.00609 -0.06 1.057 0.0107 0.11 0.0366 0.2791 1424497 TimTec1_005101 CCOC(=O)C1=C(C)NC(=O)NC1c2c(Cl)nc3c(C)cccn3c2=O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 H20 compound treatment 1.158 0.0629 0.65 1.108 0.0618 0.66 0.9272 1.0 3212082 TimTec1_005102 COc1ccc(/C=N/C2=NNC(=O)CS2)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 H21 compound treatment 0.884 -0.211 -2.19 0.849 -0.197 -2.11 -3.036 -0.9998 1547308 TimTec1_005103 CC(C)(C)c1ccc(cc1)C(=O)CC(SC2CCCCC2)C(=O)O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 H22 compound treatment 1.309 0.214 2.22 1.324 0.278 2.97 3.6647 0.9896 3212083 TimTec1_005104 COc1ccc(/C=N/C2=NNC(=CS2)c3ccccc3)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 H23 mock treatment 1.081 -0.0141 -0.15 1.042 -0.00425 -0.05 -0.1353 -0.8852 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 H24 mock treatment 1.054 -0.0411 -0.43 1.075 0.0288 0.31 -0.0838 -0.1596 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 I01 compound treatment 1.212 0.117 1.21 1.227 0.181 1.93 2.2216 0.9747 1210543 TimTec1_005105 O=C(c1ccccc1)C2(OCCCCO2)c3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 I02 compound treatment 1.11 0.0149 0.15 1.038 -0.00825 -0.09 0.0468 0.2635 3212084 TimTec1_005106 CN1C(=O)/C(=C\NC(=O)C)/C(=C(C#N)C1=O)C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 I03 compound treatment 1.129 0.0339 0.35 1.117 0.0708 0.76 0.7828 0.9392 1253003 TimTec1_005107 COC(C)OC(=O)Cn1c(=O)sc2cccc(Cl)c12 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 I04 compound treatment 0.941 -0.154 -1.6 0.861 -0.185 -1.98 -2.5279 -0.9943 1054992 TimTec1_005108 Brc1ccc(C=C2C(=O)NC(=O)NC2=O)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 I05 compound treatment 0.049 -1.05 -10.83 0.065 -0.981 -10.48 -15.0737 -0.9999 3212085 TimTec1_005109 Cc1ccccc1Nc2cc(C)c(C#N)c3nc4ccccc4n23 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 I06 compound treatment 0.242 -0.853 -8.84 0.218 -0.828 -8.85 -12.5044 -1.0 1286333 TimTec1_005110 CCn1c2ccccc2c3cc(CN(C)Cc4ccccc4)ccc13 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 I07 compound treatment 1.237 0.142 1.47 1.219 0.173 1.85 2.3442 0.9936 1318051 TimTec1_005111 COc1ccc2OCc3ccccc3C(O)c2c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 I08 compound treatment 1.118 0.0229 0.24 1.1 0.0538 0.57 0.5738 0.9235 1348090 TimTec1_005112 CN(C)CCN(Cc1ccsc1)Cc2ccccc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 I09 compound treatment 0.861 -0.234 -2.42 0.782 -0.264 -2.82 -3.7106 -0.9971 1334512 TimTec1_005113 COC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C34CC5CC4CCC(C5)C3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 I10 compound treatment 1.129 0.0339 0.35 1.067 0.0208 0.22 0.4051 0.9754 1920628 TimTec1_005114 CN1/C(=C/C(=O)c2ccco2)/Sc3ccccc13 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 I11 compound treatment 0.051 -1.04 -10.81 0.055 -0.991 -10.59 -15.1346 -0.9999 3086180 TimTec1_005115 OC(=O)C(CC(=O)c1ccc(cc1)C2CCCCC2)NCc3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 I12 compound treatment 1.083 -0.0121 -0.13 1.045 -0.00125 -0.01 -0.098 -0.7781 3212145 TimTec1_005116 CCOc1ccc(cc1)c2n[nH]c(=S)[nH]2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 I13 compound treatment 1.107 0.0119 0.12 1.058 0.0118 0.13 0.176 1.0 3086182 TimTec1_005117 O=C(Nn1cnnc1)c2ccccc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 I14 compound treatment 1.05 -0.0451 -0.47 1.101 0.0548 0.58 0.0833 0.1114 3212146 TimTec1_005118 CCOc1ccc(/C=C/C(=O)Sc2ccc(Cl)cc2)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 I15 compound treatment 1.225 0.13 1.35 1.191 0.145 1.55 2.0448 0.9976 1487889 TimTec1_005119 OC(CNCN1C(=O)c2ccccc2C1=O)c3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 I16 compound treatment 1.353 0.258 2.67 1.342 0.296 3.16 4.1229 0.9965 3212147 TimTec1_005120 Cc1cc(C)c(C#N)c(SCC=C)n1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 I17 compound treatment 1.105 0.00991 0.1 1.065 0.0187 0.2 0.2142 0.9517 1921119 TimTec1_005121 CCNc1nc(OC(C(F)(F)F)C(F)(F)F)nc(n1)N(c2ccccc2)c3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 I18 compound treatment 1.142 0.0469 0.49 1.068 0.0218 0.23 0.5078 0.943 3086186 TimTec1_005122 CS/C(=N\C#N)/NC1CCCCC1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 I19 compound treatment 1.092 -0.00309 -0.03 1.077 0.0308 0.33 0.2096 0.6351 3212148 TimTec1_005123 O=C/1N(C2CCS(=O)(=O)C2)C(=S)S\C1=C/c3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 I20 compound treatment 1.239 0.144 1.49 1.19 0.144 1.54 2.1398 0.9999 1623935 TimTec1_005124 CCN(CC)c1ccc(N=C2C(=C(C#N)C#N)c3ccccc3C2=C(C#N)C#N)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 I21 compound treatment 1.257 0.162 1.68 1.231 0.185 1.97 2.5814 0.9967 3086189 TimTec1_005125 COCCN1C(=O)/C(=C\c2ccc3OCOc3c2)/SC1=S 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 I22 compound treatment 1.161 0.0659 0.68 1.062 0.0158 0.17 0.6016 0.8558 3212149 TimTec1_005126 COc1cc2CC[C@H](NC(=O)C(F)(F)F)c3cc(=O)c(O)ccc3-c2c(OC)c1OC 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 I23 mock treatment 1.125 0.0299 0.31 1.057 0.0107 0.11 0.3002 0.9088 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 I24 mock treatment 1.119 0.0239 0.25 1.078 0.0318 0.34 0.4149 0.988 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 J01 compound treatment 1.078 -0.0171 -0.18 1.006 -0.0402 -0.43 -0.4292 -0.9231 3086191 TimTec1_005127 CC(C)C1CCC(C)CC1OC(=O)CN2CCCCC2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 J02 compound treatment 1.248 0.153 1.58 1.217 0.171 1.82 2.4097 0.9975 1218294 TimTec1_005128 CC(C)(C)C(=O)NC(=S)Nc1cccc(O)c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 J03 compound treatment 1.136 0.0409 0.42 1.027 -0.0193 -0.21 0.1542 0.3273 1240106 TimTec1_005129 C(Nc1ncnc2sc3CCCCc3c12)c4ccccc4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 J04 compound treatment 1.109 0.0139 0.14 1.105 0.0588 0.63 0.5457 0.8473 1554580 TimTec1_005130 Ic1ccccc1NC(=O)C2CN(C(=O)C2)c3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 J05 compound treatment 1.126 0.0309 0.32 1.076 0.0298 0.32 0.4511 1.0 3212150 TimTec1_005131 OC(=O)C(Cc1c[nH]cn1)/N=C/c2cccc(CC=C)c2O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 J06 compound treatment 1.252 0.157 1.63 1.271 0.225 2.4 2.8469 0.9819 1532567 TimTec1_005132 CCCOc1ccccc1C2NC(=S)NC(=C2C(=O)OC3CCCC(C)C3)C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 J07 compound treatment 1.122 0.0269 0.28 1.079 0.0328 0.35 0.4444 0.9936 3086259 TimTec1_005133 O=S(=O)(C1CCS(=O)(=O)C1)C2CCS(=O)(=O)C2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 J08 compound treatment 0.914 -0.181 -1.88 0.886 -0.16 -1.71 -2.5368 -0.999 1186821 TimTec1_005134 Cc1cc(C)c(NC(=O)C2CC3C4C=CC=CC4C2c5ccccc35)c(C)c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 J09 compound treatment 1.346 0.251 2.6 1.272 0.226 2.41 3.5429 0.9993 3212151 TimTec1_005135 COc1ccccc1C2C(C)C(C)(O)Oc3cc4OCOc4cc23 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 J10 compound treatment 1.205 0.11 1.14 1.175 0.129 1.38 1.7775 0.9956 1139775 TimTec1_005136 Cc1cc(C(=O)O)c(CSc2ncn[nH]2)o1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 J11 compound treatment 1.27 0.175 1.81 1.258 0.212 2.26 2.8805 0.9939 1141408 TimTec1_005137 Cc1ccccc1Cn2cnc3ccccc3c2=O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 J12 compound treatment 0.957 -0.138 -1.43 0.952 -0.0942 -1.01 -1.7233 -0.9852 1449011 TimTec1_005138 Cc1ccc(N2C(=O)CC(=O)N(C2=O)c3ccc(C)cc3C)c(C)c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 J13 compound treatment 1.139 0.0439 0.45 1.05 0.00375 0.04 0.3499 0.7664 1586155 TimTec1_005139 CC1=C(C(C(=C(C)N1)C(=O)Nc2ccccc2)c3ccccn3)C(=O)Nc4ccccc4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 J14 compound treatment 0.645 -0.45 -4.66 0.735 -0.311 -3.33 -5.6475 -0.9863 3086263 TimTec1_005140 CC(C)c1ccc(OCC(=O)Nc2ccccc2C(F)(F)F)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 J15 compound treatment 1.214 0.119 1.23 1.177 0.131 1.4 1.8585 0.998 1332067 TimTec1_005141 CCOC(=O)c1c(C)oc(NC(=O)Nc2ccc(F)cc2)c1C(=O)OCC 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 J16 compound treatment 1.241 0.146 1.51 1.24 0.194 2.07 2.5322 0.988 1544744 TimTec1_005142 Cc1c(OCc2ccc(F)cc2)ccc3c4CCCCc4c(=O)oc13 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 J17 compound treatment 1.085 -0.0101 -0.1 1.077 0.0308 0.33 0.1584 0.4594 1496408 TimTec1_005143 CCc1nnc(NC(=O)CC(=O)Nc2ccccc2C(=O)O)s1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 J18 compound treatment 1.101 0.00591 0.06 1.125 0.0788 0.84 0.6381 0.7565 1851913 TimTec1_005144 CC(C)CC(N1C(=O)C2C(C3c4ccccc4C2c5ccccc35)C1=O)C(=O)O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 J19 compound treatment 1.215 0.12 1.24 1.126 0.0798 0.85 1.4806 0.9831 1716165 TimTec1_005145 NC(=O)c1sc(=S)n(c1N)c2ccccc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 J20 compound treatment 1.041 -0.0541 -0.56 1.047 7.5E-4 0.01 -0.3905 -0.6969 3086267 TimTec1_005146 CC1SC(=NNC1=O)/N=C/c2ccc(F)cc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 J21 compound treatment 0.054 -1.04 -10.78 0.065 -0.981 -10.48 -15.0371 -0.9999 3212152 TimTec1_005147 OC(=O)C(CC(=O)c1ccc(Cl)cc1)N(Cc2ccccc2)Cc3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 J22 compound treatment 0.162 -0.933 -9.66 0.15 -0.896 -9.57 -13.604 -1.0 3086269 TimTec1_005148 C=CCN1C(SC=C1c2ccccc2)/N=C/c3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 J23 mock treatment 1.019 -0.0761 -0.79 1.016 -0.0302 -0.32 -0.7858 -0.9225 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 J24 mock treatment 1.062 -0.0331 -0.34 1.061 0.0147 0.16 -0.1309 -0.3471 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 K01 compound treatment 0.111 -0.984 -10.19 0.088 -0.958 -10.24 -14.4459 -1.0 1023027 TimTec1_005149 Oc1ccccc1C(=O)CC(=O)c2ccccc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 K02 compound treatment 1.131 0.0359 0.37 1.076 0.0298 0.32 0.4877 0.9969 3212153 TimTec1_005150 OC[C@H]1O[C@@H](OCc2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 K03 compound treatment 1.061 -0.0341 -0.35 0.997 -0.0492 -0.53 -0.6217 -0.9812 3086271 TimTec1_005151 CC(C)NC(=O)C[n+]1csc2ccccc12 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 K04 compound treatment 1.124 0.0289 0.3 1.084 0.0378 0.4 0.4969 0.9892 1118603 TimTec1_005152 CN1CCN(Cc2cc(Br)cs2)CC1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 K05 compound treatment 0.984 -0.111 -1.15 0.909 -0.137 -1.47 -1.8504 -0.9928 3212154 TimTec1_005153 CC(O)c1cc(NC(=O)c2ccccc2)c(=O)oc1/C=C/N(C)C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 K06 compound treatment 0.921 -0.174 -1.8 0.818 -0.228 -2.44 -2.9992 -0.989 3086274 TimTec1_005154 CN(Cc1ccccc1)Cc2cccnc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 K07 compound treatment 1.24 0.145 1.5 1.228 0.182 1.94 2.4342 0.9919 3212155 TimTec1_005155 O=C(/C=C/c1cccc(Oc2ccccc2)c1)N3CCOCC3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 K08 compound treatment 1.164 0.0689 0.71 1.13 0.0838 0.89 1.1373 0.9937 1586101 TimTec1_005156 CN(C)CCN(Cc1ccccc1)Cc2ccc(Cl)cc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 K09 compound treatment 1.184 0.0889 0.92 1.15 0.104 1.11 1.4349 0.9958 1051443 TimTec1_005157 FC(F)(F)CN1C(=O)c2ccccc2C1=O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 K10 compound treatment 0.966 -0.129 -1.34 0.875 -0.171 -1.83 -2.2391 -0.9881 1698764 TimTec1_005158 COc1ccc(NCc2cn3ccccc3n2)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 K11 compound treatment 1.296 0.201 2.08 1.234 0.188 2.01 2.8896 0.9998 3212156 TimTec1_005159 N#CCCN1CCCC2(CCCC2)C1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 K12 compound treatment 1.417 0.322 3.33 1.401 0.355 3.79 5.0374 0.998 3212157 TimTec1_005160 O=C/1N=C(S\C1=C/c2cccs2)N3CCCCC3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 K13 compound treatment 0.08 -1.02 -10.51 0.084 -0.962 -10.28 -14.7031 -0.9999 1604720 TimTec1_005161 CCc1c(C)nc2ccccc2c1O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 K14 compound treatment 1.262 0.167 1.73 1.206 0.16 1.71 2.4291 1.0 3212158 TimTec1_005162 Cc1cc(C)cc(Nc2csc(N/C=N\O)n2)c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 K15 compound treatment 0.674 -0.421 -4.36 0.57 -0.476 -5.09 -6.6816 -0.9971 3086348 TimTec1_005163 OC(=O)c1ccccc1NCn2nnc3ccccc23 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 K16 compound treatment 1.124 0.0289 0.3 1.07 0.0238 0.25 0.3911 0.9966 3212159 TimTec1_005164 Clc1ccc(cc1)C2=CC=C(C#N)C(N2)SCc3nc4ccccc4[nH]3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 K17 compound treatment 1.165 0.0699 0.72 1.116 0.0698 0.75 1.0389 0.9999 1472272 TimTec1_005165 CNc1nc(nc(n1)N2CCOCC2)N(c3ccccc3)c4ccccc4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 K18 compound treatment 0.053 -1.04 -10.79 0.053 -0.993 -10.61 -15.135 -1.0 3086351 TimTec1_005166 CCCC1CCC(CC1)c2ccc(cc2)/C(=N/O)/N 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 K19 compound treatment 1.116 0.0209 0.22 1.083 0.0368 0.39 0.4307 0.9607 3212160 TimTec1_005167 NS(=O)(=O)c1ccc(cc1)c2ccc(/C=C/3\SC(=S)N(Cc4ccccc4)C3=O)o2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 K20 compound treatment 1.211 0.116 1.2 1.204 0.158 1.69 2.0405 0.9862 1130551 TimTec1_005168 COc1ccc(cc1)N(C(=O)c2ccco2)c3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 K21 compound treatment 1.188 0.0929 0.96 1.174 0.128 1.36 1.6455 0.9854 3212161 TimTec1_005169 FC(F)(F)c1ccccc1NC(NC(=O)c2ccco2)C(=O)c3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 K22 compound treatment 0.936 -0.159 -1.65 0.846 -0.2 -2.14 -2.6779 -0.9917 1915266 TimTec1_005170 Cc1cc[n+](CCC(=O)O)c2ccccc12 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 K23 mock treatment 1.094 -0.00109 -0.01 1.02 -0.0262 -0.28 -0.2063 -0.7351 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 K24 mock treatment 1.121 0.0259 0.27 1.039 -0.00725 -0.08 0.135 0.4833 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 L01 compound treatment 1.125 0.0299 0.31 1.101 0.0548 0.58 0.6326 0.9558 1383984 TimTec1_005171 CCC1=CC(C)(CC)Nc2cc(C)ccc12 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 L02 compound treatment 1.117 0.0219 0.23 1.072 0.0258 0.28 0.355 0.9954 1409216 TimTec1_005172 COc1cc(cc(OC)c1OC)C(=O)N(C)c2ccccc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 L03 compound treatment 1.103 0.00791 0.08 1.05 0.00375 0.04 0.0862 0.9459 1273531 TimTec1_005173 OCC(O)C1OC(OCC1O)c2ccccc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 L04 compound treatment 1.031 -0.0641 -0.66 0.974 -0.0722 -0.77 -1.0152 -0.9972 1385587 TimTec1_005174 Cc1ccc(cc1)N2CC(CC2=O)C(=O)Nc3c(C)cccc3C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 L05 compound treatment 0.079 -1.02 -10.52 0.077 -0.969 -10.35 -14.7633 -1.0 3212235 TimTec1_005175 OC(=O)C(Cc1ccc(O)cc1)/N=C/c2cccc3ccccc23 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 L06 compound treatment 1.264 0.169 1.75 1.245 0.199 2.12 2.7384 0.9954 3086357 TimTec1_005176 COC(=O)c1c(NC(=O)C(F)(F)F)sc2CCCCc12 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 L07 compound treatment 1.11 0.0149 0.15 0.993 -0.0532 -0.57 -0.2931 -0.4972 1333937 TimTec1_005177 O=S(=O)(C1CCS(=O)(=O)C1)N2CCOCC2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 L08 compound treatment 0.98 -0.115 -1.19 0.911 -0.135 -1.44 -1.8646 -0.9954 1533793 TimTec1_005178 Cc1ccc(NC(=O)C2C(C=CC(C2C(=O)O)c3ccccc3)c4ccccc4)cc1C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 L09 compound treatment 1.099 0.00391 0.04 1.056 0.00975 0.1 0.1023 0.9151 1611679 TimTec1_005179 COc1ccc(cc1)C(C2=C(O)CCCC2=O)c3cc4OCOc4cc3O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 L10 compound treatment 1.038 -0.0571 -0.59 0.949 -0.0972 -1.04 -1.1528 -0.9643 1081231 TimTec1_005180 O=C1N(C(=O)c2nccnc12)c3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 L11 compound treatment 1.383 0.288 2.98 1.379 0.333 3.55 4.6222 0.9962 1700569 TimTec1_005181 CCOC(=O)C1=C(O)c2ccccc2NC(=O)C1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 L12 compound treatment 0.793 -0.302 -3.13 0.807 -0.239 -2.56 -4.0197 -0.995 1371927 TimTec1_005182 Cc1cccc2c(cc(nc12)c3ccccc3)C(=O)NC(C)(C)C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 L13 compound treatment 1.308 0.213 2.21 1.293 0.247 2.64 3.4232 0.9961 3086362 TimTec1_005183 Cc1cc2ncc(nc2cc1C)c3cccs3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 L14 compound treatment 0.858 -0.237 -2.46 0.795 -0.251 -2.68 -3.6344 -0.999 1442595 TimTec1_005184 CC(C)C(N1C(=O)c2ccccc2C1=O)C(=O)Nc3ccc(I)cc3C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 L15 compound treatment 1.135 0.0399 0.41 1.064 0.0178 0.19 0.4263 0.9376 3086440 TimTec1_005185 CCOC(=O)/C(=C(/N)\c1cc2cccc(OC)c2oc1=O)/C#N 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 L16 compound treatment 1.02 -0.0751 -0.78 1.024 -0.0222 -0.24 -0.718 -0.8829 1612648 TimTec1_005186 CC1CCN(Cc2cc3c(cc(=O)oc3c(C)c2O)c4ccccc4)CC1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 L17 compound treatment 1.128 0.0329 0.34 1.11 0.0638 0.68 0.7226 0.9488 3212236 TimTec1_005187 Cn1cnnc1SCc2cccc(CSc3nncn3C)n2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 L18 compound treatment 0.745 -0.35 -3.63 0.657 -0.389 -4.16 -5.5044 -0.9977 3086444 TimTec1_005188 CCN(CC)c1ccc(/N=C/c2ccc3ccccc3n2)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 L19 compound treatment 0.934 -0.161 -1.67 0.964 -0.0822 -0.88 -1.8011 -0.9551 1589064 TimTec1_005189 Clc1c(sc2ccccc12)C(=O)N3CCCC3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 L20 compound treatment 1.094 -0.00109 -0.01 1.084 0.0378 0.4 0.2772 0.687 3212237 TimTec1_005190 CC1SC(=NNC1=O)/N=C/c2ccc(O)cc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 L21 compound treatment 0.31 -0.785 -8.13 0.294 -0.752 -8.04 -11.4323 -1.0 3086447 TimTec1_005191 CC(NC(CC(=O)c1ccc(F)cc1)C(=O)O)c2ccccc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 L22 compound treatment 1.271 0.176 1.82 1.241 0.195 2.08 2.7594 0.9978 1451936 TimTec1_005192 CCCc1cc(=O)oc2cc(OCc3ccccc3)ccc12 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 L23 mock treatment 1.071 -0.0241 -0.25 1.038 -0.00825 -0.09 -0.2388 -0.9022 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 L24 mock treatment 1.108 0.0129 0.13 1.027 -0.0193 -0.21 -0.0509 -0.2075 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 M01 compound treatment 1.078 -0.0171 -0.18 0.987 -0.0592 -0.63 -0.5728 -0.8714 3086449 TimTec1_005193 CCOC(=O)CN1CCN(CC1)C=O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 M02 compound treatment 0.053 -1.04 -10.79 0.053 -0.993 -10.61 -15.135 -1.0 3212238 TimTec1_005194 O=C(/C=C\Nc1cccc(N/C=C\C(=O)c2ccccc2)c1)c3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 M03 compound treatment 1.126 0.0309 0.32 1.156 0.11 1.17 1.0554 0.8684 1445055 TimTec1_005195 Cc1ccccc1OC(=O)Cn2c(=O)sc3ccccc23 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 M04 compound treatment 0.775 -0.32 -3.32 0.659 -0.387 -4.14 -5.2696 -0.994 1718720 TimTec1_005196 CN1CCN(Cc2coc3ccccc3c2=O)CC1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 M05 compound treatment 1.09 -0.00509 -0.05 1.026 -0.0202 -0.22 -0.1903 -0.8545 1415720 TimTec1_005197 OCC1Sc2ccccc2NC1=O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 M06 compound treatment 1.084 -0.0111 -0.11 1.003 -0.0432 -0.46 -0.408 -0.8568 1643885 TimTec1_005198 NC(=O)C1CCN(Cc2ccc(Cl)cc2)CC1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 M07 compound treatment 1.121 0.0259 0.27 1.099 0.0528 0.56 0.5882 0.9424 3212239 TimTec1_005199 COc1ccc2c3CC[C@](C)(CCC(=O)O)C(=O)c3ccc2c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 M08 compound treatment 1.037 -0.0581 -0.6 0.929 -0.117 -1.25 -1.3112 -0.9436 3086453 TimTec1_005200 Cc1ccc(C(=O)Sc2nc(N)c(C#N)cc2C#N)c(C)c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 M09 compound treatment 1.297 0.202 2.09 1.342 0.296 3.16 3.7128 0.9799 1212803 TimTec1_005201 CCOc1ccc2c(cc(=O)oc2c1)c3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 M10 compound treatment 1.072 -0.0231 -0.24 0.962 -0.0842 -0.9 -0.8056 -0.865 3086455 TimTec1_005202 COc1ccc(cc1)c2cc(nc(=O)[nH]2)c3ccc(Br)cc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 M11 compound treatment 1.055 -0.0401 -0.42 0.967 -0.0792 -0.85 -0.8923 -0.9462 1222652 TimTec1_005203 CCc1cc2OCCOc2cc1C(=O)c3ccc(I)cc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 M12 compound treatment 0.519 -0.576 -5.97 0.457 -0.589 -6.3 -8.6704 -0.9996 1107292 TimTec1_005204 CCC1SC2=NCCN2C1(O)c3ccc(Cl)cc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 M13 compound treatment 0.181 -0.914 -9.47 0.166 -0.88 -9.4 -13.344 -1.0 1431781 TimTec1_005205 CC1(C)CC2(CCCN(CCC(O)(c3ccccc3)c4ccccc4)C2)CCO1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 M14 compound treatment 1.138 0.0429 0.44 1.09 0.0438 0.47 0.6447 0.9997 1622469 TimTec1_005206 CCCCn1c(nn(c1=O)S(=O)(=O)c2ccc(Br)cc2)c3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 M15 compound treatment 1.03 -0.0651 -0.67 0.925 -0.121 -1.3 -1.3927 -0.9537 1265308 TimTec1_005207 OC(=O)c1ccccc1C(=O)Nc2cccc3ncccc23 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 M16 compound treatment 0.18 -0.915 -9.48 0.156 -0.89 -9.51 -13.4269 -1.0 3086459 TimTec1_005208 CSC1=Nc2ccccc2CN1c3ccc(Br)cc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 M17 compound treatment 1.069 -0.0261 -0.27 0.955 -0.0912 -0.97 -0.8804 -0.8703 3086461 TimTec1_005209 O=C(Nc1nc[nH]n1)Nc2cccc3ccccc23 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 M18 compound treatment 0.063 -1.03 -10.69 0.061 -0.985 -10.53 -15.0014 -1.0 1609905 TimTec1_005210 CCCC1CCC(CC1)c2ccc(cc2)C(=O)CCN(C)C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 M19 compound treatment 1.112 0.0169 0.18 1.091 0.0448 0.48 0.4619 0.9072 3212240 TimTec1_005211 Cc1ccc(cc1)C(=O)N/C(=C\c2ccco2)/C(=O)N3CCCC3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 M20 compound treatment 1.093 -0.00209 -0.02 1.024 -0.0222 -0.24 -0.1834 -0.7684 3085449 TimTec1_005212 CC[C@@]1(C)N[C@@H](CS1)C(=O)O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 M21 compound treatment 1.091 -0.00409 -0.04 1.044 -0.00225 -0.02 -0.047 -0.9639 1601693 TimTec1_005213 O=C(NC(Nc1cccc2ccccc12)C(=O)c3ccccc3)c4ccco4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 M22 compound treatment 0.87 -0.225 -2.33 0.912 -0.134 -1.43 -2.6626 -0.9728 1269343 TimTec1_005214 CC(CC(=O)c1ccccc1)CC(=O)c2ccccc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 M23 mock treatment 1.078 -0.0171 -0.18 1.022 -0.0242 -0.26 -0.3084 -0.9828 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 M24 mock treatment 1.122 0.0269 0.28 1.024 -0.0222 -0.24 0.029 0.0791 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 N01 compound treatment 0.074 -1.02 -10.58 0.076 -0.97 -10.37 -14.8075 -0.9999 3085453 TimTec1_005215 Cc1cc(C)c(CC2C(=O)c3ccccc3C2=O)cc1C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 N02 compound treatment 1.061 -0.0341 -0.35 1.062 0.0158 0.17 -0.1307 -0.3342 1524336 TimTec1_005216 O=C(NCCc1nc2ccccc2[nH]1)Nc3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 N03 compound treatment 0.962 -0.133 -1.38 0.933 -0.113 -1.21 -1.8302 -0.9979 1139245 TimTec1_005217 O=C(Cc1ccccc1)c2ccc3OCOc3c2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 N04 compound treatment 1.186 0.0909 0.94 1.207 0.161 1.72 1.8801 0.96 1718136 TimTec1_005218 O=c1oc2ccccc2cc1c3nnc(o3)c4cccc5ccccc45 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 N05 compound treatment 1.095 -9.38E-5 0.0 1.049 0.00275 0.03 0.0201 0.6834 3085456 TimTec1_005219 CC1(C)CC(=O)C2C(=Nc3ccccc3N=C2c4ccccc4)C1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 N06 compound treatment 0.874 -0.221 -2.29 0.907 -0.139 -1.49 -2.6711 -0.9782 1256766 TimTec1_005220 CC1N(c2cccc(C)c2)C3(CCCCC3)SC1=O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 N07 compound treatment 1.043 -0.0521 -0.54 0.975 -0.0712 -0.76 -0.9197 -0.9858 1496277 TimTec1_005221 NC(=O)C(C1CCS(=O)(=O)C1)C(=O)N 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 N08 compound treatment 1.053 -0.0421 -0.44 1.001 -0.0452 -0.48 -0.6501 -0.9987 1400156 TimTec1_005222 NNC(=O)C1CCCN1S(=O)(=O)c2ccc(Cl)cc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 N09 compound treatment 1.336 0.241 2.5 1.367 0.321 3.43 4.1873 0.9879 1525056 TimTec1_005223 COc1ccc(cc1)C2C3C(=O)CCCC3(O)Oc4cc5OCOc5cc24 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 N10 compound treatment 0.294 -0.801 -8.3 0.294 -0.752 -8.04 -11.5495 -0.9999 1231285 TimTec1_005224 CCN(CC)c1ccc2cc(c3ncc(o3)c4ccc(F)cc4)c(=O)oc2c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 N11 compound treatment 1.019 -0.0761 -0.79 0.968 -0.0782 -0.84 -1.1484 -0.9996 3212241 TimTec1_005225 COc1cc2CCN(C)[C@H](Cc3ccc(O)cc3)c2cc1OC 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 N12 compound treatment 0.072 -1.02 -10.6 0.081 -0.965 -10.31 -14.7844 -0.9999 1135918 TimTec1_005226 Oc1ccccc1C2=Nc3ncnn3C(C2)c4ccc(Cl)cc4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 N13 compound treatment 0.246 -0.849 -8.79 0.184 -0.862 -9.21 -12.732 -0.9997 3212242 TimTec1_005227 CCC[n+]1ccc(cc1)c2c[nH]c3ccccc23 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 N14 compound treatment 1.171 0.0759 0.79 1.14 0.0938 1.0 1.2641 0.9928 1154608 TimTec1_005228 CC(C)c1ccc(OC(=O)C(C)N2C(=O)c3ccccc3C2=O)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 N15 compound treatment 1.123 0.0279 0.29 1.051 0.00475 0.05 0.2403 0.8187 3212243 TimTec1_005229 CCOC(=O)/C(=C(/N)\c1cc2cc(Br)cc(Br)c2oc1=O)/C#N 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 N16 compound treatment 0.287 -0.808 -8.37 0.284 -0.762 -8.14 -11.6763 -0.9999 1059298 TimTec1_005230 Cc1cc2oc(=O)c3CCCCc3c2c(O)c1CN4CCCCC4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 N17 compound treatment 1.045 -0.0501 -0.52 0.977 -0.0692 -0.74 -0.89 -0.9849 1365174 TimTec1_005231 NC(=O)CNC(=O)c1cccc(Cl)c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 N18 compound treatment 1.125 0.0299 0.31 1.062 0.0158 0.17 0.338 0.9589 3085464 TimTec1_005232 CC(N1C(=O)CCC1=O)C(=O)O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 N19 compound treatment 1.085 -0.0101 -0.1 1.018 -0.0282 -0.3 -0.2873 -0.8996 3212244 TimTec1_005233 COC(=O)c1cc(Br)ccc1OC(=O)/C=C/c2ccccc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 N20 compound treatment 1.03 -0.0651 -0.67 1.042 -0.00425 -0.05 -0.5088 -0.753 3085466 TimTec1_005234 Oc1ccccc1/C=N/C2=NNC(=O)CS2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 N21 compound treatment 0.084 -1.01 -10.47 0.099 -0.947 -10.12 -14.5605 -0.9999 3212245 TimTec1_005235 Cc1ccc(/C=C/C(=O)Nc2ccccc2C(F)(F)F)c(C)c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 N22 compound treatment 1.393 0.298 3.09 1.393 0.347 3.7 4.8012 0.9959 1411087 TimTec1_005236 CCOC(=O)Cc1cc(=O)oc2cc(OCC)ccc12 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 N23 mock treatment 1.077 -0.0181 -0.19 1.022 -0.0242 -0.26 -0.3157 -0.9874 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 N24 mock treatment 1.084 -0.0111 -0.11 1.04 -0.00625 -0.07 -0.1285 -0.9667 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 O01 compound treatment 0.048 -1.05 -10.84 0.05 -0.996 -10.64 -15.1943 -1.0 3212318 TimTec1_005237 C=CCOC(=O)OCn1c(=O)sc2ccccc12 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 O02 compound treatment 0.778 -0.317 -3.28 0.665 -0.381 -4.07 -5.2023 -0.9943 3212319 TimTec1_005238 CCCCN1N=C(C)CC1=O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 O03 compound treatment 1.274 0.179 1.85 1.257 0.211 2.25 2.9023 0.9953 3212320 TimTec1_005239 O=C(Cn1c(=O)sc2ccccc12)OC(C(=O)c3ccccc3)c4ccccc4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 O04 compound treatment 1.068 -0.0271 -0.28 0.992 -0.0542 -0.58 -0.6082 -0.9446 1379879 TimTec1_005240 CN1CCN(Cc2ccc(NC(=O)C)cc2)CC1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 O05 compound treatment 1.059 -0.0361 -0.37 0.937 -0.109 -1.17 -1.0896 -0.8891 1721138 TimTec1_005241 CC1CN(CC2COC(C)(C)O2)CC(C)O1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 O06 compound treatment 0.991 -0.104 -1.08 0.941 -0.105 -1.12 -1.5574 -0.9998 1672440 TimTec1_005242 NC(=O)C1CCN(CC2CCC=CC2)CC1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 O07 compound treatment 1.437 0.342 3.54 1.231 0.185 1.97 3.8996 0.9619 1624424 TimTec1_005243 COc1cc2c3CCc4cn[nH]c4-c3ccc2c(OC)c1OC 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 O08 compound treatment 1.047 -0.0481 -0.5 1.016 -0.0302 -0.32 -0.5807 -0.9781 1736587 TimTec1_005244 Fc1ccc(cc1)C(=O)Oc2ccccc2c3cnc4ccccc4n3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 O09 compound treatment 0.736 -0.359 -3.72 0.634 -0.412 -4.4 -5.7441 -0.9965 1502476 TimTec1_005245 CC(C)C(NC(=O)OCc1ccccc1)C(=O)Oc2ccc3c(=O)c(Oc4ccccc4)coc3c2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 O10 compound treatment 1.039 -0.0561 -0.58 0.96 -0.0862 -0.92 -1.0624 -0.9753 1214549 TimTec1_005246 COc1cc(ccc1O)C2CS(=O)(=O)CS(=O)(=O)C2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 O11 compound treatment 1.216 0.121 1.25 1.237 0.191 2.04 2.3264 0.9727 1679192 TimTec1_005247 O=C(c1cccs1)c2ccc3OCCCOc3c2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 O12 compound treatment 1.103 0.00791 0.08 1.076 0.0298 0.32 0.2826 0.8612 3086118 TimTec1_005248 FC(F)(F)c1ccc2c(Cl)ccnc2c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 O13 compound treatment 1.112 0.0169 0.18 1.074 0.0278 0.3 0.3334 0.9684 1449875 TimTec1_005249 CN(C)CCC(=O)c1ccc2OCCCOc2c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 O14 compound treatment 1.26 0.165 1.71 1.27 0.224 2.39 2.898 0.9864 3086120 TimTec1_005250 S=c1[nH]c(ccc1C#N)c2cccs2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 O15 compound treatment 0.747 -0.348 -3.61 0.653 -0.393 -4.2 -5.52 -0.9971 1687305 TimTec1_005251 O=C1N(C(=O)c2ccccc12)c3ccc4ncccc4c3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 O16 compound treatment 0.043 -1.05 -10.9 0.042 -1.0 -10.73 -15.2914 -1.0 1675695 TimTec1_005252 CN1C2OC(=C(C#N)C(C2C(=O)N(C)C1=O)c3cccc(Br)c3)N 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 O17 compound treatment 0.38 -0.715 -7.41 0.98 -0.0662 -0.71 -5.7375 -0.7712 3086122 TimTec1_005253 O=C(/C=C/c1ccccc1)N2C(COC2=O)c3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 O18 compound treatment 1.036 -0.0591 -0.61 0.934 -0.112 -1.2 -1.2807 -0.9513 3212321 TimTec1_005254 CCN(CC)[P+](NC(=O)c1ccccc1)(N(CC)CC)c2ccccc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 O19 compound treatment 1.17 0.0749 0.78 1.205 0.159 1.7 1.7478 0.9372 3212322 TimTec1_005255 O=C(NC1CCCCC1)/C(=C/C=C\c2ccccc2)/NC(=O)c3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 O20 compound treatment 1.127 0.0319 0.33 1.183 0.137 1.46 1.2667 0.8457 3086125 TimTec1_005256 O[C@@H]1CO[C@@H](Nc2ccccc2)[C@H](O)[C@H]1O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 O21 compound treatment 1.093 -0.00209 -0.02 1.041 -0.00525 -0.06 -0.055 -0.9145 1457665 TimTec1_005257 OP(=O)(c1nc2ccccc2n1CC=C)c3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 O22 compound treatment 1.158 0.0629 0.65 1.111 0.0648 0.69 0.9498 0.9996 1597857 TimTec1_005258 OC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C3(CC4CC5CC(C4)C3)C5 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 O23 mock treatment 1.081 -0.0141 -0.15 1.032 -0.0142 -0.15 -0.2109 -0.9998 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 O24 mock treatment 1.098 0.00291 0.03 1.019 -0.0273 -0.29 -0.1846 -0.6306 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 P01 compound treatment 1.176 0.0809 0.84 1.059 0.0127 0.14 0.6888 0.8114 3212323 TimTec1_005259 C[n+]1cn(NC(=O)c2ccc(cc2)C(=O)ON3C(=O)CCC3=O)cn1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 P02 compound treatment 1.184 0.0889 0.92 1.162 0.116 1.24 1.5255 0.9895 3212324 TimTec1_005260 OC(=O)C(Cc1ccccc1)NCc2c(O)ccc3c4CCCCc4c(=O)oc23 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 P03 compound treatment 1.071 -0.0241 -0.25 1.097 0.0508 0.54 0.2069 0.3467 1665007 TimTec1_005261 COc1ccc(CCC(=O)c2ccc3OCCOc3c2)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 P04 compound treatment 1.345 0.25 2.59 1.365 0.319 3.41 4.2381 0.9908 3212325 TimTec1_005262 Cc1nn(c2ccccc2)c3sc(cc13)C(=O)NN4CCOCC4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 P05 compound treatment 0.599 -0.496 -5.14 0.642 -0.404 -4.32 -6.687 -0.9963 3086129 TimTec1_005263 Oc1ccc(Cl)cc1/C=N/CCc2c[nH]c3ccccc23 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 P06 compound treatment 1.122 0.0269 0.28 0.951 -0.0952 -1.02 -0.5225 -0.4952 1176935 TimTec1_005264 CC(=O)Nc1cccc(NC(=O)N2CCOCC2)c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 P07 compound treatment 1.149 0.0539 0.56 1.082 0.0358 0.38 0.6648 0.9829 3086130 TimTec1_005265 CN(N)P(=O)(c1ccccc1)c2ccccc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 P08 compound treatment 1.137 0.0419 0.43 0.982 -0.0642 -0.69 -0.1785 -0.2197 3212326 TimTec1_005266 OC(=O)c1ccccc1C(=O)Nc2ccc(/C=C/c3ccccc3)cc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 P09 compound treatment 1.171 0.0759 0.79 1.132 0.0858 0.92 1.2037 0.9971 1689960 TimTec1_005267 COc1ccc(cc1)C2C(C)C(C)(Oc3cc4OCOc4cc23)N5CCCC5 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 P10 compound treatment 0.056 -1.04 -10.76 0.05 -0.996 -10.64 -15.1357 -1.0 3212327 TimTec1_005268 CC(C)c1ccc(cc1)C2C(=C(N)SC(=C2C#N)N)C#N 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 P11 compound treatment 1.081 -0.0141 -0.15 1.173 0.127 1.35 0.8543 0.6272 1088185 TimTec1_005269 COc1cc2C=CN(C(C#N)c2cc1OC)C(=O)c3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 P12 compound treatment 1.198 0.103 1.07 1.188 0.142 1.51 1.8244 0.9852 1306739 TimTec1_005270 CC(C)CNc1ncnc2sc3CCCCc3c12 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 P13 compound treatment 1.119 0.0239 0.25 1.082 0.0358 0.38 0.4451 0.978 1251200 TimTec1_005271 O=C1CC(N2CCCc3ccccc23)C(=O)N1c4ccccc4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 P14 compound treatment 1.121 0.0259 0.27 1.143 0.0968 1.03 0.9206 0.8621 1588848 TimTec1_005272 Cc1ccc(CNc2nc3n(C)c(=O)[nH]c(=O)c3n2Cc4ccccc4C)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 P15 compound treatment 0.985 -0.11 -1.14 0.934 -0.112 -1.2 -1.6542 -0.9997 1071878 TimTec1_005273 COc1ccc(cc1)n2c(=O)c3ccccc3[nH]c2=S 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 P16 compound treatment 0.363 -0.732 -7.58 0.307 -0.739 -7.9 -10.946 -0.9998 1718803 TimTec1_005274 Cc1cc(OC(=O)CNC(=O)OCc2ccccc2)cc3oc(=O)c4ccccc4c13 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 P17 compound treatment 1.068 -0.0271 -0.28 1.034 -0.0122 -0.13 -0.291 -0.9397 1656249 TimTec1_005275 CCC(Cc1cccc(O)c1)C(=O)O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 P18 compound treatment 0.784 -0.311 -3.22 0.664 -0.382 -4.08 -5.1659 -0.9931 1501431 TimTec1_005276 Brc1ccc(cc1)N2C(=O)CC(Nc3c[nH]c(=O)[nH]c3=O)C2=O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 P19 compound treatment 0.105 -0.99 -10.25 0.082 -0.964 -10.3 -14.5351 -1.0 3212328 TimTec1_005277 OC(=O)C(CC(=O)c1ccc(cc1)C2CCCCC2)NC3CCCCC3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 P20 compound treatment 1.194 0.0989 1.02 1.188 0.142 1.51 1.7952 0.9819 3086198 TimTec1_005278 Oc1ccccc1/C=N/C2=NNC(=CS2)c3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 P21 compound treatment 1.171 0.0759 0.79 1.125 0.0788 0.84 1.1508 0.9994 3086200 TimTec1_005279 N/C(=N\S(=O)(=O)c1ccc(Cl)cc1)/c2ccccc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 P22 compound treatment 0.579 -0.516 -5.35 0.491 -0.555 -5.93 -7.9741 -0.9986 1555180 TimTec1_005280 CC(NS(=O)(=O)c1ccc(C)cc1)C(=O)Oc2cc3oc(=O)c(Cl)c(C)c3cc2Cl 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 P23 mock treatment 1.015 -0.0801 -0.83 1.037 -0.00925 -0.1 -0.6564 -0.7858 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2077 P24 mock treatment 1.039 -0.0561 -0.58 0.88 -0.166 -1.78 -1.6667 -0.8919 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 A01 compound treatment 0.976 -0.00928 -0.1 1.022 0.057 0.61 0.3629 0.5883 1333525 TimTec1_005985 COc1ccc(cc1OC)C(=O)N2CCN(CC2)S(=O)(=O)c3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 A02 compound treatment 0.705 -0.28 -2.9 0.688 -0.277 -2.96 -4.1449 -1.0 3088315 TimTec1_005986 Cc1n(Cc2ccccc2)c(O)cc3nn(c4nc5ccccc5s4)c(=O)c13 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 A03 compound treatment 1.101 0.116 1.2 1.054 0.089 0.95 1.52 0.9934 3088316 TimTec1_005987 CN(C)S(=O)(=O)c1cccc2N=S=Nc21 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 A04 compound treatment 1.206 0.221 2.29 1.178 0.213 2.28 3.2257 1.0 3088391 TimTec1_005988 COc1ccc(OC2C(N(C2=O)c3cccc(c3)C(F)(F)F)c4ccc(OC)c(OC)c4)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 A05 compound treatment 0.967 -0.0183 -0.19 0.924 -0.041 -0.44 -0.4434 -0.9297 3212090 TimTec1_005989 O=c1n(c2ccccc2n1S(=O)(=O)c3ccccc3)S(=O)(=O)c4ccccc4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 A06 compound treatment 1.11 0.125 1.29 1.103 0.138 1.47 1.9561 0.9978 3088394 TimTec1_005990 CCN(CC)c1nc(N)nc(n1)N(c2ccccc2)c3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 A07 compound treatment 0.983 -0.00228 -0.02 1.039 0.074 0.79 0.5425 0.6857 3212091 TimTec1_005991 Oc1ccc(CNCC2NCCc3ccccc23)cc1Cl 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 A08 compound treatment 1.058 0.0727 0.75 1.012 0.047 0.5 0.8878 0.9806 1871268 TimTec1_005992 COc1cc(cc(OC)c1OC)C2Sc3ccccc3NC4=C2C(=O)OC4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 A09 compound treatment 0.567 -0.418 -4.33 0.51 -0.455 -4.86 -6.5002 -0.9984 3088397 TimTec1_005993 FC(F)(F)c1ccc(cc1)C(=O)Nc2coc3ccccc23 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 A10 compound treatment 1.261 0.276 2.86 1.224 0.259 2.77 3.976 0.9999 3212092 TimTec1_005994 COc1ccccc1NC(=O)COc2nsnc2N3CCOCC3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 A11 compound treatment 0.955 -0.0303 -0.31 0.904 -0.061 -0.65 -0.6823 -0.9439 1380446 TimTec1_005995 CCc1nc2ccccc2n1C(=O)CCC(=O)O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 A12 compound treatment 1.041 0.0557 0.58 1.053 0.088 0.94 1.0731 0.9725 3212093 TimTec1_005996 O=C(CC1N(NC(=O)c2ccncc2)C(=S)N(C1=O)c3ccccc3)NCCc4ccccc4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 A13 compound treatment 0.987 0.00172 0.02 0.953 -0.012 -0.13 -0.0778 -0.6029 3088399 TimTec1_005997 CC1(C)CC(CCO1)n2nc(O)cc2N 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 A14 compound treatment 0.967 -0.0183 -0.19 0.836 -0.129 -1.38 -1.1081 -0.7968 3212094 TimTec1_005998 COc1cccc(Nc2ccc(Nc3cccc(OC)c3)nn2)c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 A15 compound treatment 1.16 0.175 1.81 1.113 0.148 1.58 2.3978 0.9977 3212095 TimTec1_005999 CCOc1ccccc1C2C(=CN(CC3(CC4CC5CC(C4)C3)C5)C=C2C(=O)OC)C(=O)OC 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 A16 compound treatment 1.148 0.163 1.69 1.142 0.177 1.89 2.529 0.9983 3088402 TimTec1_006000 Clc1ccc(NCc2cc3ccccc3[nH]c2=O)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 A17 compound treatment 0.915 -0.0703 -0.73 0.924 -0.041 -0.44 -0.8242 -0.9704 3088404 TimTec1_006001 Clc1cccc(c1)C2NCc3ccccc3-n4cccc24 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 A18 compound treatment 1.089 0.104 1.07 1.046 0.081 0.87 1.3717 0.9943 3212096 TimTec1_006002 COc1ccccc1NC(=O)Cn2nc(n(N)c2=S)C(F)(F)F 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 A19 compound treatment 1.027 0.0417 0.43 1.051 0.086 0.92 0.9554 0.9408 1610618 TimTec1_006003 CN1C(=O)C(CC(=O)Nc2ccc(F)cc2)N(NC(=O)c3cccc(F)c3)C1=S 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 A20 compound treatment 1.148 0.163 1.69 1.14 0.175 1.87 2.5139 0.9987 3088406 TimTec1_006004 O=C1N(CCc2ccccc2)C(NCCc3ccccc3)c4ccccc14 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 A21 compound treatment 0.996 0.0107 0.11 1.016 0.051 0.55 0.464 0.834 3212097 TimTec1_006005 CC1(C)CC(=O)C=C(C1)NCC2NCCc3ccccc23 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 A22 compound treatment 1.052 0.0667 0.69 1.042 0.077 0.82 1.0705 0.9962 1307924 TimTec1_006006 NCCOc1ccccc1Cc2ccccc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 A23 mock treatment 1.036 0.0507 0.53 0.952 -0.013 -0.14 0.2735 0.5034 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 A24 mock treatment 0.973 -0.0123 -0.13 0.985 0.02 0.21 0.0614 0.2466 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 B01 compound treatment 0.521 -0.464 -4.81 0.512 -0.453 -4.84 -6.822 -1.0 3212098 TimTec1_006007 CC(C)(C)c1ccc(cc1)C2CC(=O)c3cnc(N)nc3C2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 B02 compound treatment 0.94 -0.0453 -0.47 0.949 -0.016 -0.17 -0.4523 -0.9062 3088409 TimTec1_006008 CC1(C)CC(=O)C2=C(C1)N(C(=O)CC2c3cccnc3)c4ccccc4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 B03 compound treatment 1.19 0.205 2.12 1.171 0.206 2.2 3.0557 0.9998 3212099 TimTec1_006009 Brc1cccc(c1)C(=O)NCCOC2(CC3CC4CC(C3)C2)C4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 B04 compound treatment 1.086 0.101 1.04 1.055 0.09 0.96 1.4177 0.9992 3212100 TimTec1_006010 CC(=O)NC1=NN(C(=O)C)C2(S1)C(=O)N(Cc3ccccc3)c4ccccc42 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 B05 compound treatment 1.297 0.312 3.23 1.296 0.331 3.54 4.7836 0.999 3088411 TimTec1_006011 COc1cc(OC)cc(c1)C(=O)NCCOC2(CC3CC4CC(C3)C2)C4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 B06 compound treatment 1.078 0.0927 0.96 1.052 0.087 0.93 1.3365 0.9999 3212101 TimTec1_006012 COC(=O)C1C(CC(=CC1=O)Nc2ccc(F)cc2)c3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 B07 compound treatment 1.405 0.42 4.35 1.41 0.445 4.75 6.4357 0.999 3088413 TimTec1_006013 O=S(=O)(Nc1ccc2c(c1)oc3ccccc32)N4CCCC4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 B08 compound treatment 0.945 -0.0403 -0.42 0.933 -0.032 -0.34 -0.5365 -0.9951 3088482 TimTec1_006014 CCN1C(=O)/C(=C\2/C(=O)N3c4c2cc(OC(=O)c5cccs5)cc4C(=CC3(C)C)C)/SC1=S 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 B09 compound treatment 1.165 0.18 1.86 1.128 0.163 1.74 2.5478 0.9994 3088485 TimTec1_006015 Fc1ccc(cc1)N2CCN(CC2)C(=O)CSc3nnc(c4ccco4)n3CC=C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 B10 compound treatment 0.947 -0.0383 -0.4 0.909 -0.056 -0.6 -0.7032 -0.9801 3212102 TimTec1_006016 CC1Cn2c(nnc2S1)c3cccc(O)c3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 B11 compound treatment 1.171 0.186 1.92 1.117 0.152 1.62 2.5086 0.9965 3212103 TimTec1_006017 CCCC(=O)C1=C(CC(C)(C)CC1=O)NCCc2ccc(OCC)c(OCC)c2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 B12 compound treatment 0.848 -0.137 -1.42 0.818 -0.147 -1.57 -2.1156 -0.9988 3088487 TimTec1_006018 CCOc1cc2CNC(c3cccn3-c2cc1OCC)c4cccc(F)c4F 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 B13 compound treatment 0.685 -0.3 -3.11 0.559 -0.406 -4.34 -5.2659 -0.9867 1497125 TimTec1_006019 COC(=O)Cn1c(=O)oc2ccc(Cl)cc12 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 B14 compound treatment 1.13 0.145 1.5 1.137 0.172 1.84 2.3594 0.9949 3212104 TimTec1_006020 CCOc1ccc(CCN2C(=O)C3C4CC(C=C4)C3C2=O)cc1OCC 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 B15 compound treatment 1.101 0.116 1.2 1.108 0.143 1.53 1.928 0.9928 3212105 TimTec1_006021 Cn1c(=O)cc2-c3ccccc3C(=O)c4c(NS(=O)(=O)c5ccccc5)ccc1c24 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 B16 compound treatment 0.895 -0.0903 -0.94 0.751 -0.214 -2.29 -2.2775 -0.9222 3088490 TimTec1_006022 COc1cccc(Nc2ncccc2C(=O)Nc3ccc(F)cc3)c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 B17 compound treatment 1.062 0.0767 0.79 1.043 0.078 0.83 1.1513 0.9997 3212162 TimTec1_006023 Nc1nonc1c2nc3ccccc3n2CC(=O)N4CCN(CC4)c5ccc(F)cc5 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 B18 compound treatment 1.077 0.0917 0.95 1.008 0.043 0.46 0.9968 0.9445 3088492 TimTec1_006024 CC1(C)CC(=O)C(=C(C1)NCc2ccco2)C(NC(=O)c3ccncc3)(C(F)(F)F)C(F)(F)F 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 B19 compound treatment 1.063 0.0777 0.8 1.007 0.042 0.45 0.8867 0.962 3212163 TimTec1_006025 Cc1ccc(cc1)C(=O)c2oc3ccccc3c2NC(=O)CCCN4C(=O)c5ccccc5C4=O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 B20 compound treatment 1.116 0.131 1.35 1.132 0.167 1.78 2.2191 0.9907 3088494 TimTec1_006026 Clc1ccc(cc1)c2nnc3SC(=C)Cn23 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 B21 compound treatment 0.454 -0.531 -5.5 0.409 -0.556 -5.94 -8.0908 -0.9993 3212164 TimTec1_006027 CCN(Cc1ccccc1)C(=O)CSc2nc(C)c(Cl)c(C)c2C#N 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 B22 compound treatment 1.069 0.0837 0.87 1.018 0.053 0.57 1.0137 0.9787 3088496 TimTec1_006028 Fc1ccc(cc1)S(=O)(=O)NCCN2CCNC2=O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 B23 mock treatment 1.009 0.0237 0.25 0.989 0.024 0.26 0.3552 0.9998 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 B24 mock treatment 0.996 0.0107 0.11 0.937 -0.028 -0.3 -0.1328 -0.4166 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 C01 compound treatment 0.944 -0.0413 -0.43 0.955 -0.00997 -0.11 -0.3776 -0.8571 3212165 TimTec1_006029 Cc1ccc(cc1Cl)N2CCN(CC2)C(=O)C(c3ccccc3)c4ccccc4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 C02 compound treatment 1.051 0.0657 0.68 1.007 0.042 0.45 0.7988 0.9796 3212166 TimTec1_006030 FC(F)(F)c1ccccc1NC(=O)c2ccc(Cn3cnnn3)cc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 C03 compound treatment 0.991 0.00572 0.06 0.974 0.00903 0.1 0.1101 0.9726 3088498 TimTec1_006031 Nc1ccccc1C(=O)Nc2cc(cc(c2)C(=O)O)C(=O)O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 C04 compound treatment 1.414 0.429 4.44 1.475 0.51 5.45 6.9926 0.9948 3212167 TimTec1_006032 CS(=O)(=O)c1nc2ccccc2n1Cc3ccccc3F 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 C05 compound treatment 1.039 0.0537 0.56 0.989 0.024 0.26 0.5749 0.9383 3088500 TimTec1_006033 Fc1ccccc1C2CC(=O)Nc3cc4CCCc4cc23 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 C06 compound treatment 0.82 -0.165 -1.71 0.8 -0.165 -1.76 -2.4567 -0.9999 3212168 TimTec1_006034 Oc1ccccc1n2cccc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 C07 compound treatment 1.022 0.0367 0.38 1.033 0.068 0.73 0.7828 0.9543 3212169 TimTec1_006035 Fc1cccc(F)c1CNCC2NCCc3ccccc23 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 C08 compound treatment 0.991 0.00572 0.06 0.96 -0.00497 -0.05 0.0043 0.0546 3088503 TimTec1_006036 CSC1=NC2(C)CCCCC2c3c1ccc4ccccc34 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 C09 compound treatment 0.979 -0.00628 -0.07 0.947 -0.018 -0.19 -0.1817 -0.8966 3212170 TimTec1_006037 CC(=O)ON1C(C)(C)Cc2noc(N)c2C1(C)C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 C10 compound treatment 1.12 0.135 1.4 1.089 0.124 1.33 1.9236 0.9997 3212171 TimTec1_006038 C(CSc1nnc2c3ccccc3nc(c4ccccc4)n12)Oc5ccccc5 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 C11 compound treatment 0.276 -0.709 -7.35 0.253 -0.712 -7.61 -10.5728 -0.9998 1197164 TimTec1_006039 CC(C)Cc1ccc(cc1)C(C)c2nc3ccccc3[nH]2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 C12 compound treatment 1.078 0.0927 0.96 1.08 0.115 1.23 1.548 0.9926 3088505 TimTec1_006040 CCOc1cc(CN)c(cc1OCC)n2cccc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 C13 compound treatment 0.972 -0.0133 -0.14 0.968 0.00303 0.03 -0.0744 -0.5262 3088575 TimTec1_006041 Clc1ccc(c2ccccc12)S(=O)(=O)NCC3(CC4CC5CC(C4)C3)C5 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 C14 compound treatment 0.937 -0.0483 -0.5 0.926 -0.039 -0.42 -0.648 -0.9959 1249304 TimTec1_006042 Clc1ccc(NC(=O)NCCc2ccncc2)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 C15 compound treatment 0.961 -0.0243 -0.25 0.903 -0.062 -0.66 -0.6459 -0.9121 3088578 TimTec1_006043 CCc1nc2c3no[n+]([O-])c3c4no[n+]([O-])c4c2[nH]1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 C16 compound treatment 1.045 0.0597 0.62 0.994 0.029 0.31 0.6567 0.949 3212172 TimTec1_006044 CCCNC(=O)Cc1nnc[nH]1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 C17 compound treatment 1.218 0.233 2.41 1.204 0.239 2.55 3.51 0.9996 3088580 TimTec1_006045 Cc1ccc(cc1)C(=O)c2nsc(Cl)c2Cl 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 C18 compound treatment 0.939 -0.0463 -0.48 0.967 0.00203 0.02 -0.3236 -0.6744 3212173 TimTec1_006046 Cn1ccnc1SCc2cc(=O)[nH]c3ccccc23 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 C19 compound treatment 0.99 0.00472 0.05 0.944 -0.021 -0.22 -0.1238 -0.5401 3088582 TimTec1_006047 COC(=O)CC1CC(C)(C)NC(C)(C)C1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 C20 compound treatment 1.211 0.226 2.34 1.203 0.238 2.54 3.4512 0.9991 1686023 TimTec1_006048 CCOC(=O)C1=C(SCC)c2ccc(c3ccccc3)n2C1=O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 C21 compound treatment 1.037 0.0517 0.54 0.942 -0.023 -0.25 0.2053 0.3484 3212174 TimTec1_006049 O=C1CC(CC(=O)C1=CNCC2NCCc3ccccc23)c4ccco4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 C22 compound treatment 1.026 0.0407 0.42 0.983 0.018 0.19 0.4344 0.937 1535965 TimTec1_006050 Brc1ccc(cc1)S(=O)(=O)N2CCNCC2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 C23 mock treatment 0.977 -0.00828 -0.09 0.96 -0.00497 -0.05 -0.0982 -0.9734 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 C24 mock treatment 1.066 0.0807 0.84 1.003 0.038 0.41 0.8784 0.9451 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 D01 compound treatment 0.987 0.00172 0.02 0.951 -0.014 -0.15 -0.0929 -0.6184 3088585 TimTec1_006051 C/C(=N\S(=O)(=O)c1ccc(C)cc1)/Nc2ccc(O)c(C)c2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 D02 compound treatment 0.961 -0.0243 -0.25 0.953 -0.012 -0.13 -0.2682 -0.9508 3212175 TimTec1_006052 Cn1c(SCSc2nc3n(C)c(=O)n(C)c(=O)c3n2C)nc4n(C)c(=O)n(C)c(=O)c14 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 D03 compound treatment 1.162 0.177 1.83 1.227 0.262 2.8 3.2736 0.9788 3088587 TimTec1_006053 Cc1ccc(OCc2ccccc2C(=O)Nc3nccs3)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 D04 compound treatment 0.924 -0.0613 -0.63 0.928 -0.037 -0.39 -0.7281 -0.9739 3212176 TimTec1_006054 O=C1N2C(N(Cc3ccccc3)S(=O)(=O)c4ccccc24)c5ccccc15 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 D05 compound treatment 1.038 0.0527 0.55 1.029 0.064 0.68 0.8698 0.9938 3088589 TimTec1_006055 Brc1cncc(c1)C(=O)NCCOc2ccc3ccccc3c2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 D06 compound treatment 1.091 0.106 1.09 1.047 0.082 0.88 1.3939 0.9939 3212177 TimTec1_006056 COC(=O)C1C(CC(=CC1=O)Nc2cc(OC)ccc2OC)c3ccc(OC)cc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 D07 compound treatment 0.647 -0.338 -3.5 0.608 -0.357 -3.81 -5.174 -0.9991 3212178 TimTec1_006057 CS(=O)(=O)N1CCc2cc(ccc12)S(=O)(=O)Nc3ccc4C(=O)OCc4c3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 D08 compound treatment 0.943 -0.0423 -0.44 1.002 0.037 0.4 -0.0299 -0.0507 3088591 TimTec1_006058 Cc1ccccc1NC(=O)C2C3N4C(=O)CSC4=NC2(C)Oc5ccccc35 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 D09 compound treatment 1.177 0.192 1.99 1.265 0.3 3.21 3.6706 0.9735 3212179 TimTec1_006059 CC(=C1C(=O)CC(CC1=O)c2ccccc2)NCCc3c(C)[nH]c4ccc(OC(F)(F)F)cc34 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 D10 compound treatment 0.784 -0.201 -2.08 0.74 -0.225 -2.4 -3.1736 -0.9975 3212180 TimTec1_006060 OCCCn1c(cn2c(c(nc12)c3ccccc3)c4ccccc4)c5ccccc5 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 D11 compound treatment 0.561 -0.424 -4.39 0.522 -0.443 -4.73 -6.4535 -0.9993 1303635 TimTec1_006061 S=C(NCc1ccccc1)N2CCN(Cc3ccc4OCOc4c3)CC2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 D12 compound treatment 0.937 -0.0483 -0.5 0.944 -0.021 -0.22 -0.512 -0.9344 3212181 TimTec1_006062 CCOc1cc2CNC(C3CCCCC3)c4cccn4-c2cc1OCC 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 D13 compound treatment 1.098 0.113 1.17 1.035 0.07 0.75 1.3545 0.9769 3088595 TimTec1_006063 COc1ccc(cc1)C(=O)N(CC(=O)Nc2nn(nc2C(=O)N)c3ccccc3)Cc4ccccc4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 D14 compound treatment 1.166 0.181 1.87 1.171 0.206 2.2 2.8799 0.9967 3212182 TimTec1_006064 CC(C1CC(=O)N(C1=O)c2ccc(OC(F)(F)F)cc2)c3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 D15 compound treatment 1.07 0.0847 0.88 1.052 0.087 0.93 1.2779 0.9996 3212183 TimTec1_006065 COc1nc(NCCC2=CCCCC2)nc(n1)N3CC4CC(C3)c5cccc(=O)n5C4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 D16 compound treatment 0.065 -0.92 -9.53 0.065 -0.9 -9.61 -13.5383 -1.0 3087442 TimTec1_006066 Oc1cccc(/C=N/N2CCCCC2)c1O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 D17 compound treatment 1.077 0.0917 0.95 1.085 0.12 1.28 1.5784 0.9891 3212184 TimTec1_006067 CC1=C(C(c2ccc(C)o2)n3c(N1)nc4ccccc34)C(=O)c5ccccc5 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 D18 compound treatment 0.966 -0.0193 -0.2 0.925 -0.04 -0.43 -0.4431 -0.9401 1863683 TimTec1_006068 COc1cccc(CNC2(CC3CC4CC(C3)C2)C4)c1OCc5ccccc5F 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 D19 compound treatment 0.278 -0.707 -7.33 0.216 -0.749 -8.0 -10.8377 -0.999 3212185 TimTec1_006069 COc1ccc(cc1)C2C3C(SC(=C2C#N)N)C(=O)N(C3=O)c4ccc(Br)cc4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 D20 compound treatment 0.419 -0.566 -5.87 0.403 -0.562 -6.0 -8.3924 -0.9999 3087446 TimTec1_006070 Clc1ccc(CN2COc3ccc(Cl)cc3C2)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 D21 compound treatment 1.071 0.0857 0.89 1.008 0.043 0.46 0.9528 0.9531 3212186 TimTec1_006071 CN(C(=O)CSc1nc(C)c(C)c(C)c1C#N)c2ccccc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 D22 compound treatment 1.092 0.107 1.11 1.102 0.137 1.46 1.8167 0.9904 1200722 TimTec1_006072 O=C1NCCN1CCNS(=O)(=O)c2ccc3ccccc3c2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 D23 mock treatment 0.996 0.0107 0.11 1.011 0.046 0.49 0.4262 0.8455 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 D24 mock treatment 1.07 0.0847 0.88 1.008 0.043 0.46 0.9455 0.9545 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 E01 compound treatment 1.163 0.178 1.84 1.13 0.165 1.76 2.5482 0.9998 1327534 TimTec1_006073 CCNc1nc(NCC)n2c(SCC(=O)N(c3ccccc3)c4ccccc4)nnc2n1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 E02 compound treatment 0.93 -0.0553 -0.57 0.938 -0.027 -0.29 -0.6086 -0.9495 3212187 TimTec1_006074 O=C(NCCc1ccncc1)NC2CCCCC2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 E03 compound treatment 0.93 -0.0553 -0.57 0.926 -0.039 -0.42 -0.6992 -0.9877 3087449 TimTec1_006075 CCCn1ncc(C(=O)O)c1C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 E04 compound treatment 1.078 0.0927 0.96 1.103 0.138 1.47 1.7217 0.9784 3212246 TimTec1_006076 O=C(CSc1nnc2sc3ccccc3n12)N4CCc5ccccc5C4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 E05 compound treatment 0.358 -0.627 -6.5 0.292 -0.673 -7.19 -9.6777 -0.9987 3087451 TimTec1_006077 Cc1ccc(cc1)N2COc3ccc(Cl)cc3C2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 E06 compound treatment 1.233 0.248 2.57 1.221 0.256 2.74 3.7483 0.9995 3212247 TimTec1_006078 NC1=C(C#N)C(C2=C(O1)c3ccccc3CC2)c4ccccc4Cl 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 E07 compound treatment 1.02 0.0347 0.36 1.013 0.048 0.51 0.6171 0.9849 3087453 TimTec1_006079 FC(F)(F)c1ccccc1CNCC2NCCc3ccccc23 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 E08 compound treatment 0.779 -0.206 -2.14 0.707 -0.258 -2.76 -3.4595 -0.9921 3212248 TimTec1_006080 Cc1ccc(OCCNC(=O)c2ccccc2N)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 E09 compound treatment 1.14 0.155 1.6 1.107 0.142 1.52 2.206 0.9996 3087455 TimTec1_006081 Cc1ccc(cc1)c2ccc(CCC(=O)O)n2c3ccccc3C(F)(F)F 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 E10 compound treatment 0.962 -0.0233 -0.24 0.984 0.019 0.2 -0.0267 -0.0848 3212249 TimTec1_006082 CC(=O)N1CCc2ccccc2C1CNC3=CC(=O)CC(C)(C)C3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 E11 compound treatment 0.392 -0.593 -6.14 0.165 -0.8 -8.55 -10.3881 -0.9869 3087457 TimTec1_006083 COC(=O)c1sc(OC)c(c1O)C(F)(F)F 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 E12 compound treatment 0.891 -0.0943 -0.98 0.838 -0.127 -1.36 -1.6496 -0.987 3212250 TimTec1_006084 Cc1[nH]c2ccccc2c1CCNC3=CC(=O)CC(C)(C)C3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 E13 compound treatment 1.417 0.432 4.47 1.424 0.459 4.9 6.6293 0.9989 3087459 TimTec1_006085 Cc1cc(C)c2c(O)nn(C3CCCC3)c2n1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 E14 compound treatment 0.959 -0.0263 -0.27 0.952 -0.013 -0.14 -0.2904 -0.9509 3212251 TimTec1_006086 NC(=O)CCN1CCn2c1nc3ccccc23 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 E15 compound treatment 0.98 -0.00528 -0.05 0.975 0.01 0.11 0.0371 0.3084 3212252 TimTec1_006087 Cc1ccc(C)c(c1)N/2C(=O)CS\C2=C(\C#N)/S(=O)(=O)c3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 E16 compound treatment 0.974 -0.0113 -0.12 0.909 -0.056 -0.6 -0.5054 -0.8296 1724768 TimTec1_006088 CCCn1c(nc2ccccc12)c3ccc(OC)c(OC)c3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 E17 compound treatment 0.991 0.00572 0.06 0.991 0.026 0.28 0.2385 0.8389 1293720 TimTec1_006089 CCc1ccccc1NC(=O)CSc2nc3n(C)c(=O)n(C)c(=O)c3n2C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 E18 compound treatment 0.992 0.00672 0.07 0.933 -0.032 -0.34 -0.1923 -0.5517 3212253 TimTec1_006090 CC(C)CC1(NC(C2C1C(=O)N(C(C)C)C2=O)c3ccccc3O)C(=O)O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 E19 compound treatment 1.071 0.0857 0.89 1.07 0.105 1.12 1.4212 0.9933 3087463 TimTec1_006091 Clc1cccc(c1)C(=O)N2CCNC2=O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 E20 compound treatment 1.342 0.357 3.69 1.385 0.42 4.49 5.7855 0.9953 3087465 TimTec1_006092 O=C1C(=C(N2CCCCC2)c3cc4CCCCc4n13)C#N 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 E21 compound treatment 1.104 0.119 1.23 1.058 0.093 0.99 1.5722 0.9944 3087466 TimTec1_006093 COC(=O)c1cc(=O)nc2sc3ccccc3n12 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 E22 compound treatment 1.046 0.0607 0.63 1.041 0.076 0.81 1.019 0.992 1602387 TimTec1_006094 OC(=O)c1cccc(c1)S(=O)(=O)N2CCc3ccccc3C2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 E23 mock treatment 0.977 -0.00828 -0.09 0.962 -0.00297 -0.03 -0.0831 -0.9085 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 E24 mock treatment 1.088 0.103 1.06 1.0 0.035 0.37 1.0169 0.9017 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 F01 compound treatment 0.368 -0.617 -6.39 0.298 -0.667 -7.13 -9.5591 -0.9985 1511411 TimTec1_006095 Cc1ccc2oc(=O)c(CCC(=O)O)nc2c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 F02 compound treatment 1.225 0.24 2.48 1.22 0.255 2.72 3.6822 0.9989 3087806 TimTec1_006096 CC(=O)Nc1nonc1c2nc3ccccc3n2Cc4ccccn4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 F03 compound treatment 0.982 -0.00328 -0.03 0.915 -0.05 -0.53 -0.4015 -0.7506 3212254 TimTec1_006097 OCCNC(=O)c1cccc(Cl)c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 F04 compound treatment 0.164 -0.821 -8.51 0.158 -0.807 -8.62 -12.1107 -1.0 3212255 TimTec1_006098 Fc1ccccc1Cn2cnc3ccccc23 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 F05 compound treatment 0.889 -0.0963 -1.0 0.897 -0.068 -0.73 -1.2186 -0.9879 3087807 TimTec1_006099 COc1ccccc1NC(=O)c2ccccc2NS(=O)(=O)N3CCCC3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 F06 compound treatment 1.053 0.0677 0.7 1.018 0.053 0.57 0.8966 0.9944 3212256 TimTec1_006100 CCOC(=O)C1C(CC(=CC1=O)Nc2ccc(cc2)C(F)(F)F)c3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 F07 compound treatment 1.212 0.227 2.35 1.216 0.251 2.68 3.5567 0.9978 3212257 TimTec1_006101 O=C(N1CCc2ccccc2C1)c3ccccc3C(=O)c4ccccc4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 F08 compound treatment 0.941 -0.0443 -0.46 0.939 -0.026 -0.28 -0.5205 -0.971 3212258 TimTec1_006102 CC12CCC3C(CCC4CCCCC43C)C2C/C(=C\c5ccc[nH]5)/C1=O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 F09 compound treatment 1.145 0.16 1.65 1.155 0.19 2.03 2.6052 0.9948 3087808 TimTec1_006103 CCc1c2C(=O)CCCc2nn1c3cc(Cl)ccc3OC 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 F10 compound treatment 0.837 -0.148 -1.54 0.819 -0.146 -1.56 -2.1886 -1.0 3087809 TimTec1_006104 C/C=C/C1OC23CCCCC3C(C#N)(C(=N)O2)C1(C#N)C#N 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 F11 compound treatment 1.002 0.0167 0.17 0.986 0.021 0.22 0.2813 0.9917 3212259 TimTec1_006105 FC(F)(F)c1nnc2ccc(nn12)n3ccnc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 F12 compound treatment 0.153 -0.832 -8.62 0.135 -0.83 -8.87 -12.365 -0.9999 3087810 TimTec1_006106 COC(=O)CC1=NN(C(=O)C1)c2ccccc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 F13 compound treatment 1.062 0.0767 0.79 1.032 0.067 0.72 1.0682 0.9987 3212260 TimTec1_006107 COC(=O)C1C(=CN(CCc2ccccc2)C=C1C(=O)OC)C(=O)OC 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 F14 compound treatment 1.1 0.115 1.19 1.048 0.083 0.89 1.4674 0.9896 3212261 TimTec1_006108 Clc1cccc(NC(=S)NC2(CC3CC4CC(C3)C2)C4)c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 F15 compound treatment 1.036 0.0507 0.53 1.03 0.065 0.69 0.8627 0.9905 3212262 TimTec1_006109 COc1ccc(CCNc2nc(Cl)nc(n2)N3CC4CC(C3)c5cccc(=O)n5C4)cc1OC 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 F16 compound treatment 1.111 0.126 1.3 1.121 0.156 1.67 2.0994 0.9925 3087811 TimTec1_006110 CC1CCCCN1C(=S)NCc2ccccc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 F17 compound treatment 1.119 0.134 1.38 1.109 0.144 1.54 2.0673 0.9986 3087812 TimTec1_006111 CC(=O)Oc1cc(OC(=O)C)c(cc1Cl)C2(C)CC(C)(C)c3cc(Cl)c(OC(=O)C)cc3O2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 F18 compound treatment 1.034 0.0487 0.5 1.03 0.065 0.69 0.8481 0.9877 3212263 TimTec1_006112 COc1cccc(c1)C2C(=C(C)Nc3nc4ccccc4n23)C(=O)c5ccccc5 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 F19 compound treatment 1.006 0.0207 0.21 0.974 0.00903 0.1 0.22 0.9349 3212264 TimTec1_006113 FC(F)(F)COC(=O)C1CCCCC1C(=O)NCC2(CC3CC4CC(C3)C2)C4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 F20 compound treatment 0.443 -0.542 -5.62 0.467 -0.498 -5.32 -7.7332 -0.9996 3087813 TimTec1_006114 Clc1ccc(CCN2COc3ccc(Cl)cc3C2)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 F21 compound treatment 1.372 0.387 4.01 1.377 0.412 4.4 5.9447 0.9989 3087814 TimTec1_006115 CCCN(CCC)S(=O)(=O)c1ccc(OC)c2ncccc12 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 F22 compound treatment 1.211 0.226 2.34 1.294 0.329 3.52 4.1386 0.9804 3212265 TimTec1_006116 CCOC(=O)c1nnn(c1C)c2cccnc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 F23 mock treatment 1.031 0.0457 0.47 0.974 0.00903 0.1 0.403 0.834 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 F24 mock treatment 0.986 7.19E-4 0.01 0.988 0.023 0.25 0.1792 0.7282 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 G01 compound treatment 0.991 0.00572 0.06 0.999 0.034 0.36 0.299 0.8116 1567525 TimTec1_006117 Ic1ccc(cc1)N(Cc2nnc3CCCCCn23)C(=O)Nc4ccccc4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 G02 compound treatment 1.316 0.331 3.43 1.32 0.355 3.79 5.104 0.9987 3087815 TimTec1_006118 Fc1ccccc1C(=O)N2C=Cc3ccccc3C2C#N 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 G03 compound treatment 1.341 0.356 3.68 1.33 0.365 3.9 5.3626 0.9996 3212266 TimTec1_006119 Cc1[nH]c2ccccc2c1CCNC(=O)NC(=O)c3ccc(cc3)C(F)(F)F 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 G04 compound treatment 1.026 0.0407 0.42 0.986 0.021 0.22 0.4571 0.9565 3087816 TimTec1_006120 CCOC(=O)c1oc2ccc(Cl)cc2c1NC(=O)CCCN3C(=O)c4ccccc4C3=O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 G05 compound treatment 1.304 0.319 3.3 1.292 0.327 3.49 4.8046 0.9996 3212267 TimTec1_006121 COCc1cc(C)nc2sc(C(=O)OC)c(n3cccc3)c12 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 G06 compound treatment 1.236 0.251 2.6 1.244 0.279 2.98 3.944 0.9976 3212268 TimTec1_006122 Cc1cnc-2c(c1)/C(=N\c3ccccc3)/c4ccccc42 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 G07 compound treatment 1.156 0.171 1.77 1.134 0.169 1.81 2.5272 0.9999 3087817 TimTec1_006123 CN(C)S(=O)(=O)c1cc(C(=O)NCCc2c(C)n(C)c3ccccc23)c(Cl)cc1Cl 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 G08 compound treatment 1.074 0.0887 0.92 1.113 0.148 1.58 1.768 0.9666 3212269 TimTec1_006124 CC(=O)N1C(CC(=O)C(C1c2ccccc2)c3ccccc3)c4ccccc4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 G09 compound treatment 0.583 -0.402 -4.17 0.522 -0.443 -4.73 -6.2924 -0.998 3212270 TimTec1_006125 C(c1ccccc1)n2ncc3c4nc(nn4cnc23)c5ccncc5 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 G10 compound treatment 0.71 -0.275 -2.85 0.633 -0.332 -3.55 -4.5238 -0.9941 3087818 TimTec1_006126 COc1ccc(cc1)C(=O)c2coc3ccc(O)c(CN4CCCC4)c23 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 G11 compound treatment 1.078 0.0927 0.96 1.051 0.086 0.92 1.3289 0.9998 3212271 TimTec1_006127 CC1(C)Cc2ccccc2C(=N1)c3sc4nc(cc(c4c3N)C(F)(F)F)c5cccs5 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 G12 compound treatment 0.826 -0.159 -1.65 0.799 -0.166 -1.77 -2.4203 -0.9994 3087819 TimTec1_006128 CCOC(=O)C1(C2C1(C)C(=O)c3ccc(Br)cc3)C(=O)OC2(C)C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 G13 compound treatment 1.404 0.419 4.34 1.384 0.419 4.48 6.232 0.9999 3212272 TimTec1_006129 CC(C)n1nc(O)c2c(C)cc(C)nc12 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 G14 compound treatment 0.623 -0.362 -3.75 0.579 -0.386 -4.12 -5.5689 -0.9989 3087821 TimTec1_006130 C1COc2cc(/N=C/3\CCCCCN3)ccc2O1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 G15 compound treatment 1.403 0.418 4.33 1.328 0.363 3.88 5.8016 0.9985 3212330 TimTec1_006131 CCN1C(=C(C(=O)OC)/C(=C/c2ccc(OC)cc2)/C1=O)C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 G16 compound treatment 1.503 0.518 5.36 1.498 0.533 5.69 7.8182 0.9995 3212331 TimTec1_006132 CCOc1nc(NC(=O)NS(=O)(=O)c2cccc(Cl)c2)nc(n1)c3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 G17 compound treatment 1.045 0.0597 0.62 1.014 0.049 0.52 0.8077 0.9966 1578073 TimTec1_006133 Cn1c(SCc2ccc(F)cc2)nc3n(C)c(=O)n(C)c(=O)c13 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 G18 compound treatment 1.06 0.0747 0.77 1.021 0.056 0.6 0.9705 0.9919 3212332 TimTec1_006134 FC(F)(F)COC(=O)C1CCCCC1C(=O)NCCc2ccccc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 G19 compound treatment 0.969 -0.0163 -0.17 0.933 -0.032 -0.34 -0.3607 -0.9471 3087826 TimTec1_006135 COc1cccc(c1)C(=O)NN2C(CC(=O)N)C(=O)N(C2=S)c3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 G20 compound treatment 0.984 -0.00128 -0.01 0.973 0.00803 0.09 0.0513 0.5907 3212333 TimTec1_006136 COC(=O)C1CCCNC1=O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 G21 compound treatment 0.969 -0.0163 -0.17 0.898 -0.067 -0.72 -0.6251 -0.8505 3212334 TimTec1_006137 CCc1ccc(cc1)C2NCc3ccccc3-n4cccc24 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 G22 compound treatment 0.984 -0.00128 -0.01 0.94 -0.025 -0.27 -0.198 -0.7414 3087829 TimTec1_006138 CCOC(=O)C1CC(=NO1)CC2OCCO2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 G23 mock treatment 0.978 -0.00728 -0.08 0.92 -0.045 -0.48 -0.393 -0.8082 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 G24 mock treatment 1.042 0.0567 0.59 1.014 0.049 0.52 0.7858 0.9984 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 H01 compound treatment 1.101 0.116 1.2 1.036 0.071 0.76 1.3841 0.9757 3212335 TimTec1_006139 CCC(=O)C1=C(CCCC1=O)NCCc2c(C)[nH]c3ccccc23 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 H02 compound treatment 1.125 0.14 1.45 1.129 0.164 1.75 2.2624 0.9955 3087831 TimTec1_006140 CCn1cc(C(=O)O)c(=O)c2cnc(nc12)N3CCN(CC3)C(=S)NC 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 H03 compound treatment 0.955 -0.0303 -0.31 0.957 -0.00797 -0.09 -0.282 -0.8677 3212336 TimTec1_006141 Clc1ccc(cc1Cl)S(=O)(=O)N2CCCC2C(=O)N3CCOCC3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 H04 compound treatment 0.957 -0.0283 -0.29 0.962 -0.00297 -0.03 -0.2295 -0.7791 3087877 TimTec1_006142 CN(c1ccccc1)c2nc(nc(n2)n3ccnc3)n4ccnc4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 H05 compound treatment 1.288 0.303 3.14 1.291 0.326 3.48 4.6799 0.9986 3087880 TimTec1_006143 COC(=O)/C=C/CSc1nnc(o1)c2ccc(Cl)cc2Cl 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 H06 compound treatment 1.15 0.165 1.71 1.149 0.184 1.97 2.5965 0.9975 3212337 TimTec1_006144 CCOC(=O)C1C(CC(=CC1=O)Nc2sc3CCCCc3c2C#N)c4cccc(OC)c4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 H07 compound treatment 0.763 -0.222 -2.3 0.74 -0.225 -2.4 -3.3273 -0.9998 3087882 TimTec1_006145 CCc1ccc(OCC(=O)Nc2ccc3C(=O)OCc3c2)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 H08 compound treatment 1.04 0.0547 0.57 1.022 0.057 0.61 0.8316 0.9993 3212338 TimTec1_006146 Cc1nc2ccccc2nc1CSc3nnc(Cc4ccccc4)n3c5ccccc5 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 H09 compound treatment 1.193 0.208 2.15 0.949 -0.016 -0.17 1.4006 0.649 3087884 TimTec1_006147 CCCCc1c2C(=O)CC(Cc2nn1c3ccccc3F)c4ccccc4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 H10 compound treatment 0.961 -0.0243 -0.25 0.92 -0.045 -0.48 -0.5175 -0.9544 3212339 TimTec1_006148 COC1OC2COC(C2O)C1O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 H11 compound treatment 0.99 0.00472 0.05 0.969 0.00403 0.04 0.065 0.998 1214251 TimTec1_006149 CC(O)Cn1c(O)cc(C)c(C#N)c1=O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 H12 compound treatment 1.229 0.244 2.52 1.199 0.234 2.5 3.5528 1.0 3212340 TimTec1_006150 Oc1ccccc1N2CCN(CC2)C(=S)NCc3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 H13 compound treatment 0.935 -0.0503 -0.52 0.923 -0.042 -0.45 -0.6853 -0.9972 3212341 TimTec1_006151 CCN(CC)C(=O)NC(=O)c1c(C)cc(Cl)nc1Cl 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 H14 compound treatment 0.775 -0.21 -2.18 0.768 -0.197 -2.1 -3.0279 -0.9999 1411377 TimTec1_006152 CN(C1CCCCC1)C(=S)NCCc2ccccc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 H15 compound treatment 1.212 0.227 2.35 1.229 0.264 2.82 3.6549 0.9958 3212342 TimTec1_006153 COC(=O)C1=CN(CCOC2(CC3CC4CC(C3)C2)C4)C=C(C1c5cccc(F)c5)C(=O)OC 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 H16 compound treatment 1.117 0.132 1.36 1.122 0.157 1.68 2.1509 0.9947 1662088 TimTec1_006154 CC1CCCCN1C(=S)NCCc2ccccc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 H17 compound treatment 0.773 -0.212 -2.2 0.722 -0.243 -2.6 -3.3901 -0.9966 3212343 TimTec1_006155 Sc1nc(c(c2ccccc2)n1CC(=O)c3ccccc3)c4ccccc4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 H18 compound treatment 1.124 0.139 1.44 1.106 0.141 1.51 2.0813 0.9997 3087889 TimTec1_006156 Cc1cc2nc([nH]c2cc1C)S(=O)(=O)Cc3cccc(c3)C(F)(F)F 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 H19 compound treatment 1.144 0.159 1.64 1.129 0.164 1.75 2.4015 0.9995 3212344 TimTec1_006157 CCc1nc(N2CCCCC2)c3sc(=S)n(c4ccccc4)c3n1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 H20 compound treatment 1.226 0.241 2.49 1.199 0.234 2.5 3.5308 1.0 3212345 TimTec1_006158 N#Cc1nc(nc(n1)N2CCCC2)N(c3ccccc3)c4ccccc4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 H21 compound treatment 1.045 0.0597 0.62 1.042 0.077 0.82 1.0193 0.9901 3087892 TimTec1_006159 CN(C)c1nc(Oc2ccc(O)nn2)nc(n1)N3CCCCC3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 H22 compound treatment 1.155 0.17 1.76 1.113 0.148 1.58 2.3612 0.9986 3212346 TimTec1_006160 CCOc1ccc(CC(=C2C(=O)CC(C)(C)CC2=O)Nc3ccccc3O)cc1OCC 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 H23 mock treatment 1.027 0.0417 0.43 0.998 0.033 0.35 0.5551 0.9949 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 H24 mock treatment 1.01 0.0247 0.26 0.99 0.025 0.27 0.3701 0.9998 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 I01 compound treatment 0.898 -0.0873 -0.9 0.742 -0.223 -2.38 -2.3236 -0.912 1646660 TimTec1_006161 CC1(C)CC(CC(C)(C)N1)NC(=O)NC2CCCCC2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 I02 compound treatment 0.908 -0.0773 -0.8 0.867 -0.098 -1.05 -1.306 -0.9912 3212347 TimTec1_006162 CCOC(=O)C1CCCc2c1[nH]c3ccc(cc23)C(=O)OCC 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 I03 compound treatment 1.012 0.0267 0.28 1.006 0.041 0.44 0.5056 0.9754 3212348 TimTec1_006163 CCCS(=O)(=O)c1c(C(=O)c2ccc(F)cc2)n3ccc(CC)cc3c1S(=O)(=O)CCC 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 I04 compound treatment 1.084 0.0987 1.02 1.13 0.165 1.76 1.9697 0.9664 1516298 TimTec1_006164 CCOC(=O)c1c(CC(C#N)(c2ccccc2)c3ccccc3)oc4ccc(OC)cc14 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 I05 compound treatment 1.342 0.357 3.69 1.441 0.476 5.09 6.2085 0.9877 3212349 TimTec1_006165 Cc1cc(C)c2c(c(sc2n1)C(=O)Oc3ccccc3)n4cccc4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 I06 compound treatment 0.674 -0.311 -3.22 0.597 -0.368 -3.93 -5.0594 -0.9952 3087896 TimTec1_006166 Cc1ccc(cc1)c2ccc(N)cc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 I07 compound treatment 0.91 -0.0753 -0.78 0.904 -0.061 -0.65 -1.0119 -0.996 3087898 TimTec1_006167 CN(C1CCN(C)CC1)C(=O)c2ccccc2F 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 I08 compound treatment 1.45 0.465 4.81 1.587 0.622 6.65 8.1023 0.9875 1801410 TimTec1_006168 CCC(Sc1ncccn1)C(=O)Nc2cc(C)on2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 I09 compound treatment 0.633 -0.352 -3.65 0.535 -0.43 -4.59 -5.828 -0.9935 3087935 TimTec1_006169 FC(F)(F)c1nc2sc3ccccc3n2c(=N)c1C#N 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 I10 compound treatment 0.41 -0.575 -5.96 0.383 -0.582 -6.22 -8.6094 -0.9998 3087938 TimTec1_006170 Cc1nc(Cl)c2sc(=S)n(c3ccccc3)c2n1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 I11 compound treatment 0.864 -0.121 -1.26 0.885 -0.08 -0.85 -1.4923 -0.9824 3212350 TimTec1_006171 Cc1cc(NC(=O)C2CC(=O)OC2c3ccccc3)no1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 I12 compound treatment 1.037 0.0517 0.54 1.022 0.057 0.61 0.8096 0.9979 3212351 TimTec1_006172 CC1(C)CC(=O)c2cnc(NC3OC(=O)c4ccccc34)nc2C1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 I13 compound treatment 1.223 0.238 2.46 1.284 0.319 3.41 4.151 0.9873 1875964 TimTec1_006173 CSc1nc2n(ncc2c(=O)n1N)c3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 I14 compound treatment 0.992 0.00672 0.07 0.945 -0.02 -0.21 -0.1016 -0.453 3212352 TimTec1_006174 Fc1ccccc1N2CCN(CC2)C(=O)c3cc4cccc(CC=C)c4oc3=O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 I15 compound treatment 1.417 0.432 4.47 1.435 0.47 5.02 6.7124 0.9983 3087941 TimTec1_006175 COc1ccc(cc1OC)C2NCC3(C)CN2CC(C)C3O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 I16 compound treatment 0.971 -0.0143 -0.15 1.007 0.042 0.45 0.2129 0.4504 3212353 TimTec1_006176 COc1ccc(OC)c2C(=O)NC(C)(C)Cc12 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 I17 compound treatment 0.116 -0.869 -9.0 0.152 -0.813 -8.69 -12.5076 -0.9998 3087943 TimTec1_006177 Cc1nc(c(C)s1)c2c[nH]c3ccccc23 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 I18 compound treatment 1.028 0.0427 0.44 1.004 0.039 0.42 0.6077 0.9996 1418925 TimTec1_006178 Cc1c(C#N)c(=O)n(nc1C(=O)NN)c2ccccc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 I19 compound treatment 1.061 0.0757 0.78 1.017 0.052 0.56 0.9476 0.9858 3087945 TimTec1_006179 CCOc1cc(NC(=O)c2ccc(OC)cc2)c(C#N)cc1OCC 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 I20 compound treatment 1.037 0.0517 0.54 0.98 0.015 0.16 0.4923 0.8804 3212354 TimTec1_006180 OC(=O)c1cc2nc(cc(n2n1)C(F)(F)F)C3CC3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 I21 compound treatment 1.248 0.263 2.72 1.205 0.24 2.56 3.7373 0.9996 3212355 TimTec1_006181 CCOC(=O)c1c(C)nc2-c3ccccc3C(=O)c2c1c4ccc(OC)c(OC)c4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 I22 compound treatment 1.202 0.217 2.24 1.148 0.183 1.96 2.9698 0.9976 3087948 TimTec1_006182 Cc1nn(C(=O)c2ccc(cc2)C(C)(C)C)c(N)c1c3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 I23 mock treatment 0.988 0.00272 0.03 0.966 0.00103 0.01 0.0277 0.9161 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 I24 mock treatment 0.935 -0.0503 -0.52 1.011 0.046 0.49 -0.0205 -0.0286 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 J01 compound treatment 1.08 0.0947 0.98 1.069 0.104 1.11 1.4796 0.9981 3212356 TimTec1_006183 O=c1[nH]c2ccc(cc2s1)S(=O)(=O)N3CCCC3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 J02 compound treatment 1.197 0.212 2.19 1.199 0.234 2.5 3.3185 0.9979 3087950 TimTec1_006184 CCn1cc(C(=O)O)c(=O)c2cc(F)c(cc12)N3CCN(CC3)C(=S)NC 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 J03 compound treatment 0.98 -0.00528 -0.05 0.992 0.027 0.29 0.1655 0.5632 3212357 TimTec1_006185 Nn1c(S)nnc1C(O)c2ccccc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 J04 compound treatment 0.944 -0.0413 -0.43 0.931 -0.034 -0.36 -0.5589 -0.9967 3212416 TimTec1_006186 Cc1ccc(NC(=O)NC(NC(=O)Cc2ccccc2)(C(F)(F)F)C(F)(F)F)cc1C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 J05 compound treatment 1.041 0.0557 0.58 1.072 0.107 1.14 1.2166 0.9499 3087952 TimTec1_006187 Cc1ccc(o1)C(=O)CSc2nnc(c3cccs3)n2C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 J06 compound treatment 0.869 -0.116 -1.2 0.877 -0.088 -0.94 -1.5161 -0.9925 1171228 TimTec1_006188 CN(CCc1ccccn1)C(=S)Nc2ccc(Cl)cc2Cl 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 J07 compound treatment 0.953 -0.0323 -0.33 0.951 -0.014 -0.15 -0.3419 -0.9339 3087954 TimTec1_006189 CN(C)c1ccc(cc1)C(N2CCOCC2)P(=O)(c3ccccc3)c4ccccc4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 J08 compound treatment 1.209 0.224 2.32 1.135 0.17 1.82 2.9229 0.9927 3212417 TimTec1_006190 CC(C)C1OC(OCC1(C)C)c2cccc(NC(=O)c3ccc(F)cc3)c2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 J09 compound treatment 1.3 0.315 3.26 1.346 0.381 4.07 5.1832 0.9939 3212418 TimTec1_006191 CCOc1ccc(CCNC2=C(C(=O)CC)C(=O)CC(C2)c3ccccc3)cc1OCC 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 J10 compound treatment 0.872 -0.113 -1.17 0.851 -0.114 -1.22 -1.6906 -0.9998 3087957 TimTec1_006192 Cc1nc(SCC(=O)NCc2ccc(Cl)cc2)c(C#N)c(C)c1Cl 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 J11 compound treatment 1.085 0.0997 1.03 1.118 0.153 1.63 1.8863 0.9755 3212419 TimTec1_006193 CCC(CC)NS(=O)(=O)c1cccc(c1)C(=O)NCCOc2ccccc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 J12 compound treatment 0.956 -0.0293 -0.3 0.872 -0.093 -0.99 -0.9167 -0.8828 3087958 TimTec1_006194 NC(Cn1ccnc1)c2ccccc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 J13 compound treatment 0.898 -0.0873 -0.9 0.849 -0.116 -1.24 -1.5153 -0.988 3087960 TimTec1_006195 Cc1cc(Cl)nc(Cl)c1C(=O)NC(=O)NC(C)(C)C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 J14 compound treatment 1.145 0.16 1.65 1.082 0.117 1.25 2.0538 0.9905 3212420 TimTec1_006196 Cc1ccc(NC(=S)Nc2ccc(cc2)N3CCOCC3)cc1C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 J15 compound treatment 1.064 0.0787 0.82 1.05 0.085 0.91 1.2188 0.9985 3212421 TimTec1_006197 Cc1nc2cccc(C(=O)N3CCN(CC3)c4ccccc4)c2o1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 J16 compound treatment 1.253 0.268 2.77 1.233 0.268 2.86 3.9854 0.9999 3087985 TimTec1_006198 COc1ccc(OCc2nc(N)nc(Nc3ccc(C)cc3)n2)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 J17 compound treatment 1.196 0.211 2.18 1.194 0.229 2.45 3.2734 0.9984 3212422 TimTec1_006199 CC(C)OC(=O)C1CC=CCC1C(=O)NCCc2c(C)[nH]c3ccc(OC(F)(F)F)cc23 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 J18 compound treatment 1.048 0.0627 0.65 1.026 0.061 0.65 0.9204 1.0 3087987 TimTec1_006200 Cc1cc(nn1CC(=O)Nc2ccc(CC#N)cc2)C(F)(F)F 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 J19 compound treatment 0.974 -0.0113 -0.12 0.943 -0.022 -0.23 -0.2486 -0.9481 3212423 TimTec1_006201 CCc1nc(N2CCc3ccccc23)c4sc(=S)n(c5ccccc5)c4n1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 J20 compound treatment 1.151 0.166 1.72 1.118 0.153 1.63 2.3697 0.9997 3212424 TimTec1_006202 Cc1cc(C=C2C(=O)OC(C)(OC2=O)C(C)(C)C)c(C)n1c3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 J21 compound treatment 1.047 0.0617 0.64 1.041 0.076 0.81 1.0264 0.993 3087990 TimTec1_006203 COc1ccc(cc1)C2(CNC(=O)c3ccco3)CCOCC2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 J22 compound treatment 1.014 0.0287 0.3 0.974 0.00903 0.1 0.2785 0.8908 3212425 TimTec1_006204 OC(=O)CC(C(=O)O)c1ccc(F)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 J23 mock treatment 0.95 -0.0353 -0.37 0.964 -9.69E-4 -0.01 -0.2657 -0.7268 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 J24 mock treatment 0.985 -2.81E-4 0.0 0.955 -0.00997 -0.11 -0.0774 -0.7262 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 K01 compound treatment 1.141 0.156 1.61 1.07 0.105 1.12 1.9338 0.9843 3087991 TimTec1_006205 CC1CCc2nc(SC3CC(=O)C4OCC3O4)nc(c2C1)C(F)(F)F 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 K02 compound treatment 0.96 -0.0253 -0.26 0.948 -0.017 -0.18 -0.3133 -0.9839 3212426 TimTec1_006206 CCOC(=O)Cc1nnc(NC(=O)C(CC)Sc2nnc3c4ccccc4n(C)c3n2)s1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 K03 compound treatment 0.961 -0.0243 -0.25 0.916 -0.049 -0.52 -0.5477 -0.9437 3087993 TimTec1_006207 C=CCNC(=O)c1scc2OCCOc12 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 K04 compound treatment 0.694 -0.291 -3.02 0.744 -0.221 -2.36 -3.8025 -0.9926 3212427 TimTec1_006208 Brc1cccc(c1)C2CC(=O)Oc3c2c(=O)oc4ccccc34 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 K05 compound treatment 0.049 -0.936 -9.7 0.046 -0.919 -9.82 -13.799 -1.0 3087996 TimTec1_006209 CC(C)COC(=O)n1n[n+]([O-])c2ccccc12 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 K06 compound treatment 1.045 0.0597 0.62 1.107 0.142 1.52 1.5103 0.9217 3212428 TimTec1_006210 COc1ccccc1n2c(cn3c2nc4n(C)c(=O)n(C)c(=O)c43)c5ccccc5 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 K07 compound treatment 1.046 0.0607 0.63 1.048 0.083 0.89 1.0719 0.9858 3087998 TimTec1_006211 O=C(NCc1ccco1)c2scc3OCCOc23 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 K08 compound treatment 0.882 -0.103 -1.07 0.891 -0.074 -0.79 -1.3152 -0.9889 3212429 TimTec1_006212 OC(=O)CCN1C(=O)c2ccncc2C1=O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 K09 compound treatment 0.827 -0.158 -1.64 0.803 -0.162 -1.73 -2.3827 -0.9996 3088000 TimTec1_006213 CC1(C)OC(C)(C)/C(=C/c2c(Cl)cccc2Cl)/C1=O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 K10 compound treatment 0.902 -0.0833 -0.86 0.822 -0.143 -1.53 -1.6899 -0.9634 1872861 TimTec1_006214 CC(=O)N(CCc1ccc(C)[n+]([O-])c1)c2ccccc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 K11 compound treatment 1.15 0.165 1.71 1.168 0.203 2.17 2.7401 0.9929 3212430 TimTec1_006215 CN(C(=O)c1cc2nc(cc(n2n1)C(F)(F)F)c3ccco3)c4ccc(OC(F)(F)F)cc4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 K12 compound treatment 1.023 0.0377 0.39 1.008 0.043 0.46 0.6013 0.9967 3088002 TimTec1_006216 OCCN1CCN(CC1)c2c(c3ccccc3)c4cc(Cl)ccc4[nH]c2=O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 K13 compound treatment 0.929 -0.0563 -0.58 0.924 -0.041 -0.44 -0.7217 -0.99 3212431 TimTec1_006217 CC1CN(C)C(C)CC1n2nc(O)cc2N 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 K14 compound treatment 0.046 -0.939 -9.73 0.048 -0.917 -9.8 -13.8058 -1.0 3088004 TimTec1_006218 OC1(CCCCC1)C(=O)/C=C/c2ccc(Cl)cc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 K15 compound treatment 0.791 -0.194 -2.01 0.719 -0.246 -2.63 -3.2809 -0.9913 3212432 TimTec1_006219 CC1CCCC(C)N1C(=O)c2scc3OCCOc23 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 K16 compound treatment 1.079 0.0937 0.97 1.072 0.107 1.14 1.4949 0.9967 3212433 TimTec1_006220 FC(F)(F)c1ccc(cc1)C(=O)Nc2ccccc2NC(=O)c3cccs3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 K17 compound treatment 0.316 -0.669 -6.93 0.273 -0.692 -7.39 -10.1288 -0.9995 1594831 TimTec1_006221 c1[nH]c2ccccc2c1c3csc(n3)c4ccncc4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 K18 compound treatment 0.971 -0.0143 -0.15 0.96 -0.00497 -0.05 -0.1421 -0.9044 3212434 TimTec1_006222 CC(C)Nc1nc(nc(n1)N2CC3CC(C2)c4cccc(=O)n4C3)N5CCCC5 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 K19 compound treatment 1.316 0.331 3.43 1.308 0.343 3.66 5.0134 0.9994 3212435 TimTec1_006223 CCOc1nc(NC(=O)NC(=O)c2cccs2)nc(n1)c3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 K20 compound treatment 0.808 -0.177 -1.84 0.789 -0.176 -1.88 -2.6276 -0.9999 3088048 TimTec1_006224 CC1C(C)C(=O)CCN1C(C)(C)C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 K21 compound treatment 0.935 -0.0503 -0.52 0.948 -0.017 -0.18 -0.4964 -0.9003 3212436 TimTec1_006225 O=C(NCCc1nc(cs1)c2ccccc2)c3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 K22 compound treatment 1.112 0.127 1.31 1.127 0.162 1.73 2.152 0.9907 3088051 TimTec1_006226 Fc1ccccc1/C=C(\C#N)/c2ccccc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 K23 mock treatment 0.967 -0.0183 -0.19 0.998 0.033 0.35 0.1156 0.2888 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 K24 mock treatment 1.03 0.0447 0.46 0.954 -0.011 -0.12 0.2446 0.5121 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 L01 compound treatment 0.163 -0.822 -8.52 0.143 -0.822 -8.78 -12.2313 -0.9999 3212437 TimTec1_006227 O=C(Nc1ccc2n(cnc2c1)C3CCCCC3)c4cc5ccccc5o4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 L02 compound treatment 0.922 -0.0633 -0.66 0.898 -0.067 -0.72 -0.9693 -0.999 3088053 TimTec1_006228 O=C1CCCN1CCc2ccccn2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 L03 compound treatment 0.812 -0.173 -1.79 0.815 -0.15 -1.6 -2.4019 -0.9984 3212438 TimTec1_006229 Cc1cccc(NC(=O)c2ccccc2N)n1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 L04 compound treatment 1.067 0.0817 0.85 1.063 0.098 1.05 1.339 0.9944 3212439 TimTec1_006230 CC1(C)CC(=O)C2=C(C1)N(C(=O)CC2c3cccs3)c4ccccc4C(F)(F)F 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 L05 compound treatment 0.848 -0.137 -1.42 0.879 -0.086 -0.92 -1.6548 -0.9776 3088056 TimTec1_006231 Oc1ccc(cc1)c2cnc3ccncc3n2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 L06 compound treatment 0.906 -0.0793 -0.82 0.872 -0.093 -0.99 -1.2829 -0.9955 1621990 TimTec1_006232 COc1cccc(NC(=S)N(C)C2CCN(C)CC2)c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 L07 compound treatment 0.916 -0.0693 -0.72 0.881 -0.084 -0.9 -1.1417 -0.9939 3212440 TimTec1_006233 CN(c1ccccc1N(C)S(=O)(=O)c2ccccc2)S(=O)(=O)c3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 L08 compound treatment 0.915 -0.0703 -0.73 0.904 -0.061 -0.65 -0.9753 -0.9985 3212441 TimTec1_006234 O=C1CC(CN1)c2ccc(cc2)S(=O)(=O)N3CCCCC3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 L09 compound treatment 0.909 -0.0763 -0.79 0.868 -0.097 -1.04 -1.2912 -0.9911 3088059 TimTec1_006235 Fc1ccc(cc1)N2C(=O)CC(C3=C2CCCC3=O)c4ccccc4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 L10 compound treatment 0.473 -0.512 -5.31 0.575 -0.39 -4.17 -6.6976 -0.9928 3212442 TimTec1_006236 Cc1cc(Cl)nc(Cl)c1C(=O)NC(=O)NCc2ccccc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 L11 compound treatment 0.875 -0.11 -1.14 0.83 -0.135 -1.44 -1.8272 -0.9933 3088060 TimTec1_006237 CC(=O)N1CCc2[nH]c3ccc(C)cc3c2C1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 L12 compound treatment 0.677 -0.308 -3.19 0.668 -0.297 -3.17 -4.5011 -1.0 3212739 TimTec1_006238 COc1ccc(/C=N/N2CCOCC2)cc1O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 L13 compound treatment 1.103 0.118 1.22 1.115 0.15 1.6 1.9955 0.9909 1849557 TimTec1_006239 Nc1c(sc2sc(C(=O)Nc3ccccc3)c(N)c12)C(=O)Nc4ccccc4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 L14 compound treatment 0.934 -0.0513 -0.53 0.963 -0.00197 -0.02 -0.3904 -0.7345 3088062 TimTec1_006240 CC1CCc2c(C1)sc3nc(SCc4nc5ccccc5nc4C)n(C)c(=O)c23 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 L15 compound treatment 1.028 0.0427 0.44 1.039 0.074 0.79 0.8721 0.9623 3212740 TimTec1_006241 CCC1C(N(C2=C(C(=O)CC(C)(C)C2)C1=O)c3ccc(OC)cc3)c4ccccc4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 L16 compound treatment 1.082 0.0967 1.0 1.048 0.083 0.89 1.3356 0.9982 3088064 TimTec1_006242 CC1=Nc2ccccc2N=C(NC(=O)CSC(=S)N3CCCCC3)C1c4ccccc4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 L17 compound treatment 0.98 -0.00528 -0.05 0.905 -0.06 -0.64 -0.4917 -0.7647 3212741 TimTec1_006243 S=c1sc2c(ncnc2n1c3ccccc3)N4CCN(C/C=C/c5ccccc5)CC4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 L18 compound treatment 1.293 0.308 3.19 1.312 0.347 3.71 4.8751 0.9972 3212742 TimTec1_006244 C=CCNc1nc(nc(n1)n2ccnc2)N(c3ccccc3)c4ccccc4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 L19 compound treatment 0.974 -0.0113 -0.12 1.033 0.068 0.73 0.4313 0.5859 3088067 TimTec1_006245 COc1ccc(cc1OC)S(=O)(=O)N(C)CC(=O)NCc2ccccc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 L20 compound treatment 1.153 0.168 1.74 1.18 0.215 2.3 2.8527 0.9905 3212743 TimTec1_006246 CCC1CCCCN1C(=S)NCc2ccccc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 L21 compound treatment 1.009 0.0237 0.25 1.023 0.058 0.62 0.6121 0.9179 3088068 TimTec1_006247 COc1ccc(cc1)C2(CNS(=O)(=O)c3ccc(C)cc3)CCOCC2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 L22 compound treatment 1.012 0.0267 0.28 1.039 0.074 0.79 0.7549 0.901 3212744 TimTec1_006248 COc1cc(OC)c(cc1OC)C(=O)N2CCCC2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 L23 mock treatment 0.974 -0.0113 -0.12 1.01 0.045 0.48 0.2576 0.5202 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 L24 mock treatment 0.931 -0.0543 -0.56 0.957 -0.00797 -0.09 -0.4577 -0.805 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 M01 compound treatment 0.904 -0.0813 -0.84 0.882 -0.083 -0.89 -1.222 -0.9997 3212745 TimTec1_006249 NC(=O)CCN1C(=O)C2C3CC(C=C3)C2C1=O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 M02 compound treatment 0.771 -0.214 -2.22 0.765 -0.2 -2.14 -3.0799 -0.9998 1680974 TimTec1_006250 OC(=O)CCc1ccc([nH]1)c2ccc(F)cc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 M03 compound treatment 1.333 0.348 3.6 1.321 0.356 3.8 5.2361 0.9996 1682582 TimTec1_006251 COc1ccc(cc1OC)C2(CCCC2)C(=O)NC3CCCCC3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 M04 compound treatment 0.916 -0.0693 -0.72 0.942 -0.023 -0.25 -0.6809 -0.8979 1457689 TimTec1_006252 CC(=O)Nc1nonc1NC(=O)CSc2ncccn2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 M05 compound treatment 1.127 0.142 1.47 1.106 0.141 1.51 2.1033 0.9999 1008263 TimTec1_006253 O=C(Nc1ccccc1)Nc2ccccn2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 M06 compound treatment 1.036 0.0507 0.53 1.015 0.05 0.53 0.7494 1.0 3212746 TimTec1_006254 CCC1(CN(CC2(CC)CN(C1)C(=O)c3ccc(OC)cc3)C(=O)c4ccc(OC)cc4)C2=O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 M07 compound treatment 0.896 -0.0893 -0.92 0.866 -0.099 -1.06 -1.4015 -0.9978 3088136 TimTec1_006255 Nc1n/c(=N\c2ccccc2)/n3c4ccccc4sc3n1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 M08 compound treatment 1.189 0.204 2.11 1.264 0.299 3.19 3.7509 0.9797 1134094 TimTec1_006256 O=c1[nH]c2ccccc2n1CCOc3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 M09 compound treatment 0.898 -0.0873 -0.9 0.972 0.00703 0.08 -0.5861 -0.6461 3088138 TimTec1_006257 NC(=O)CN(Cc1ccccc1F)S(=O)(=O)c2ccc(Cl)cc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 M10 compound treatment 0.496 -0.489 -5.07 0.304 -0.661 -7.06 -8.5764 -0.9868 3212747 TimTec1_006258 CC1(C)Cc2ccccc2C(=N1)CSc3nnc4c5ccccc5[nH]c4n3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 M11 compound treatment 0.307 -0.678 -7.02 0.231 -0.734 -7.84 -10.512 -0.9985 3212748 TimTec1_006259 FC(F)(F)c1cc(nc2cc(nn12)C(=O)OCC3CCCN4CCCCC34)c5ccco5 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 M12 compound treatment 0.829 -0.156 -1.62 0.785 -0.18 -1.92 -2.5041 -0.9963 3088141 TimTec1_006260 CC1(C)CC(=O)c2c(n[nH]c2C1)c3cccnc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 M13 compound treatment 0.955 -0.0303 -0.31 0.91 -0.055 -0.59 -0.637 -0.9568 3212749 TimTec1_006261 COc1cc(Br)cc2cc(C(=O)N3CCN(CC3)c4cc(C)ccc4C)c(=O)oc12 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 M14 compound treatment 1.073 0.0877 0.91 1.098 0.133 1.42 1.6474 0.9766 3088143 TimTec1_006262 Clc1ccc(cc1)N2Cc3ccccc3OCC2=O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 M15 compound treatment 0.754 -0.231 -2.4 0.714 -0.251 -2.68 -3.5897 -0.9984 3212750 TimTec1_006263 Cc1cc(C)c2c(N)c(sc2n1)C3=NC(C)(C)Cc4ccccc34 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 M16 compound treatment 0.979 -0.00628 -0.07 0.949 -0.016 -0.17 -0.1666 -0.9126 3088145 TimTec1_006264 Brc1ccc(cc1)C23OC(=O)C4(CCCC4)C3OC(=O)C52CCCC5 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 M17 compound treatment 1.129 0.144 1.49 1.108 0.143 1.53 2.133 0.9999 3212751 TimTec1_006265 Cc1cc2nc(SCCOC(=O)Nc3ccc(Cl)cc3)nc(C)c2cc1C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 M18 compound treatment 0.886 -0.0993 -1.03 0.858 -0.107 -1.14 -1.5352 -0.9986 3088147 TimTec1_006266 Cc1ccc(cc1C)N2CCN(CC2)C(=O)C(c3ccccc3)c4ccccc4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 M19 compound treatment 0.947 -0.0383 -0.4 0.911 -0.054 -0.58 -0.688 -0.9833 3212752 TimTec1_006267 O=C1CC(C2COC1O2)n3nnnc3c4ccccc4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 M20 compound treatment 0.971 -0.0143 -0.15 0.936 -0.029 -0.31 -0.3234 -0.9429 3212753 TimTec1_006268 Nc1ccc(cc1)C(O)C(O)CO 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 M21 compound treatment 0.913 -0.0723 -0.75 0.889 -0.076 -0.81 -1.1032 -0.9992 3212754 TimTec1_006269 CCCCN1C(=O)C2C(NC(C)(C2C1=O)C(=O)O)c3ccccc3O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 M22 compound treatment 0.973 -0.0123 -0.13 1.032 0.067 0.72 0.4164 0.5725 3088149 TimTec1_006270 CCOc1cc2CNC(c3cccn3-c2cc1OCC)c4cc(C)c(OC)cc4C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 M23 mock treatment 1.033 0.0477 0.49 0.922 -0.043 -0.46 0.0249 0.0369 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 M24 mock treatment 0.96 -0.0253 -0.26 0.973 0.00803 0.09 -0.1245 -0.4518 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 N01 compound treatment 0.962 -0.0233 -0.24 0.895 -0.07 -0.75 -0.6991 -0.89 3212755 TimTec1_006271 CC(C)(C)c1ccc(CNC(=O)C2CCCN2C(=O)Nc3ccccc3)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 N02 compound treatment 0.956 -0.0293 -0.3 0.948 -0.017 -0.18 -0.3426 -0.9697 1352036 TimTec1_006272 CNC(=O)C1Cc2ccccc2CN1S(=O)(=O)c3cccs3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 N03 compound treatment 0.82 -0.165 -1.71 0.846 -0.119 -1.27 -2.1092 -0.9893 3212756 TimTec1_006273 Clc1ccccc1CS(=O)(=O)N2CCN(Cc3ccc4OCOc4c3)CC2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 N04 compound treatment 0.302 -0.683 -7.08 0.333 -0.632 -6.75 -9.7781 -0.9997 3212757 TimTec1_006274 Cc1cc(Cl)ccc1OCC(=O)NCC2(CC3CC4CC(C3)C2)C4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 N05 compound treatment 0.883 -0.102 -1.06 0.873 -0.092 -0.98 -1.4438 -0.9993 1090623 TimTec1_006275 COC(=O)c1ccc(cc1)S(=O)(=O)N 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 N06 compound treatment 1.101 0.116 1.2 1.107 0.142 1.52 1.9204 0.9932 3088153 TimTec1_006276 CCN(C1CCCCC1)C(=S)NCc2ccccc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 N07 compound treatment 1.312 0.327 3.38 1.319 0.354 3.78 5.0672 0.9985 3212758 TimTec1_006277 CSc1nc2ccc(cc2s1)S(=O)(=O)N3CCc4ccccc34 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 N08 compound treatment 1.12 0.135 1.4 1.155 0.19 2.03 2.4222 0.9833 3088155 TimTec1_006278 Clc1cccc(c1)n2c(=O)n3CCCn3c2=O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 N09 compound treatment 0.998 0.0127 0.13 0.965 3.12E-5 0.0 0.0934 0.7089 3212759 TimTec1_006279 COC(=O)c1ccc(NC(=O)CSc2nc(=O)cc(N)n2CCc3ccccc3)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 N10 compound treatment 0.941 -0.0443 -0.46 0.897 -0.068 -0.73 -0.8377 -0.9754 3088223 TimTec1_006280 FC(F)(F)c1ccccc1C2NCc3ccccc3-n4cccc24 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 N11 compound treatment 1.283 0.298 3.08 1.341 0.376 4.02 5.021 0.9915 3212760 TimTec1_006281 COc1ccc(cc1OC)C2NC(=O)C(=C(S)N2c3ccccc3)C#N 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 N12 compound treatment 1.08 0.0947 0.98 1.069 0.104 1.11 1.4796 0.9981 3088227 TimTec1_006282 CCC(=O)Nc1cccc(Oc2nc(C)cc(C)c2C#N)c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 N13 compound treatment 0.767 -0.218 -2.26 0.79 -0.175 -1.87 -2.9203 -0.9955 3212761 TimTec1_006283 FC(F)(F)C(=O)Nc1c(nnn1Cc2ccccc2)C(=O)Nc3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 N14 compound treatment 0.951 -0.0343 -0.36 0.984 0.019 0.2 -0.1073 -0.2622 3212762 TimTec1_006284 CN1C2=C(C(NC1=O)c3ccccc3)C(=O)N(CCc4ccccc4)C2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 N15 compound treatment 0.918 -0.0673 -0.7 0.917 -0.048 -0.51 -0.8551 -0.9886 3088229 TimTec1_006285 COc1cc2nc(NC(=N)N)nc(O)c2cc1OC 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 N16 compound treatment 1.372 0.387 4.01 1.385 0.42 4.49 6.0052 0.9984 3088230 TimTec1_006286 CCOC(=O)c1c(NC2=CC(=O)CCC2)sc3CCCCCc13 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 N17 compound treatment 0.941 -0.0443 -0.46 0.955 -0.00997 -0.11 -0.3996 -0.8487 3212763 TimTec1_006287 Brc1ccc(cc1)C2N(C(=O)C32CCCCC3)c4ccccc4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 N18 compound treatment 1.271 0.286 2.96 1.312 0.347 3.71 4.714 0.9938 3212827 TimTec1_006288 COc1ccc(/C=C/C(=O)C2(O)CCCCC2)cc1OC 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 N19 compound treatment 0.744 -0.241 -2.5 0.748 -0.217 -2.32 -3.4061 -0.9993 3088233 TimTec1_006289 Fc1cnc(Nc2ccccc2)nc1N3CCOCC3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 N20 compound treatment 0.929 -0.0563 -0.58 0.922 -0.043 -0.46 -0.7368 -0.993 3212828 TimTec1_006290 O=C1CC(CN1)c2ccc(cc2)S(=O)(=O)NC3CC3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 N21 compound treatment 0.952 -0.0333 -0.34 1.011 0.046 0.49 0.104 0.1732 3088235 TimTec1_006291 COc1ccccc1NC(=O)C2CC(=O)OC32CCOC(C)(C)C3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 N22 compound treatment 0.88 -0.105 -1.09 0.924 -0.041 -0.44 -1.0805 -0.9196 3212829 TimTec1_006292 COC(=O)N1CCN(CC1)c2nc(cs2)c3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 N23 mock treatment 0.976 -0.00928 -0.1 0.92 -0.045 -0.48 -0.4077 -0.8321 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 N24 mock treatment 0.908 -0.0773 -0.8 0.924 -0.041 -0.44 -0.8755 -0.9597 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 O01 compound treatment 0.21 -0.775 -8.03 0.189 -0.776 -8.29 -11.5396 -0.9999 3212830 TimTec1_006293 CC1(C)CN2C(N(C(=S)N2C1)c3ccccc3)c4ccccc4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 O02 compound treatment 0.964 -0.0213 -0.22 0.951 -0.014 -0.15 -0.2614 -0.982 3088238 TimTec1_006294 COC(=O)c1noc(n1)c2ccccc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 O03 compound treatment 0.951 -0.0343 -0.36 0.935 -0.03 -0.32 -0.4775 -0.9987 3088239 TimTec1_006295 CN(C(=O)c1nc2ncccn2n1)c3ccc(OC(F)(F)F)cc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 O04 compound treatment 0.91 -0.0753 -0.78 0.913 -0.052 -0.56 -0.9439 -0.9862 3212831 TimTec1_006296 CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1Oc2ccc(Cl)cc2Cl 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 O05 compound treatment 1.02 0.0347 0.36 1.003 0.038 0.41 0.5416 0.9981 3212832 TimTec1_006297 COC(=O)CC/1=NN(C(=O)\C1=C(\C)/O)c2nc3ccccc3s2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 O06 compound treatment 1.037 0.0517 0.54 1.041 0.076 0.81 0.9531 0.9796 3088242 TimTec1_006298 Sc1nnc(c2ccco2)n1Cc3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 O07 compound treatment 0.941 -0.0443 -0.46 0.935 -0.03 -0.32 -0.5507 -0.9846 3088243 TimTec1_006299 CC1(C)OC(=NC1=O)c2ccccc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 O08 compound treatment 1.338 0.353 3.65 1.353 0.388 4.15 5.5144 0.998 3212833 TimTec1_006300 COc1ccc(cc1OC)C(=O)N2CCN(CC2)c3c(C)cccc3C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 O09 compound treatment 0.141 -0.844 -8.74 0.121 -0.844 -9.02 -12.5586 -0.9999 3088245 TimTec1_006301 OC(=O)CCc1ccc(o1)c2cccs2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 O10 compound treatment 0.983 -0.00228 -0.02 0.963 -0.00197 -0.02 -0.0316 -0.9983 3212834 TimTec1_006302 CC(=O)N1CCc2ccccc2C1CNC=C3C(=O)CC(CC3=O)c4ccco4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 O11 compound treatment 0.805 -0.18 -1.87 0.806 -0.159 -1.7 -2.5212 -0.9989 3088248 TimTec1_006303 C1Oc2ccc(cc2O1)C3NCc4ccccc4-n5cccc35 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 O12 compound treatment 0.859 -0.126 -1.31 0.835 -0.13 -1.39 -1.9066 -0.9996 3212835 TimTec1_006304 CN(C)c1ccc(cc1)c2n[nH]c3CCCC(=O)c23 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 O13 compound treatment 0.95 -0.0353 -0.37 0.927 -0.038 -0.41 -0.5452 -0.9986 3212836 TimTec1_006305 CCN(C1CCCCC1)C(=O)c2cc3cc(Br)cc(OC)c3oc2=O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 O14 compound treatment 0.921 -0.0643 -0.67 0.936 -0.029 -0.31 -0.6896 -0.9393 3088319 TimTec1_006306 COc1ccc(NCc2cc3ccccc3[nH]c2=O)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 O15 compound treatment 0.874 -0.111 -1.15 0.901 -0.064 -0.68 -1.2982 -0.9689 3212837 TimTec1_006307 COc1ccc(CNC(=O)c2cc3ccccc3oc2=O)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 O16 compound treatment 0.865 -0.12 -1.25 0.843 -0.122 -1.3 -1.8023 -0.9997 3088323 TimTec1_006308 S=c1n(CN2CCOCC2)nc3CCCCCn31 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 O17 compound treatment 1.26 0.275 2.85 1.286 0.321 3.43 4.4371 0.9957 3212838 TimTec1_006309 CCCNC(=O)Nc1ccc2c(c1)oc3ccccc32 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 O18 compound treatment 1.306 0.321 3.32 1.311 0.346 3.7 4.9628 0.9986 3088325 TimTec1_006310 O=C1N(C2CCCCC2)C(=O)c3cnccc13 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 O19 compound treatment 1.152 0.167 1.73 1.117 0.152 1.62 2.3694 0.9995 3212839 TimTec1_006311 C/C(=C\1/C(=NN(C1=O)c2nc3ccccc3s2)C)/NCCc4c(C)[nH]c5ccccc45 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 O20 compound treatment 0.865 -0.12 -1.25 0.861 -0.104 -1.11 -1.6663 -0.9984 3088326 TimTec1_006312 CN(C)C(=O)N1CCNCC1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 O21 compound treatment 1.01 0.0247 0.26 1.006 0.041 0.44 0.491 0.9672 3088328 TimTec1_006313 CC1(C)OC(C)(C)/C(=C/c2ccc3cccnc3c2)/C1=O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 O22 compound treatment 1.138 0.153 1.58 1.025 0.06 0.64 1.5719 0.921 3212840 TimTec1_006314 N=C1OC23CCCCC3C1(C#N)C(C#N)(C#N)C(O2)c4ccco4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 O23 mock treatment 0.95 -0.0353 -0.37 0.922 -0.043 -0.46 -0.583 -0.9936 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 O24 mock treatment 0.928 -0.0573 -0.59 0.957 -0.00797 -0.09 -0.4797 -0.8004 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 P01 compound treatment 1.391 0.406 4.2 1.379 0.414 4.42 6.099 0.9997 3088330 TimTec1_006315 CSc1nc2ccc(cc2s1)S(=O)(=O)N3CCCC3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 P02 compound treatment 1.049 0.0637 0.66 1.071 0.106 1.13 1.2676 0.9669 1180888 TimTec1_006316 O=C(C1Cc2ccccc2CN1S(=O)(=O)c3cccs3)N4CCCCC4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 P03 compound treatment 0.971 -0.0143 -0.15 0.928 -0.037 -0.39 -0.3839 -0.9102 3212841 TimTec1_006317 Fc1cc(Cl)c(cc1F)C(=O)Nc2cc(cc(c2)C(=O)N3CCOCC3)C(=O)N4CCOCC4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 P04 compound treatment 0.879 -0.106 -1.1 0.901 -0.064 -0.68 -1.2616 -0.9737 3088333 TimTec1_006318 CN(CC(=O)Nc1ccc(NC(=O)C)cc1)S(=O)(=O)c2ccc(F)cc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 P05 compound treatment 0.907 -0.0783 -0.81 0.908 -0.057 -0.61 -1.0037 -0.99 3088334 TimTec1_006319 CCCCS(=O)(=O)Nc1ccc2ncn(C)c(=O)c2c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 P06 compound treatment 0.967 -0.0183 -0.19 0.975 0.01 0.11 -0.0581 -0.2671 3212842 TimTec1_006320 Cc1cccc(C)c1NC(=S)NC2(CC3CC4CC(C3)C2)C4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 P07 compound treatment 0.083 -0.902 -9.34 0.08 -0.885 -9.45 -13.2931 -1.0 3212843 TimTec1_006321 CCOC(=O)C1=C(N)N2C(=O)C(C)SC2=C(C1c3cccc(OC)c3)C(=O)OC 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 P08 compound treatment 0.944 -0.0413 -0.43 0.945 -0.02 -0.21 -0.4532 -0.9484 3088336 TimTec1_006322 COc1nc(NCC2CCCO2)nc(n1)N3CC4CC(C3)c5cccc(=O)n5C4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 P09 compound treatment 1.305 0.32 3.31 1.288 0.323 3.45 4.7817 0.9998 3212844 TimTec1_006323 CCOc1ccc(CCNC(=C2C(=O)CCCC2=O)CC)cc1OCC 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 P10 compound treatment 1.058 0.0727 0.75 0.995 0.03 0.32 0.7594 0.9277 3212845 TimTec1_006324 CCc1ccc(cc1)C2Nc3ccccc3NC4=C2C(=O)CC(C)(C)C4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 P11 compound treatment 0.946 -0.0393 -0.41 0.908 -0.057 -0.61 -0.718 -0.9808 3088339 TimTec1_006325 COC(=O)C1C(C)CC2=C(C(Nc3ccccc3N2)c4cccc(Br)c4)C1=O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 P12 compound treatment 0.858 -0.127 -1.32 0.885 -0.08 -0.85 -1.5363 -0.978 3212846 TimTec1_006326 O=C(NCC1(CC2CC3CC(C2)C1)C3)c4nc5ncccn5n4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 P13 compound treatment 0.809 -0.176 -1.83 0.726 -0.239 -2.55 -3.0962 -0.9865 3088341 TimTec1_006327 CC1Cn2c(COc3ccccc3)nnc2S1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 P14 compound treatment 0.968 -0.0173 -0.18 0.951 -0.014 -0.15 -0.2321 -0.9959 3212847 TimTec1_006328 CN(C)c1nc(Oc2ccc(=O)n(C)n2)nc(n1)N(C)C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 P15 compound treatment 0.895 -0.0903 -0.94 0.902 -0.063 -0.67 -1.1369 -0.9869 3088343 TimTec1_006329 CC(C)(C)NC(=O)CSc1nnnn1C(C)(C)C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 P16 compound treatment 0.99 0.00472 0.05 0.914 -0.051 -0.54 -0.3505 -0.6411 1353461 TimTec1_006330 OCC1CCCN(C1)C(=S)NCc2ccccc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 P17 compound treatment 1.35 0.365 3.78 1.388 0.423 4.52 5.8667 0.996 3088414 TimTec1_006331 C1CCN(C1)c2nc(nc(n2)n3ccnc3)c4ccccc4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 P18 compound treatment 0.901 -0.0843 -0.87 0.858 -0.107 -1.14 -1.4253 -0.9912 3212848 TimTec1_006332 CCOC(=O)[C@H]1NC(=O)C[C@H]1c2ccccc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 P19 compound treatment 1.271 0.286 2.96 1.246 0.281 3.0 4.2154 1.0 3088418 TimTec1_006333 COc1ccc(cc1)C2=CC(NC(=S)N2)c3cccs3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 P20 compound treatment 1.198 0.213 2.2 1.179 0.214 2.29 3.1747 0.9998 3212849 TimTec1_006334 CCCNC1=C(C(=O)Cc2ccc(OCC)c(OCC)c2)C(=O)CC(C)(C)C1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 P21 compound treatment 0.957 -0.0283 -0.29 0.997 0.032 0.34 0.0349 0.0774 3212850 TimTec1_006335 O=C1CC(C2=C(CCCC2=O)N1c3ccccc3)c4cccs4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 P22 compound treatment 0.96 -0.0253 -0.26 0.998 0.033 0.35 0.0644 0.1465 3088421 TimTec1_006336 CCn1c(=O)n(CC)c2cc(ccc12)S(=O)(=O)NC3CCCCC3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 P23 mock treatment 0.918 -0.0673 -0.7 0.897 -0.068 -0.73 -1.0062 -0.9998 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2080 P24 mock treatment 0.834 -0.151 -1.57 0.858 -0.107 -1.14 -1.916 -0.988 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 A01 compound treatment 0.987 -0.0065 -0.07 1.02 0.0241 0.26 0.1344 0.5052 3212851 TimTec1_006337 NC(=O)C(Cc1ccccc1)NC(=O)C2(CC3CC4CC(C3)C2)C4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 A02 compound treatment 1.182 0.189 1.95 1.191 0.195 2.08 2.8543 0.9995 3088424 TimTec1_006338 CCCc1nc(Sc2nncn2C)c3sc(=S)n(c4ccccc4)c3n1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 A03 compound treatment 1.11 0.117 1.21 1.171 0.175 1.87 2.1759 0.9775 3212852 TimTec1_006339 Fc1ccc(NC(=O)c2ccccc2NS(=O)(=O)N3CCCC3)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 A04 compound treatment 1.133 0.14 1.44 1.184 0.188 2.01 2.4425 0.9869 1402109 TimTec1_006340 Cc1ccc2n3CCN(CCC(=O)N)c4cccc(c2c1)c43 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 A05 compound treatment 1.346 0.352 3.65 1.383 0.387 4.14 5.5057 0.9981 3088426 TimTec1_006341 Cc1ccc(cc1CNC(=O)c2ccco2)c3nn(C)c(=O)c4ccccc34 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 A06 compound treatment 0.51 -0.483 -5.01 0.327 -0.669 -7.15 -8.594 -0.9849 1292864 TimTec1_006342 CCSC1=C(C#N)C(=N)n2c1cc3CCCCc32 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 A07 compound treatment 0.89 -0.103 -1.07 0.974 -0.0219 -0.23 -0.9235 -0.8417 3088428 TimTec1_006343 Cc1cc2NC(Nc3ccc(F)c(Cl)c3)Sn2n1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 A08 compound treatment 0.956 -0.0375 -0.39 1.008 0.0121 0.13 -0.1833 -0.4478 3212922 TimTec1_006344 CC(C)(O)C#Cc1ccc(s1)C(=O)NCc2cccs2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 A09 compound treatment 1.241 0.248 2.56 1.271 0.275 2.94 3.8907 0.9977 3088430 TimTec1_006345 Cc1cc(c(C)s1)S(=O)(=O)N2CCCC2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 A10 compound treatment 0.888 -0.106 -1.09 0.957 -0.0389 -0.42 -1.0665 -0.9123 1848161 TimTec1_006346 Cc1cc(C)c(C#N)c(SCC(=O)NC2CCCCC2)n1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 A11 compound treatment 0.975 -0.0185 -0.19 1.021 0.0251 0.27 0.0541 0.1641 3088432 TimTec1_006347 CCNC(=S)N1CCCC(C1)C(=O)N 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 A12 compound treatment 1.085 0.0915 0.95 1.12 0.124 1.33 1.6075 0.9865 3212923 TimTec1_006348 CCOc1ccc(NC(=S)N2CCSC2c3ccc(C#CC(C)(C)O)s3)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 A13 compound treatment 0.823 -0.171 -1.77 0.829 -0.167 -1.78 -2.5095 -1.0 3088434 TimTec1_006349 OC(=O)CCc1cc(Cl)no1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 A14 compound treatment 0.725 -0.269 -2.78 0.755 -0.241 -2.57 -3.7862 -0.9993 3212924 TimTec1_006350 COc1ccc(cc1)c2c(C)c3ccccc3oc2=O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 A15 compound treatment 0.998 0.0045 0.05 1.022 0.0261 0.28 0.2301 0.814 3212925 TimTec1_006351 FC(F)(F)c1ccccc1N2C(=O)CC(C3=C2CCCC3=O)c4cccnc4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 A16 compound treatment 1.231 0.237 2.46 1.227 0.231 2.47 3.4851 1.0 3088437 TimTec1_006352 CCOc1ccc(cc1)c2cc3ccc(cc3oc2=O)N(CC)CC 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 A17 compound treatment 1.193 0.2 2.07 1.297 0.301 3.22 3.7356 0.9771 3088438 TimTec1_006353 O=C/1NC(=N\C1=C/c2ccco2)c3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 A18 compound treatment 0.043 -0.951 -9.84 0.043 -0.953 -10.18 -14.1595 -0.9999 3212926 TimTec1_006354 CC(=O)n1c(=O)sc2ccccc12 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 A19 compound treatment 1.158 0.165 1.7 1.188 0.192 2.05 2.6558 0.9957 3212927 TimTec1_006355 COc1ccc(cc1)C2OCc3ccccc3N2C(=O)c4cccc(OC)c4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 A20 compound treatment 1.168 0.174 1.81 1.157 0.161 1.72 2.4949 0.9997 1648398 TimTec1_006356 Oc1ccc2ccccc2c1C(NC(=O)C3CCCCC3)c4ccccc4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 A21 compound treatment 0.943 -0.0505 -0.52 0.983 -0.0129 -0.14 -0.4673 -0.864 3088507 TimTec1_006357 CCN(CC)C(=O)Cn1nnc(n1)c2ccc(C)cc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 A22 compound treatment 0.594 -0.4 -4.14 0.618 -0.378 -4.04 -5.7805 -0.9999 1222563 TimTec1_006358 CC(Oc1ccccc1)C(=O)Nc2ccc(Cl)cc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 A23 mock treatment 0.949 -0.0445 -0.46 0.947 -0.0489 -0.52 -0.6953 -0.998 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 A24 mock treatment 0.955 -0.0385 -0.4 0.999 0.00309 0.03 -0.2586 -0.6463 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 B01 compound treatment 1.044 0.0505 0.52 0.992 -0.00391 -0.04 0.3403 0.6486 1265521 TimTec1_006359 O=C(CCc1ccccc1)c2ccc3OCCCOc3c2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 B02 compound treatment 1.125 0.132 1.36 1.146 0.15 1.6 2.0969 0.9967 1216112 TimTec1_006360 Cc1nn(c2CC3C(c12)C3(C)C)c4ccccn4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 B03 compound treatment 1.026 0.0325 0.34 1.133 0.137 1.46 1.2737 0.8475 1782446 TimTec1_006361 NC(=C(C#N)C#N)/C(=C/c1c[nH]c2ccccc12)/C#N 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 B04 compound treatment 0.366 -0.627 -6.5 0.343 -0.653 -6.98 -9.5277 -0.9994 1431158 TimTec1_006362 CCN(CC)c1ccc2c(cc(=O)oc2c1)N3CCCCC3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 B05 compound treatment 0.901 -0.0925 -0.96 0.912 -0.0839 -0.9 -1.3113 -0.9994 1471466 TimTec1_006363 COc1ccc2[nH]c3C(=O)NC(C)Cc3c2c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 B06 compound treatment 1.285 0.291 3.02 1.325 0.329 3.52 4.6209 0.9971 1510603 TimTec1_006364 COc1ccc(CNc2ccc(C)c(C)c2)cc1OC 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 B07 compound treatment 1.105 0.112 1.15 1.183 0.187 2.0 2.2299 0.966 1598446 TimTec1_006365 Brc1ccc(NC(=O)C2(CCCC2)c3ccccc3)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 B08 compound treatment 0.983 -0.0105 -0.11 0.973 -0.0229 -0.24 -0.2499 -0.9333 1697979 TimTec1_006366 O=C(Nc1ccccc1)C2CC3c4ccccc4C2c5ccccc35 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 B09 compound treatment 1.1 0.107 1.1 1.133 0.137 1.46 1.8156 0.9902 1393320 TimTec1_006367 OC(=O)CC(Cc1ccc(Cl)cc1)C(=O)Nc2ccccc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 B10 compound treatment 1.145 0.152 1.57 1.171 0.175 1.87 2.4322 0.9962 1217422 TimTec1_006368 CCOC(=O)c1c(NC(=O)c2ccc(OC)cc2)sc3CCC(C)Cc13 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 B11 compound treatment 0.875 -0.118 -1.23 0.873 -0.123 -1.31 -1.7963 -0.9994 3088515 TimTec1_006369 OC(=O)/C(=C\c1cccs1)/c2ccccc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 B12 compound treatment 1.084 0.0905 0.94 1.077 0.0811 0.87 1.2754 0.9992 1183980 TimTec1_006370 CN1C(C(=C(O)C1=O)C(=O)c2ccc(C)cc2)c3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 B13 compound treatment 1.33 0.337 3.49 1.373 0.377 4.03 5.313 0.9974 1620531 TimTec1_006371 CCc1nc(N)c(C#N)c(c1C)c2ccccc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 B14 compound treatment 0.837 -0.157 -1.62 0.816 -0.18 -1.92 -2.5052 -0.9964 3212929 TimTec1_006372 CCCCn1c2nc(cn2c3ccccc13)C(C)(C)C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 B15 compound treatment 1.232 0.238 2.47 1.255 0.259 2.77 3.7039 0.9984 1922330 TimTec1_006373 COC(=O)CCS(=O)(=O)c1ccc(Br)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 B16 compound treatment 1.027 0.0335 0.35 0.993 -0.00291 -0.03 0.2234 0.6413 3088518 TimTec1_006374 Clc1ccc(cc1)c2cn3ccccc3n2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 B17 compound treatment 0.345 -0.648 -6.72 0.37 -0.626 -6.69 -9.4775 -1.0 1683391 TimTec1_006375 Clc1ccc(cc1Cl)N2Cc3ccccc3C2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 B18 compound treatment 0.939 -0.0545 -0.56 0.936 -0.0599 -0.64 -0.8517 -0.998 1131054 TimTec1_006376 Nc1ccc(C(=O)OCC(=O)c2ccc(Br)cc2)c(O)c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 B19 compound treatment 1.027 0.0335 0.35 1.063 0.0671 0.72 0.7522 0.9445 1106472 TimTec1_006377 COC(=O)c1ccc(C)c(c1)N(CCO)CCO 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 B20 compound treatment 1.135 0.141 1.47 1.141 0.145 1.55 2.1324 0.9996 3088521 TimTec1_006378 c1sc(nc1c2ccccc2)c3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 B21 compound treatment 1.438 0.445 4.6 1.469 0.473 5.05 6.8292 0.9989 1414393 TimTec1_006379 COc1cc2CCN(Cc2cc1OC)C(=O)c3ccco3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 B22 compound treatment 0.635 -0.358 -3.71 0.671 -0.325 -3.47 -5.0799 -0.9994 3088523 TimTec1_006380 CC(C)COc1ccc2[nH]c3CCCc3c2c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 B23 mock treatment 1.046 0.0525 0.54 1.023 0.0271 0.29 0.5892 0.9564 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 B24 mock treatment 0.99 -0.0035 -0.04 1.013 0.0171 0.18 0.1035 0.5559 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 C01 compound treatment 1.065 0.0715 0.74 1.01 0.0141 0.15 0.6301 0.8338 3212930 TimTec1_006381 CCn1c(=O)n(CC)c2cc(ccc12)S(=O)(=O)N3CCOCC3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 C02 compound treatment 1.041 0.0475 0.49 1.056 0.0601 0.64 0.8018 0.9914 3088525 TimTec1_006382 CC1(C)OC(=O)N(CC(=O)Nc2ccc(F)cc2)C1(C)O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 C03 compound treatment 1.028 0.0345 0.36 1.08 0.0841 0.9 0.8879 0.9184 3212931 TimTec1_006383 Fc1ccc(cc1)c2cn3c(c(nc3[nH]2)c4ccccc4)c5ccccc5 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 C04 compound treatment 1.006 0.0125 0.13 1.083 0.0871 0.93 0.7495 0.7978 3212932 TimTec1_006384 COCC(=O)Nc1ccc(CC#N)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 C05 compound treatment 1.021 0.0275 0.28 1.044 0.0481 0.51 0.5647 0.9613 3212933 TimTec1_006385 Cc1ccc(cc1)c2nn(CC(=O)Nc3cccnc3)c(=O)c4ccccc24 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 C06 compound treatment 0.901 -0.0925 -0.96 0.927 -0.0689 -0.74 -1.198 -0.9915 3087470 TimTec1_006386 CC1CN(CC(C)O1)C(=O)c2scc3OCCOc23 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 C07 compound treatment 1.173 0.179 1.86 1.159 0.163 1.74 2.5466 0.9995 3212934 TimTec1_006387 O=C(OCc1ccccc1)c2cccc(c2)c3nnn(Cc4ccccc4)n3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 C08 compound treatment 0.043 -0.951 -9.84 0.043 -0.953 -10.18 -14.1595 -0.9999 3087472 TimTec1_006388 COc1ccc(cc1)C(=O)Oc2c(C)cc(cc2C)C(O)(C(F)(F)F)C(F)(F)F 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 C09 compound treatment 0.99 -0.0035 -0.04 1.008 0.0121 0.13 0.0657 0.4898 3212935 TimTec1_006389 NC(=O)c1cccc(c1)S(=O)(=O)N2CC(CC2=O)c3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 C10 compound treatment 1.015 0.0215 0.22 1.029 0.0331 0.35 0.4075 0.9752 3087474 TimTec1_006390 NN(C(=O)N)c1nc(nc(n1)N2CCCCC2)N3CCCCC3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 C11 compound treatment 0.982 -0.0115 -0.12 0.976 -0.0199 -0.21 -0.2346 -0.9625 3212936 TimTec1_006391 Clc1ccc2[nH]c(=O)c(N3CCCC3)c(c4ccccc4)c2c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 C12 compound treatment 1.457 0.464 4.8 1.488 0.492 5.26 7.1118 0.999 3212937 TimTec1_006392 CCOC(=O)c1c(N)nn(C(=O)CC)c1c2ccccc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 C13 compound treatment 0.574 -0.419 -4.34 0.69 -0.306 -3.27 -5.3831 -0.9901 2103793 TimTec1_006393 COc1ccc(/C=C/C(=O)\C=C\c2ccc(OC)cc2)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 C14 compound treatment 1.178 0.185 1.91 1.211 0.215 2.3 2.9761 0.9958 3087477 TimTec1_006394 Cc1ccc2c(C)c(c3ccccc3)c(=O)oc2c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 C15 compound treatment 1.042 0.0485 0.5 1.084 0.0881 0.94 1.0207 0.9568 3212938 TimTec1_006395 CCOC(=O)C1C(CC(=CC1=O)N2CCOCC2)c3cccc(OC)c3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 C16 compound treatment 1.013 0.0195 0.2 1.035 0.0391 0.42 0.4381 0.9444 3087479 TimTec1_006396 Cc1c(CC(=O)O)c(=O)oc2c(O)c(O)ccc12 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 C17 compound treatment 1.203 0.209 2.17 1.15 0.154 1.65 2.6983 0.9907 3212939 TimTec1_006397 COc1cc2c(cc1NS(=O)(=O)c3ccc(cc3)N4CCCC4=O)oc5ccccc52 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 C18 compound treatment 0.806 -0.188 -1.94 0.831 -0.165 -1.76 -2.6189 -0.9988 1047503 TimTec1_006398 OC(=O)c1ccccc1C(=O)c2ccc(Br)cc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 C19 compound treatment 1.178 0.185 1.91 1.194 0.198 2.12 2.8476 0.9987 3212940 TimTec1_006399 COc1ccc(cc1)C2C3=C(CC(C)(C)CC3=O)Nc4cc(OC)c(OC)cc24 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 C20 compound treatment 0.914 -0.0795 -0.82 0.971 -0.0249 -0.27 -0.7704 -0.8903 1299646 TimTec1_006400 Cc1ccc(cc1)C(=O)Nc2ccc(Cl)cn2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 C21 compound treatment 1.128 0.135 1.39 1.146 0.15 1.6 2.1189 0.9975 3087483 TimTec1_006401 CCN1C(=O)OC(C)(CCc2ccccc2)C1(C)O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 C22 compound treatment 0.883 -0.111 -1.14 0.94 -0.0559 -0.6 -1.2316 -0.954 1518127 TimTec1_006402 CC(NC(=O)Cc1ccc(Br)cc1)c2ccccc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 C23 mock treatment 1.044 0.0505 0.52 1.099 0.103 1.1 1.1486 0.9421 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 C24 mock treatment 1.033 0.0395 0.41 0.987 -0.00891 -0.1 0.222 0.5285 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 D01 compound treatment 1.173 0.179 1.86 1.233 0.237 2.53 3.1056 0.9884 1621697 TimTec1_006403 Clc1ccc(Nc2nc(NCCN3CCOCC3)nc(Nc4ccc(Cl)cc4)n2)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 D02 compound treatment 0.797 -0.197 -2.04 0.921 -0.0749 -0.8 -2.0049 -0.9168 1652889 TimTec1_006404 CC(C)COc1ccc(cc1)C(O)c2ccccc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 D03 compound treatment 1.465 0.471 4.88 1.503 0.507 5.42 7.2837 0.9987 3211230 TimTec1_006405 COc1ccc(/C=N/c2c(nc3ccccn23)c4ccco4)cc1OC 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 D04 compound treatment 0.907 -0.0865 -0.9 0.931 -0.0649 -0.69 -1.1238 -0.992 1434704 TimTec1_006406 OC(=O)c1ccc(CN2CCCCC2)o1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 D05 compound treatment 1.142 0.148 1.54 1.14 0.144 1.54 2.1761 1.0 3087486 TimTec1_006407 CCCCc1ccc(NC(=O)C(C)CC)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 D06 compound treatment 1.033 0.0395 0.41 1.002 0.00609 0.07 0.3353 0.8094 1411188 TimTec1_006408 CCOc1ccc(NC(=O)c2c3CCCCc3nc4ccccc24)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 D07 compound treatment 1.205 0.211 2.19 1.184 0.188 2.01 2.9698 0.9991 1481913 TimTec1_006409 CCOC(=O)C(Cc1ccccc1)C(=O)Nc2ccccc2C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 D08 compound treatment 0.908 -0.0855 -0.89 0.952 -0.0439 -0.47 -0.9578 -0.9558 3211231 TimTec1_006410 COC(=O)CSc1cc(C)nc(N)n1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 D09 compound treatment 0.319 -0.674 -6.99 0.441 -0.555 -5.93 -9.1316 -0.9967 1332614 TimTec1_006411 CN(C)CCOC(=O)c1sc2ccccc2c1Cl 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 D10 compound treatment 1.149 0.156 1.61 1.14 0.144 1.54 2.2273 0.9997 1699312 TimTec1_006412 CC(=O)Nc1sc2CCCCCc2c1C#N 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 D11 compound treatment 1.049 0.0555 0.57 1.059 0.0631 0.67 0.8831 0.9969 1281983 TimTec1_006413 COc1cc(N)ccc1NC(=O)c2ccco2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 D12 compound treatment 1.108 0.115 1.19 1.111 0.115 1.23 1.708 0.9998 3211232 TimTec1_006414 Brc1ccc(cc1)c2cc3-c4ccccc4CCn3c2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 D13 compound treatment 1.187 0.194 2.0 1.188 0.192 2.05 2.8682 0.9999 1235800 TimTec1_006415 N(c1ccccc1)c2nc(nc3ccccc23)c4ccccc4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 D14 compound treatment 0.307 -0.687 -7.11 0.448 -0.548 -5.85 -9.1666 -0.9953 1261113 TimTec1_006416 OC(=O)C1CCCCC1C(=O)N2CCCC2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 D15 compound treatment 0.118 -0.875 -9.07 0.143 -0.853 -9.11 -12.8548 -1.0 1120499 TimTec1_006417 O=C(CCN1Cc2ccccc2C1)c3ccc4OCCOc4c3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 D16 compound treatment 1.118 0.125 1.29 1.144 0.148 1.58 2.0305 0.9948 3211233 TimTec1_006418 Cc1ccc(NC2=CC(=O)CC(C2)c3ccc(Cl)cc3)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 D17 compound treatment 1.04 0.0465 0.48 1.043 0.0471 0.5 0.6963 0.9998 1314383 TimTec1_006419 O=C(COc1ccc2ccccc2c1)N3CCNCC3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 D18 compound treatment 1.055 0.0615 0.64 1.078 0.0821 0.88 1.0706 0.9877 3211234 TimTec1_006420 CC(=O)N/C(=C/c1ccccc1)/C(=O)Nc2ccc(C)c(C)c2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 D19 compound treatment 1.064 0.0705 0.73 1.041 0.0451 0.48 0.857 0.9796 1461637 TimTec1_006421 CCC1C(NC(CC1(O)CC=C)c2ccccc2)c3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 D20 compound treatment 1.327 0.334 3.45 1.311 0.315 3.37 4.8227 0.9999 1679474 TimTec1_006422 CC1=C(CC(=C(C)N1)C(=O)c2ccccc2)C(=O)c3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 D21 compound treatment 1.44 0.447 4.62 1.471 0.475 5.08 6.8589 0.9989 1577332 TimTec1_006423 CC1(C)Cc2nc(N3CCCC3)c(C#N)cc2CO1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 D22 compound treatment 1.242 0.249 2.57 1.283 0.287 3.07 3.9887 0.9962 3088079 TimTec1_006424 CN(C)C(=O)CCSc1ccc(Cl)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 D23 mock treatment 1.012 0.0185 0.19 1.013 0.0171 0.18 0.2646 0.9997 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 D24 mock treatment 1.031 0.0375 0.39 1.027 0.0311 0.33 0.5095 0.997 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 E01 compound treatment 0.97 -0.0235 -0.24 1.037 0.0411 0.44 0.1383 0.2756 3211235 TimTec1_006425 Cc1nc(C)c(C(=O)O)c(c2ccc(F)cc2)c1C(=O)O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 E02 compound treatment 1.376 0.383 3.96 1.397 0.401 4.28 5.8312 0.9992 3088081 TimTec1_006426 CCOc1nc(C)nc2n(C)c(=S)sc12 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 E03 compound treatment 0.997 0.0035 0.04 1.023 0.0271 0.29 0.2303 0.7895 3088082 TimTec1_006427 CC(C)(C)C(N)Cn1ccnc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 E04 compound treatment 0.984 -0.0095 -0.1 1.012 0.0161 0.17 0.052 0.2625 3211236 TimTec1_006428 NC(=O)c1cc2ccccc2nc1C(=O)N 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 E05 compound treatment 0.834 -0.16 -1.65 0.829 -0.167 -1.78 -2.429 -0.9993 1461983 TimTec1_006429 CC(C)NC(=S)N1CCC(Cc2ccccc2)CC1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 E06 compound treatment 0.06 -0.934 -9.67 0.064 -0.932 -9.96 -13.8763 -0.9999 3211237 TimTec1_006430 CC12CCC3C(CC=C4CC(O)CCC34C)C2C/C(=C\c5ccc(cc5)C(F)(F)F)/C1=O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 E07 compound treatment 1.212 0.219 2.26 1.228 0.232 2.48 3.3535 0.999 3088086 TimTec1_006431 CCOC(=O)Cn1nnc(n1)c2ccc(OCc3ccccc3F)cc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 E08 compound treatment 1.169 0.175 1.82 1.188 0.192 2.05 2.7364 0.9982 3088087 TimTec1_006432 CC(=O)Oc1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 E09 compound treatment 0.849 -0.144 -1.5 0.9 -0.0959 -1.02 -1.7827 -0.9829 3211238 TimTec1_006433 COC(=O)/N=c/1\[cH-][n+](no1)c2ccc(C)cc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 E10 compound treatment 1.247 0.254 2.63 1.258 0.262 2.8 3.8364 0.9995 3088089 TimTec1_006434 N#Cc1c(SCc2nc3ccccc3[nH]2)nc(cc1c4ccco4)c5ccccc5 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 E11 compound treatment 0.291 -0.703 -7.28 0.411 -0.585 -6.25 -9.5633 -0.9971 1643293 TimTec1_006435 S=C(Nc1cccnc1)N2CCc3ccccc23 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 E12 compound treatment 0.946 -0.0475 -0.49 0.999 0.00309 0.03 -0.3245 -0.6581 3211239 TimTec1_006436 CCS(=O)(=O)c1nnnn1c2ccccc2S(=O)(=O)C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 E13 compound treatment 1.014 0.0205 0.21 0.985 -0.0109 -0.12 0.0677 0.2797 3088092 TimTec1_006437 CC1Cc2scc[n+]2-c3ccccc3N1C=O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 E14 compound treatment 0.847 -0.146 -1.52 0.862 -0.134 -1.43 -2.0845 -0.9996 3211240 TimTec1_006438 Cc1c(c2ccc(Br)cc2)c(=O)oc3ccccc13 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 E15 compound treatment 0.725 -0.269 -2.78 0.799 -0.197 -2.1 -3.4538 -0.9905 1314711 TimTec1_006439 Oc1cccc(NC(=S)Nc2cccnc2)c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 E16 compound treatment 1.099 0.106 1.09 1.091 0.0951 1.02 1.491 0.9993 3088158 TimTec1_006440 CCC(=O)c1cc(N)ccc1O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 E17 compound treatment 1.049 0.0555 0.57 1.039 0.0431 0.46 0.732 0.9939 3088160 TimTec1_006441 COC(=O)C(NS(=O)(=O)c1ccc(cc1)N2CCCC2=O)c3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 E18 compound treatment 1.001 0.0075 0.08 1.016 0.0201 0.21 0.2067 0.9055 1280834 TimTec1_006442 O=C(c1ccc2[nH]c(=O)oc2c1)c3ccc4[nH]c(=O)oc4c3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 E19 compound treatment 1.042 0.0485 0.5 1.08 0.0841 0.9 0.9905 0.9623 3088162 TimTec1_006443 Cc1cn(CCOc2ccc(Cl)cc2)c(=O)[nH]c1=O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 E20 compound treatment 0.918 -0.0755 -0.78 0.898 -0.0979 -1.05 -1.2925 -0.9897 1786935 TimTec1_006444 COc1ccc2nc(C)cc(SCC(=O)c3ccc(Cl)cc3)c2c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 E21 compound treatment 1.298 0.304 3.15 1.438 0.442 4.72 5.5697 0.9807 3088165 TimTec1_006445 CCn1c2sc(C)nc2c3ccccc13 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 E22 compound treatment 0.789 -0.204 -2.12 0.798 -0.198 -2.11 -2.9927 -1.0 1187778 TimTec1_006446 CCc1ccccc1NC(=O)Cc2ccc(Br)cc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 E23 mock treatment 0.985 -0.0085 -0.09 1.056 0.0601 0.64 0.3917 0.6045 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 E24 mock treatment 1.043 0.0495 0.51 1.052 0.0561 0.6 0.7863 0.997 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 F01 compound treatment 1.027 0.0335 0.35 1.013 0.0171 0.18 0.3745 0.9551 1527015 TimTec1_006447 CC(C)Nc1nc(NC(C)C)nc(Nn2cnnc2)n1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 F02 compound treatment 0.9 -0.0935 -0.97 0.926 -0.0699 -0.75 -1.2128 -0.9918 3088167 TimTec1_006448 OC(=O)c1ccccc1C(=O)NCCCn2ccnc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 F03 compound treatment 1.27 0.277 2.86 1.319 0.323 3.45 4.4657 0.9957 1774253 TimTec1_006449 CC(=C)C1Cc2cc3ccc(=O)oc3cc2O1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 F04 compound treatment 1.087 0.0935 0.97 1.084 0.0881 0.94 1.3502 0.9999 1327284 TimTec1_006450 O=C(Nc1ccc(cc1)c2csc(n2)c3ccccc3)c4cccs4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 F05 compound treatment 1.044 0.0505 0.52 1.031 0.0351 0.37 0.6349 0.9867 3211241 TimTec1_006451 CCC(C)(C)C(=O)NC(c1ccccc1)c2ccccc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 F06 compound treatment 1.11 0.117 1.21 1.145 0.149 1.59 1.9795 0.9906 1238234 TimTec1_006452 Cc1cc(C)n(n1)c2cc(Nc3ccc(C)cc3)nc(n2)c4ccccc4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 F07 compound treatment 1.057 0.0635 0.66 1.104 0.108 1.15 1.2816 0.9644 1039376 TimTec1_006453 CCOC(=O)CNc1cccc(c1)C(F)(F)F 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 F08 compound treatment 1.018 0.0245 0.25 1.007 0.0111 0.12 0.2632 0.9399 1251321 TimTec1_006454 Oc1c(C(=O)NCc2cccnc2)c(=O)n(CC=C)c3ccccc13 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 F09 compound treatment 0.203 -0.79 -8.19 0.211 -0.785 -8.39 -11.7186 -0.9999 3211242 TimTec1_006455 OC(CC#CCN1CCCC1)(C2CCCC2)c3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 F10 compound treatment 0.927 -0.0665 -0.69 0.979 -0.0169 -0.18 -0.6147 -0.8633 1460065 TimTec1_006456 COc1ccc(OCc2nc3ccccc3n2CC(C)C)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 F11 compound treatment 1.063 0.0695 0.72 1.022 0.0261 0.28 0.7061 0.9147 1200425 TimTec1_006457 CC(=O)N1NC(CC1c2ccccc2)c3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 F12 compound treatment 1.109 0.116 1.2 1.078 0.0821 0.88 1.466 0.9884 1370319 TimTec1_006458 C=CCn1c(=O)c2c3CCCCc3sc2[nH]c1=S 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 F13 compound treatment 1.491 0.498 5.15 1.501 0.505 5.4 7.459 0.9997 3211243 TimTec1_006459 Cc1cc(Oc2ccccc2)nc(n1)c3ccc(Br)cc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 F14 compound treatment 0.113 -0.88 -9.12 0.117 -0.879 -9.39 -13.0878 -0.9999 1175134 TimTec1_006460 Nc1nc(cs1)c2ccc(OCc3ccc(Br)cc3)cc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 F15 compound treatment 0.287 -0.707 -7.32 0.351 -0.645 -6.89 -10.0458 -0.9995 3088175 TimTec1_006461 COc1ccc(cc1)[S+]2CCCCC2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 F16 compound treatment 0.928 -0.0655 -0.68 0.935 -0.0609 -0.65 -0.9398 -0.9998 1456348 TimTec1_006462 O=C(N1CCOCC1)C2(CC3CC4C2)CC(C3)CC4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 F17 compound treatment 1.009 0.0155 0.16 1.043 0.0471 0.5 0.4693 0.8886 1618640 TimTec1_006463 Cc1sc2ncnc(NCc3cccnc3)c2c1C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 F18 compound treatment 1.09 0.0965 1.0 1.09 0.0941 1.01 1.4175 1.0 1467012 TimTec1_006464 COc1ccc(NC(=O)C2CCCCN2N)cc1OCC(C)C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 F19 compound treatment 1.056 0.0625 0.65 1.044 0.0481 0.51 0.821 0.9935 1706198 TimTec1_006465 CCC(=O)N1C(CC2CC=C(C)C2(C)C)C3=C(CC(C)(C)CC3=O)Nc4ccccc14 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 F20 compound treatment 0.972 -0.0215 -0.22 0.948 -0.0479 -0.51 -0.5194 -0.9305 1345040 TimTec1_006466 CCN(CC)c1ccc2cc(c3nnc(o3)c4cccnc4)c(=O)oc2c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 F21 compound treatment 0.97 -0.0235 -0.24 1.053 0.0571 0.61 0.2592 0.3947 1688068 TimTec1_006467 NC(=O)c1ccccc1NC(=O)CCC(=O)O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 F22 compound treatment 1.019 0.0255 0.26 1.07 0.0741 0.79 0.7465 0.8946 3248073 TimTec1_006468 Cc1n[nH]c(C)c1[C@]2(C[C@H]3C[C@H]4C[C@H](C3)C2)C4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 F23 mock treatment 0.963 -0.0305 -0.32 0.997 0.00109 0.01 -0.2151 -0.6805 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 F24 mock treatment 1.006 0.0125 0.13 1.05 0.0541 0.58 0.5002 0.8446 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 G01 compound treatment 1.191 0.198 2.05 1.204 0.208 2.22 3.0184 0.9991 3211441 TimTec1_006469 CCn1c(=O)n(CC)c2cc(ccc12)S(=O)(=O)N3CCc4ccccc34 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 G02 compound treatment 0.3 -0.694 -7.18 0.283 -0.713 -7.62 -10.4643 -0.9996 3088256 TimTec1_006470 Fc1ccc(OC(=O)c2nsc(Cl)c2Cl)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 G03 compound treatment 0.927 -0.0665 -0.69 0.916 -0.0799 -0.85 -1.0906 -0.9943 3211442 TimTec1_006471 CC(C)(C)C(CN1CCCC1)OC(=O)c2ccccc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 G04 compound treatment 0.268 -0.726 -7.51 0.303 -0.693 -7.4 -10.5476 -1.0 3088258 TimTec1_006472 NC(=N)NC(=N)N1N=CCC1c2ccccc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 G05 compound treatment 1.067 0.0735 0.76 1.097 0.101 1.08 1.302 0.9853 3211443 TimTec1_006473 Cc1ccc(cc1)C(=O)OCC2OC3OC(C)(C)OC3C2O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 G06 compound treatment 0.959 -0.0345 -0.36 0.978 -0.0179 -0.19 -0.3879 -0.9571 3211444 TimTec1_006474 NS(=O)(=O)c1ccc(cc1)S(=O)(=O)NCC(=O)c2ccccc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 G07 compound treatment 0.746 -0.248 -2.56 0.817 -0.179 -1.91 -3.1641 -0.9895 1310353 TimTec1_006475 S=C(NC1CCCCCCC1)Nc2cccnc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 G08 compound treatment 0.865 -0.129 -1.33 0.905 -0.0909 -0.97 -1.6278 -0.988 3088261 TimTec1_006476 CC(=O)Oc1ccc(C)cc1C(O)(C(F)(F)F)C(F)(F)F 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 G09 compound treatment 0.851 -0.142 -1.48 0.877 -0.119 -1.27 -1.9418 -0.9972 3211445 TimTec1_006477 CSC1=NC(C)(C)CC2(CC(c3cccs3)c4ccc(O)c(O)c4O2)N1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 G10 compound treatment 0.994 5.0E-4 0.01 1.047 0.0511 0.55 0.3896 0.7138 3088263 TimTec1_006478 Cc1cc(=O)[nH]c2n(nc(O)c12)C3CCCCC3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 G11 compound treatment 1.216 0.223 2.3 1.206 0.21 2.24 3.2166 0.9999 3211446 TimTec1_006479 CCCN(CC1CC1)C(=S)Nc2cccc(C)c2C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 G12 compound treatment 0.983 -0.0105 -0.11 0.982 -0.0139 -0.15 -0.1819 -0.9882 3088265 TimTec1_006480 OC(=O)c1cc(=O)c2cc(Br)ccc2o1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 G13 compound treatment 0.946 -0.0475 -0.49 1.017 0.0211 0.23 -0.1885 -0.3484 3211447 TimTec1_006481 CCOc1cc2CNC(c3cccn3-c2cc1OCC)c4c(O)cccc4OC 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 G14 compound treatment 1.297 0.303 3.14 1.27 0.274 2.93 4.2933 0.9994 1098644 TimTec1_006482 C=CCOc1ccc2ccc(=O)oc2c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 G15 compound treatment 1.18 0.187 1.93 1.222 0.226 2.42 3.0738 0.9939 3211448 TimTec1_006483 O=C(Cc1ccccc1)N2CCN(CC2)c3nc4ccccc4o3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 G16 compound treatment 1.1 0.107 1.1 1.076 0.0801 0.86 1.385 0.9921 1202156 TimTec1_006484 CCC(C)n1ncn(c2ccc(cc2)N3CCN(CC3)c4ccc(OC)cc4)c1=O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 G17 compound treatment 1.074 0.0805 0.83 1.104 0.108 1.15 1.4061 0.9872 3088269 TimTec1_006485 CC1CCc2c(C1)sc3nc(SCc4nc(no4)c5ccccc5)n(C)c(=O)c23 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 G18 compound treatment 1.345 0.351 3.64 1.323 0.327 3.49 5.0452 0.9998 3211449 TimTec1_006486 COC(=O)C1=C(O)c2ccccc2S(=O)(=O)N1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 G19 compound treatment 0.304 -0.69 -7.14 0.359 -0.637 -6.8 -9.8609 -0.9997 3211450 TimTec1_006487 CCNc1nc(NCC)n2c(SCC(=O)c3cccs3)nnc2n1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 G20 compound treatment 1.058 0.0645 0.67 1.077 0.0811 0.87 1.085 0.9918 3088271 TimTec1_006488 Cc1ccc(SCC(=O)Nc2ccc(C)cc2C)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 G21 compound treatment 0.222 -0.771 -7.99 0.348 -0.648 -6.92 -10.5445 -0.9974 3211451 TimTec1_006489 Fc1ccc(NC2=CC(CC2=O)N3CCCCC3)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 G22 compound treatment 0.538 -0.456 -4.72 0.737 -0.259 -2.77 -5.2917 -0.9676 1498860 TimTec1_006490 C(C1Cc2ccccc2O1)N3CCCCC3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 G23 mock treatment 0.982 -0.0115 -0.12 1.004 0.00809 0.09 -0.0231 -0.1568 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 G24 mock treatment 1.034 0.0405 0.42 1.013 0.0171 0.18 0.4257 0.9306 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 H01 compound treatment 0.491 -0.502 -5.2 0.522 -0.474 -5.06 -7.2601 -0.9999 1353778 TimTec1_006491 CCOC(=O)CC1(CCOC(C)(C)C1)c2ccccc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 H02 compound treatment 0.927 -0.0665 -0.69 1.003 0.00709 0.08 -0.4334 -0.6255 1342963 TimTec1_006492 CN1CCC2(CCN(Cc3ccccc3)C2)C1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 H03 compound treatment 1.278 0.284 2.95 1.361 0.365 3.9 4.8415 0.9904 3211452 TimTec1_006493 Cc1cc(nc(c1C)c2ccccc2)c3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 H04 compound treatment 0.819 -0.174 -1.81 0.781 -0.215 -2.3 -2.9014 -0.993 1735148 TimTec1_006494 Cc1cccc(Nc2cc(C)nc3ccccc23)c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 H05 compound treatment 1.466 0.472 4.89 1.494 0.498 5.32 7.2231 0.9991 3088347 TimTec1_006495 CCOC(=O)c1c(C)n(C)c2ccc(OCC)cc12 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 H06 compound treatment 1.301 0.308 3.18 1.334 0.338 3.61 4.806 0.998 3211453 TimTec1_006496 FC(F)(F)C1CC(Nc2c(cnn12)C(=O)Nc3cccc4ccccc34)c5ccccc5 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 H07 compound treatment 0.775 -0.219 -2.26 0.778 -0.218 -2.33 -3.2463 -0.9999 1313366 TimTec1_006497 CCOc1ccc(CNC2CCCc3ccccc23)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 H08 compound treatment 0.047 -0.947 -9.8 0.052 -0.944 -10.08 -14.0622 -0.9999 3211454 TimTec1_006498 NC1=C(C#N)C(C(=C(N)S1)C#N)c2ccccc2F 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 H09 compound treatment 0.889 -0.105 -1.08 0.94 -0.0559 -0.6 -1.1876 -0.9607 1379894 TimTec1_006499 CC(=O)Nc1cccc(c1)c2nc3ccccc3[nH]2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 H10 compound treatment 1.383 0.39 4.03 1.29 0.294 3.14 5.0742 0.9924 3088351 TimTec1_006500 COc1ccc(cc1)c2c(C)oc3ccc(C)cc23 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 H11 compound treatment 1.139 0.145 1.51 1.135 0.139 1.49 2.1163 1.0 1710850 TimTec1_006501 CCCc1cc(O)c2c(C)cc(=O)oc2c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 H12 compound treatment 0.989 -0.0045 -0.05 1.035 0.0391 0.42 0.2624 0.6243 3211455 TimTec1_006502 Cc1ccc(cc1)C(=O)NCCc2ccccc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 H13 compound treatment 1.175 0.181 1.88 1.191 0.195 2.08 2.803 0.9987 1733570 TimTec1_006503 Cc1ccc(Nc2nnc(c3ccccc3)c4ccccc24)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 H14 compound treatment 0.077 -0.916 -9.49 0.097 -0.899 -9.6 -13.5026 -1.0 1118121 TimTec1_006504 CC1(C)CC(=C(CC2C(=O)CC(C)(C)CC2=O)C(=O)C1)O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 H15 compound treatment 0.97 -0.0235 -0.24 0.994 -0.00191 -0.02 -0.1865 -0.7636 1591866 TimTec1_006505 O=S1(=O)CCC(C1)NC2CCS(=O)(=O)C2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 H16 compound treatment 1.001 0.0075 0.08 1.039 0.0431 0.46 0.3805 0.8149 3088354 TimTec1_006506 CC(C)(C)S(=O)(=O)c1ccc2ccccc2c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 H17 compound treatment 1.088 0.0945 0.98 1.134 0.138 1.48 1.7353 0.9801 1442109 TimTec1_006507 CCC1C(=C(NC2=C1C(=O)CC(C)(C)C2)SC)C#N 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 H18 compound treatment 0.865 -0.129 -1.33 0.905 -0.0909 -0.97 -1.6278 -0.988 1161095 TimTec1_006508 COc1cccc(CNC2CCCC2)c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 H19 compound treatment 0.939 -0.0545 -0.56 0.938 -0.0579 -0.62 -0.8366 -0.999 1180009 TimTec1_006509 Brc1ccc(o1)C(=O)Nc2cccnc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 H20 compound treatment 1.035 0.0415 0.43 1.05 0.0541 0.58 0.7126 0.9894 1788667 TimTec1_006510 COCC(C)NC(=O)c1c(C)onc1c2ccccc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 H21 compound treatment 1.375 0.382 3.95 1.375 0.379 4.05 5.6577 0.9999 1569691 TimTec1_006511 CC(C)CC(=O)NCc1ccc2OCOc2c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 H22 compound treatment 1.172 0.178 1.85 1.313 0.317 3.39 3.7026 0.9594 1573756 TimTec1_006512 OCCNc1nc2-c3ccccc3CC4(CCCCC4)c2c(=O)n1Cc5ccccc5 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 H23 mock treatment 1.023 0.0295 0.31 1.011 0.0151 0.16 0.3301 0.9554 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 H24 mock treatment 0.98 -0.0135 -0.14 1.025 0.0291 0.31 0.1209 0.3548 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 I01 compound treatment 1.017 0.0235 0.24 1.075 0.0791 0.84 0.7696 0.8752 3211456 TimTec1_006513 NC(=O)C(Cc1ccccc1)NC(=O)c2ccccc2Sc3ccccc3C#N 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 I02 compound treatment 1.177 0.184 1.9 1.246 0.25 2.67 3.2331 0.9861 3088358 TimTec1_006514 N#Cc1ccc(CSc2nnc(c3cccs3)n2c4ccccc4)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 I03 compound treatment 0.905 -0.0885 -0.92 0.93 -0.0659 -0.7 -1.146 -0.9915 3088360 TimTec1_006515 CCN(Cc1ccccc1)C(=O)CSc2nc(C)cc3COC(=O)c32 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 I04 compound treatment 0.963 -0.0305 -0.32 0.989 -0.00691 -0.07 -0.2755 -0.8494 3211457 TimTec1_006516 CC1(C)OCC(O1)C2OC(=O)C3OC(C)(C)OC23 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 I05 compound treatment 0.159 -0.835 -8.64 0.153 -0.843 -9.0 -12.479 -0.9998 3211458 TimTec1_006517 Cc1ccc2ncc(cc2c1)c3ccc4c(N)c(C)ccc4n3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 I06 compound treatment 0.937 -0.0565 -0.59 0.912 -0.0839 -0.9 -1.0476 -0.9786 3088362 TimTec1_006518 CN1C(=O)N(C)C(=O)C(C2CCC3OCC2O3)(C4CCC5OCC4O5)C1=O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 I07 compound treatment 1.275 0.281 2.92 1.296 0.3 3.21 4.3285 0.9989 3211459 TimTec1_006519 COc1ccc(cc1)C2N(C(=O)C32CCCC3)c4ccc(OC)cc4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 I08 compound treatment 1.006 0.0125 0.13 1.021 0.0251 0.27 0.2811 0.9442 3088364 TimTec1_006520 CCOC(=O)C1CNC(=S)NC1(C)O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 I09 compound treatment 1.251 0.258 2.67 1.28 0.284 3.04 4.0319 0.9979 3211538 TimTec1_006521 CC1(C)CC2(CC(c3ccccc3F)c4cc(Cl)c(O)cc4O2)NC(=S)N1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 I10 compound treatment 1.23 0.236 2.45 0.325 -0.671 -7.17 -3.3362 -0.4404 3211539 TimTec1_006522 CC1(C)Cc2c(CS1)c(nc3sc4c(Cl)nnnc4c23)N5CCOCC5 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 I11 compound treatment 0.879 -0.115 -1.19 0.964 -0.0319 -0.34 -1.0796 -0.8749 3088367 TimTec1_006523 CCNCC1Cc2ccccc2O1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 I12 compound treatment 1.079 0.0855 0.89 1.153 0.157 1.68 1.8129 0.9554 3088369 TimTec1_006524 Cc1ccc2oc(cc(=O)c2c1)c3ccc(Cl)cc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 I13 compound treatment 1.218 0.225 2.33 1.252 0.256 2.74 3.5787 0.9967 3211540 TimTec1_006525 CN(C)c1nc(nc2n(c3ccccc3)c(=S)sc12)c4ccccc4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 I14 compound treatment 1.343 0.349 3.62 1.391 0.395 4.22 5.5442 0.9971 3088443 TimTec1_006526 CCOc1cc(=O)oc2ccc(Cl)cc12 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 I15 compound treatment 1.141 0.147 1.53 1.121 0.125 1.34 2.0252 0.9978 1518517 TimTec1_006527 CCCN(CC1CC1)C(=S)Nc2ccc(OCC)cc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 I16 compound treatment 0.447 -0.546 -5.66 0.462 -0.534 -5.7 -8.0356 -1.0 3211541 TimTec1_006528 COc1ccc(cc1Br)C(=O)O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 I17 compound treatment 0.957 -0.0365 -0.38 0.962 -0.0339 -0.36 -0.5234 -0.9998 3211542 TimTec1_006529 OC(=O)CC(N1C(=O)CCC1=O)c2ccc(Cl)cc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 I18 compound treatment 0.336 -0.657 -6.81 0.29 -0.706 -7.54 -10.1478 -0.9987 3088447 TimTec1_006530 COC(=O)C1=C(O)c2ccccc2S(=O)(=O)N1C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 I19 compound treatment 1.195 0.202 2.09 1.17 0.174 1.86 2.7908 0.9983 1478025 TimTec1_006531 COc1ccc2CN(C(=O)c2c1OC)c3ccc(F)cc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 I20 compound treatment 0.575 -0.418 -4.33 0.63 -0.366 -3.91 -5.829 -0.9987 3088449 TimTec1_006532 CNC(=O)CSc1ccc(Cl)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 I21 compound treatment 0.843 -0.15 -1.56 0.988 -0.00791 -0.08 -1.1619 -0.7443 1596437 TimTec1_006533 S=C(NCCN1CCOCC1)Nc2ccc(C#N)cc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 I22 compound treatment 1.004 0.0105 0.11 1.014 0.0181 0.19 0.2136 0.963 1592947 TimTec1_006534 OC(=O)c1oc2ccccc2c1CSc3ccccn3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 I23 mock treatment 0.996 0.0025 0.03 0.989 -0.00691 -0.07 -0.0339 -0.4331 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 I24 mock treatment 1.057 0.0635 0.66 1.013 0.0171 0.18 0.5942 0.8705 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 J01 compound treatment 0.94 -0.0535 -0.55 0.949 -0.0469 -0.5 -0.7461 -0.9987 1534128 TimTec1_006535 CCCCC1CCC(CC1)C(=O)OCC(=O)c2ccc(Br)cc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 J02 compound treatment 1.094 0.101 1.04 1.224 0.228 2.44 2.4591 0.928 1169194 TimTec1_006536 O=C(CSc1nsc(SCC(=O)N2CCCCC2)c1C#N)N3CCCCC3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 J03 compound treatment 1.002 0.0085 0.09 1.023 0.0271 0.29 0.2669 0.8823 1496370 TimTec1_006537 COc1ccc(OCC(=O)NCC(=O)O)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 J04 compound treatment 1.09 0.0965 1.0 1.145 0.149 1.59 1.833 0.9748 1291245 TimTec1_006538 CCOc1ccc2NC(C3CC=CC3c2c1)c4ccc(cc4)C(=O)OC 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 J05 compound treatment 0.921 -0.0725 -0.75 0.956 -0.0399 -0.43 -0.8324 -0.964 3088453 TimTec1_006539 OC(=O)C1C(C2OC1C=C2)C(=O)Nc3cccc(c3)C(F)(F)F 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 J06 compound treatment 1.197 0.203 2.11 1.222 0.226 2.42 3.1983 0.9977 1271879 TimTec1_006540 O=C(Cc1cccs1)Nc2nc(cs2)c3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 J07 compound treatment 0.665 -0.329 -3.4 0.686 -0.31 -3.31 -4.7469 -0.9999 1072955 TimTec1_006541 COc1ccc(cc1)c2cc([nH]n2)c3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 J08 compound treatment 1.309 0.316 3.27 1.374 0.378 4.04 5.1668 0.9945 3211543 TimTec1_006542 COc1cccc(c1)C2CC(n3ncc(C(=O)N4CCCCC4C)c3N2)C(F)(F)F 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 J09 compound treatment 0.843 -0.15 -1.56 0.838 -0.158 -1.69 -2.2951 -0.9992 1695584 TimTec1_006543 CC(=CCC(C)(C)C1OCCN1C(=O)c2ccccc2)C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 J10 compound treatment 0.05 -0.944 -9.77 0.047 -0.949 -10.14 -14.078 -0.9998 1201910 TimTec1_006544 Cc1cccc2c(C)cc(SCCC(=O)O)nc12 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 J11 compound treatment 0.994 5.0E-4 0.01 1.01 0.0141 0.15 0.1101 0.731 1651502 TimTec1_006545 CC(C(=O)Nc1ccccc1)C(=O)Nc2ccccc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 J12 compound treatment 0.923 -0.0705 -0.73 0.935 -0.0609 -0.65 -0.9764 -0.9983 1498972 TimTec1_006546 OC(=O)CCCC(=O)Nc1ccc(Cl)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 J13 compound treatment 0.908 -0.0855 -0.89 0.898 -0.0979 -1.05 -1.3658 -0.9966 1609094 TimTec1_006547 C(Nc1ccccn1)C2COc3ccccc3O2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 J14 compound treatment 1.352 0.358 3.71 1.385 0.389 4.16 5.5648 0.9984 1441843 TimTec1_006548 CCOC(=O)CC(=O)c1c[nH]c2ccccc12 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 J15 compound treatment 1.456 0.463 4.79 1.49 0.494 5.28 7.1196 0.9988 1692597 TimTec1_006549 COc1ccc(cc1)c2cc(C)nc(N)c2C#N 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 J16 compound treatment 0.942 -0.0515 -0.53 1.013 0.0171 0.18 -0.248 -0.4399 1475363 TimTec1_006550 OC1(CC(=O)c2ccc(Cl)cc2)OC(=CC1=O)c3ccc(Cl)cc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 J17 compound treatment 0.819 -0.174 -1.81 0.756 -0.24 -2.56 -3.0903 -0.9854 3088459 TimTec1_006551 CC1=CC(C)(C)N=C(Nc2nc(C)c3cc(C)cc(C)c3n2)N1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 J18 compound treatment 0.996 0.0025 0.03 1.045 0.0491 0.52 0.3892 0.7411 1438712 TimTec1_006552 CC(C)CC(=O)N1CCN(Cc2cccc(C)c2)CC1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 J19 compound treatment 1.232 0.238 2.47 1.273 0.277 2.96 3.8399 0.996 1215237 TimTec1_006553 O=C(Nc1ccccn1)c2cc3ccccc3o2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 J20 compound treatment 0.953 -0.0405 -0.42 1.001 0.00509 0.05 -0.2581 -0.6103 1739248 TimTec1_006554 CC(C)CN(CC(C)C)Cc1c(O)ccc2c(=O)c(coc12)c3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 J21 compound treatment 1.162 0.169 1.75 1.136 0.14 1.5 2.2923 0.9971 3088529 TimTec1_006555 Cc1ccc(C)c(Cc2cc(Cl)ccc2Cl)c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 J22 compound treatment 0.049 -0.945 -9.78 0.047 -0.949 -10.14 -14.0853 -0.9998 1779992 TimTec1_006556 COc1ccc2oc(/C=C/N(C)C)c(C(=O)c3ccc(Br)cc3)c2c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 J23 mock treatment 0.988 -0.0055 -0.06 0.978 -0.0179 -0.19 -0.1755 -0.8795 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 J24 mock treatment 0.982 -0.0115 -0.12 1.019 0.0231 0.25 0.0902 0.3294 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 K01 compound treatment 0.85 -0.143 -1.49 0.934 -0.0619 -0.66 -1.5186 -0.9335 3088531 TimTec1_006557 CC(=O)Nc1cc(ccc1N2CCN(CC2)c3ccccc3)C(F)(F)F 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 K02 compound treatment 1.019 0.0255 0.26 1.032 0.0361 0.39 0.4594 0.983 3211545 TimTec1_006558 COc1cc(OC)nc(NC(=O)C(C)C)n1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 K03 compound treatment 1.032 0.0385 0.4 1.105 0.109 1.17 1.1061 0.8979 3088533 TimTec1_006559 Cc1cc2COC(=O)c2c(SCc3ccc(Cl)cc3)n1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 K04 compound treatment 0.989 -0.0045 -0.05 1.002 0.00609 0.07 0.0131 0.1633 3211546 TimTec1_006560 COc1ccc(cc1)c2nc(no2)c3cccs3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 K05 compound treatment 0.969 -0.0245 -0.25 0.958 -0.0379 -0.4 -0.4658 -0.9746 1870743 TimTec1_006561 COc1cc(ccc1OC(C)C)C2NCCc3c2[nH]c4ccccc34 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 K06 compound treatment 0.98 -0.0135 -0.14 1.001 0.00509 0.05 -0.0604 -0.4025 3088535 TimTec1_006562 N#CC(=C1NN=NN1c2ccccc2)C#N 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 K07 compound treatment 1.23 0.236 2.45 1.206 0.21 2.24 3.3191 0.999 3088537 TimTec1_006563 CC1(C)C(OC(=O)C(C)(C)C1=O)c2ccco2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 K08 compound treatment 1.113 0.12 1.24 1.093 0.0971 1.04 1.6086 0.9961 3211547 TimTec1_006564 Cc1ccccc1COc2ccc(cc2)c3nnn[nH]3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 K09 compound treatment 1.265 0.272 2.81 1.286 0.29 3.1 4.1798 0.9988 3211548 TimTec1_006565 CC1(C)NC(=S)NC(=C1)/C=C/c2ccccc2F 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 K10 compound treatment 1.151 0.158 1.63 1.167 0.171 1.83 2.4459 0.9984 3088539 TimTec1_006566 CCC1(C)Cc2c(C#N)c(N)n(c3ccccc3)c(=O)c2CO1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 K11 compound treatment 1.199 0.205 2.13 1.255 0.259 2.77 3.4622 0.9916 3211549 TimTec1_006567 CC1(C)Cc2c(ccc3ccccc23)C(=N1)Sc4ccc(N)cc4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 K12 compound treatment 1.134 0.141 1.46 1.184 0.188 2.01 2.4499 0.9874 3088542 TimTec1_006568 Oc1ccc2c(c3ccccc3)c(c4ccccc4)c(=O)oc2c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 K13 compound treatment 0.202 -0.791 -8.2 0.238 -0.758 -8.1 -11.522 -1.0 3211550 TimTec1_006569 Cc1ccc(c(C)c1)n2nnnc2S(=O)(=O)C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 K14 compound treatment 1.186 0.193 1.99 1.197 0.201 2.15 2.9289 0.9993 3088543 TimTec1_006570 Cc1cccc(c1)c2cc(=O)c3cc(C)ccc3o2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 K15 compound treatment 0.947 -0.0465 -0.48 0.969 -0.0269 -0.29 -0.5438 -0.9696 1568310 TimTec1_006571 CSc1ccccc1NC(=S)Nc2cccnc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 K16 compound treatment 0.895 -0.0985 -1.02 0.899 -0.0969 -1.04 -1.4534 -1.0 3211551 TimTec1_006572 COc1cc(OC)c2c(=O)c(coc2c1)c3ccc(Cl)cc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 K17 compound treatment 0.981 -0.0125 -0.13 1.042 0.0461 0.49 0.2567 0.5041 3088546 TimTec1_006573 Cc1cn2c(nc(=S)nc2s1)c3ccccc3F 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 K18 compound treatment 1.08 0.0865 0.9 1.144 0.148 1.58 1.7522 0.9637 3088547 TimTec1_006574 Oc1cccc(c1)C2CC(=O)c3ccccc3O2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 K19 compound treatment 0.833 -0.161 -1.66 0.836 -0.16 -1.71 -2.3834 -0.9999 3211552 TimTec1_006575 CCOC(=O)C1C2c3ccccc3O[C@]1(C)N=c4s/c(=C/c5ccc(OC)cc5)/c(=O)n24 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 K20 compound treatment 1.152 0.159 1.64 1.178 0.182 1.95 2.5364 0.9964 1160836 TimTec1_006576 COC(=O)C1C(C(C1c2ccccc2)C(=O)OCc3ccccc3)c4ccccc4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 K21 compound treatment 0.99 -0.0035 -0.04 1.052 0.0561 0.6 0.3981 0.6631 1239220 TimTec1_006577 COc1ccccc1NC(=S)N2CCCCC2CO 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 K22 compound treatment 1.389 0.396 4.1 1.436 0.44 4.7 6.221 0.9976 3211553 TimTec1_006578 C1CCc2c(C1)n(c3ccccc3)c4ccccc24 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 K23 mock treatment 0.953 -0.0405 -0.42 0.987 -0.00891 -0.1 -0.3639 -0.846 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 K24 mock treatment 0.957 -0.0365 -0.38 1.006 0.0101 0.11 -0.1911 -0.486 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 L01 compound treatment 1.119 0.126 1.3 1.142 0.146 1.56 2.0227 0.9959 3088551 TimTec1_006579 CCn1c(=O)oc2cc(Br)ccc12 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 L02 compound treatment 0.996 0.0025 0.03 1.012 0.0161 0.17 0.1399 0.8045 1255982 TimTec1_006580 COc1cc(OC)c(cc1OC)C(=O)CCC(=O)O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 L03 compound treatment 1.017 0.0235 0.24 1.035 0.0391 0.42 0.4674 0.967 1156741 TimTec1_006581 CCC(C)NC(=O)c1ccccc1c2ccccc2C(=O)NC(C)CC 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 L04 compound treatment 0.898 -0.0955 -0.99 1.014 0.0181 0.19 -0.5627 -0.5584 1735137 TimTec1_006582 CC1CN(CC(C)O1)C(=O)c2ccc(N)cc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 L05 compound treatment 0.993 -5.0E-4 -0.01 0.971 -0.0249 -0.27 -0.1918 -0.7207 3087493 TimTec1_006583 OC(=O)C1C(C2CC1C=C2)C(=O)Nc3ccc4ccccc4c3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 L06 compound treatment 0.979 -0.0145 -0.15 0.978 -0.0179 -0.19 -0.2415 -0.9928 1637432 TimTec1_006584 CC1(CN(CC2(C)CN(C1)C(=O)c3ccccc3)C(=O)c4ccccc4)C2=O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 L07 compound treatment 0.968 -0.0255 -0.26 0.99 -0.00591 -0.06 -0.2314 -0.8521 3087495 TimTec1_006585 Brc1ccc(cc1)c2noc(n2)c3ccc(Br)cc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 L08 compound treatment 0.947 -0.0465 -0.48 1.01 0.0141 0.15 -0.2341 -0.4639 1144835 TimTec1_006586 CCc1c(C)nc2cc(nn2c1O)c3ccc(Cl)cc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 L09 compound treatment 0.88 -0.114 -1.18 0.95 -0.0459 -0.49 -1.178 -0.9249 3087497 TimTec1_006587 CC(=O)OCCCn1c(C)nc2cc(Cl)ccc12 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 L10 compound treatment 0.347 -0.646 -6.7 0.454 -0.542 -5.79 -8.8283 -0.9974 3211639 TimTec1_006588 CCCCC(=O)C1CCC(CC1)c2ccc(Cl)cc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 L11 compound treatment 1.071 0.0775 0.8 1.125 0.129 1.38 1.5428 0.9668 1423564 TimTec1_006589 COc1cccc(NC(=O)CSc2ccccc2)c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 L12 compound treatment 0.854 -0.14 -1.44 0.85 -0.146 -1.56 -2.1238 -0.9993 3211640 TimTec1_006590 COc1ccc(cc1)C2N(CCO)C(=O)C(=C2C(=O)/C=C/c3ccccc3)O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 L13 compound treatment 0.14 -0.854 -8.84 0.16 -0.836 -8.93 -12.5653 -1.0 1119356 TimTec1_006591 COc1ccc(Cl)cc1CN2CCCCC2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 L14 compound treatment 0.644 -0.349 -3.62 0.65 -0.346 -3.7 -5.1726 -0.9999 1538287 TimTec1_006592 OCCn1c(cn2c1nc3ccccc32)c4ccccc4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 L15 compound treatment 1.483 0.489 5.07 1.499 0.503 5.37 7.3854 0.9996 3211641 TimTec1_006593 Nc1nc(cc(c1C#N)c2ccc3OCOc3c2)c4ccccc4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 L16 compound treatment 0.988 -0.0055 -0.06 0.996 9.38E-5 0.0 -0.0396 -0.6946 1511443 TimTec1_006594 CC(Cc1ccccc1)NC(=O)c2ccc(N)cc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 L17 compound treatment 0.955 -0.0385 -0.4 0.984 -0.0119 -0.13 -0.3719 -0.8886 1541381 TimTec1_006595 O=C(CCCN1C(=O)c2ccccc2C1=O)NC3CCCC3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 L18 compound treatment 0.856 -0.138 -1.42 0.945 -0.0509 -0.54 -1.3915 -0.9128 3087502 TimTec1_006596 ON=C(C(=O)c1ccccc1)C(=O)c2ccccc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 L19 compound treatment 0.876 -0.117 -1.22 0.814 -0.182 -1.94 -2.2347 -0.9746 1710724 TimTec1_006597 O=C(CCCc1ccccc1)c2ccc3OCCOc3c2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 L20 compound treatment 0.044 -0.95 -9.83 0.045 -0.951 -10.16 -14.1371 -0.9999 1446113 TimTec1_006598 CC(=O)Nc1ccc(Nc2nc(c3ccccc3)c4cc(Br)ccc4n2)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 L21 compound treatment 0.99 -0.0035 -0.04 1.014 0.0181 0.19 0.1111 0.5647 1019857 TimTec1_006599 O=C1N(C(C=C1Nc2ccccc2)c3ccccc3)c4ccccc4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 L22 compound treatment 1.279 0.285 2.96 1.322 0.326 3.48 4.5543 0.9967 1376758 TimTec1_006600 O=C(CCNc1ccccc1)n2c(=O)oc3ccccc23 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 L23 mock treatment 1.025 0.0315 0.33 0.967 -0.0289 -0.31 0.0123 0.0274 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 L24 mock treatment 1.022 0.0285 0.3 0.971 -0.0249 -0.27 0.0206 0.0518 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 M01 compound treatment 0.856 -0.138 -1.42 0.862 -0.134 -1.43 -2.0185 -1.0 3087505 TimTec1_006601 COc1ccc(OCCNC(=O)C)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 M02 compound treatment 1.043 0.0495 0.51 1.072 0.0761 0.81 0.9373 0.9753 3211642 TimTec1_006602 O=C(CSc1nc2ccccc2o1)N3CCNC3=O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 M03 compound treatment 0.996 0.0025 0.03 1.025 0.0291 0.31 0.2381 0.7634 3211643 TimTec1_006603 CCNS(=O)(=O)c1ccc(OC)c2ncccc12 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 M04 compound treatment 1.043 0.0495 0.51 1.061 0.0651 0.7 0.8542 0.9888 3087508 TimTec1_006604 CCOC(=O)c1c(C)n(N2C(=O)CSC2=S)c(C)c1C(=O)OCC 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 M05 compound treatment 1.305 0.312 3.23 1.393 0.397 4.24 5.281 0.9909 1629022 TimTec1_006605 COc1ccc2cnn(c3ccccc3)c(=O)c2c1OC 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 M06 compound treatment 0.732 -0.262 -2.71 0.745 -0.251 -2.68 -3.8105 -1.0 3087510 TimTec1_006606 C1CCN(CC1)c2ccc(nn2)n3ccnc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 M07 compound treatment 1.067 0.0735 0.76 1.084 0.0881 0.94 1.2038 0.9945 3211644 TimTec1_006607 CCC1(CC)C(OC(=O)C(C)(C)C1=O)c2ccccn2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 M08 compound treatment 1.183 0.19 1.96 1.25 0.254 2.71 3.3073 0.9873 3211645 TimTec1_006608 O=C1CC(Cc2nc(NCc3ccccc3)ncc12)c4ccco4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 M09 compound treatment 1.099 0.106 1.09 1.136 0.14 1.5 1.8309 0.988 1747097 TimTec1_006609 CC(=O)Oc1ccc(c(OC(=O)C)c1)C2(CCCC23)Oc4cc(OC(=O)C)ccc4C53CCCC5 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 M10 compound treatment 0.768 -0.226 -2.34 0.828 -0.168 -1.79 -2.9199 -0.9915 3088015 TimTec1_006610 Fc1ccc(COc2ccccc2CNC3CCCC3)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 M11 compound treatment 0.925 -0.0685 -0.71 0.913 -0.0829 -0.89 -1.128 -0.994 3088017 TimTec1_006611 OC(=O)CC(c1ccccc1)n2cnnn2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 M12 compound treatment 1.226 0.233 2.41 1.263 0.267 2.85 3.7204 0.9964 1301285 TimTec1_006612 COc1ccc2oc(=O)c(cc2c1)c3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 M13 compound treatment 0.933 -0.0605 -0.63 0.996 9.38E-5 0.0 -0.4424 -0.706 3211646 TimTec1_006613 CCOC(=O)COc1ccc(cc1)c2nnn[nH]2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 M14 compound treatment 0.63 -0.363 -3.76 0.638 -0.358 -3.82 -5.3658 -1.0 3088019 TimTec1_006614 COc1ccc2oc(=O)cc(O)c2c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 M15 compound treatment 0.097 -0.896 -9.29 0.107 -0.889 -9.5 -13.2805 -0.9999 1315478 TimTec1_006615 CCN(C(=S)Nc1cccnc1)c2ccccc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 M16 compound treatment 1.117 0.124 1.28 1.12 0.124 1.33 1.8419 0.9998 3088021 TimTec1_006616 COc1ccc2c(=O)c(coc2c1)c3ccc(OC)c(OC)c3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 M17 compound treatment 1.025 0.0315 0.33 1.006 0.0101 0.11 0.3069 0.8933 3211647 TimTec1_006617 CCCCS(=O)(=O)c1c(O)nc2ccc(Cl)cc2c1c3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 M18 compound treatment 1.1 0.107 1.1 1.071 0.0751 0.8 1.3472 0.9878 3088023 TimTec1_006618 COc1ccc(cc1)c2cc(=O)c3cccc(C)c3o2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 M19 compound treatment 1.32 0.327 3.38 1.359 0.363 3.88 5.134 0.9977 3211648 TimTec1_006619 CC1(C)CC(=O)C2=C(C1)Nc3cc4OCOc4cc3C2c5ccc(Cl)cc5 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 M20 compound treatment 0.778 -0.216 -2.23 0.857 -0.139 -1.48 -2.6276 -0.9803 3088025 TimTec1_006620 CC(Sc1ccccc1)C(=O)Nc2ccc(CC#N)cc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 M21 compound treatment 1.158 0.165 1.7 1.131 0.135 1.44 2.2252 0.9966 1664070 TimTec1_006621 CCC(C)c1ccccc1NC(=S)Nc2cccnc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 M22 compound treatment 1.037 0.0435 0.45 1.022 0.0261 0.28 0.5157 0.9734 1204548 TimTec1_006622 COc1cccc(c1)C(CC(=O)Nc2cccc3ccccc23)NC(=O)c4ccccc4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 M23 mock treatment 0.976 -0.0175 -0.18 0.925 -0.0709 -0.76 -0.6638 -0.8522 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 M24 mock treatment 1.048 0.0545 0.56 0.959 -0.0369 -0.39 0.1203 0.1748 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 N01 compound treatment 1.39 0.397 4.11 1.435 0.439 4.69 6.2208 0.9978 3211649 TimTec1_006623 CCc1c(C)n[n+]2cnn(Cc3ccccc3)c2c1O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 N02 compound treatment 0.817 -0.176 -1.83 0.667 -0.329 -3.51 -3.7772 -0.9536 1159257 TimTec1_006624 O=C(CC(c1ccccc1)c2ccccc2)NCC3COc4ccccc4O3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 N03 compound treatment 0.978 -0.0155 -0.16 0.968 -0.0279 -0.3 -0.3243 -0.9578 1523675 TimTec1_006625 CC(C)C1C(N(C)C(CC1(O)c2ccccc2)c3ccccc3)c4ccccc4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 N04 compound treatment 0.897 -0.0965 -1.0 0.933 -0.0629 -0.67 -1.1819 -0.9814 1565133 TimTec1_006626 OC(=O)C1C(C(C1c2ccccc2)C(=O)N3CCOCC3)c4ccccc4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 N05 compound treatment 1.094 0.101 1.04 1.153 0.157 1.68 1.9227 0.9736 3088098 TimTec1_006627 FC(F)(F)C(=O)Nc1cccc(c1)C(=O)OCC(=O)c2ccccc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 N06 compound treatment 0.171 -0.823 -8.52 0.171 -0.825 -8.81 -12.2551 -0.9999 1325486 TimTec1_006628 O=C(Nc1cc2cc[nH]c2cn1)c3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 N07 compound treatment 1.059 0.0655 0.68 1.137 0.141 1.51 1.5455 0.935 1651914 TimTec1_006629 Cc1nc2c(Cl)cccc2c(O)c1CC=C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 N08 compound treatment 1.354 0.36 3.73 1.371 0.375 4.01 5.4737 0.9994 1624701 TimTec1_006630 Nc1cc(nn1Cc2ccc(Cl)cc2)c3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 N09 compound treatment 0.893 -0.101 -1.04 0.947 -0.0489 -0.52 -1.1055 -0.9492 3211650 TimTec1_006631 Cc1ccc(cc1)S(=O)(=O)C2CS(=O)(=O)CC2S(=O)(=O)c3ccc(C)cc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 N10 compound treatment 0.922 -0.0715 -0.74 0.971 -0.0249 -0.27 -0.7118 -0.9046 1719238 TimTec1_006632 OC(=O)c1cnc2ccc(F)cc2c1O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 N11 compound treatment 0.609 -0.385 -3.98 0.733 -0.263 -2.81 -4.802 -0.9854 1420410 TimTec1_006633 O=C(Cc1ccccc1)NCC2(CCCC2)c3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 N12 compound treatment 1.292 0.298 3.09 1.377 0.381 4.07 5.0649 0.9908 3211651 TimTec1_006634 CCN(CC)C(=O)COc1cc(C)c(Cl)c(C)c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 N13 compound treatment 1.295 0.301 3.12 1.319 0.323 3.45 4.6488 0.9987 1106512 TimTec1_006635 Nc1nc(nc2sc3CCCCc3c12)c4ccccc4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 N14 compound treatment 1.307 0.314 3.25 1.342 0.346 3.7 4.9104 0.9979 3211652 TimTec1_006636 Cc1ccc(Sc2c(nc3ncccn23)c4ccccc4)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 N15 compound treatment 0.915 -0.0785 -0.81 0.956 -0.0399 -0.43 -0.8764 -0.9546 1300777 TimTec1_006637 CC1=CCC(NC1c2ccccc2)c3cnc(c(C)c3)c4ccccc4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 N16 compound treatment 0.328 -0.665 -6.89 0.369 -0.627 -6.7 -9.6096 -0.9999 3211653 TimTec1_006638 COc1cccc(CNCCc2ccccc2)c1OC 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 N17 compound treatment 1.075 0.0815 0.84 1.083 0.0871 0.93 1.2548 0.9988 1725536 TimTec1_006639 CC(=O)N1C(C2=C(CC(CC2=O)c3ccccc3F)Nc4ccccc14)c5ccccc5 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 N18 compound treatment 0.545 -0.449 -4.65 0.56 -0.436 -4.66 -6.5775 -1.0 1400907 TimTec1_006640 CCOC(=O)Cc1csc(NCC=C)n1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 N19 compound treatment 0.917 -0.0765 -0.79 0.943 -0.0529 -0.57 -0.9599 -0.9863 1270718 TimTec1_006641 CCOc1cccc(NC(=O)CC#N)c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 N20 compound treatment 0.892 -0.102 -1.05 0.903 -0.0929 -0.99 -1.4452 -0.9996 1455920 TimTec1_006642 CC1CC(=O)C(C)CN1CCc2ccccc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 N21 compound treatment 1.09 0.0965 1.0 1.035 0.0391 0.42 1.002 0.9251 3211654 TimTec1_006643 O=C1O/C(=C/C=C\2/OC(=O)c3ccccc23)/c4ccccc14 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 N22 compound treatment 1.189 0.196 2.02 1.19 0.194 2.07 2.898 0.9999 1354629 TimTec1_006644 Fc1ccccc1C(=O)N2c3ccccc3Sc4ccccc24 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 N23 mock treatment 0.947 -0.0465 -0.48 0.982 -0.0139 -0.15 -0.4456 -0.8841 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 N24 mock treatment 1.023 0.0295 0.31 0.948 -0.0479 -0.51 -0.1458 -0.2447 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 O01 compound treatment 1.103 0.11 1.13 1.128 0.132 1.41 1.7998 0.9941 3211758 TimTec1_006645 O=C(NCCOc1ccccc1Cc2ccccc2)c3ccc4OCOc4c3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 O02 compound treatment 0.941 -0.0525 -0.54 0.953 -0.0429 -0.46 -0.7086 -0.9964 3088109 TimTec1_006646 CC(=O)Nc1nonc1NC(=O)C2(CC3CC4CC(C3)C2)C4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 O03 compound treatment 0.994 5.0E-4 0.01 0.92 -0.0759 -0.81 -0.5698 -0.7026 3211759 TimTec1_006647 CN(C(=O)c1c(C)c(Cl)c(C)nc1Cl)c2ccccc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 O04 compound treatment 0.878 -0.116 -1.2 0.893 -0.103 -1.1 -1.6232 -0.9991 3088110 TimTec1_006648 N=C1C(=C(N2CCOCC2)c3cc4CCCCc4n13)C#N 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 O05 compound treatment 1.05 0.0565 0.59 1.132 0.136 1.45 1.4419 0.92 3088179 TimTec1_006649 CCOC(=O)c1ccc(NC2Nc3cc(C)nn3S2)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 O06 compound treatment 1.38 0.387 4.0 1.422 0.426 4.55 6.0494 0.9979 3088181 TimTec1_006650 Fc1ccc(Nc2nc3ccccc3o2)c(F)c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 O07 compound treatment 0.396 -0.598 -6.19 0.224 -0.772 -8.25 -10.207 -0.99 3088183 TimTec1_006651 CCn1c(=O)c(cc2cc(Cl)ccc12)c3ccc4ccccc4n3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 O08 compound treatment 0.895 -0.0985 -1.02 0.949 -0.0469 -0.5 -1.0757 -0.9464 3211760 TimTec1_006652 COC(=O)CC1N(CCNC1=O)C(=O)NC2CCCCC2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 O09 compound treatment 1.115 0.122 1.26 1.2 0.204 2.18 2.4316 0.9659 3211761 TimTec1_006653 CCC(Sc1nc(=O)cc(N)n1CCc2ccccc2)C(=O)Nc3nc(cs3)c4ccccc4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 O10 compound treatment 1.062 0.0685 0.71 1.119 0.123 1.32 1.4315 0.9581 3088185 TimTec1_006654 CSc1nnc(s1)N2C(=O)CC(C3=C2CCCC3=O)c4ccccc4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 O11 compound treatment 0.899 -0.0945 -0.98 0.914 -0.0819 -0.88 -1.3108 -0.9984 3211762 TimTec1_006655 C1CC(CCN1)c2nc3ccccc3[nH]2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 O12 compound treatment 0.097 -0.896 -9.29 0.093 -0.903 -9.65 -13.3863 -0.9998 1188337 TimTec1_006656 COc1ccc2cc(C#N)c(=O)oc2c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 O13 compound treatment 0.243 -0.75 -7.77 0.318 -0.678 -7.24 -10.6174 -0.9994 3211763 TimTec1_006657 COC(=O)/N=c/1\[cH-][n+](no1)c2ccc(Cl)cc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 O14 compound treatment 0.93 -0.0635 -0.66 1.007 0.0111 0.12 -0.3812 -0.5705 3088188 TimTec1_006658 COc1ccc(cc1OC)c2c(C)c3cc(Cl)c(O)cc3oc2=O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 O15 compound treatment 0.081 -0.912 -9.45 0.081 -0.915 -9.77 -13.5941 -0.9999 3211764 TimTec1_006659 CC12CCC3C(CC=C4CC(O)CCC34C)C2C/C(=C\c5ccc(F)cc5)/C1O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 O16 compound treatment 0.163 -0.831 -8.6 0.152 -0.844 -9.02 -12.4573 -0.9997 3088190 TimTec1_006660 CC(=O)n1c(=O)oc2ccccc12 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 O17 compound treatment 0.052 -0.942 -9.75 0.058 -0.938 -10.02 -13.9803 -0.9999 3211765 TimTec1_006661 CC1(C)CC(C)(c2ccccc2)c3cccc4/C(=C\5/SC(=O)NC5=O)/C(=O)N1c43 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 O18 compound treatment 1.351 0.357 3.7 1.375 0.379 4.05 5.4819 0.999 1529444 TimTec1_006662 O=C(N1CCCC1)c2ccc3OCOc3c2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 O19 compound treatment 0.99 -0.0035 -0.04 1.043 0.0471 0.5 0.3301 0.6545 3211766 TimTec1_006663 CCOc1ccc(cc1)C(CC(=O)O)NC(=O)c2c(C)onc2c3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 O20 compound treatment 0.78 -0.214 -2.21 0.823 -0.173 -1.85 -2.8697 -0.996 3088193 TimTec1_006664 CC(Sc1ccccc1)C(=O)Nc2cc(C)cc(C)c2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 O21 compound treatment 0.971 -0.0225 -0.23 0.966 -0.0299 -0.32 -0.3907 -0.988 3211767 TimTec1_006665 CCCc1nc(O)c2sc(=S)n(c3ccccc3)c2n1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 O22 compound treatment 1.045 0.0515 0.53 1.084 0.0881 0.94 1.0426 0.9638 1236651 TimTec1_006666 CCc1cc(C(=O)Cc2nc3ccccc3[nH]2)c(O)cc1O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 O23 mock treatment 0.899 -0.0945 -0.98 0.963 -0.0329 -0.35 -0.9407 -0.9045 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 O24 mock treatment 0.948 -0.0455 -0.47 0.926 -0.0699 -0.75 -0.8613 -0.9753 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 P01 compound treatment 0.915 -0.0785 -0.81 0.884 -0.112 -1.2 -1.4203 -0.9823 1473206 TimTec1_006667 CC1(C)CNC(=O)c2sc(nc2C1)N3CCCCC3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 P02 compound treatment 0.699 -0.294 -3.05 0.763 -0.233 -2.49 -3.9162 -0.9949 1588991 TimTec1_006668 Cc1ccc(c2csc(Nc3ccc(cc3)C(=O)O)n2)c(C)c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 P03 compound treatment 0.344 -0.649 -6.73 0.36 -0.636 -6.79 -9.5604 -1.0 1700904 TimTec1_006669 CCOC(=O)Cc1csc(NC(=O)CC)n1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 P04 compound treatment 0.811 -0.183 -1.89 0.811 -0.185 -1.98 -2.7334 -0.9998 1292116 TimTec1_006670 Brc1ccc(cc1)c2ccc(cn2)C3CCCCC3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 P05 compound treatment 1.08 0.0865 0.9 1.158 0.162 1.73 1.858 0.953 1398485 TimTec1_006671 Cc1ccc(C)c(NCc2ccc3OCOc3c2)c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 P06 compound treatment 0.903 -0.0905 -0.94 0.89 -0.106 -1.13 -1.4628 -0.9956 1394993 TimTec1_006672 C(Cn1c2nc(cn2c3ccccc13)c4ccccc4)N5CCCCC5 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 P07 compound treatment 0.592 -0.402 -4.16 0.627 -0.369 -3.94 -5.7272 -0.9996 1307464 TimTec1_006673 CC(C)C(=O)Nc1c(O)c2ccccc2[nH]c1=O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 P08 compound treatment 0.763 -0.231 -2.39 0.759 -0.237 -2.53 -3.4777 -0.9996 1718869 TimTec1_006674 CCCC(CCC)C(=O)Nc1cccc(c1)c2nc3ccccc3[nH]2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 P09 compound treatment 1.395 0.402 4.16 1.385 0.389 4.16 5.8797 1.0 3088199 TimTec1_006675 O=C(CSc1ccccc1)N2CCCCCC2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 P10 compound treatment 1.045 0.0515 0.53 1.06 0.0641 0.68 0.8613 0.9924 3211768 TimTec1_006676 CC(C)C/1Oc2cc3oc(=O)ccc3cc2\C1=N/O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 P11 compound treatment 0.914 -0.0795 -0.82 0.976 -0.0199 -0.21 -0.7326 -0.8615 1289028 TimTec1_006677 CN(C(=O)c1ccccc1)c2nc3ccccc3s2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 P12 compound treatment 0.818 -0.175 -1.82 0.793 -0.203 -2.17 -2.8181 -0.9962 1729839 TimTec1_006678 OC(=O)CCCC(=O)Nc1ccccn1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 P13 compound treatment 1.067 0.0735 0.76 1.084 0.0881 0.94 1.2038 0.9945 3088277 TimTec1_006679 COC(=O)C(C)Oc1nc(C)c(Br)c(OC)n1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 P14 compound treatment 0.975 -0.0185 -0.19 0.969 -0.0269 -0.29 -0.3387 -0.9806 1337521 TimTec1_006680 CCCc1c(O)c2ccccc2[nH]c1=O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 P15 compound treatment 0.908 -0.0855 -0.89 0.959 -0.0369 -0.39 -0.905 -0.9336 3211769 TimTec1_006681 CC(C)C1C(=C(N)OC2=C1C(=O)CC(C)(C)C2)C#N 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 P16 compound treatment 0.928 -0.0655 -0.68 0.931 -0.0649 -0.69 -0.97 -0.9999 1376316 TimTec1_006682 OC(=O)CCNc1ncnc2ccccc12 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 P17 compound treatment 0.791 -0.203 -2.1 0.836 -0.16 -1.71 -2.691 -0.9948 3211770 TimTec1_006683 COc1cccc(c1)N2C(=O)CN=C2Nc3nc(C)cc(C)n3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 P18 compound treatment 1.168 0.174 1.81 1.206 0.21 2.24 2.8651 0.9942 3211771 TimTec1_006684 CCC1CCC2(CC1)NNC(=S)NN2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 P19 compound treatment 0.905 -0.0885 -0.92 0.928 -0.0679 -0.73 -1.1611 -0.9933 1168709 TimTec1_006685 NC(=O)C1CCN(CC1)C(=O)c2ccco2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 P20 compound treatment 0.924 -0.0695 -0.72 1.021 0.0251 0.27 -0.3194 -0.4159 1615021 TimTec1_006686 Fc1ccc2[nH]c3C(CCCc3c2c1)NC=O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 P21 compound treatment 1.244 0.251 2.59 1.279 0.283 3.02 3.9731 0.9971 3088282 TimTec1_006687 CCCCc1nnc(NC(=O)CC)s1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 P22 compound treatment 0.563 -0.43 -4.46 0.449 -0.547 -5.84 -7.2842 -0.9911 1124526 TimTec1_006688 COc1ccc(CCNC2CCCCC2C)cc1OC 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 P23 mock treatment 0.969 -0.0245 -0.25 0.975 -0.0209 -0.22 -0.3374 -0.998 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2081 P24 mock treatment 0.926 -0.0675 -0.7 0.945 -0.0509 -0.54 -0.8789 -0.9923 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 A01 compound treatment 0.672 -0.353 -3.65 0.566 -0.237 -2.53 -4.3709 -0.9839 1191118 TimTec1_006689 COCC(C)NCc1cccc2ccccc12 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 A02 compound treatment 1.056 0.0314 0.33 0.886 0.0832 0.89 0.8587 0.907 1573567 TimTec1_006690 O=S(=O)(N1CCOCC1)c2ccc(cc2)c3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 A03 compound treatment 1.137 0.112 1.16 0.944 0.141 1.51 1.89 0.9918 1587133 TimTec1_006691 CC(C)OC(=O)C1=C(C)N(C)C(=O)NC1c2ccccc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 A04 compound treatment 1.066 0.0414 0.43 0.869 0.0662 0.71 0.8035 0.9712 1537360 TimTec1_006692 OCCN1C(=O)CSC21CCCCC2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 A05 compound treatment 1.075 0.0504 0.52 0.82 0.0172 0.18 0.4992 0.9019 3088287 TimTec1_006693 OC(=O)CC1NC(=NC1=O)Nc2nc3ccccc3o2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 A06 compound treatment 1.316 0.291 3.02 1.223 0.42 4.49 5.3085 0.9813 3211772 TimTec1_006694 C(Sc1ncnc2sc3CCCCc3c12)c4ccccc4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 A07 compound treatment 0.976 -0.0486 -0.5 0.814 0.0112 0.12 -0.2711 -0.5241 1192303 TimTec1_006695 OC(=O)CC1=C(CCC1=O)c2ccc(Cl)cc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 A08 compound treatment 1.095 0.0704 0.73 0.841 0.0382 0.41 0.8043 0.9624 1579568 TimTec1_006696 CC(C)N1CCN(Cc2ccc(F)cc2)CC1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 A09 compound treatment 1.113 0.0884 0.92 0.916 0.113 1.21 1.5027 0.9906 3211773 TimTec1_006697 CCCC(=O)Nc1ccccc1OC(F)(F)F 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 A10 compound treatment 0.72 -0.305 -3.15 0.531 -0.272 -2.9 -4.2838 -0.9991 3088290 TimTec1_006698 FC(F)(F)c1cccc(NC(=S)NC(=O)c2ccccc2)c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 A11 compound treatment 0.886 -0.139 -1.44 0.795 -0.00778 -0.08 -1.0738 -0.7468 1555167 TimTec1_006699 Clc1ccccc1NC(=O)CC2Nc3ccccc3NC2=O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 A12 compound treatment 1.03 0.00541 0.06 0.803 2.19E-4 0.0 0.0412 0.736 1739061 TimTec1_006700 Cc1nc2ccccc2c(O)c1CN(CC=C)CC=C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 A13 compound treatment 1.026 0.00141 0.01 0.746 -0.0568 -0.61 -0.4186 -0.6899 1541571 TimTec1_006701 COC(=O)C(CC(C)C)NC(=O)c1ccco1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 A14 compound treatment 1.297 0.272 2.82 1.186 0.383 4.09 4.8899 0.9835 1353905 TimTec1_006702 COc1ccc(cc1OC)C2(CCc3[nH]c4ccccc4c3C2)C#N 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 A15 compound treatment 0.904 -0.121 -1.25 0.684 -0.119 -1.27 -1.7805 -1.0 1788321 TimTec1_006703 Nc1ccc2[nH]c(Cc3ccccc3)nc2c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 A16 compound treatment 1.008 -0.0166 -0.17 0.686 -0.117 -1.25 -1.0037 -0.797 1538142 TimTec1_006704 CC(=O)Nc1ccc(cc1)S(=O)(=O)CCC(=O)O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 A17 compound treatment 1.002 -0.0226 -0.23 0.746 -0.0568 -0.61 -0.5944 -0.9142 3088294 TimTec1_006705 Brc1ccc(cc1)C(=O)COC(=O)c2cn(nc2c3ccccc3)c4ccccc4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 A18 compound treatment 0.929 -0.0956 -0.99 0.773 -0.0298 -0.32 -0.9251 -0.8895 1281666 TimTec1_006706 CC(C)(C)C(=O)Cn1c(NCCO)nc2ccccc12 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 A19 compound treatment 0.788 -0.237 -2.45 0.481 -0.322 -3.44 -4.1635 -0.9862 1640157 TimTec1_006707 CCOc1ccc(cc1)C(=O)OCCC2CCCN3CCCCC23 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 A20 compound treatment 0.584 -0.441 -4.56 0.376 -0.427 -4.56 -6.4507 -1.0 1913968 TimTec1_006708 Clc1ccc(NCn2nnc3ccccc23)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 A21 compound treatment 1.028 0.00341 0.04 0.814 0.0112 0.12 0.1097 0.878 1634555 TimTec1_006709 Cc1cccc(NC(=O)c2cc3ccccc3oc2=O)c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 A22 compound treatment 1.017 -0.00759 -0.08 0.796 -0.00678 -0.07 -0.1068 -0.9992 1298020 TimTec1_006710 CC1=CCC(C(C1)C(=O)Nc2nc3ccc(cc3s2)S(=O)(=O)C)C(=O)O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 A23 mock treatment 0.986 -0.0386 -0.4 0.769 -0.0338 -0.36 -0.5378 -0.9987 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 A24 mock treatment 0.984 -0.0406 -0.42 0.809 0.00622 0.07 -0.2503 -0.5881 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 B01 compound treatment 1.046 0.0214 0.22 0.873 0.0702 0.75 0.6872 0.8785 1702916 TimTec1_006711 CCC(=O)Nc1sc(C(=O)N2CCCCC2)c(C)c1C#N 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 B02 compound treatment 1.093 0.0684 0.71 0.897 0.0942 1.01 1.2127 0.9852 3211774 TimTec1_006712 Cc1ccccc1CNCCc2c[nH]c3ccccc23 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 B03 compound treatment 1.145 0.12 1.25 1.162 0.359 3.84 3.5954 0.891 1742610 TimTec1_006713 Cc1c(Cl)cccc1NC(=O)c2ccco2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 B04 compound treatment 1.058 0.0334 0.35 0.875 0.0722 0.77 0.7902 0.9345 1433621 TimTec1_006714 CN(C)c1nc2c(N)ncnc2[nH]1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 B05 compound treatment 1.07 0.0454 0.47 0.79 -0.0128 -0.14 0.236 0.4819 3211866 TimTec1_006715 O=S(=O)(CCC#N)c1ccc(Oc2ccc(cc2)S(=O)(=O)CCC#N)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 B06 compound treatment 0.267 -0.758 -7.85 0.213 -0.59 -6.3 -10.0036 -0.9941 3088376 TimTec1_006716 CC(Sc1ccccc1)C(=O)Nc2ccc(Cl)cc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 B07 compound treatment 0.146 -0.879 -9.1 0.122 -0.681 -7.27 -11.5772 -0.9938 1180218 TimTec1_006717 OC(=O)c1cc2c(ccc3ccccc32)oc1=O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 B08 compound treatment 1.084 0.0594 0.62 0.874 0.0712 0.76 0.9731 0.9945 3088379 TimTec1_006718 CC(C)c1cc(C(C)C)c(c(c1)C(C)C)S(=O)(=O)N2CCN=C2C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 B09 compound treatment 0.919 -0.106 -1.09 0.739 -0.0638 -0.68 -1.2551 -0.9741 1330797 TimTec1_006719 Cc1ccc(OCC(=O)Nc2ccccc2C(=O)N)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 B10 compound treatment 1.027 0.00241 0.02 0.789 -0.0138 -0.15 -0.0865 -0.5792 3211867 TimTec1_006720 O/N=C/1\CCCc2c1nc(c3ccccc3Cl)n2O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 B11 compound treatment 0.992 -0.0326 -0.34 0.755 -0.0478 -0.51 -0.5997 -0.9798 1713095 TimTec1_006721 CNC(=O)CC1Nc2ccccc2NC1=O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 B12 compound treatment 1.304 0.279 2.89 1.256 0.453 4.84 5.47 0.9697 1487671 TimTec1_006722 Cc1ccc(C)c(NC(=O)c2ccco2)c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 B13 compound treatment 1.088 0.0634 0.66 0.859 0.0562 0.6 0.889 0.999 1579293 TimTec1_006723 CCC(C)N1CCN(CC2CCC=CC2)CC1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 B14 compound treatment 1.304 0.279 2.89 1.243 0.44 4.7 5.3718 0.9728 3211868 TimTec1_006724 FC(F)(F)c1nn(CC(=O)N2CCCc3ccccc23)c4CCCCc14 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 B15 compound treatment 0.939 -0.0856 -0.89 0.688 -0.115 -1.23 -1.4939 -0.9873 3088384 TimTec1_006725 O/N=C/1\CCC2CN(CC2C1)C3CCCCC3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 B16 compound treatment 0.864 -0.161 -1.66 0.648 -0.155 -1.65 -2.3454 -1.0 3211869 TimTec1_006726 CCOC(=O)CSc1ncnc2sc(C)c(C)c12 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 B17 compound treatment 0.882 -0.143 -1.48 0.551 -0.252 -2.69 -2.9463 -0.9601 1621335 TimTec1_006727 Cc1cc(SCC(=O)Nc2ccccc2)c3ccccc3n1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 B18 compound treatment 1.022 -0.00259 -0.03 0.756 -0.0468 -0.5 -0.3724 -0.744 3088387 TimTec1_006728 CSC1=C(C#N)C(CC(=O)N1)c2ccc(cc2)C(C)C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 B19 compound treatment 0.943 -0.0816 -0.85 0.816 0.0132 0.14 -0.4977 -0.5809 1235770 TimTec1_006729 NC(=O)C1CCN(CCC(=O)Nc2ccccc2)CC1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 B20 compound treatment 1.099 0.0744 0.77 0.925 0.122 1.31 1.4682 0.9684 1483335 TimTec1_006730 COc1ccc(NC(=O)CC2(Cc3ccccc3)CCOC(C)(C)C2)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 B21 compound treatment 1.046 0.0214 0.22 0.786 -0.0168 -0.18 0.03 0.1052 1160668 TimTec1_006731 CC(C)C1(CN2CC3CN(C1)CC2)C3=O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 B22 compound treatment 0.754 -0.271 -2.8 0.691 -0.112 -1.19 -2.8261 -0.9277 1622689 TimTec1_006732 COc1ccc2NC(C3CC=CC3c2c1)c4cc5OCOc5cc4Br 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 B23 mock treatment 0.988 -0.0366 -0.38 0.803 2.19E-4 0.0 -0.2663 -0.7027 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 B24 mock treatment 0.985 -0.0396 -0.41 0.729 -0.0738 -0.79 -0.8473 -0.9536 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 C01 compound treatment 1.069 0.0444 0.46 0.793 -0.00978 -0.1 0.2513 0.5329 1335975 TimTec1_006733 C(CN1CCOCC1)Cn2c(cn3c2nc4ccccc43)c5ccccc5 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 C02 compound treatment 1.139 0.114 1.18 0.98 0.177 1.89 2.1766 0.9745 1454078 TimTec1_006734 COC(=O)c1ccc(cc1)c2nc3ccccc3o2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 C03 compound treatment 1.106 0.0814 0.84 0.898 0.0952 1.02 1.3155 0.9956 1235834 TimTec1_006735 COc1cccc(CN2CCN(CC2)C(C)C)c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 C04 compound treatment 0.98 -0.0446 -0.46 0.709 -0.0938 -1.0 -1.035 -0.9382 1253454 TimTec1_006736 Cc1ccc(O)c(CCc2ccc(O)cc2)n1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 C05 compound treatment 1.305 0.28 2.9 1.222 0.419 4.48 5.2204 0.978 3211870 TimTec1_006737 CN(Cc1ccccc1)C(=O)c2cc3nc(cc(n3n2)C(F)(F)F)c4ccc(C)cc4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 C06 compound treatment 1.047 0.0224 0.23 0.829 0.0262 0.28 0.3622 0.9956 1784507 TimTec1_006738 [O-][n+]1c2CCc3nonc3-c2nn1c4ccccc4Cl 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 C07 compound treatment 1.148 0.123 1.28 1.035 0.232 2.48 2.658 0.9524 1708265 TimTec1_006739 Clc1ccc(cc1)C(=O)NCC2(CCCC2)c3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 C08 compound treatment 1.312 0.287 2.98 1.197 0.394 4.21 5.0828 0.9856 1294485 TimTec1_006740 COC(=O)c1sc2nc(cc(c3ccccc3)c2c1N)c4ccccc4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 C09 compound treatment 0.915 -0.11 -1.14 0.686 -0.117 -1.25 -1.6848 -0.9989 1189050 TimTec1_006741 Brc1cc(Br)c2oc(=O)c(cc2c1)C(=O)OCc3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 C10 compound treatment 0.995 -0.0296 -0.31 0.792 -0.0108 -0.12 -0.2982 -0.9107 1225819 TimTec1_006742 Brc1ccc(cc1)C(=O)Oc2ccc3oc(=O)sc3c2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 C11 compound treatment 1.178 0.153 1.59 1.028 0.225 2.41 2.8248 0.9797 3211871 TimTec1_006743 OC(=O)c1cc(nc2ccc(Br)cc12)c3cccs3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 C12 compound treatment 1.181 0.156 1.62 0.998 0.195 2.09 2.6202 0.9922 1285755 TimTec1_006744 OC(=O)c1ccc(Nc2nc(cs2)c3ccc(Cl)c(Cl)c3)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 C13 compound treatment 1.397 0.372 3.86 1.298 0.495 5.29 6.4683 0.9879 1580452 TimTec1_006745 O(c1ccccc1)c2nnc(c3ccccc3)c4ccccc24 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 C14 compound treatment 0.996 -0.0286 -0.3 0.72 -0.0828 -0.88 -0.8348 -0.895 1550487 TimTec1_006746 CC(=O)N1CC(C=C(C)C1c2ccccc2)c3cnc(c(C)c3)c4ccccc4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 C15 compound treatment 1.225 0.2 2.08 1.124 0.321 3.43 3.8942 0.971 1546076 TimTec1_006747 COc1ccc2n(C)c(C)c(C(=O)CSc3ccccc3)c2c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 C16 compound treatment 1.001 -0.0236 -0.24 0.792 -0.0108 -0.12 -0.2542 -0.9411 3211872 TimTec1_006748 COc1ccc(CNCCC2(Cc3ccccc3)CC(C)N(C)CC2C)cc1OC 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 C17 compound treatment 1.331 0.306 3.17 1.308 0.505 5.4 6.0605 0.9679 3088471 TimTec1_006749 N#Cc1c(SCc2ccccc2C#N)nsc1SCc3ccccc3C#N 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 C18 compound treatment 1.202 0.177 1.84 1.096 0.293 3.13 3.5143 0.9677 1128012 TimTec1_006750 CC(C)CC(=O)NC(c1ccccc1)c2c(O)ccc3ccccc23 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 C19 compound treatment 1.054 0.0294 0.3 0.807 0.00422 0.05 0.2472 0.803 1522229 TimTec1_006751 COc1ccccc1C2C3=C(CCCC3=O)N(CC(=O)O)C4=C2C(=O)CCC4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 C20 compound treatment 0.76 -0.265 -2.74 0.597 -0.206 -2.2 -3.4923 -0.994 3211873 TimTec1_006752 CC(C)NC(=O)CSCc1ccc(Cl)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 C21 compound treatment 0.921 -0.104 -1.07 0.716 -0.0868 -0.93 -1.4142 -0.9974 1278138 TimTec1_006753 NC(=O)c1cc(N)ccc1N2CCCCC2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 C22 compound treatment 1.044 0.0194 0.2 0.803 2.19E-4 0.0 0.1438 0.7153 1148287 TimTec1_006754 CC(C)C1=CC2=C(CC(C)(C)CC2=O)OC1N(C)C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 C23 mock treatment 0.999 -0.0256 -0.27 0.766 -0.0368 -0.39 -0.4653 -0.9816 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 C24 mock treatment 1.052 0.0274 0.28 0.85 0.0472 0.5 0.5574 0.963 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 D01 compound treatment 1.106 0.0814 0.84 1.005 0.202 2.16 2.1238 0.9158 1357090 TimTec1_006755 Cc1ccc2n3CCN(CC#N)C4CCc(c43)c(=O)c2c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 D02 compound treatment 1.253 0.228 2.37 1.122 0.319 3.41 4.0842 0.984 3088476 TimTec1_006756 COc1ccc(cc1OC)c2cc(nc(N)c2C#N)c3ccc(Cl)c(Cl)c3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 D03 compound treatment 1.184 0.159 1.65 0.931 0.128 1.37 2.136 0.9957 1669245 TimTec1_006757 C(C#Cc1ccccc1)N2CCN(CC2)C(c3ccccc3)c4ccccc4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 D04 compound treatment 1.073 0.0484 0.5 0.863 0.0602 0.64 0.8094 0.9924 1279830 TimTec1_006758 O=c1cc(N2CCCC2)c3ccccc3o1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 D05 compound treatment 0.05 -0.975 -10.09 0.043 -0.76 -8.12 -12.877 -0.9942 3211874 TimTec1_006759 O=C1C(C(=O)c2ccccc12)c3ccc4ccccc4c3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 D06 compound treatment 1.063 0.0384 0.4 0.853 0.0502 0.54 0.6606 0.9892 1228770 TimTec1_006760 Fc1ccc(cc1)C(CCCN2CCN3CCCCCC3C2)c4ccc(F)cc4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 D07 compound treatment 1.142 0.117 1.22 0.93 0.127 1.36 1.8209 0.9985 1294456 TimTec1_006761 OC(=O)c1ccccc1C(=O)N(Cc2ccccc2)Cc3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 D08 compound treatment 1.131 0.106 1.1 0.977 0.174 1.86 2.0954 0.9687 1150523 TimTec1_006762 O=C1CC(CC2=C1C(Nc3ccccc3N2)c4ccccc4)c5ccccc5 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 D09 compound treatment 1.105 0.0804 0.83 1.037 0.234 2.5 2.3582 0.8942 3088554 TimTec1_006763 COc1ccc2c(c(C)oc2c1)c3ccc(Cl)cc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 D10 compound treatment 0.979 -0.0456 -0.47 0.777 -0.0258 -0.28 -0.5287 -0.9671 3088557 TimTec1_006764 CC(=O)Nc1ccc2n(C)c(C)nc2c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 D11 compound treatment 0.902 -0.123 -1.27 0.722 -0.0808 -0.86 -1.5081 -0.9823 1170616 TimTec1_006765 Cc1ccccc1NC(=O)CC2Nc3ccccc3NC2=O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 D12 compound treatment 1.279 0.254 2.63 1.212 0.409 4.37 4.9545 0.9706 1215173 TimTec1_006766 COc1ccccc1NC(=O)C2=C(C)NC3=C(C2c4ccc(Cl)cc4Cl)C(=O)CC(C)(C)C3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 D13 compound treatment 0.874 -0.151 -1.56 0.676 -0.127 -1.35 -2.0606 -0.9975 1235033 TimTec1_006767 Cc1c(oc2ccccc12)C(=O)OCCN3CCOCC3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 D14 compound treatment 0.928 -0.0966 -1.0 0.738 -0.0648 -0.69 -1.1968 -0.9838 1338758 TimTec1_006768 CC(C)Oc1ccc(CNC2CCOC(C)(C)C2)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 D15 compound treatment 1.462 0.437 4.53 1.262 0.459 4.91 6.6724 0.9992 3211875 TimTec1_006769 CCCOc1nc(cc(n1)c2ccccc2)c3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 D16 compound treatment 1.052 0.0274 0.28 0.927 0.124 1.33 1.1391 0.8394 3211876 TimTec1_006770 Cc1sc2ncnc(SCC(=O)Nc3cc(C)ccc3C)c2c1C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 D17 compound treatment 0.777 -0.248 -2.56 0.506 -0.297 -3.17 -4.0552 -0.9945 1122485 TimTec1_006771 Cc1ccc(cc1)c2cn3c(nc4ccccc43)n2CCCN5CCCCC5 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 D18 compound treatment 1.144 0.119 1.24 1.023 0.22 2.35 2.5381 0.9549 1249464 TimTec1_006772 COC(=O)c1ccc(cc1)C2Nc3c(cccc3C4C=CCC42)C(=O)OC 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 D19 compound treatment 0.962 -0.0626 -0.65 0.712 -0.0908 -0.97 -1.1442 -0.9808 1389916 TimTec1_006773 CC1CCN(CCC(=O)Nc2ccc3OCOc3c2)CC1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 D20 compound treatment 1.218 0.193 2.0 1.091 0.288 3.08 3.5937 0.9783 1429288 TimTec1_006774 CC(C)c1ccc(OCC(=O)NC(C)c2ccccc2)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 D21 compound treatment 0.172 -0.853 -8.83 0.158 -0.645 -6.89 -11.1148 -0.9925 1645937 TimTec1_006775 COc1cc(ccc1O)C(C#N)N2CCCCC2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 D22 compound treatment 0.53 -0.495 -5.12 0.225 -0.578 -6.17 -7.9869 -0.9957 3088562 TimTec1_006776 COc1ccc(Cl)cc1C(=O)CSc2cc(C)c3ccccc3n2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 D23 mock treatment 1.041 0.0164 0.17 0.855 0.0522 0.56 0.5146 0.8825 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 D24 mock treatment 1.036 0.0114 0.12 0.725 -0.0778 -0.83 -0.504 -0.6005 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 E01 compound treatment 1.084 0.0594 0.62 0.837 0.0342 0.37 0.6936 0.9691 1193138 TimTec1_006777 COC(=O)c1cc(CN2CCN(C)CC2)ccc1O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 E02 compound treatment 1.151 0.126 1.31 0.967 0.164 1.75 2.1663 0.9896 1776719 TimTec1_006778 Oc1[nH]c(=O)c(C#N)c2CCN(Cc3ccccc3)Cc12 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 E03 compound treatment 1.079 0.0544 0.56 0.878 0.0752 0.8 0.9667 0.9849 1574650 TimTec1_006779 CC(C)CNC(=O)c1cccc(NC(=O)c2ccco2)c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 E04 compound treatment 1.048 0.0234 0.24 0.882 0.0792 0.85 0.7699 0.8745 1646030 TimTec1_006780 CC(Nc1ncnc2ccccc12)C(=O)O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 E05 compound treatment 0.992 -0.0326 -0.34 0.838 0.0352 0.38 0.0273 0.0541 1655517 TimTec1_006781 CCCCC1(CC(C)(OC1=O)c2csc(N)n2)C(=O)OCC 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 E06 compound treatment 1.054 0.0294 0.3 0.868 0.0652 0.7 0.708 0.9311 1315927 TimTec1_006782 CN1CCCC(C1)OC(=O)c2ccco2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 E07 compound treatment 1.09 0.0654 0.68 0.891 0.0882 0.94 1.1454 0.9869 1216871 TimTec1_006783 CCCN(Cc1ccccc1)S(=O)(=O)c2ccc(cc2)N3C(=O)CCC3=O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 E08 compound treatment 1.112 0.0874 0.91 0.947 0.144 1.54 1.7296 0.9679 1623058 TimTec1_006784 COc1ccc(Cl)cc1Nc2nc3cc(C)ccc3cc2C#N 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 E09 compound treatment 1.024 -5.94E-4 -0.01 0.786 -0.0168 -0.18 -0.1311 -0.7309 3211956 TimTec1_006785 OC(=O)C1CC=CCC1C(=O)Nc2ccc(Cl)cc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 E10 compound treatment 0.76 -0.265 -2.74 0.64 -0.163 -1.74 -3.1674 -0.9759 1216589 TimTec1_006786 COc1ccc(cc1)N(C=O)C(C(=O)Nc2c(C)cccc2C)c3ccc(Cl)cc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 E11 compound treatment 0.22 -0.805 -8.33 0.164 -0.639 -6.82 -10.718 -0.9951 1547982 TimTec1_006787 C=CCC1(CCCCC1)Nc2ccccc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 E12 compound treatment 0.05 -0.975 -10.09 0.057 -0.746 -7.97 -12.7713 -0.9931 1164189 TimTec1_006788 Cc1nc(N)nc(O)c1Oc2ccccc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 E13 compound treatment 1.037 0.0124 0.13 0.833 0.0302 0.32 0.3191 0.9185 1614806 TimTec1_006789 CCC1(C)CC(CC(=O)OC(C)CN(C)C)(CCO1)c2ccccc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 E14 compound treatment 1.203 0.178 1.85 1.062 0.259 2.77 3.2648 0.9807 1071490 TimTec1_006790 COc1ccc(CCNC(=O)C(c2ccccc2)c3ccccc3)cc1OC 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 E15 compound treatment 1.249 0.224 2.32 1.159 0.356 3.81 4.3344 0.972 1306668 TimTec1_006791 COc1ccc(C)cc1NCc2ccccc2C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 E16 compound treatment 1.124 0.0994 1.03 0.996 0.193 2.06 2.1876 0.9484 1737928 TimTec1_006792 CCc1cc(C(=O)Cc2nc3ccccc3s2)c(O)cc1O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 E17 compound treatment 1.072 0.0474 0.49 1.007 0.204 2.18 1.8899 0.8451 1514112 TimTec1_006793 Clc1ccccc1CNC(=O)C2(CCCC2)c3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 E18 compound treatment 1.073 0.0484 0.5 0.824 0.0212 0.23 0.5148 0.9356 3088573 TimTec1_006794 CNCC(O)Cn1c2CCCCc2c3ccccc13 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 E19 compound treatment 1.099 0.0744 0.77 0.944 0.141 1.51 1.6117 0.9514 1478401 TimTec1_006795 CCCC(=O)Nc1sc(C(=O)Nc2cccc(C)c2C)c(C)c1C#N 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 E20 compound treatment 1.062 0.0374 0.39 0.897 0.0942 1.01 0.9857 0.9139 1241738 TimTec1_006796 COc1ccc(CCNC(=O)C(C)(C)C)cc1OC 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 E21 compound treatment 1.042 0.0174 0.18 0.806 0.00322 0.03 0.1518 0.8271 3087516 TimTec1_006797 CC(=O)Nc1c(O)nc(SCC(=O)N2CCOCC2)nc1O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 E22 compound treatment 1.212 0.187 1.94 1.072 0.269 2.88 3.4062 0.9817 1605940 TimTec1_006798 S=C(NCC1CCCO1)NC2CCCCC2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 E23 mock treatment 1.001 -0.0236 -0.24 0.727 -0.0758 -0.81 -0.7453 -0.8813 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 E24 mock treatment 0.994 -0.0306 -0.32 0.804 0.00122 0.01 -0.2148 -0.6775 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 F01 compound treatment 1.101 0.0764 0.79 0.93 0.127 1.36 1.5206 0.9669 1786318 TimTec1_006799 Cc1ccc(SCC(=O)Nc2cccnc2)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 F02 compound treatment 1.192 0.167 1.73 1.017 0.214 2.29 2.8443 0.9906 3087518 TimTec1_006800 Cc1ccc2nc(Nc3cccc(c3)C(F)(F)F)c(C#N)cc2c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 F03 compound treatment 1.047 0.0224 0.23 0.879 0.0762 0.81 0.7399 0.8738 1787075 TimTec1_006801 O=C(OCCN1CCOCC1)C(c2ccccc2)c3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 F04 compound treatment 1.064 0.0394 0.41 0.94 0.137 1.47 1.3252 0.8709 3211957 TimTec1_006802 Cc1ccc(cc1)S(=O)(=O)C(CC(=O)c2ccco2)c3ccc(Cl)cc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 F05 compound treatment 1.326 0.301 3.12 1.261 0.458 4.9 5.6688 0.9764 3087520 TimTec1_006803 COc1nc(nc2ccccc12)c3ccc(Cl)cc3Cl 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 F06 compound treatment 1.088 0.0634 0.66 0.873 0.0702 0.75 0.9948 0.9978 1271720 TimTec1_006804 Cc1ccccc1OCc2nnc(N)s2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 F07 compound treatment 1.092 0.0674 0.7 0.863 0.0602 0.64 0.9486 0.9992 1606230 TimTec1_006805 Cc1ccc(Nc2cc(=O)[nH]c(=O)[nH]2)cc1Cl 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 F08 compound treatment 1.012 -0.0126 -0.13 0.912 0.109 1.17 0.7328 0.6242 1628397 TimTec1_006806 Cn1c(SCC(=O)NC2CCCCC2)nc3n(C)c(=O)n(C)c(=O)c13 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 F09 compound treatment 1.127 0.102 1.06 0.906 0.103 1.1 1.5297 0.9998 1514196 TimTec1_006807 OC(=O)c1cccc(NC(=O)c2cc3ccccc3o2)c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 F10 compound treatment 0.984 -0.0406 -0.42 0.818 0.0152 0.16 -0.1823 -0.4045 1327645 TimTec1_006808 Nc1cccc(c1)C(=O)Nc2nccs2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 F11 compound treatment 1.06 0.0354 0.37 0.903 0.1 1.07 1.0164 0.8981 1408003 TimTec1_006809 CC(CC(=O)O)n1nnc2ccccc12 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 F12 compound treatment 1.051 0.0264 0.27 0.866 0.0632 0.68 0.671 0.9208 3211958 TimTec1_006810 NC(=O)Cn1nc(c2CCCCc21)C(F)(F)F 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 F13 compound treatment 1.043 0.0184 0.19 0.883 0.0802 0.86 0.7408 0.8438 1545556 TimTec1_006811 CNCC(O)CN1CCN(CC1)c2ccccc2OC 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 F14 compound treatment 1.308 0.283 2.94 1.224 0.421 4.5 5.2575 0.9786 1280870 TimTec1_006812 O=S1OCC(COc2cccc3ccccc23)O1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 F15 compound treatment 1.007 -0.0176 -0.18 0.858 0.0552 0.59 0.2883 0.4669 3087526 TimTec1_006813 CCc1ccc(nc1)c2ccc(Br)cc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 F16 compound treatment 1.127 0.102 1.06 0.95 0.147 1.57 1.8621 0.9816 1386778 TimTec1_006814 COc1cc(ccc1OCC(=O)Nc2ccccc2C)C3C(=C(N)OC4=C3C(=O)CC(C)(C)C4)C#N 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 F17 compound treatment 1.242 0.217 2.25 1.083 0.28 2.99 3.709 0.9901 1919073 TimTec1_006815 CC(C)(C)S(=O)(=O)c1cccs1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 F18 compound treatment 1.208 0.183 1.9 1.082 0.279 2.98 3.4525 0.9763 1656061 TimTec1_006816 COc1ccc(cc1)C2CC(=O)NC(=C2C#N)SCC=C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 F19 compound treatment 1.073 0.0484 0.5 0.82 0.0172 0.18 0.4846 0.9074 1199433 TimTec1_006817 Cc1ccc2n3CCN(CC(O)CN4CCCC4)C5CCCc(c53)c2c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 F20 compound treatment 1.026 0.00141 0.01 0.824 0.0212 0.23 0.1706 0.751 1221052 TimTec1_006818 Oc1ccc(NC(=O)c2c(O)c3ccccc3[nH]c2=O)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 F21 compound treatment 0.955 -0.0696 -0.72 0.759 -0.0438 -0.47 -0.8404 -0.9781 1475350 TimTec1_006819 CCN1N=C(CCC1=O)c2ccccc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 F22 compound treatment 1.059 0.0344 0.36 0.813 0.0102 0.11 0.3292 0.8832 1392419 TimTec1_006820 Cc1ccc(OCC(=O)N2CCN(CC3CC4CC3C=C4)CC2)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 F23 mock treatment 1.006 -0.0186 -0.19 0.833 0.0302 0.32 0.0921 0.245 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 F24 mock treatment 0.974 -0.0506 -0.52 0.859 0.0562 0.6 0.0542 0.068 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 G01 compound treatment 0.88 -0.145 -1.5 0.755 -0.0478 -0.51 -1.4199 -0.8974 1567385 TimTec1_006821 COc1ccc(CNc2cc(C)cc(C)c2)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 G02 compound treatment 0.664 -0.361 -3.73 0.526 -0.277 -2.96 -4.7317 -0.9933 3087531 TimTec1_006822 CC1CC2(CCCCC2)N(C(=O)C)c3ccccc13 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 G03 compound treatment 1.114 0.0894 0.93 1.047 0.244 2.61 2.4997 0.9029 3211959 TimTec1_006823 Cc1sc2ncnc(SCc3ccc(C)cc3)c2c1C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 G04 compound treatment 1.346 0.321 3.33 1.239 0.436 4.66 5.6491 0.9864 1130050 TimTec1_006824 CCC(C)OC(=O)C1=C(C)NC2=C(C1c3ccc(C)o3)C(=O)CC(C2)c4ccc(OC)c(OC)c4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 G05 compound treatment 1.036 0.0114 0.12 0.827 0.0242 0.26 0.2665 0.9369 1376669 TimTec1_006825 CC(Cc1ccccc1)NC(=O)C2CCCNC2=O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 G06 compound treatment 1.06 0.0354 0.37 0.852 0.0492 0.53 0.6311 0.9845 1285783 TimTec1_006826 OC(=O)C1C(C2CC1C=C2)C(=O)Nc3ccccc3O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 G07 compound treatment 1.039 0.0144 0.15 0.814 0.0112 0.12 0.1903 0.9941 1630547 TimTec1_006827 OCC(NC(=O)c1cncc(O)c1)C(=O)O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 G08 compound treatment 0.989 -0.0356 -0.37 0.652 -0.151 -1.61 -1.3997 -0.847 1290578 TimTec1_006828 NC1=C(C#N)C2(CCCCC2)C(=C(N1)SCc3ccccc3)C#N 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 G09 compound treatment 1.201 0.176 1.83 1.16 0.357 3.82 3.9904 0.9431 1492451 TimTec1_006829 O=C(CN(C1CCCCC1)C(=O)c2ccccc2)Nc3nc(cs3)c4ccccc4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 G10 compound treatment 0.995 -0.0296 -0.31 0.852 0.0492 0.53 0.1551 0.2548 1506265 TimTec1_006830 CC(CN1CCCCC1)OC(=O)c2ccco2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 G11 compound treatment 1.102 0.0774 0.8 0.91 0.107 1.15 1.3768 0.9848 1676645 TimTec1_006831 Clc1cccc(CN2CCN(CC2)C(=O)c3cccs3)c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 G12 compound treatment 1.09 0.0654 0.68 0.945 0.142 1.52 1.5534 0.9338 1179682 TimTec1_006832 CCOc1ccc2nc3CCCCc3c(C(=O)O)c2c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 G13 compound treatment 1.114 0.0894 0.93 0.954 0.151 1.62 1.7971 0.9651 3212025 TimTec1_006833 CS(=O)(=O)c1ccc2nc(NC(=O)c3ccccc3Br)sc2c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 G14 compound treatment 1.044 0.0194 0.2 0.848 0.0452 0.48 0.4837 0.9245 1719128 TimTec1_006834 CCCCC1CN2CCc3c([nH]c4ccccc34)C2(C)C1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 G15 compound treatment 1.12 0.0954 0.99 1.003 0.2 2.14 2.2112 0.9385 1540479 TimTec1_006835 CNC(=O)c1c(O)c2ccccc2n(C)c1=O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 G16 compound treatment 1.215 0.19 1.97 1.142 0.339 3.62 3.957 0.9591 3087554 TimTec1_006836 CC(C)C(=O)Nc1cccc2nsnc12 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 G17 compound treatment 1.039 0.0144 0.15 0.868 0.0652 0.7 0.5982 0.8395 1681031 TimTec1_006837 CCC(C)N1CCN(CC1)C(=O)C(c2ccccc2)c3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 G18 compound treatment 0.63 -0.395 -4.09 0.486 -0.317 -3.38 -5.2829 -0.9956 1312686 TimTec1_006838 CCOC(=O)c1sc(nc1C)N2C(C(=C(O)C2=O)C(=O)c3ccc(OC)c(C)c3)c4ccccc4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 G19 compound treatment 0.884 -0.141 -1.46 0.809 0.00622 0.07 -0.9827 -0.6741 3087555 TimTec1_006839 CC(=O)n1c(=O)n(C(=O)C)c2ccccc12 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 G20 compound treatment 1.067 0.0424 0.44 0.913 0.11 1.18 1.1432 0.9096 3212026 TimTec1_006840 COc1ccc(CNCCC2(CCOC(C)(C)C2)c3ccccc3)cc1OC 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 G21 compound treatment 0.965 -0.0596 -0.62 0.828 0.0252 0.27 -0.2459 -0.3652 1426762 TimTec1_006841 CC(=C)CNCC1OCCc2ccccc12 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 G22 compound treatment 1.203 0.178 1.85 1.126 0.323 3.45 3.7482 0.9571 1432528 TimTec1_006842 Fc1ccccc1C(=O)N2CCC(Cc3ccccc3)CC2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 G23 mock treatment 1.023 -0.00159 -0.02 0.816 0.0132 0.14 0.0882 0.6202 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 G24 mock treatment 0.997 -0.0276 -0.29 0.813 0.0102 0.11 -0.1249 -0.4082 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 H01 compound treatment 1.144 0.119 1.24 0.913 0.11 1.18 1.7071 0.9997 1714695 TimTec1_006843 Nc1nncn1C(=O)c2ccccc2F 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 H02 compound treatment 1.179 0.154 1.6 1.037 0.234 2.5 2.9001 0.9766 3087557 TimTec1_006844 Cc1sc(NC(=O)c2cccc(C)c2)c(C#N)c1C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 H03 compound treatment 1.09 0.0654 0.68 0.977 0.174 1.86 1.7951 0.9063 1542138 TimTec1_006845 OC(=O)CC(NC(=O)c1ccccc1Cl)c2ccccc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 H04 compound treatment 0.867 -0.158 -1.63 0.668 -0.135 -1.44 -2.1723 -0.998 1720177 TimTec1_006846 Brc1ccc(o1)C(=O)Nc2ccccn2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 H05 compound treatment 0.96 -0.0646 -0.67 0.778 -0.0248 -0.26 -0.6603 -0.9177 1733502 TimTec1_006847 COc1ccccc1NC(=O)Cc2csc(N)n2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 H06 compound treatment 0.864 -0.161 -1.66 0.764 -0.0388 -0.41 -1.4691 -0.8571 1681208 TimTec1_006848 O=C1OC2(C3CCCC2C31Sc4ccccc4)c5ccccc5 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 H07 compound treatment 1.163 0.138 1.43 0.99 0.187 2.0 2.4279 0.9867 1675342 TimTec1_006849 CC1(C)Cc2c(CO1)sc3c2c(=O)n(Cc4ccccc4)c5nncn53 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 H08 compound treatment 0.607 -0.418 -4.33 0.38 -0.423 -4.52 -6.252 -0.9998 3212027 TimTec1_006850 CC(C)CCn1c(nc2ccccc12)C(C)O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 H09 compound treatment 0.858 -0.167 -1.73 0.627 -0.176 -1.88 -2.5479 -0.9991 1775014 TimTec1_006851 Oc1c(C(=O)NCCN2CCOCC2)c(=O)[nH]c3ccccc13 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 H10 compound treatment 1.25 0.225 2.33 1.195 0.392 4.19 4.6137 0.9619 1635890 TimTec1_006852 CCCCC(=O)Nc1sc2CCCCc2c1C#N 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 H11 compound treatment 0.988 -0.0366 -0.38 0.819 0.0162 0.17 -0.1455 -0.3491 3087563 TimTec1_006853 OC(=O)c1ccc(CSCc2ccccc2)o1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 H12 compound treatment 1.041 0.0164 0.17 0.877 0.0742 0.79 0.6808 0.8396 3212028 TimTec1_006854 C(Cc1nc2ccccc2s1)c3nc4ccccc4s3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 H13 compound treatment 1.252 0.227 2.36 1.133 0.33 3.53 4.16 0.9807 1288163 TimTec1_006855 CCc1nc(NCc2ccccc2)c(C#N)c3CC(C)(C)OCc13 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 H14 compound treatment 1.235 0.21 2.18 1.121 0.318 3.4 3.9448 0.9769 1574023 TimTec1_006856 O=C(CSCc1ccccc1)Nc2ccc3OCOc3c2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 H15 compound treatment 1.086 0.0614 0.64 0.816 0.0132 0.14 0.5496 0.8436 1780586 TimTec1_006857 COc1ccc(cc1OC)/C(=C/N2CCOCC2)/C#N 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 H16 compound treatment 1.21 0.185 1.92 1.114 0.311 3.32 3.7088 0.966 1294188 TimTec1_006858 CCOC(=O)CSC1=C(C#N)C(C(=C(C)N1)C(=O)Nc2ccccc2OC)c3ccccc3Cl 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 H17 compound treatment 0.963 -0.0616 -0.64 0.777 -0.0258 -0.28 -0.6458 -0.9295 1244483 TimTec1_006859 O=C(Nc1ccccn1)c2cccc(c2)C(=O)Nc3ccccn3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 H18 compound treatment 1.06 0.0354 0.37 0.894 0.0912 0.97 0.9484 0.9108 1620067 TimTec1_006860 OC(=O)CSCC(=O)N(c1ccccc1)c2ccccc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 H19 compound treatment 1.095 0.0704 0.73 0.892 0.0892 0.95 1.1896 0.9913 3212030 TimTec1_006861 CN(C)c1ccc(cc1)C(=O)N2CCCC2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 H20 compound treatment 1.113 0.0884 0.92 0.852 0.0492 0.53 1.0193 0.9653 1410666 TimTec1_006862 CC(C)N1CCN(CC1)C(=O)c2ccc(F)cc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 H21 compound treatment 1.128 0.103 1.07 0.961 0.158 1.69 1.9525 0.9758 3087568 TimTec1_006863 COC(=O)c1ccc(C(=O)OC)c2c(ccc(C(=O)OC)c12)C(=O)OC 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 H22 compound treatment 1.061 0.0364 0.38 0.903 0.1 1.07 1.0237 0.9018 1331832 TimTec1_006864 O=C(Cc1ccccc1)N2CCN(CCCc3ccccc3)CC2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 H23 mock treatment 1.023 -0.00159 -0.02 0.826 0.0232 0.25 0.1637 0.6586 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 H24 mock treatment 1.002 -0.0226 -0.23 0.759 -0.0438 -0.47 -0.4962 -0.9488 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 I01 compound treatment 1.06 0.0354 0.37 0.88 0.0772 0.82 0.8426 0.9334 1174741 TimTec1_006865 Brc1ccc(cc1)C(=O)N(C2CCCCC2)c3ccccn3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 I02 compound treatment 1.145 0.12 1.25 0.915 0.112 1.2 1.7295 0.9998 3087571 TimTec1_006866 COC(=O)C(N)CSC1CCCCO1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 I03 compound treatment 1.237 0.212 2.2 1.198 0.395 4.22 4.5411 0.9538 3212031 TimTec1_006867 COC(=O)c1ccccc1NC(=O)CSc2ccccc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 I04 compound treatment 1.125 0.1 1.04 0.92 0.117 1.25 1.6208 0.9957 1545093 TimTec1_006868 CCC(Sc1nc2ccccc2n1CC)C(=O)O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 I05 compound treatment 1.077 0.0524 0.54 0.97 0.167 1.79 1.647 0.8821 1715211 TimTec1_006869 COc1ccc2[nH]c3c(=O)[nH]cnc3c2c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 I06 compound treatment 1.162 0.137 1.42 1.025 0.222 2.37 2.685 0.97 3087574 TimTec1_006870 Cc1c(csc1c2ccccc2)C(=O)Nc3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 I07 compound treatment 1.473 0.448 4.64 1.472 0.669 7.15 8.3393 0.9782 1913865 TimTec1_006871 c1c(nn(c1c2ccccc2)c3ccccc3)c4ccccc4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 I08 compound treatment 1.203 0.178 1.85 1.112 0.309 3.3 3.6425 0.9623 1606194 TimTec1_006872 CCOc1ccc(cc1)N(Cc2cccc3ccccc23)C(=O)c4ccco4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 I09 compound treatment 0.969 -0.0556 -0.58 0.813 0.0102 0.11 -0.3299 -0.563 1715376 TimTec1_006873 Cn1c(CC(O)c2cccc3ccccc23)nc4ccccc14 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 I10 compound treatment 0.978 -0.0466 -0.48 0.757 -0.0458 -0.49 -0.6871 -1.0 1788181 TimTec1_006874 CC(CN1CCCCC1)OC(=O)c2cccs2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 I11 compound treatment 1.163 0.138 1.43 0.992 0.189 2.02 2.443 0.9858 3212032 TimTec1_006875 CCc1ccc2[nH]c(=O)c(cc2c1)C(N3CCc4ccccc4C3)c5nnnn5C(C)(C)C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 I12 compound treatment 0.991 -0.0336 -0.35 0.815 0.0122 0.13 -0.1537 -0.4137 1156988 TimTec1_006876 CCc1nc2ccccc2c(C(=O)Nc3cccc(Cl)c3)c1C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 I13 compound treatment 1.11 0.0854 0.88 1.055 0.252 2.69 2.5308 0.8924 1413757 TimTec1_006877 CCOc1ccccc1NC(=O)CSc2ccc(C)cc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 I14 compound treatment 0.178 -0.847 -8.77 0.167 -0.636 -6.79 -11.0029 -0.992 1330225 TimTec1_006878 CCCN(CCC)c1ncnc2ccc(Br)cc12 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 I15 compound treatment 1.093 0.0684 0.71 0.936 0.133 1.42 1.5073 0.9481 1340925 TimTec1_006879 C(N1CCNCC1)c2cccc3ccccc23 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 I16 compound treatment 0.724 -0.301 -3.11 0.485 -0.318 -3.39 -4.602 -0.9991 1241212 TimTec1_006880 CCN1CCc2c(C#N)c(N)sc2C1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 I17 compound treatment 0.29 -0.735 -7.61 0.146 -0.657 -7.02 -10.3413 -0.9992 1412589 TimTec1_006881 Nc1c(sc2nccc(Nc3ccccc3)c12)C(=O)c4ccccc4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 I18 compound treatment 1.394 0.369 3.83 1.372 0.569 6.08 7.0054 0.9751 3212033 TimTec1_006882 CCc1noc2CC(C/C(=N/O)/c12)c3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 I19 compound treatment 1.006 -0.0186 -0.19 0.755 -0.0478 -0.51 -0.4971 -0.9112 1592654 TimTec1_006883 O=C(CCN1CCCCC1)NCC2OCCc3ccccc23 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 I20 compound treatment 0.905 -0.12 -1.24 0.671 -0.132 -1.41 -1.8714 -0.998 1513792 TimTec1_006884 O=c1oc2ccccc2n1Cn3c(=O)oc4ccccc34 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 I21 compound treatment 1.254 0.229 2.38 1.172 0.369 3.94 4.4692 0.9706 1204391 TimTec1_006885 COc1ccc(cc1)c2c(C)oc3ccc(Cl)cc23 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 I22 compound treatment 1.242 0.217 2.25 1.156 0.353 3.77 4.2605 0.9696 1380204 TimTec1_006886 CCN(Cc1ccccc1)c2ccc(cc2)C3C4=C(CCCC4=O)Nc5[nH]c(=O)[nH]c(=O)c35 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 I23 mock treatment 1.01 -0.0146 -0.15 0.785 -0.0178 -0.19 -0.2412 -0.9936 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 I24 mock treatment 1.028 0.00341 0.04 0.793 -0.00978 -0.1 -0.0489 -0.4438 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 J01 compound treatment 0.061 -0.964 -9.98 0.062 -0.741 -7.91 -12.6529 -0.9934 3087584 TimTec1_006887 Clc1nc(Cl)nc(Nc2ccccc2)n1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 J02 compound treatment 1.288 0.263 2.73 1.231 0.428 4.57 5.1639 0.9695 1255613 TimTec1_006888 CC1OC(C)C(C)C(O1)c2ccccc2O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 J03 compound treatment 1.11 0.0854 0.88 0.981 0.178 1.9 1.9718 0.9392 3212106 TimTec1_006889 CS(=O)(O)C1=C(O)C(=O)N(CCCC(=O)O)C1c2ccccc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 J04 compound treatment 1.295 0.27 2.8 1.207 0.404 4.32 5.0339 0.978 1787696 TimTec1_006890 CCCOc1cccc(NC(=O)c2occc2C)c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 J05 compound treatment 1.182 0.157 1.63 1.039 0.236 2.52 2.9372 0.9776 1641308 TimTec1_006891 O=C(Cn1nnc(n1)c2ccccc2)N(c3ccccc3)c4ccc5ccccc5c4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 J06 compound treatment 0.676 -0.349 -3.61 0.487 -0.316 -3.37 -4.9384 -0.9994 1234881 TimTec1_006892 Nc1ncc(Cc2cccc(Cl)c2)s1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 J07 compound treatment 1.287 0.262 2.72 1.192 0.389 4.16 4.862 0.9788 1553139 TimTec1_006893 O=S(=O)(N1CCOCC1)c2ccc3oc4ccccc4c3c2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 J08 compound treatment 1.123 0.0984 1.02 0.921 0.118 1.26 1.6137 0.9943 1369411 TimTec1_006894 OC(COc1ccccc1Br)CN2CCNCC2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 J09 compound treatment 0.824 -0.201 -2.08 0.634 -0.169 -1.8 -2.7441 -0.9975 3212107 TimTec1_006895 Cc1ccc(SCC(=O)NC(C)(C)C)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 J10 compound treatment 0.951 -0.0736 -0.76 0.793 -0.00978 -0.1 -0.6129 -0.7966 3087605 TimTec1_006896 NC(Cc1cccc2nsnc12)C(=O)O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 J11 compound treatment 0.975 -0.0496 -0.51 0.822 0.0192 0.21 -0.218 -0.3941 1081906 TimTec1_006897 Clc1ccc(OCc2ccccc2)c(Cl)c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 J12 compound treatment 1.245 0.22 2.28 1.152 0.349 3.73 4.2522 0.9722 1194697 TimTec1_006898 CC1(C)CC(=O)c2cc3c(N)c(sc3nc2C1)C(=O)c4ccc(Cl)cc4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 J13 compound treatment 1.176 0.151 1.57 0.928 0.125 1.34 2.0548 0.9969 1782465 TimTec1_006899 CNc1c(NC(=O)C)c(=O)oc2ccccc12 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 J14 compound treatment 1.084 0.0594 0.62 0.897 0.0942 1.01 1.1468 0.9721 1212146 TimTec1_006900 O=C(COc1ccccc1)NCc2ccncc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 J15 compound treatment 1.337 0.312 3.24 1.205 0.402 4.3 5.3264 0.9902 1194336 TimTec1_006901 COc1ccc(Nc2nc3nonc3nc2N4CCCCCC4)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 J16 compound treatment 1.173 0.148 1.54 0.99 0.187 2.0 2.5011 0.9915 1574232 TimTec1_006902 CC1(C)CC(=O)C2=C(C1)Nc3ccccc3N(C2c4cccs4)C(=O)C5CC5 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 J17 compound treatment 0.052 -0.973 -10.07 0.054 -0.749 -8.0 -12.7793 -0.9935 1580883 TimTec1_006903 Nc1c(C#N)sc2nc(N3CCCCC3)c4CCCCc4c12 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 J18 compound treatment 1.147 0.122 1.27 1.041 0.238 2.54 2.696 0.9482 3212108 TimTec1_006904 CC(NC(=O)c1ccccc1)c2cccs2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 J19 compound treatment 1.17 0.145 1.51 0.989 0.186 1.99 2.4716 0.9906 1166248 TimTec1_006905 CSc1ccc(CN2CCN(Cc3cccc(C)c3)CC2)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 J20 compound treatment 1.019 -0.00559 -0.06 0.801 -0.00178 -0.02 -0.0544 -0.8925 3087610 TimTec1_006906 CCC(Cc1ccccc1)NC(=O)CC 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 J21 compound treatment 1.063 0.0384 0.4 0.838 0.0352 0.38 0.5473 0.9996 1446397 TimTec1_006907 OC(=O)c1ccc2[nH]c3CCSCc3c2c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 J22 compound treatment 1.002 -0.0226 -0.23 0.776 -0.0268 -0.29 -0.3678 -0.995 1265101 TimTec1_006908 CC(CN1CCOCC1)OC(=O)C2COc3ccccc3O2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 J23 mock treatment 0.972 -0.0526 -0.54 0.829 0.0262 0.28 -0.1871 -0.3055 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 J24 mock treatment 1.066 0.0414 0.43 0.766 -0.0368 -0.39 0.0254 0.0436 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 K01 compound treatment 1.339 0.314 3.26 1.187 0.384 4.1 5.205 0.9934 1298728 TimTec1_006909 Clc1ccc(OCC(=O)N(C2CCCCC2)c3ccccn3)c(Cl)c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 K02 compound treatment 0.18 -0.845 -8.75 0.169 -0.634 -6.77 -10.9731 -0.992 1532077 TimTec1_006910 Cc1c(C)c2cc(ccc2n1Cc3ccccc3)C(=O)OCCN4CCOCC4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 K03 compound treatment 0.2 -0.825 -8.54 0.177 -0.626 -6.69 -10.7662 -0.9927 1516458 TimTec1_006911 OC1(CCN(Cc2ccccc2)[C@@H]3CCCC[C@@H]31)c4ccccc4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 K04 compound treatment 1.088 0.0634 0.66 0.913 0.11 1.18 1.297 0.962 1296444 TimTec1_006912 Fc1ccccc1C(=O)N2CCNCC2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 K05 compound treatment 1.249 0.224 2.32 1.096 0.293 3.13 3.8585 0.9892 1669803 TimTec1_006913 CC(=O)Nc1ccc(cc1)C(C#N)c2ccccc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 K06 compound treatment 0.751 -0.274 -2.83 0.566 -0.237 -2.53 -3.7924 -0.9984 3212109 TimTec1_006914 CCC1CCCCN1C(=O)c2ccc(cc2)C(C)(C)C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 K07 compound treatment 1.149 0.124 1.29 0.874 0.0712 0.76 1.4491 0.9684 1352014 TimTec1_006915 CCOc1ccc(CN2CCN(Cc3ccco3)CC2)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 K08 compound treatment 1.129 0.104 1.08 0.861 0.0582 0.62 1.2044 0.9655 1338673 TimTec1_006916 COc1ccc(CCNC(=O)c2ccccc2)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 K09 compound treatment 0.975 -0.0496 -0.51 0.8 -0.00278 -0.03 -0.3842 -0.7468 1695069 TimTec1_006917 COc1ccc(cc1)c2csc(NCC=C)n2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 K10 compound treatment 1.006 -0.0186 -0.19 0.761 -0.0418 -0.45 -0.4518 -0.9294 1788186 TimTec1_006918 CC(CN1CCOCC1)OC(=O)c2ccc3OCCOc3c2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 K11 compound treatment 1.167 0.142 1.47 1.044 0.241 2.58 2.8651 0.9649 3212110 TimTec1_006919 CCc1ccc2[nH]c(=O)c(cc2c1)C(N3CCN(CC3)C(=O)c4ccco4)c5nnnn5C(C)(C)C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 K12 compound treatment 1.165 0.14 1.45 0.943 0.14 1.5 2.0875 0.9999 1144082 TimTec1_006920 CCc1c(C)nc2ccc(OC)cc2c1Cl 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 K13 compound treatment 1.138 0.113 1.17 0.939 0.136 1.46 1.8596 0.9944 1778845 TimTec1_006921 OC(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 K14 compound treatment 0.233 -0.792 -8.2 0.191 -0.612 -6.54 -10.4188 -0.9937 3087618 TimTec1_006922 CCN(CC)c1scc([s+]1)c2ccc(Cl)cc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 K15 compound treatment 1.086 0.0614 0.64 0.923 0.12 1.28 1.3579 0.9475 1353321 TimTec1_006923 CCCOc1ccc(cc1)C(=O)N2CCCC2C(=O)O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 K16 compound treatment 0.095 -0.93 -9.63 0.093 -0.71 -7.58 -12.1698 -0.993 1042930 TimTec1_006924 CC(C)CCOc1ccc(cc1)C(=O)O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 K17 compound treatment 1.195 0.17 1.76 1.056 0.253 2.71 3.1608 0.9786 1312438 TimTec1_006925 CC(NC(=O)c1ccccc1)C2COc3ccccc3O2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 K18 compound treatment 1.404 0.379 3.93 1.286 0.483 5.16 6.4289 0.9909 1382221 TimTec1_006926 CCOC(=O)c1[nH]c2ccccc2c1NC=O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 K19 compound treatment 0.995 -0.0296 -0.31 0.773 -0.0298 -0.32 -0.4417 -0.9998 1215729 TimTec1_006927 Cc1cc2c(o1)-c3c(CCC2(C)c4ccccc4)oc5ccccc35 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 K20 compound treatment 1.126 0.101 1.05 0.959 0.156 1.67 1.9228 0.9751 1052507 TimTec1_006928 OC(CC(=O)Nc1ccccc1)(c2ccccc2)c3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 K21 compound treatment 1.038 0.0134 0.14 0.857 0.0542 0.58 0.5078 0.8525 3087624 TimTec1_006929 COC(=O)CCCCC1=C(NC(=O)C)C(CS1)NC(=O)c2ccccc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 K22 compound treatment 1.291 0.266 2.76 1.222 0.419 4.48 5.1179 0.9729 3212111 TimTec1_006930 CC1CCN(CC1)C(=O)c2ccc(C)cc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 K23 mock treatment 1.019 -0.00559 -0.06 0.77 -0.0328 -0.35 -0.2886 -0.813 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 K24 mock treatment 1.059 0.0344 0.36 0.784 -0.0188 -0.2 0.1101 0.2692 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 L01 compound treatment 1.124 0.0994 1.03 0.922 0.119 1.27 1.6286 0.9944 1026720 TimTec1_006931 Cc1nc2ccc(cc2nc1C)C(=O)O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 L02 compound treatment 1.189 0.164 1.7 1.04 0.237 2.53 2.996 0.9813 1370462 TimTec1_006932 CCc1ccc(CN2CCN(CC2)C(=O)c3ccccc3)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 L03 compound treatment 0.763 -0.262 -2.71 0.577 -0.226 -2.41 -3.6214 -0.9983 3212112 TimTec1_006933 C(Cc1ccc2OCOc2c1)NCc3ccc4ccccc4c3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 L04 compound treatment 1.127 0.102 1.06 0.991 0.188 2.01 2.1718 0.9553 1152478 TimTec1_006934 COc1cc(cc(OC)c1OC)C(=O)N2CCNCC2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 L05 compound treatment 1.085 0.0604 0.63 1.005 0.202 2.16 1.97 0.8759 1921415 TimTec1_006935 O=C(C(c1ccccc1)c2ccccc2)N3CCCC3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 L06 compound treatment 1.11 0.0854 0.88 0.913 0.11 1.18 1.4581 0.9901 1655667 TimTec1_006936 OC(=O)CCNC(=O)c1ccc2OCCOc2c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 L07 compound treatment 1.195 0.17 1.76 1.077 0.274 2.93 3.3195 0.9706 1189724 TimTec1_006937 COc1ccc(cc1)C(=O)NC(C)Cc2ccccc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 L08 compound treatment 1.088 0.0634 0.66 0.881 0.0782 0.84 1.0552 0.9929 3212113 TimTec1_006938 COc1ccc(cc1)C2CC(=O)C=C(C2)Nc3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 L09 compound treatment 1.244 0.219 2.27 1.185 0.382 4.08 4.4942 0.9617 3087630 TimTec1_006939 Brc1ccc(cc1)C(=O)COC(=O)Cc2cccc3ccccc23 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 L10 compound treatment 1.232 0.207 2.15 1.163 0.36 3.85 4.2401 0.9621 3212114 TimTec1_006940 CC1CCN(C2CCCCC12)C(=O)c3cc4nc(cc(n4n3)C(F)(F)F)c5ccco5 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 L11 compound treatment 1.082 0.0574 0.59 0.866 0.0632 0.68 0.898 0.998 3087632 TimTec1_006941 Nc1ccc(cc1)S(=O)(=O)CCC#N 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 L12 compound treatment 1.329 0.304 3.15 1.272 0.469 5.01 5.7739 0.975 1238387 TimTec1_006942 COc1ccc2oc(C)c(C(O)c3cc4ccccc4o3)c2c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 L13 compound treatment 0.988 -0.0366 -0.38 0.844 0.0412 0.44 0.0434 0.0747 1613108 TimTec1_006943 OC1=C(C(N(CC=C)C1=O)c2ccccc2Cl)C(=O)c3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 L14 compound treatment 0.936 -0.0886 -0.92 0.705 -0.0978 -1.04 -1.3875 -0.9979 1237166 TimTec1_006944 Cc1ccc(cc1)C(N)(CC=C)CC=C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 L15 compound treatment 1.054 0.0294 0.3 0.849 0.0462 0.49 0.5645 0.973 1169243 TimTec1_006945 CC1(C)CC(CCO1)NCc2ccco2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 L16 compound treatment 1.131 0.106 1.1 0.92 0.117 1.25 1.6648 0.998 3212188 TimTec1_006946 Cc1ccsc1/C=N/c2ccc(Nc3ccccc3)cc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 L17 compound treatment 1.102 0.0774 0.8 0.907 0.104 1.11 1.3542 0.987 1316960 TimTec1_006947 CC1(C)Cc2c(CO1)c(nc3sc(C#N)c(N)c23)N4CCOCC4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 L18 compound treatment 0.434 -0.591 -6.12 0.305 -0.498 -5.32 -8.0856 -0.9976 1615665 TimTec1_006948 CCCCn1c(=O)c(C(=O)Nc2nccs2)c(O)c3ccccc13 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 L19 compound treatment 0.952 -0.0726 -0.75 0.76 -0.0428 -0.46 -0.8548 -0.9715 1477509 TimTec1_006949 O=C(Oc1ccccc1)Oc2ccc3c(c2)oc(=O)c4ccccc43 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 L20 compound treatment 1.063 0.0384 0.4 0.9 0.0972 1.04 1.0157 0.9132 1785312 TimTec1_006950 CCc1c(C(=O)O)c2ccccc2[nH]c1=O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 L21 compound treatment 0.289 -0.736 -7.62 0.226 -0.577 -6.16 -9.7443 -0.9945 1349942 TimTec1_006951 Cc1cccc(NC(=O)c2ccc(Br)o2)c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 L22 compound treatment 1.197 0.172 1.79 1.005 0.202 2.16 2.7902 0.9955 1693483 TimTec1_006952 OC(=O)c1ccc(cc1)C2Nc3ccccc3C4C=CCC42 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 L23 mock treatment 1.067 0.0424 0.44 0.836 0.0332 0.35 0.5615 0.9944 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 L24 mock treatment 1.09 0.0654 0.68 0.788 -0.0148 -0.16 0.3673 0.5281 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 M01 compound treatment 1.041 0.0164 0.17 0.782 -0.0208 -0.22 -0.0368 -0.1318 3087638 TimTec1_006953 C[N+]1(CCC(=N1)N)c2cccc(c2)C(F)(F)F 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 M02 compound treatment 1.123 0.0984 1.02 0.955 0.152 1.63 1.8706 0.9747 1194545 TimTec1_006954 OC(=O)COc1cccc2nsnc12 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 M03 compound treatment 1.088 0.0634 0.66 0.905 0.102 1.09 1.2365 0.9704 1448407 TimTec1_006955 CCOC(=O)C1=C(NC(=O)c2ccccc2)c3ccccc3CC41CCCC4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 M04 compound treatment 1.281 0.256 2.66 1.212 0.409 4.37 4.9691 0.9715 1380989 TimTec1_006956 COC(=O)C1=C(C)NC2=C(C1c3cccc4ccccc34)C(=O)CC(C2)c5ccc(OC)cc5 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 M05 compound treatment 0.534 -0.491 -5.08 0.29 -0.513 -5.48 -7.4665 -0.9993 1304492 TimTec1_006957 Fc1ccc(cc1)C(=O)CCCN2Cc3ccccc3C2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 M06 compound treatment 1.499 0.474 4.91 1.548 0.745 7.96 9.1039 0.9731 1290371 TimTec1_006958 CCCn1c2nc(C)c(C(=O)c3cccs3)n2c4ccccc14 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 M07 compound treatment 1.063 0.0384 0.4 0.848 0.0452 0.48 0.6229 0.9953 1210412 TimTec1_006959 Cc1ccc(NC(=O)c2c3CCCCc3nc4ccccc24)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 M08 compound treatment 1.082 0.0574 0.59 0.942 0.139 1.49 1.4721 0.9191 1472306 TimTec1_006960 Cc1ccc2nc(NC(=O)c3ccccc3F)sc2c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 M09 compound treatment 1.03 0.00541 0.06 0.804 0.00122 0.01 0.0488 0.8489 3212189 TimTec1_006961 CCN(CC)c1ccc(C=C2C(=O)N(C)C(=O)N(C)C2=O)c(OCc3ccc(Cl)cc3Cl)c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 M10 compound treatment 1.141 0.116 1.21 0.939 0.136 1.46 1.8815 0.9956 1788812 TimTec1_006962 CC1=Nc2ccccc2NC(=O)C1Cc3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 M11 compound treatment 1.109 0.0844 0.87 0.928 0.125 1.34 1.5641 0.9787 1185528 TimTec1_006963 CCCOc1ccc(cc1OC)C(=O)N2CCOCC2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 M12 compound treatment 1.118 0.0934 0.97 0.902 0.0992 1.06 1.4336 0.999 1123483 TimTec1_006964 CC(C)N1CCN(CC1)C(=O)c2ccco2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 M13 compound treatment 1.158 0.133 1.38 1.052 0.249 2.66 2.8597 0.9533 3087674 TimTec1_006965 COc1ccc(CNc2ccccc2)cc1Br 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 M14 compound treatment 0.213 -0.812 -8.41 0.183 -0.62 -6.62 -10.6257 -0.993 3212190 TimTec1_006966 N1c2ccccc2[S+](c3ccccc3)c4ccccc14 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 M15 compound treatment 1.346 0.321 3.33 1.223 0.42 4.49 5.5283 0.9892 1703037 TimTec1_006967 CCOC(=O)c1ccc(NC(=O)C2C3CCCCC23)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 M16 compound treatment 1.163 0.138 1.43 0.984 0.181 1.94 2.3826 0.9891 1401277 TimTec1_006968 O=C(N1CCn2c1nc3ccccc23)c4ccccc4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 M17 compound treatment 0.966 -0.0586 -0.61 0.765 -0.0378 -0.4 -0.7145 -0.9804 3087677 TimTec1_006969 CCn1c(nc2ccccc12)c3ccc(OC)cc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 M18 compound treatment 1.101 0.0764 0.79 0.847 0.0442 0.47 0.8936 0.9696 3087679 TimTec1_006970 CC1=CC(C)(C)NC(=O)N1c2ccccc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 M19 compound treatment 0.18 -0.845 -8.75 0.143 -0.66 -7.05 -11.1695 -0.9943 1777670 TimTec1_006971 COc1ccc(/C=C/C2=CCN(Cc3ccccc3)CC2)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 M20 compound treatment 1.087 0.0624 0.65 0.907 0.104 1.11 1.2443 0.9665 3212191 TimTec1_006972 FC(F)(F)c1c2CCc3ccccc3-c2nc4cc(nn14)C(=O)NCc5ccco5 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 M21 compound treatment 1.04 0.0154 0.16 0.883 0.0802 0.86 0.7188 0.8246 1654108 TimTec1_006973 Sc1nnc([nH]1)C2COc3ccccc3O2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 M22 compound treatment 0.813 -0.212 -2.19 0.748 -0.0548 -0.59 -1.9634 -0.8656 3212192 TimTec1_006974 O/N=C\1/CCCc2nn(nc12)c3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 M23 mock treatment 1.042 0.0174 0.18 0.918 0.115 1.23 0.9979 0.8021 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 M24 mock treatment 1.074 0.0494 0.51 0.776 -0.0268 -0.29 0.1595 0.2721 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 N01 compound treatment 1.246 0.221 2.29 1.143 0.34 3.63 4.1916 0.9753 1462528 TimTec1_006975 CCOC(=O)c1c(NC(=O)c2cc3ccccc3o2)sc4COC(C)(C)Cc14 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 N02 compound treatment 1.03 0.00541 0.06 0.919 0.116 1.24 0.9175 0.7382 1444731 TimTec1_006976 COc1ccc2nc(nc(N3CCCCC3)c2c1)c4ccccc4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 N03 compound treatment 1.258 0.233 2.42 1.141 0.338 3.61 4.2643 0.9809 3212193 TimTec1_006977 NC(=O)CSc1ncnc2sc3CCCCc3c12 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 N04 compound treatment 1.179 0.154 1.6 1.17 0.367 3.92 3.9048 0.9217 3087684 TimTec1_006978 COC(=O)c1ccc(Nc2nc(c(C)s2)c3ccc(Br)cc3)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 N05 compound treatment 1.479 0.454 4.71 1.543 0.74 7.91 8.9196 0.9693 3212194 TimTec1_006979 CC(C)(C)c1ccc(cc1)c2nnnn2c3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 N06 compound treatment 1.081 0.0564 0.58 0.863 0.0602 0.64 0.868 0.9988 1782862 TimTec1_006980 O=C(CCNc1n[nH]c(=O)[nH]c1=O)N2CCOCC2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 N07 compound treatment 1.208 0.183 1.9 1.046 0.243 2.6 3.1805 0.9881 1650008 TimTec1_006981 Cc1cccc(Nc2cc(=O)[nH]c(=O)[nH]2)c1C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 N08 compound treatment 1.038 0.0134 0.14 0.873 0.0702 0.75 0.6286 0.824 1497501 TimTec1_006982 CC1CCN(CCC(=O)Nc2ccccc2F)CC1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 N09 compound treatment 1.347 0.322 3.34 1.258 0.455 4.86 5.8 0.9832 1669677 TimTec1_006983 CCOC(=O)c1c(NC(=S)NCC(=C)C)scc1c2ccsc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 N10 compound treatment 1.079 0.0544 0.56 0.857 0.0542 0.58 0.808 0.9999 3212195 TimTec1_006984 Oc1ccccc1C2C3=C(CCCC3=O)OC4=C2C(=O)CCC4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 N11 compound treatment 1.153 0.128 1.33 1.05 0.247 2.64 2.8079 0.9496 1273018 TimTec1_006985 CC1=CC(C)(C)c2ccccc2N1Cc3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 N12 compound treatment 1.069 0.0444 0.46 0.808 0.00522 0.06 0.3646 0.7871 3212196 TimTec1_006986 CCc1c(C)nc2ccc(C)cc2c1Cl 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 N13 compound treatment 0.945 -0.0796 -0.82 0.736 -0.0668 -0.71 -1.0874 -0.9974 1280587 TimTec1_006987 C(NC1CCCCC1)C2OCc3ccccc3CO2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 N14 compound treatment 1.032 0.00741 0.08 0.977 0.174 1.86 1.3703 0.7356 1270926 TimTec1_006988 OC(=O)CCC(=O)Nc1ccc(Oc2ccc(Cl)cc2)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 N15 compound treatment 0.869 -0.156 -1.61 0.691 -0.112 -1.19 -1.9839 -0.9891 1479468 TimTec1_006989 O=C(NC(c1ccccc1)c2ccccc2)c3ccc4OCCOc4c3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 N16 compound treatment 1.052 0.0274 0.28 0.824 0.0212 0.23 0.361 0.9938 1290955 TimTec1_006990 OCCN(CCO)C(=O)COc1ccc(Br)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 N17 compound treatment 1.156 0.131 1.36 1.023 0.22 2.35 2.6259 0.9661 3212197 TimTec1_006991 CC(C)(C)c1ccc(OCc2nnc(SCC(=O)N)n2c3ccccc3)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 N18 compound treatment 1.103 0.0784 0.81 0.949 0.146 1.56 1.6788 0.9535 1452106 TimTec1_006992 CCC(=O)NC(c1ccc(cc1)C(C)C)c2c(O)ccc3ccccc23 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 N19 compound treatment 1.067 0.0424 0.44 0.907 0.104 1.11 1.0979 0.9173 1151230 TimTec1_006993 CC1(CN(Cc2ccccc2)CC3(C)CN(Cc4ccccc4)C1)C3=NO 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 N20 compound treatment 0.047 -0.978 -10.12 0.05 -0.753 -8.04 -12.8461 -0.9935 3087690 TimTec1_006994 NC(=O)c/1cc2ccccc2o\c1=N/O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 N21 compound treatment 1.052 0.0274 0.28 0.887 0.0842 0.9 0.8369 0.8871 1301823 TimTec1_006995 OC(=O)CCS(=O)(=O)c1ccc(Br)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 N22 compound treatment 1.07 0.0454 0.47 0.848 0.0452 0.48 0.6741 0.9999 1570261 TimTec1_006996 CN(C)S(=O)(=O)Nc1ccc(cc1)C(=O)O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 N23 mock treatment 1.023 -0.00159 -0.02 0.832 0.0292 0.31 0.2091 0.6688 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 N24 mock treatment 1.03 0.00541 0.06 0.783 -0.0198 -0.21 -0.1098 -0.5024 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 O01 compound treatment 1.177 0.152 1.58 0.981 0.178 1.9 2.4625 0.9957 1350651 TimTec1_006997 COc1cccc(CC(Cc2nc3ccccc3[nH]2)c4nc5ccccc5[nH]4)c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 O02 compound treatment 1.174 0.149 1.55 1.086 0.283 3.03 3.2337 0.9515 1318205 TimTec1_006998 Cc1ccc(Cc2cnc(NC(=O)C(c3ccccc3)c4ccccc4)s2)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 O03 compound treatment 0.203 -0.822 -8.51 0.18 -0.623 -6.65 -10.7216 -0.9926 1553933 TimTec1_006999 Cc1cc(SCC(=O)N2CCCCC2)nc3ccccc13 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 O04 compound treatment 1.134 0.109 1.13 0.95 0.147 1.57 1.9134 0.9871 1159118 TimTec1_007000 Cc1cc(C(=O)O)c2cc(F)ccc2n1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 O05 compound treatment 1.143 0.118 1.23 0.983 0.18 1.93 2.2286 0.9763 1599562 TimTec1_007001 C(CN1CCNCC1)Cc2ccccc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 O06 compound treatment 1.087 0.0624 0.65 0.924 0.121 1.3 1.3727 0.9485 3087694 TimTec1_007002 CC1CC(n2nc(cc2N1)C(=O)O)C(F)(F)F 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 O07 compound treatment 1.116 0.0914 0.95 0.919 0.116 1.24 1.5474 0.991 1578115 TimTec1_007003 C(N1CCN(Cc2ccncc2)CC1)c3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 O08 compound treatment 0.792 -0.233 -2.41 0.469 -0.334 -3.57 -4.2249 -0.9818 1918993 TimTec1_007004 Oc1ccc(O)c(c1)[S+]2CCCCC2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 O09 compound treatment 0.181 -0.844 -8.74 0.166 -0.637 -6.8 -10.9885 -0.9923 3212273 TimTec1_007005 O=C1NC(=C(C#N)C2(CCCC2)C1C#N)SCc3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 O10 compound treatment 0.484 -0.541 -5.6 0.28 -0.523 -5.59 -7.9083 -1.0 1427630 TimTec1_007006 Clc1ccc(OCc2cn3ccccc3n2)c4ncccc14 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 O11 compound treatment 1.322 0.297 3.08 1.219 0.416 4.45 5.3223 0.9839 1738341 TimTec1_007007 O=C(NCc1ccccc1)C2C3CCCCC23 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 O12 compound treatment 1.077 0.0524 0.54 0.859 0.0562 0.6 0.8085 0.9987 1437987 TimTec1_007008 COc1ccc(cc1)C(=O)NC(CC(C)C)C(=O)O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 O13 compound treatment 0.568 -0.457 -4.73 0.06 -0.743 -7.94 -8.955 -0.9694 3212274 TimTec1_007009 COc1ccc(Nc2nc(cs2)c3cccs3)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 O14 compound treatment 1.009 -0.0156 -0.16 0.757 -0.0458 -0.49 -0.46 -0.8932 1279048 TimTec1_007010 Cc1ccc(NC(=O)CCN2CCCCC2)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 O15 compound treatment 1.088 0.0634 0.66 0.925 0.122 1.31 1.3876 0.9494 1265764 TimTec1_007011 COc1cc(OC)c(OC)cc1CN2CCN(CC2)C(=O)c3ccco3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 O16 compound treatment 1.444 0.419 4.34 1.413 0.61 6.52 7.6813 0.9805 3087714 TimTec1_007012 CNc1nc(cc(n1)c2ccccc2)c3ccccc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 O17 compound treatment 1.079 0.0544 0.56 0.843 0.0402 0.43 0.7023 0.991 1652569 TimTec1_007013 C=C1C(C1C(=O)Nc2ccc3OCCOc3c2)C(=O)Nc4ccc5OCCOc5c4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 O18 compound treatment 1.029 0.00441 0.05 0.916 0.113 1.21 0.8875 0.7333 3086771 TimTec1_007014 CCN(CC)CCn1cnc2ccccc12 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 O19 compound treatment 1.164 0.139 1.44 0.959 0.156 1.67 2.2011 0.9974 1705111 TimTec1_007015 COc1cccc(NC(=O)c2cc3ccccc3oc2=O)c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 O20 compound treatment 1.081 0.0564 0.58 0.831 0.0282 0.3 0.6263 0.9526 3212275 TimTec1_007016 OC(=O)c1ccccc1NS(=O)(=O)c2ccccc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 O21 compound treatment 1.052 0.0274 0.28 0.878 0.0752 0.8 0.7689 0.9022 1788989 TimTec1_007017 CCOC(=O)c1c(C)nc2ccccc2c1C(=O)O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 O22 compound treatment 0.052 -0.973 -10.07 0.065 -0.738 -7.88 -12.6962 -0.9926 1226950 TimTec1_007018 CC(C)c1ccc2oc(nc2c1)c3ccc(N)cc3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 O23 mock treatment 1.041 0.0164 0.17 0.827 0.0242 0.26 0.3031 0.9792 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 O24 mock treatment 1.073 0.0484 0.5 0.809 0.00622 0.07 0.4015 0.7939 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 P01 compound treatment 0.927 -0.0976 -1.01 0.799 -0.00378 -0.04 -0.7433 -0.7348 3086772 TimTec1_007019 Cc1ccc(NCCNc2ccc(C)cc2)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 P02 compound treatment 1.27 0.245 2.54 1.216 0.413 4.41 4.9188 0.9656 1505666 TimTec1_007020 Cc1sc(NC(=O)c2ccccc2F)c(C(=O)c3ccc(Cl)cc3)c1C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 P03 compound treatment 1.297 0.272 2.82 1.23 0.427 4.56 5.2223 0.9733 3212276 TimTec1_007021 CC(C)c1ccc(NC(=O)c2cc3NC(CC(n3n2)C(F)(F)F)c4ccco4)cc1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 P04 compound treatment 1.025 4.06E-4 0.0 0.841 0.0382 0.41 0.2917 0.7144 1372504 TimTec1_007022 Nc1ccccc1SCC(=O)N2CCc3ccccc23 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 P05 compound treatment 1.12 0.0954 0.99 0.933 0.13 1.39 1.6824 0.986 1334056 TimTec1_007023 CC(=O)Nc1cc2OCCOc2cc1N 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 P06 compound treatment 0.978 -0.0466 -0.48 0.718 -0.0848 -0.91 -0.9817 -0.9566 1286842 TimTec1_007024 CC(C(=O)Nc1cccc(C)c1)C(=O)c2ccccc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 P07 compound treatment 0.894 -0.131 -1.35 0.729 -0.0738 -0.79 -1.5138 -0.967 1511538 TimTec1_007025 Cc1cc(nc(n1)c2ccc(Br)cc2)N3CCCCC3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 P08 compound treatment 1.337 0.312 3.24 1.155 0.352 3.76 4.9487 0.9972 3212277 TimTec1_007026 CCCC/C(=N\O)/c1c(C)[nH]c2ccccc12 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 P09 compound treatment 1.296 0.271 2.81 1.276 0.473 5.06 5.5625 0.9616 1544658 TimTec1_007027 O=c1oc2ccccc2cc1c3csc(n3)c4ccccc4 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 P10 compound treatment 1.058 0.0334 0.35 0.778 -0.0248 -0.26 0.0574 0.1319 1397424 TimTec1_007028 Cc1ccc2cc(C)c(NCc3cccnc3)nc2c1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 P11 compound treatment 1.337 0.312 3.24 1.228 0.425 4.54 5.5001 0.9862 3212278 TimTec1_007029 Cc1nc(nc(O)c1CC=C)c2ccccc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 P12 compound treatment 1.109 0.0844 0.87 0.798 -0.00478 -0.05 0.582 0.6647 3086773 TimTec1_007030 CC1(C)CC(=O)C=C(C1)NN2CCOCC2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 P13 compound treatment 0.046 -0.979 -10.14 0.047 -0.756 -8.07 -12.8761 -0.9937 1421894 TimTec1_007031 Cc1ccc(O)c(c1)c2cc([nH]n2)c3ccc(cc3)C(C)(C)C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 P14 compound treatment 0.95 -0.0746 -0.77 0.803 2.19E-4 0.0 -0.5446 -0.705 1581406 TimTec1_007032 Cc1ccccc1OCC(=O)Nc2cccc(c2)N3C(=O)c4ccccc4C3=O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 P15 compound treatment 1.15 0.125 1.3 1.066 0.263 2.81 2.9068 0.9384 3086774 TimTec1_007033 O=S(=O)(Nc1ccc2ccccc2c1)c3cccs3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 P16 compound treatment 1.107 0.0824 0.85 0.802 -7.81E-4 -0.01 0.5976 0.7002 3212279 TimTec1_007034 OC(=O)CCCNC1=NC(=O)CC(=O)N1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 P17 compound treatment 1.115 0.0904 0.94 0.895 0.0922 0.99 1.3587 0.9997 1305963 TimTec1_007035 Cc1ccc(cc1S(=O)(=O)N)c2nnc(Nc3ccc(cc3)S(=O)(=O)N)c4ccccc24 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 P18 compound treatment 1.098 0.0734 0.76 0.921 0.118 1.26 1.4306 0.9705 3086775 TimTec1_007036 CCN(CC)C(=O)C1CC(=O)OC1(C)C 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 P19 compound treatment 1.118 0.0934 0.97 0.856 0.0532 0.57 1.0861 0.9679 1786463 TimTec1_007037 CC1(C)CC2(CCCN(CCCN3CCCC4(CCOC(C)(C)C4)C3)C2)CCO1 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 P20 compound treatment 0.97 -0.0546 -0.57 0.64 -0.163 -1.74 -1.6295 -0.8911 1468821 TimTec1_007038 O=C(OCC1CCCN2CCCCC12)c3ccc4OCOc4c3 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 P21 compound treatment 1.138 0.113 1.17 0.903 0.1 1.07 1.5876 0.9989 1531258 TimTec1_007039 CCNC(=S)Nc1c(C)n(C)n(c2ccccc2)c1=O 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 P22 compound treatment 1.151 0.126 1.31 0.909 0.106 1.13 1.7281 0.9975 1580338 TimTec1_007040 CC(=O)N(CC(=O)Nc1ccc(C)cc1)c2ccccc2 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 P23 mock treatment 1.066 0.0414 0.43 0.835 0.0322 0.34 0.5466 0.9941 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.2082 P24 mock treatment 1.036 0.0114 0.12 0.815 0.0122 0.13 0.1758 0.9988 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base A01 mock treatment 0.79 0.0144 0.15 0.856 0.0368 0.39 0.3834 0.9118 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base A02 mock treatment 0.82 0.0444 0.46 0.799 -0.0202 -0.22 0.1725 0.3396 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base A03 mock treatment 0.845 0.0694 0.72 0.856 0.0368 0.39 0.7861 0.9597 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base A04 mock treatment 0.851 0.0754 0.78 0.839 0.0198 0.21 0.7017 0.8674 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base A05 mock treatment 0.8 0.0244 0.25 0.851 0.0318 0.34 0.4188 0.9893 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base A06 mock treatment 0.808 0.0324 0.34 0.855 0.0358 0.38 0.5076 0.9979 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base A07 mock treatment 0.752 -0.0236 -0.24 0.854 0.0348 0.37 0.0899 0.2021 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base A08 mock treatment 0.827 0.0514 0.53 0.829 0.0098 0.1 0.4504 0.8303 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base A09 mock treatment 0.777 0.00138 0.01 0.798 -0.0212 -0.23 -0.15 -0.661 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base A10 mock treatment 0.809 0.0334 0.35 0.797 -0.0222 -0.24 0.0768 0.1832 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base A11 mock treatment 0.714 -0.0616 -0.64 0.814 -0.0052 -0.06 -0.4905 -0.7657 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base A12 mock treatment 0.773 -0.00262 -0.03 0.83 0.0108 0.12 0.0624 0.5268 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base A13 mock treatment 0.618 -0.158 -1.63 0.788 -0.0312 -0.33 -1.39 -0.8343 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base A14 mock treatment 0.8 0.0244 0.25 0.82 8.02E-4 0.01 0.1846 0.7307 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base A15 mock treatment 0.729 -0.0466 -0.48 0.823 0.0038 0.04 -0.3127 -0.6453 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base A16 mock treatment 0.791 0.0154 0.16 0.844 0.0248 0.26 0.3 0.9704 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base A17 mock treatment 0.784 0.00838 0.09 0.84 0.0208 0.22 0.2185 0.916 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base A18 mock treatment 0.744 -0.0316 -0.33 0.818 -0.0012 -0.01 -0.2406 -0.7342 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base A19 mock treatment 0.819 0.0434 0.45 0.803 -0.0162 -0.17 0.1954 0.4057 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base A20 mock treatment 0.81 0.0344 0.36 0.834 0.0148 0.16 0.3636 0.9332 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base A21 mock treatment 0.805 0.0294 0.3 0.781 -0.0382 -0.41 -0.0734 -0.1441 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base A22 mock treatment 0.819 0.0434 0.45 0.844 0.0248 0.26 0.5051 0.9683 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base A23 mock treatment 0.785 0.00938 0.1 0.811 -0.0082 -0.09 0.0068 0.0519 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base A24 mock treatment 0.749 -0.0266 -0.28 0.818 -0.0012 -0.01 -0.204 -0.7391 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base B01 mock treatment 0.836 0.0604 0.63 0.847 0.0278 0.3 0.6522 0.9421 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base B02 mock treatment 0.827 0.0514 0.53 0.876 0.0568 0.61 0.8054 0.9979 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base B03 mock treatment 0.862 0.0864 0.89 0.899 0.0798 0.85 1.2355 0.9997 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base B04 mock treatment 0.836 0.0604 0.63 0.85 0.0308 0.33 0.6749 0.955 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base B05 mock treatment 0.822 0.0464 0.48 0.862 0.0428 0.46 0.663 0.9997 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base B06 mock treatment 0.819 0.0434 0.45 0.823 0.0038 0.04 0.3464 0.7679 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base B07 mock treatment 0.845 0.0694 0.72 0.84 0.0208 0.22 0.6653 0.8845 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base B08 mock treatment 0.804 0.0284 0.29 0.823 0.0038 0.04 0.2366 0.7972 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base B09 mock treatment 0.832 0.0564 0.58 0.842 0.0228 0.24 0.5852 0.9248 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base B10 mock treatment 0.744 -0.0316 -0.33 0.771 -0.0482 -0.51 -0.5956 -0.9761 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base B11 mock treatment 0.797 0.0214 0.22 0.841 0.0218 0.23 0.3213 0.9997 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base B12 mock treatment 0.738 -0.0376 -0.39 0.813 -0.0062 -0.07 -0.3223 -0.8156 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base B13 mock treatment 0.782 0.00638 0.07 0.819 -1.98E-4 0.0 0.0453 0.6841 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base B14 mock treatment 0.696 -0.0796 -0.82 0.755 -0.0642 -0.69 -1.068 -0.9958 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base B15 mock treatment 0.814 0.0384 0.4 0.864 0.0448 0.48 0.6195 0.9957 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base B16 mock treatment 0.802 0.0264 0.27 0.862 0.0428 0.46 0.5166 0.9697 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base B17 mock treatment 0.767 -0.00862 -0.09 0.865 0.0458 0.49 0.2829 0.5688 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base B18 mock treatment 0.777 0.00138 0.01 0.814 -0.0052 -0.06 -0.0291 -0.508 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base B19 mock treatment 0.809 0.0334 0.35 0.828 0.0088 0.09 0.311 0.8679 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base B20 mock treatment 0.758 -0.0176 -0.18 0.842 0.0228 0.24 0.0432 0.1421 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base B21 mock treatment 0.796 0.0204 0.21 0.829 0.0098 0.1 0.2233 0.9477 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base B22 mock treatment 0.819 0.0434 0.45 0.828 0.0088 0.09 0.3842 0.837 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base B23 mock treatment 0.818 0.0424 0.44 0.821 0.0018 0.02 0.324 0.7374 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base B24 mock treatment 0.719 -0.0566 -0.59 0.825 0.0058 0.06 -0.3708 -0.6289 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base C01 mock treatment 0.81 0.0344 0.36 0.846 0.0268 0.29 0.4543 0.9942 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base C02 mock treatment 0.821 0.0454 0.47 0.882 0.0628 0.67 0.8068 0.9849 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base C03 mock treatment 0.828 0.0524 0.54 0.837 0.0178 0.19 0.5181 0.9012 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base C04 mock treatment 0.833 0.0574 0.59 0.871 0.0518 0.55 0.8116 0.9994 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base C05 mock treatment 0.813 0.0374 0.39 0.86 0.0408 0.44 0.582 0.9983 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base C06 mock treatment 0.841 0.0654 0.68 0.819 -1.98E-4 0.0 0.4773 0.7049 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base C07 mock treatment 0.785 0.00938 0.1 0.875 0.0558 0.6 0.4903 0.8117 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base C08 mock treatment 0.818 0.0424 0.44 0.824 0.0048 0.05 0.3467 0.7844 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base C09 mock treatment 0.811 0.0354 0.37 0.797 -0.0222 -0.24 0.0914 0.2095 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base C10 mock treatment 0.774 -0.00162 -0.02 0.869 0.0498 0.53 0.3644 0.6845 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base C11 mock treatment 0.745 -0.0306 -0.32 0.79 -0.0292 -0.31 -0.4448 -1.0 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base C12 mock treatment 0.799 0.0234 0.24 0.802 -0.0172 -0.18 0.0413 0.136 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base C13 mock treatment 0.794 0.0184 0.19 0.8 -0.0192 -0.21 -0.0104 -0.0371 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base C14 mock treatment 0.703 -0.0726 -0.75 0.742 -0.0772 -0.82 -1.115 -0.9989 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base C15 mock treatment 0.745 -0.0306 -0.32 0.792 -0.0272 -0.29 -0.4297 -0.999 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base C16 mock treatment 0.766 -0.00962 -0.1 0.827 0.0078 0.08 -0.0115 -0.0884 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base C17 mock treatment 0.726 -0.0496 -0.51 0.81 -0.0092 -0.1 -0.4328 -0.8273 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base C18 mock treatment 0.792 0.0164 0.17 0.832 0.0128 0.14 0.2167 0.9943 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base C19 mock treatment 0.779 0.00338 0.04 0.784 -0.0352 -0.38 -0.2411 -0.6384 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base C20 mock treatment 0.797 0.0214 0.22 0.839 0.0198 0.21 0.3062 0.9997 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base C21 mock treatment 0.679 -0.0966 -1.0 0.73 -0.0892 -0.95 -1.3814 -0.9997 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base C22 mock treatment 0.793 0.0174 0.18 0.837 0.0178 0.19 0.2618 0.9996 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base C23 mock treatment 0.772 -0.00362 -0.04 0.757 -0.0622 -0.66 -0.4963 -0.7458 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base C24 mock treatment 0.776 3.84E-4 0.0 0.803 -0.0162 -0.17 -0.1196 -0.6907 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base D01 mock treatment 0.858 0.0824 0.85 0.892 0.0728 0.78 1.1533 0.9989 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base D02 mock treatment 0.841 0.0654 0.68 0.863 0.0438 0.47 0.8097 0.9837 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base D03 mock treatment 0.823 0.0474 0.49 0.902 0.0828 0.88 0.9725 0.9614 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base D04 mock treatment 0.807 0.0314 0.33 0.849 0.0298 0.32 0.455 0.9999 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base D05 mock treatment 0.874 0.0984 1.02 0.886 0.0668 0.71 1.2252 0.9848 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base D06 mock treatment 0.822 0.0464 0.48 0.801 -0.0182 -0.19 0.2022 0.3902 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base D07 mock treatment 0.768 -0.00762 -0.08 0.859 0.0398 0.43 0.2449 0.5663 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base D08 mock treatment 0.751 -0.0246 -0.25 0.828 0.0088 0.09 -0.1138 -0.4187 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base D09 mock treatment 0.799 0.0234 0.24 0.818 -0.0012 -0.01 0.1622 0.6688 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base D10 mock treatment 0.8 0.0244 0.25 0.815 -0.0042 -0.04 0.1469 0.5726 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base D11 mock treatment 0.789 0.0134 0.14 0.867 0.0478 0.51 0.4591 0.8676 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base D12 mock treatment 0.773 -0.00262 -0.03 0.802 -0.0172 -0.18 -0.1491 -0.8027 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base D13 mock treatment 0.799 0.0234 0.24 0.865 0.0458 0.49 0.5173 0.9474 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base D14 mock treatment 0.791 0.0154 0.16 0.825 0.0058 0.06 0.1565 0.9154 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base D15 mock treatment 0.794 0.0184 0.19 0.858 0.0388 0.41 0.4278 0.9377 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base D16 mock treatment 0.786 0.0104 0.11 0.812 -0.0072 -0.08 0.0217 0.1639 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base D17 mock treatment 0.842 0.0664 0.69 0.846 0.0268 0.29 0.6886 0.9246 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base D18 mock treatment 0.797 0.0214 0.22 0.806 -0.0132 -0.14 0.0569 0.2167 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base D19 mock treatment 0.783 0.00738 0.08 0.868 0.0488 0.52 0.4227 0.8022 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base D20 mock treatment 0.781 0.00538 0.06 0.865 0.0458 0.49 0.3854 0.7826 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base D21 mock treatment 0.731 -0.0446 -0.46 0.815 -0.0042 -0.04 -0.3585 -0.7721 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base D22 mock treatment 0.731 -0.0446 -0.46 0.809 -0.0102 -0.11 -0.4038 -0.8505 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base D23 mock treatment 0.768 -0.00762 -0.08 0.841 0.0218 0.23 0.1089 0.4429 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base D24 mock treatment 0.685 -0.0906 -0.94 0.751 -0.0682 -0.73 -1.1788 -0.9922 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base E01 mock treatment 0.792 0.0164 0.17 0.824 0.0048 0.05 0.1563 0.8815 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base E02 mock treatment 0.851 0.0754 0.78 0.896 0.0768 0.82 1.1323 0.9997 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base E03 mock treatment 0.842 0.0664 0.69 0.864 0.0448 0.48 0.8246 0.9843 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base E04 mock treatment 0.846 0.0704 0.73 0.805 -0.0142 -0.15 0.4082 0.5482 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base E05 mock treatment 0.863 0.0874 0.91 0.835 0.0158 0.17 0.7593 0.8248 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base E06 mock treatment 0.849 0.0734 0.76 0.81 -0.0092 -0.1 0.4679 0.6106 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base E07 mock treatment 0.764 -0.0116 -0.12 0.833 0.0138 0.15 0.0192 0.1008 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base E08 mock treatment 0.805 0.0294 0.3 0.861 0.0418 0.45 0.531 0.9825 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base E09 mock treatment 0.825 0.0494 0.51 0.825 0.0058 0.06 0.4055 0.787 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base E10 mock treatment 0.804 0.0284 0.29 0.844 0.0248 0.26 0.3952 0.9987 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base E11 mock treatment 0.773 -0.00262 -0.03 0.857 0.0378 0.4 0.2664 0.6582 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base E12 mock treatment 0.796 0.0204 0.21 0.823 0.0038 0.04 0.178 0.828 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base E13 mock treatment 0.768 -0.00762 -0.08 0.833 0.0138 0.15 0.0485 0.2899 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base E14 mock treatment 0.797 0.0214 0.22 0.864 0.0448 0.48 0.495 0.9387 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base E15 mock treatment 0.784 0.00838 0.09 0.841 0.0218 0.23 0.2261 0.9096 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base E16 mock treatment 0.809 0.0334 0.35 0.829 0.0098 0.1 0.3185 0.8817 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base E17 mock treatment 0.767 -0.00862 -0.09 0.807 -0.0122 -0.13 -0.1552 -0.9829 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base E18 mock treatment 0.827 0.0514 0.53 0.853 0.0338 0.36 0.6317 0.9822 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base E19 mock treatment 0.788 0.0124 0.13 0.79 -0.0292 -0.31 -0.1299 -0.3851 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base E20 mock treatment 0.843 0.0674 0.7 0.791 -0.0282 -0.3 0.2805 0.369 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base E21 mock treatment 0.735 -0.0406 -0.42 0.811 -0.0082 -0.09 -0.3594 -0.8364 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base E22 mock treatment 0.81 0.0344 0.36 0.829 0.0098 0.1 0.3259 0.8779 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base E23 mock treatment 0.782 0.00638 0.07 0.826 0.0068 0.07 0.0981 0.9989 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base E24 mock treatment 0.744 -0.0316 -0.33 0.787 -0.0322 -0.34 -0.4748 -0.9997 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base F01 mock treatment 0.804 0.0284 0.29 0.824 0.0048 0.05 0.2441 0.8181 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base F02 mock treatment 0.842 0.0664 0.69 0.884 0.0648 0.69 0.9757 1.0 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base F03 mock treatment 0.818 0.0424 0.44 0.909 0.0898 0.96 0.9888 0.9372 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base F04 mock treatment 0.815 0.0394 0.41 0.857 0.0378 0.4 0.574 1.0 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base F05 mock treatment 0.833 0.0574 0.59 0.868 0.0488 0.52 0.7889 0.9979 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base F06 mock treatment 0.786 0.0104 0.11 0.833 0.0138 0.15 0.1803 0.988 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base F07 mock treatment 0.819 0.0434 0.45 0.838 0.0188 0.2 0.4598 0.9341 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base F08 mock treatment 0.773 -0.00262 -0.03 0.807 -0.0122 -0.13 -0.1113 -0.8362 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base F09 mock treatment 0.828 0.0524 0.54 0.834 0.0148 0.16 0.4955 0.8767 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base F10 mock treatment 0.784 0.00838 0.09 0.839 0.0198 0.21 0.211 0.9226 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base F11 mock treatment 0.786 0.0104 0.11 0.841 0.0218 0.23 0.2407 0.9384 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base F12 mock treatment 0.804 0.0284 0.29 0.828 0.0088 0.09 0.2744 0.8889 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base F13 mock treatment 0.814 0.0384 0.4 0.855 0.0358 0.38 0.5516 0.9998 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base F14 mock treatment 0.773 -0.00262 -0.03 0.761 -0.0582 -0.62 -0.4588 -0.7372 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base F15 mock treatment 0.821 0.0454 0.47 0.867 0.0478 0.51 0.6935 0.9991 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base F16 mock treatment 0.731 -0.0446 -0.46 0.809 -0.0102 -0.11 -0.4038 -0.8505 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base F17 mock treatment 0.781 0.00538 0.06 0.818 -0.0012 -0.01 0.0304 0.531 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base F18 mock treatment 0.818 0.0424 0.44 0.787 -0.0322 -0.34 0.0672 0.1204 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base F19 mock treatment 0.791 0.0154 0.16 0.854 0.0348 0.37 0.3756 0.9285 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base F20 mock treatment 0.785 0.00938 0.1 0.779 -0.0402 -0.43 -0.2349 -0.5336 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base F21 mock treatment 0.756 -0.0196 -0.2 0.829 0.0098 0.1 -0.0696 -0.3046 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base F22 mock treatment 0.818 0.0424 0.44 0.801 -0.0182 -0.19 0.1729 0.3602 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base F23 mock treatment 0.794 0.0184 0.19 0.825 0.0058 0.06 0.1785 0.8913 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base F24 mock treatment 0.756 -0.0196 -0.2 0.781 -0.0382 -0.41 -0.4322 -0.9481 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base G01 mock treatment 0.806 0.0304 0.31 0.814 -0.0052 -0.06 0.1833 0.5735 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base G02 mock treatment 0.813 0.0374 0.39 0.85 0.0308 0.33 0.5065 0.9967 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base G03 mock treatment 0.847 0.0714 0.74 0.852 0.0328 0.35 0.7706 0.9418 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base G04 mock treatment 0.783 0.00738 0.08 0.886 0.0668 0.71 0.5587 0.7784 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base G05 mock treatment 0.788 0.0124 0.13 0.85 0.0308 0.33 0.3234 0.9156 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base G06 mock treatment 0.771 -0.00462 -0.05 0.865 0.0458 0.49 0.3122 0.635 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base G07 mock treatment 0.731 -0.0446 -0.46 0.83 0.0108 0.12 -0.2451 -0.5147 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base G08 mock treatment 0.799 0.0234 0.24 0.81 -0.0092 -0.1 0.1018 0.3894 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base G09 mock treatment 0.76 -0.0156 -0.16 0.817 -0.0022 -0.02 -0.131 -0.8014 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base G10 mock treatment 0.787 0.0114 0.12 0.818 -0.0012 -0.01 0.0743 0.6267 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base G11 mock treatment 0.788 0.0124 0.13 0.841 0.0218 0.23 0.2554 0.9605 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base G12 mock treatment 0.794 0.0184 0.19 0.81 -0.0092 -0.1 0.0652 0.3041 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base G13 mock treatment 0.762 -0.0136 -0.14 0.829 0.0098 0.1 -0.0257 -0.1462 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base G14 mock treatment 0.77 -0.00562 -0.06 0.821 0.0018 0.02 -0.0275 -0.4491 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base G15 mock treatment 0.701 -0.0746 -0.77 0.794 -0.0252 -0.27 -0.7368 -0.9004 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base G16 mock treatment 0.754 -0.0216 -0.22 0.832 0.0128 0.14 -0.0616 -0.2348 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base G17 mock treatment 0.767 -0.00862 -0.09 0.786 -0.0332 -0.35 -0.3139 -0.8583 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base G18 mock treatment 0.693 -0.0826 -0.86 0.741 -0.0782 -0.84 -1.1958 -0.9999 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base G19 mock treatment 0.743 -0.0326 -0.34 0.821 0.0018 0.02 -0.2253 -0.6657 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base G20 mock treatment 0.795 0.0194 0.2 0.828 0.0088 0.09 0.2085 0.9403 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base G21 mock treatment 0.785 0.00938 0.1 0.803 -0.0162 -0.17 -0.0536 -0.2703 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base G22 mock treatment 0.783 0.00738 0.08 0.812 -0.0072 -0.08 -3.0E-4 -0.0028 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base G23 mock treatment 0.745 -0.0306 -0.32 0.779 -0.0402 -0.43 -0.5279 -0.9889 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base G24 mock treatment 0.744 -0.0316 -0.33 0.795 -0.0242 -0.26 -0.4143 -0.9932 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base H01 mock treatment 0.85 0.0744 0.77 0.843 0.0238 0.25 0.7246 0.8931 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base H02 mock treatment 0.822 0.0464 0.48 0.839 0.0198 0.21 0.4893 0.9321 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base H03 mock treatment 0.814 0.0384 0.4 0.884 0.0648 0.69 0.7706 0.9653 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base H04 mock treatment 0.79 0.0144 0.15 0.838 0.0188 0.2 0.2474 0.9892 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base H05 mock treatment 0.835 0.0594 0.62 0.878 0.0588 0.63 0.8791 0.9999 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base H06 mock treatment 0.78 0.00438 0.05 0.835 0.0158 0.17 0.1515 0.8665 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base H07 mock treatment 0.802 0.0264 0.27 0.847 0.0278 0.3 0.4032 0.9991 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base H08 mock treatment 0.749 -0.0266 -0.28 0.802 -0.0172 -0.18 -0.3248 -0.9806 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base H09 mock treatment 0.804 0.0284 0.29 0.81 -0.0092 -0.1 0.1384 0.4465 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base H10 mock treatment 0.784 0.00838 0.09 0.867 0.0478 0.51 0.4225 0.8156 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base H11 mock treatment 0.778 0.00238 0.02 0.861 0.0418 0.45 0.3332 0.7451 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base H12 mock treatment 0.757 -0.0186 -0.19 0.792 -0.0272 -0.29 -0.3418 -0.9802 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base H13 mock treatment 0.795 0.0194 0.2 0.844 0.0248 0.26 0.3293 0.9906 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base H14 mock treatment 0.771 -0.00462 -0.05 0.829 0.0098 0.1 0.0402 0.3496 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base H15 mock treatment 0.764 -0.0116 -0.12 0.851 0.0318 0.34 0.1552 0.4305 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base H16 mock treatment 0.763 -0.0126 -0.13 0.815 -0.0042 -0.04 -0.1241 -0.8984 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base H17 mock treatment 0.769 -0.00662 -0.07 0.809 -0.0102 -0.11 -0.1255 -0.975 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base H18 mock treatment 0.722 -0.0536 -0.56 0.762 -0.0572 -0.61 -0.8247 -0.9989 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base H19 mock treatment 0.801 0.0254 0.26 0.84 0.0208 0.22 0.343 0.9965 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base H20 mock treatment 0.759 -0.0166 -0.17 0.81 -0.0092 -0.1 -0.1912 -0.9647 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base H21 mock treatment 0.824 0.0484 0.5 0.829 0.0098 0.1 0.4284 0.8368 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base H22 mock treatment 0.767 -0.00862 -0.09 0.79 -0.0292 -0.31 -0.2837 -0.8743 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base H23 mock treatment 0.788 0.0124 0.13 0.796 -0.0232 -0.25 -0.0845 -0.303 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base H24 mock treatment 0.715 -0.0606 -0.63 0.725 -0.0942 -1.01 -1.1555 -0.9742 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base I01 mock treatment 0.846 0.0704 0.73 0.839 0.0198 0.21 0.665 0.8762 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base I02 mock treatment 0.817 0.0414 0.43 0.88 0.0608 0.65 0.7624 0.9796 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base I03 mock treatment 0.828 0.0524 0.54 0.845 0.0258 0.28 0.5785 0.9507 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base I04 mock treatment 0.855 0.0794 0.82 0.838 0.0188 0.2 0.7234 0.8547 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base I05 mock treatment 0.836 0.0604 0.63 0.856 0.0368 0.39 0.7202 0.975 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base I06 mock treatment 0.8 0.0244 0.25 0.889 0.0698 0.75 0.7059 0.8966 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base I07 mock treatment 0.768 -0.00762 -0.08 0.869 0.0498 0.53 0.3204 0.5958 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base I08 mock treatment 0.851 0.0754 0.78 0.86 0.0408 0.44 0.8603 0.9621 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base I09 mock treatment 0.719 -0.0566 -0.59 0.813 -0.0062 -0.07 -0.4615 -0.782 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base I10 mock treatment 0.814 0.0384 0.4 0.842 0.0228 0.24 0.4534 0.9724 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base I11 mock treatment 0.784 0.00838 0.09 0.773 -0.0462 -0.49 -0.2876 -0.5739 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base I12 mock treatment 0.813 0.0374 0.39 0.864 0.0448 0.48 0.6122 0.9945 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base I13 mock treatment 0.734 -0.0416 -0.43 0.849 0.0298 0.32 -0.0796 -0.1486 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base I14 mock treatment 0.78 0.00438 0.05 0.834 0.0148 0.16 0.1439 0.8748 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base I15 mock treatment 0.775 -6.16E-4 -0.01 0.847 0.0278 0.3 0.2055 0.6918 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base I16 mock treatment 0.833 0.0574 0.59 0.824 0.0048 0.05 0.4565 0.7653 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base I17 mock treatment 0.798 0.0224 0.23 0.838 0.0188 0.2 0.306 0.9974 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base I18 mock treatment 0.787 0.0114 0.12 0.855 0.0358 0.38 0.3538 0.884 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base I19 mock treatment 0.745 -0.0306 -0.32 0.8 -0.0192 -0.21 -0.3692 -0.9778 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base I20 mock treatment 0.787 0.0114 0.12 0.83 0.0108 0.12 0.165 0.9999 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base I21 mock treatment 0.753 -0.0226 -0.23 0.753 -0.0662 -0.71 -0.6657 -0.8936 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base I22 mock treatment 0.776 3.84E-4 0.0 0.803 -0.0162 -0.17 -0.1196 -0.6907 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base I23 mock treatment 0.707 -0.0686 -0.71 0.776 -0.0432 -0.46 -0.8288 -0.9781 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base I24 mock treatment 0.743 -0.0326 -0.34 0.796 -0.0232 -0.25 -0.4141 -0.9884 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base J01 mock treatment 0.861 0.0854 0.88 0.882 0.0628 0.67 1.0997 0.9907 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base J02 mock treatment 0.81 0.0344 0.36 0.869 0.0498 0.53 0.628 0.9809 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base J03 mock treatment 0.868 0.0924 0.96 0.871 0.0518 0.55 1.0679 0.9661 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base J04 mock treatment 0.826 0.0504 0.52 0.907 0.0878 0.94 1.0323 0.9617 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base J05 mock treatment 0.771 -0.00462 -0.05 0.987 0.168 1.79 1.2338 0.688 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base J06 mock treatment 0.785 0.00938 0.1 0.86 0.0408 0.44 0.377 0.844 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base J07 mock treatment 0.829 0.0534 0.55 0.897 0.0778 0.83 0.9787 0.9804 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base J08 mock treatment 0.765 -0.0106 -0.11 0.839 0.0198 0.21 0.0718 0.3013 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base J09 mock treatment 0.811 0.0354 0.37 0.873 0.0538 0.57 0.6656 0.9764 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base J10 mock treatment 0.737 -0.0386 -0.4 0.835 0.0158 0.17 -0.1634 -0.3765 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base J11 mock treatment 0.78 0.00438 0.05 0.862 0.0428 0.46 0.3554 0.7735 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base J12 mock treatment 0.825 0.0494 0.51 0.863 0.0438 0.47 0.6926 0.999 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base J13 mock treatment 0.787 0.0114 0.12 0.87 0.0508 0.54 0.4671 0.8411 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base J14 mock treatment 0.757 -0.0186 -0.19 0.821 0.0018 0.02 -0.1227 -0.6334 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base J15 mock treatment 0.804 0.0284 0.29 0.827 0.0078 0.08 0.2668 0.8732 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base J16 mock treatment 0.806 0.0304 0.31 0.837 0.0178 0.19 0.357 0.9709 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base J17 mock treatment 0.748 -0.0276 -0.29 0.819 -1.98E-4 0.0 -0.2037 -0.7123 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base J18 mock treatment 0.773 -0.00262 -0.03 0.828 0.0088 0.09 0.0473 0.4837 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base J19 mock treatment 0.734 -0.0416 -0.43 0.787 -0.0322 -0.34 -0.548 -0.9938 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base J20 mock treatment 0.771 -0.00462 -0.05 0.761 -0.0582 -0.62 -0.4734 -0.7592 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base J21 mock treatment 0.762 -0.0136 -0.14 0.831 0.0118 0.13 -0.0106 -0.0558 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base J22 mock treatment 0.793 0.0174 0.18 0.82 8.02E-4 0.01 0.1334 0.7399 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base J23 mock treatment 0.785 0.00938 0.1 0.83 0.0108 0.12 0.1503 0.9964 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base J24 mock treatment 0.716 -0.0596 -0.62 0.772 -0.0472 -0.5 -0.7931 -0.9949 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base K01 mock treatment 0.782 0.00638 0.07 0.823 0.0038 0.04 0.0755 0.9726 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base K02 mock treatment 0.745 -0.0306 -0.32 0.834 0.0148 0.16 -0.1124 -0.3172 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base K03 mock treatment 0.758 -0.0176 -0.18 0.825 0.0058 0.06 -0.0852 -0.4421 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base K04 mock treatment 0.826 0.0504 0.52 0.907 0.0878 0.94 1.0323 0.9617 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base K05 mock treatment 0.8 0.0244 0.25 0.808 -0.0112 -0.12 0.094 0.3363 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base K06 mock treatment 0.757 -0.0186 -0.19 0.87 0.0508 0.54 0.2474 0.4296 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base K07 mock treatment 0.785 0.00938 0.1 0.837 0.0178 0.19 0.2032 0.9514 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base K08 mock treatment 0.76 -0.0156 -0.16 0.826 0.0068 0.07 -0.063 -0.3552 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base K09 mock treatment 0.71 -0.0656 -0.68 0.822 0.0028 0.03 -0.4594 -0.6753 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base K10 mock treatment 0.778 0.00238 0.02 0.845 0.0258 0.28 0.2124 0.7674 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base K11 mock treatment 0.772 -0.00362 -0.04 0.823 0.0038 0.04 0.0022 0.0405 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base K12 mock treatment 0.789 0.0134 0.14 0.84 0.0208 0.22 0.2552 0.9742 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base K13 mock treatment 0.784 0.00838 0.09 0.823 0.0038 0.04 0.0901 0.9401 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base K14 mock treatment 0.751 -0.0246 -0.25 0.855 0.0358 0.38 0.0902 0.1962 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base K15 mock treatment 0.738 -0.0376 -0.39 0.795 -0.0242 -0.26 -0.4583 -0.9802 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base K16 mock treatment 0.769 -0.00662 -0.07 0.824 0.0048 0.05 -0.0122 -0.1423 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base K17 mock treatment 0.736 -0.0396 -0.41 0.797 -0.0222 -0.24 -0.4578 -0.966 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base K18 mock treatment 0.777 0.00138 0.01 0.819 -1.98E-4 0.0 0.0086 0.5963 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base K19 mock treatment 0.802 0.0264 0.27 0.85 0.0308 0.33 0.4259 0.9957 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base K20 mock treatment 0.784 0.00838 0.09 0.824 0.0048 0.05 0.0977 0.9685 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base K21 mock treatment 0.748 -0.0276 -0.29 0.806 -0.0132 -0.14 -0.3019 -0.9469 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base K22 mock treatment 0.772 -0.00362 -0.04 0.765 -0.0542 -0.58 -0.4359 -0.7513 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base K23 mock treatment 0.753 -0.0226 -0.23 0.765 -0.0542 -0.58 -0.5751 -0.9207 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base K24 mock treatment 0.758 -0.0176 -0.18 0.708 -0.111 -1.19 -0.969 -0.8063 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base L01 mock treatment 0.822 0.0464 0.48 0.818 -0.0012 -0.01 0.3306 0.688 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base L02 mock treatment 0.765 -0.0106 -0.11 0.85 0.0308 0.33 0.1549 0.4466 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base L03 mock treatment 0.816 0.0404 0.42 0.845 0.0258 0.28 0.4907 0.9795 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base L04 mock treatment 0.754 -0.0216 -0.22 0.814 -0.0052 -0.06 -0.1976 -0.8565 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base L05 mock treatment 0.782 0.00638 0.07 0.863 0.0438 0.47 0.3776 0.7991 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base L06 mock treatment 0.791 0.0154 0.16 0.834 0.0148 0.16 0.2245 1.0 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base L07 mock treatment 0.816 0.0404 0.42 0.82 8.02E-4 0.01 0.3018 0.7214 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base L08 mock treatment 0.726 -0.0496 -0.51 0.816 -0.0032 -0.03 -0.3875 -0.7525 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base L09 mock treatment 0.792 0.0164 0.17 0.854 0.0348 0.37 0.3829 0.9369 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base L10 mock treatment 0.769 -0.00662 -0.07 0.83 0.0108 0.12 0.0331 0.247 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base L11 mock treatment 0.776 3.84E-4 0.0 0.843 0.0238 0.25 0.1826 0.7181 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base L12 mock treatment 0.754 -0.0216 -0.22 0.827 0.0078 0.08 -0.0994 -0.416 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base L13 mock treatment 0.779 0.00338 0.04 0.856 0.0368 0.39 0.3028 0.7671 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base L14 mock treatment 0.757 -0.0186 -0.19 0.835 0.0158 0.17 -0.017 -0.0662 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base L15 mock treatment 0.784 0.00838 0.09 0.837 0.0178 0.19 0.1959 0.9369 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base L16 mock treatment 0.746 -0.0296 -0.31 0.807 -0.0122 -0.13 -0.309 -0.9273 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base L17 mock treatment 0.781 0.00538 0.06 0.822 0.0028 0.03 0.0606 0.9575 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base L18 mock treatment 0.758 -0.0176 -0.18 0.843 0.0238 0.25 0.0508 0.1623 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base L19 mock treatment 0.797 0.0214 0.22 0.813 -0.0062 -0.07 0.1098 0.4749 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base L20 mock treatment 0.773 -0.00262 -0.03 0.811 -0.0082 -0.09 -0.0811 -0.8845 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base L21 mock treatment 0.814 0.0384 0.4 0.802 -0.0172 -0.18 0.1512 0.3452 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base L22 mock treatment 0.717 -0.0586 -0.61 0.824 0.0048 0.05 -0.393 -0.6451 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base L23 mock treatment 0.778 0.00238 0.02 0.827 0.0078 0.08 0.0764 0.8788 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base L24 mock treatment 0.744 -0.0316 -0.33 0.769 -0.0502 -0.54 -0.6107 -0.972 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base M01 mock treatment 0.787 0.0114 0.12 0.81 -0.0092 -0.1 0.0139 0.0905 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base M02 mock treatment 0.854 0.0784 0.81 0.813 -0.0062 -0.07 0.5272 0.6473 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base M03 mock treatment 0.823 0.0474 0.49 0.86 0.0408 0.44 0.6552 0.9983 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base M04 mock treatment 0.777 0.00138 0.01 0.813 -0.0062 -0.07 -0.0367 -0.5415 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base M05 mock treatment 0.791 0.0154 0.16 0.795 -0.0242 -0.26 -0.0701 -0.2309 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base M06 mock treatment 0.829 0.0534 0.55 0.891 0.0718 0.77 0.9334 0.9871 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base M07 mock treatment 0.785 0.00938 0.1 0.832 0.0128 0.14 0.1654 0.986 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base M08 mock treatment 0.862 0.0864 0.89 0.898 0.0788 0.84 1.2279 0.9995 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base M09 mock treatment 0.78 0.00438 0.05 0.811 -0.0082 -0.09 -0.0298 -0.3023 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base M10 mock treatment 0.8 0.0244 0.25 0.834 0.0148 0.16 0.2904 0.9746 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base M11 mock treatment 0.652 -0.124 -1.28 0.77 -0.0492 -0.53 -1.277 -0.9227 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base M12 mock treatment 0.81 0.0344 0.36 0.824 0.0048 0.05 0.2881 0.8007 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base M13 mock treatment 0.755 -0.0206 -0.21 0.766 -0.0532 -0.57 -0.5529 -0.9106 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base M14 mock treatment 0.779 0.00338 0.04 0.844 0.0248 0.26 0.2121 0.7937 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base M15 mock treatment 0.725 -0.0506 -0.52 0.806 -0.0132 -0.14 -0.4704 -0.8665 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base M16 mock treatment 0.763 -0.0126 -0.13 0.805 -0.0142 -0.15 -0.1996 -0.9972 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base M17 mock treatment 0.722 -0.0536 -0.56 0.803 -0.0162 -0.17 -0.515 -0.8855 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base M18 mock treatment 0.808 0.0324 0.34 0.841 0.0218 0.23 0.4019 0.9841 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base M19 mock treatment 0.737 -0.0386 -0.4 0.809 -0.0102 -0.11 -0.3598 -0.8681 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base M20 mock treatment 0.768 -0.00762 -0.08 0.823 0.0038 0.04 -0.0271 -0.3049 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base M21 mock treatment 0.75 -0.0256 -0.27 0.781 -0.0382 -0.41 -0.4762 -0.9783 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base M22 mock treatment 0.789 0.0134 0.14 0.781 -0.0382 -0.41 -0.1905 -0.4421 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base M23 mock treatment 0.696 -0.0796 -0.82 0.746 -0.0732 -0.78 -1.136 -0.9996 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base M24 mock treatment 0.68 -0.0956 -0.99 0.725 -0.0942 -1.01 -1.4118 -1.0 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base N01 mock treatment 0.806 0.0304 0.31 0.847 0.0278 0.3 0.4325 0.9996 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base N02 mock treatment 0.803 0.0274 0.28 0.84 0.0208 0.22 0.3577 0.9927 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base N03 mock treatment 0.786 0.0104 0.11 0.869 0.0498 0.53 0.4523 0.8332 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base N04 mock treatment 0.799 0.0234 0.24 0.838 0.0188 0.2 0.3133 0.9957 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base N05 mock treatment 0.824 0.0484 0.5 0.841 0.0218 0.23 0.519 0.9393 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base N06 mock treatment 0.82 0.0444 0.46 0.802 -0.0172 -0.18 0.1951 0.3942 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base N07 mock treatment 0.788 0.0124 0.13 0.837 0.0178 0.19 0.2252 0.9816 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base N08 mock treatment 0.779 0.00338 0.04 0.81 -0.0092 -0.1 -0.0447 -0.4285 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base N09 mock treatment 0.802 0.0264 0.27 0.846 0.0268 0.29 0.3957 0.9997 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base N10 mock treatment 0.773 -0.00262 -0.03 0.796 -0.0232 -0.25 -0.1944 -0.7798 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base N11 mock treatment 0.799 0.0234 0.24 0.824 0.0048 0.05 0.2075 0.8383 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base N12 mock treatment 0.786 0.0104 0.11 0.799 -0.0202 -0.22 -0.0765 -0.3174 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base N13 mock treatment 0.744 -0.0316 -0.33 0.803 -0.0162 -0.17 -0.3539 -0.9556 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base N14 mock treatment 0.766 -0.00962 -0.1 0.764 -0.0552 -0.59 -0.4874 -0.815 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base N15 mock treatment 0.791 0.0154 0.16 0.826 0.0068 0.07 0.164 0.9368 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base N16 mock treatment 0.743 -0.0326 -0.34 0.774 -0.0452 -0.48 -0.5803 -0.9847 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base N17 mock treatment 0.813 0.0374 0.39 0.828 0.0088 0.09 0.3403 0.854 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base N18 mock treatment 0.73 -0.0456 -0.47 0.791 -0.0282 -0.3 -0.5471 -0.9764 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base N19 mock treatment 0.771 -0.00462 -0.05 0.829 0.0098 0.1 0.0402 0.3496 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base N20 mock treatment 0.763 -0.0126 -0.13 0.803 -0.0162 -0.17 -0.2148 -0.9904 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base N21 mock treatment 0.738 -0.0376 -0.39 0.833 0.0138 0.15 -0.1712 -0.411 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base N22 mock treatment 0.77 -0.00562 -0.06 0.828 0.0088 0.09 0.0254 0.2294 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base N23 mock treatment 0.713 -0.0626 -0.65 0.781 -0.0382 -0.41 -0.7471 -0.9751 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base N24 mock treatment 0.687 -0.0886 -0.92 0.737 -0.0822 -0.88 -1.2699 -0.9998 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base O01 mock treatment 0.775 -6.16E-4 -0.01 0.772 -0.0472 -0.5 -0.3611 -0.716 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base O02 mock treatment 0.835 0.0594 0.62 0.797 -0.0222 -0.24 0.2672 0.4054 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base O03 mock treatment 0.789 0.0134 0.14 0.803 -0.0162 -0.17 -0.0243 -0.1098 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base O04 mock treatment 0.806 0.0304 0.31 0.876 0.0568 0.61 0.6516 0.9532 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base O05 mock treatment 0.739 -0.0366 -0.38 0.767 -0.0522 -0.56 -0.6625 -0.9823 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base O06 mock treatment 0.823 0.0474 0.49 0.843 0.0238 0.25 0.5268 0.9531 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base O07 mock treatment 0.719 -0.0566 -0.59 0.812 -0.0072 -0.08 -0.469 -0.793 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base O08 mock treatment 0.782 0.00638 0.07 0.831 0.0118 0.13 0.1359 0.9546 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base O09 mock treatment 0.741 -0.0346 -0.36 0.834 0.0148 0.16 -0.1417 -0.3616 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base O10 mock treatment 0.695 -0.0806 -0.83 0.792 -0.0272 -0.29 -0.7959 -0.9002 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base O11 mock treatment 0.729 -0.0466 -0.48 0.742 -0.0772 -0.82 -0.9246 -0.9675 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base O12 mock treatment 0.724 -0.0516 -0.53 0.782 -0.0372 -0.4 -0.659 -0.9893 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base O13 mock treatment 0.745 -0.0306 -0.32 0.766 -0.0532 -0.57 -0.6261 -0.962 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base O14 mock treatment 0.722 -0.0536 -0.56 0.776 -0.0432 -0.46 -0.719 -0.9958 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base O15 mock treatment 0.712 -0.0636 -0.66 0.757 -0.0622 -0.66 -0.9358 -1.0 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base O16 mock treatment 0.758 -0.0176 -0.18 0.814 -0.0052 -0.06 -0.1683 -0.8824 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base O17 mock treatment 0.682 -0.0936 -0.97 0.75 -0.0692 -0.74 -1.2083 -0.991 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base O18 mock treatment 0.727 -0.0486 -0.5 0.778 -0.0412 -0.44 -0.6673 -0.9978 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base O19 mock treatment 0.699 -0.0766 -0.79 0.682 -0.137 -1.47 -1.5975 -0.9585 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base O20 mock treatment 0.655 -0.121 -1.25 0.703 -0.116 -1.24 -1.7611 -1.0 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base O21 mock treatment 0.752 -0.0236 -0.24 0.76 -0.0592 -0.63 -0.6201 -0.9146 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base O22 mock treatment 0.638 -0.138 -1.43 0.732 -0.0872 -0.93 -1.6665 -0.9788 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base O23 mock treatment 0.601 -0.175 -1.81 0.736 -0.0832 -0.89 -1.9073 -0.9465 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base O24 mock treatment 0.707 -0.0686 -0.71 0.741 -0.0782 -0.84 -1.0932 -0.9968 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base P01 mock treatment 0.788 0.0124 0.13 0.77 -0.0492 -0.53 -0.281 -0.5193 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base P02 mock treatment 0.819 0.0434 0.45 0.849 0.0298 0.32 0.5429 0.9858 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base P03 mock treatment 0.784 0.00838 0.09 0.806 -0.0132 -0.14 -0.0383 -0.2313 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base P04 mock treatment 0.762 -0.0136 -0.14 0.807 -0.0122 -0.13 -0.1919 -0.9992 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base P05 mock treatment 0.763 -0.0126 -0.13 0.828 0.0088 0.09 -0.0259 -0.1609 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base P06 mock treatment 0.714 -0.0616 -0.64 0.795 -0.0242 -0.26 -0.634 -0.9209 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base P07 mock treatment 0.721 -0.0546 -0.57 0.792 -0.0272 -0.29 -0.6054 -0.9521 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base P08 mock treatment 0.647 -0.129 -1.33 0.684 -0.135 -1.44 -1.9632 -0.9992 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base P09 mock treatment 0.69 -0.0856 -0.89 0.743 -0.0762 -0.81 -1.2026 -0.9991 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base P10 mock treatment 0.655 -0.121 -1.25 0.714 -0.105 -1.12 -1.678 -0.9986 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base P11 mock treatment 0.723 -0.0526 -0.54 0.72 -0.0992 -1.06 -1.1347 -0.9522 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base P12 mock treatment 0.691 -0.0846 -0.88 0.822 0.0028 0.03 -0.5985 -0.6826 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base P13 mock treatment 0.686 -0.0896 -0.93 0.71 -0.109 -1.17 -1.4812 -0.9936 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base P14 mock treatment 0.663 -0.113 -1.17 0.723 -0.0962 -1.03 -1.5514 -0.998 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base P15 mock treatment 0.691 -0.0846 -0.88 0.764 -0.0552 -0.59 -1.0367 -0.9814 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base P16 mock treatment 0.683 -0.0926 -0.96 0.72 -0.0992 -1.06 -1.4276 -0.9988 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base P17 mock treatment 0.708 -0.0676 -0.7 0.722 -0.0972 -1.04 -1.2294 -0.9816 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base P18 mock treatment 0.583 -0.193 -1.99 0.759 -0.0602 -0.64 -1.8654 -0.89 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base P19 mock treatment 0.667 -0.109 -1.12 0.706 -0.113 -1.21 -1.6506 -0.9993 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base P20 mock treatment 0.61 -0.166 -1.72 0.712 -0.107 -1.15 -2.0227 -0.9807 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base P21 mock treatment 0.658 -0.118 -1.22 0.779 -0.0402 -0.43 -1.165 -0.902 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base P22 mock treatment 0.645 -0.131 -1.35 0.714 -0.105 -1.12 -1.7513 -0.9958 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base P23 mock treatment 0.686 -0.0896 -0.93 0.748 -0.0712 -0.76 -1.1942 -0.9951 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Base P24 mock treatment 0.621 -0.155 -1.6 0.685 -0.134 -1.43 -2.1461 -0.9985 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos A01 positive control 1.351 0.575 5.96 1.354 0.535 5.71 8.2539 0.9998 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos A02 positive control 1.438 0.662 6.86 1.393 0.574 6.13 9.1856 0.9984 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos A03 positive control 1.366 0.59 6.11 1.358 0.539 5.76 8.3939 0.9995 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos A04 positive control 1.434 0.658 6.82 1.436 0.617 6.59 9.4812 0.9999 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos A05 positive control 1.354 0.578 5.99 1.351 0.532 5.68 8.2532 0.9996 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos A06 positive control 1.389 0.613 6.35 1.386 0.567 6.06 8.7739 0.9997 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos A07 positive control 1.345 0.569 5.9 1.342 0.523 5.59 8.1193 0.9996 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos A08 positive control 1.375 0.599 6.21 1.4 0.581 6.2 8.7771 1.0 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos A09 positive control 1.34 0.564 5.85 1.356 0.537 5.73 8.1884 1.0 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos A10 positive control 1.38 0.604 6.26 1.395 0.576 6.15 8.776 1.0 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos A11 positive control 1.349 0.573 5.94 1.361 0.542 5.79 8.2921 0.9999 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos A12 positive control 1.385 0.609 6.31 1.398 0.579 6.18 8.8352 0.9999 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos A13 positive control 1.342 0.566 5.87 1.309 0.49 5.23 7.848 0.9984 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos A14 positive control 1.385 0.609 6.31 1.394 0.575 6.14 8.805 0.9999 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos A15 positive control 1.347 0.571 5.92 1.375 0.556 5.94 8.3832 1.0 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos A16 positive control 1.381 0.605 6.27 1.444 0.625 6.67 9.1534 0.9995 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos A17 positive control 1.352 0.576 5.97 1.37 0.551 5.88 8.382 1.0 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos A18 positive control 1.415 0.639 6.62 1.411 0.592 6.32 9.1532 0.9997 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos A19 positive control 1.491 0.715 7.41 1.368 0.549 5.86 9.3849 0.9933 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos A20 positive control 1.426 0.65 6.74 1.398 0.579 6.18 9.1355 0.9991 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos A21 positive control 1.348 0.572 5.93 1.359 0.54 5.77 8.2697 0.9999 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos A22 positive control 1.514 0.738 7.65 1.402 0.583 6.23 9.8102 0.9948 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos A23 positive control 1.372 0.596 6.18 1.351 0.532 5.68 8.385 0.9991 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos A24 positive control 1.395 0.619 6.41 1.401 0.582 6.22 8.9311 0.9999 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos B01 positive control 1.405 0.629 6.52 1.41 0.591 6.31 9.0724 0.9999 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos B02 positive control 1.379 0.603 6.25 1.368 0.549 5.86 8.5647 0.9995 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos B03 positive control 1.403 0.627 6.5 1.412 0.593 6.33 9.0728 0.9999 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos B04 positive control 1.377 0.601 6.23 1.378 0.559 5.97 8.6256 0.9998 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos B05 positive control 1.44 0.664 6.88 1.426 0.607 6.48 9.4496 0.9996 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos B06 positive control 1.378 0.602 6.24 1.395 0.576 6.15 8.7613 1.0 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos B07 positive control 1.392 0.616 6.38 1.406 0.587 6.27 8.9469 1.0 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos B08 positive control 1.356 0.58 6.01 1.348 0.529 5.65 8.2451 0.9995 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos B09 positive control 1.385 0.609 6.31 1.394 0.575 6.14 8.805 0.9999 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos B10 positive control 1.371 0.595 6.17 1.356 0.537 5.73 8.4154 0.9993 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos B11 positive control 1.403 0.627 6.5 1.428 0.609 6.5 9.1937 1.0 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos B12 positive control 1.347 0.571 5.92 1.41 0.591 6.31 8.6476 0.9995 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos B13 positive control 1.391 0.615 6.37 1.433 0.614 6.56 9.1436 0.9999 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos B14 positive control 1.354 0.578 5.99 1.369 0.55 5.87 8.3891 1.0 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos B15 positive control 1.388 0.612 6.34 1.412 0.593 6.33 8.963 1.0 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos B16 positive control 1.362 0.586 6.07 1.37 0.551 5.88 8.4553 0.9999 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos B17 positive control 1.388 0.612 6.34 1.384 0.565 6.03 8.7515 0.9997 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos B18 positive control 1.364 0.588 6.09 1.421 0.602 6.43 8.8552 0.9996 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos B19 positive control 1.415 0.639 6.62 1.42 0.601 6.42 9.2211 0.9999 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos B20 positive control 1.383 0.607 6.29 1.401 0.582 6.22 8.8433 1.0 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos B21 positive control 1.401 0.625 6.48 1.375 0.556 5.94 8.7787 0.9991 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos B22 positive control 1.383 0.607 6.29 1.311 0.492 5.25 8.1634 0.996 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos B23 positive control 1.421 0.645 6.68 1.392 0.573 6.12 9.0536 0.999 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos B24 positive control 1.389 0.613 6.35 1.37 0.551 5.88 8.653 0.9993 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos C01 positive control 1.362 0.586 6.07 1.363 0.544 5.81 8.4024 0.9998 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos C02 positive control 1.484 0.708 7.34 1.461 0.642 6.86 10.0362 0.9994 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos C03 positive control 1.36 0.584 6.05 1.369 0.55 5.87 8.4331 0.9999 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos C04 positive control 1.435 0.659 6.83 1.42 0.601 6.42 9.3676 0.9995 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos C05 positive control 1.362 0.586 6.07 1.522 0.703 7.51 9.6035 0.9945 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos C06 positive control 1.415 0.639 6.62 1.42 0.601 6.42 9.2211 0.9999 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos C07 positive control 1.349 0.573 5.94 1.386 0.567 6.06 8.4809 1.0 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos C08 positive control 1.383 0.607 6.29 1.477 0.658 7.03 9.4174 0.9985 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos C09 positive control 1.332 0.556 5.76 1.423 0.604 6.45 8.636 0.9984 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos C10 positive control 1.38 0.604 6.26 1.401 0.582 6.22 8.8213 1.0 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos C11 positive control 1.337 0.561 5.81 1.384 0.565 6.03 8.378 0.9998 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos C12 positive control 1.37 0.594 6.16 1.414 0.595 6.35 8.8463 0.9999 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos C13 positive control 1.347 0.571 5.92 1.405 0.586 6.26 8.6098 0.9996 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos C14 positive control 1.38 0.604 6.26 1.419 0.6 6.41 8.9573 0.9999 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos C15 positive control 1.348 0.572 5.93 1.415 0.596 6.37 8.6927 0.9994 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos C16 positive control 1.37 0.594 6.16 1.39 0.571 6.1 8.665 1.0 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos C17 positive control 1.338 0.562 5.82 1.356 0.537 5.73 8.1738 1.0 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos C18 positive control 1.374 0.598 6.2 1.4 0.581 6.2 8.7698 1.0 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos C19 positive control 1.367 0.591 6.12 1.365 0.546 5.83 8.4541 0.9997 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos C20 positive control 1.375 0.599 6.21 1.425 0.606 6.47 8.966 0.9998 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos C21 positive control 1.301 0.525 5.44 1.291 0.472 5.04 7.4118 0.9993 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos C22 positive control 1.402 0.626 6.49 1.371 0.552 5.9 8.7558 0.9989 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos C23 positive control 1.362 0.586 6.07 1.407 0.588 6.28 8.7348 0.9999 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos C24 positive control 1.397 0.621 6.44 1.413 0.594 6.34 9.0364 1.0 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos D01 positive control 1.404 0.628 6.51 1.388 0.569 6.08 8.8988 0.9994 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos D02 positive control 1.366 0.59 6.11 1.369 0.55 5.87 8.477 0.9998 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos D03 positive control 1.4 0.624 6.47 1.405 0.586 6.26 8.998 0.9999 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos D04 positive control 1.364 0.588 6.09 1.381 0.562 6.0 8.553 1.0 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos D05 positive control 1.495 0.719 7.45 1.429 0.61 6.51 9.875 0.9978 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos D06 positive control 1.376 0.6 6.22 1.391 0.572 6.11 8.7165 1.0 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos D07 positive control 1.383 0.607 6.29 1.417 0.598 6.39 8.9641 1.0 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos D08 positive control 1.35 0.574 5.95 1.394 0.575 6.14 8.5487 0.9999 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos D09 positive control 1.431 0.655 6.79 1.425 0.606 6.47 9.3761 0.9997 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos D10 positive control 1.347 0.571 5.92 1.388 0.569 6.08 8.4814 0.9999 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos D11 positive control 1.395 0.619 6.41 1.417 0.598 6.39 9.052 1.0 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos D12 positive control 1.343 0.567 5.88 1.393 0.574 6.13 8.4899 0.9998 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos D13 positive control 1.384 0.608 6.3 1.428 0.609 6.5 9.0545 0.9999 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos D14 positive control 1.349 0.573 5.94 1.395 0.576 6.15 8.5489 0.9998 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos D15 positive control 1.381 0.605 6.27 1.424 0.605 6.46 9.0024 0.9999 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos D16 positive control 1.362 0.586 6.07 1.404 0.585 6.25 8.7121 0.9999 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos D17 positive control 1.383 0.607 6.29 1.385 0.566 6.04 8.7224 0.9998 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos D18 positive control 1.353 0.577 5.98 1.411 0.592 6.32 8.6991 0.9996 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos D19 positive control 1.382 0.606 6.28 1.416 0.597 6.38 8.9492 1.0 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos D20 positive control 1.36 0.584 6.05 1.336 0.517 5.52 8.1838 0.9989 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos D21 positive control 1.355 0.579 6.0 1.356 0.537 5.73 8.2983 0.9997 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos D22 positive control 1.358 0.582 6.03 1.355 0.536 5.72 8.3127 0.9997 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos D23 positive control 1.387 0.611 6.33 1.395 0.576 6.15 8.8272 0.9999 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos D24 positive control 1.466 0.69 7.15 1.357 0.538 5.75 9.1187 0.9941 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos E01 positive control 1.367 0.591 6.12 1.379 0.56 5.98 8.5599 0.9999 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos E02 positive control 1.402 0.626 6.49 1.449 0.63 6.73 9.345 0.9998 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos E03 positive control 1.373 0.597 6.19 1.414 0.595 6.35 8.8682 0.9999 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos E04 positive control 1.411 0.635 6.58 1.418 0.599 6.4 9.1767 0.9999 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos E05 positive control 1.37 0.594 6.16 1.382 0.563 6.01 8.6045 0.9999 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos E06 positive control 1.4 0.624 6.47 1.412 0.593 6.33 9.0509 0.9999 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos E07 positive control 1.354 0.578 5.99 1.399 0.58 6.19 8.6158 0.9999 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos E08 positive control 1.386 0.61 6.32 1.436 0.617 6.59 9.1296 0.9998 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos E09 positive control 1.342 0.566 5.87 1.399 0.58 6.19 8.5279 0.9996 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos E10 positive control 1.387 0.611 6.33 1.432 0.613 6.55 9.1067 0.9999 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos E11 positive control 1.351 0.575 5.96 1.409 0.59 6.3 8.6693 0.9996 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos E12 positive control 1.377 0.601 6.23 1.435 0.616 6.58 9.0562 0.9996 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos E13 positive control 1.371 0.595 6.17 1.404 0.585 6.25 8.778 1.0 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos E14 positive control 1.392 0.616 6.38 1.477 0.658 7.03 9.4833 0.9989 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos E15 positive control 1.349 0.573 5.94 1.408 0.589 6.29 8.6471 0.9996 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos E16 positive control 1.37 0.594 6.16 1.481 0.662 7.07 9.3524 0.9976 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos E17 positive control 1.34 0.564 5.85 1.377 0.558 5.96 8.347 1.0 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos E18 positive control 1.367 0.591 6.12 1.421 0.602 6.43 8.8772 0.9997 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos E19 positive control 1.36 0.584 6.05 1.4 0.581 6.2 8.6673 0.9999 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos E20 positive control 1.398 0.622 6.45 1.43 0.611 6.53 9.1722 1.0 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos E21 positive control 1.344 0.568 5.89 1.378 0.559 5.97 8.3839 1.0 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos E22 positive control 1.367 0.591 6.12 1.413 0.594 6.34 8.8167 0.9998 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos E23 positive control 1.365 0.589 6.1 1.376 0.557 5.95 8.5226 0.9999 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos E24 positive control 1.415 0.639 6.62 1.385 0.566 6.04 8.9567 0.999 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos F01 positive control 1.417 0.641 6.64 1.392 0.573 6.12 9.0243 0.9992 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos F02 positive control 1.379 0.603 6.25 1.391 0.572 6.11 8.7384 0.9999 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos F03 positive control 1.406 0.63 6.53 1.448 0.629 6.72 9.3667 0.9999 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos F04 positive control 1.391 0.615 6.37 1.384 0.565 6.03 8.7734 0.9996 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos F05 positive control 1.404 0.628 6.51 1.391 0.572 6.11 8.9215 0.9995 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos F06 positive control 1.381 0.605 6.27 1.392 0.573 6.12 8.7606 0.9999 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos F07 positive control 1.396 0.62 6.43 1.427 0.608 6.49 9.1349 1.0 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos F08 positive control 1.367 0.591 6.12 1.402 0.583 6.23 8.7336 1.0 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos F09 positive control 1.383 0.607 6.29 1.453 0.634 6.77 9.2361 0.9993 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos F10 positive control 1.35 0.574 5.95 1.407 0.588 6.28 8.6469 0.9996 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos F11 positive control 1.462 0.686 7.11 1.434 0.615 6.57 9.6711 0.9992 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos F12 positive control 1.36 0.584 6.05 1.396 0.577 6.16 8.637 1.0 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos F13 positive control 1.386 0.61 6.32 1.436 0.617 6.59 9.1296 0.9998 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos F14 positive control 1.361 0.585 6.06 1.448 0.629 6.72 9.0372 0.9987 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos F15 positive control 1.383 0.607 6.29 1.369 0.55 5.87 8.6015 0.9994 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos F16 positive control 1.343 0.567 5.88 1.401 0.582 6.22 8.5503 0.9996 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos F17 positive control 1.39 0.614 6.36 1.401 0.582 6.22 8.8945 0.9999 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos F18 positive control 1.352 0.576 5.97 1.419 0.6 6.41 8.7522 0.9994 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos F19 positive control 1.401 0.625 6.48 1.366 0.547 5.84 8.7107 0.9987 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos F20 positive control 1.375 0.599 6.21 1.387 0.568 6.07 8.6789 0.9999 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos F21 positive control 1.383 0.607 6.29 1.41 0.591 6.31 8.9112 1.0 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos F22 positive control 1.35 0.574 5.95 1.385 0.566 6.04 8.4807 1.0 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos F23 positive control 1.387 0.611 6.33 1.385 0.566 6.04 8.7517 0.9997 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos F24 positive control 1.38 0.604 6.26 1.381 0.562 6.0 8.6702 0.9998 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos G01 positive control 1.354 0.578 5.99 1.358 0.539 5.76 8.306 0.9998 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos G02 positive control 1.404 0.628 6.51 1.415 0.596 6.37 9.1028 0.9999 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos G03 positive control 1.36 0.584 6.05 1.406 0.587 6.27 8.7126 0.9998 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos G04 positive control 1.399 0.623 6.46 1.416 0.597 6.38 9.0737 1.0 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos G05 positive control 1.357 0.581 6.02 1.404 0.585 6.25 8.6755 0.9998 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos G06 positive control 1.389 0.613 6.35 1.419 0.6 6.41 9.0232 1.0 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos G07 positive control 1.344 0.568 5.89 1.408 0.589 6.29 8.6105 0.9995 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos G08 positive control 1.381 0.605 6.27 1.452 0.633 6.76 9.2139 0.9993 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos G09 positive control 1.342 0.566 5.87 1.408 0.589 6.29 8.5959 0.9994 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos G10 positive control 1.362 0.586 6.07 1.428 0.609 6.5 8.8934 0.9994 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos G11 positive control 1.353 0.577 5.98 1.41 0.591 6.31 8.6915 0.9996 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos G12 positive control 1.378 0.602 6.24 1.44 0.621 6.63 9.1013 0.9995 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos G13 positive control 1.356 0.58 6.01 1.45 0.631 6.74 9.0157 0.9984 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos G14 positive control 1.379 0.603 6.25 1.405 0.586 6.26 8.8442 1.0 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos G15 positive control 1.333 0.557 5.77 1.422 0.603 6.44 8.6357 0.9985 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos G16 positive control 1.363 0.587 6.08 1.385 0.566 6.04 8.5759 1.0 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos G17 positive control 1.348 0.572 5.93 1.415 0.596 6.37 8.6927 0.9994 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos G18 positive control 1.385 0.609 6.31 1.412 0.593 6.33 8.941 1.0 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos G19 positive control 1.342 0.566 5.87 1.378 0.559 5.97 8.3692 1.0 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos G20 positive control 1.402 0.626 6.49 1.353 0.534 5.7 8.6198 0.9979 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos G21 positive control 1.351 0.575 5.96 1.387 0.568 6.07 8.5031 1.0 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos G22 positive control 1.378 0.602 6.24 1.416 0.597 6.38 8.92 0.9999 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos G23 positive control 1.362 0.586 6.07 1.375 0.556 5.94 8.4931 0.9999 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos G24 positive control 1.394 0.618 6.4 1.381 0.562 6.0 8.7727 0.9995 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos H01 positive control 1.393 0.617 6.39 1.376 0.557 5.95 8.7276 0.9993 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos H02 positive control 1.371 0.595 6.17 1.373 0.554 5.92 8.5439 0.9998 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos H03 positive control 1.406 0.63 6.53 1.432 0.613 6.55 9.2459 1.0 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos H04 positive control 1.366 0.59 6.11 1.382 0.563 6.01 8.5752 1.0 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos H05 positive control 1.397 0.621 6.44 1.407 0.588 6.28 8.9911 0.9999 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos H06 positive control 1.371 0.595 6.17 1.383 0.564 6.02 8.6194 0.9999 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos H07 positive control 1.392 0.616 6.38 1.422 0.603 6.44 9.0678 1.0 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos H08 positive control 1.33 0.554 5.74 1.404 0.585 6.25 8.4778 0.9991 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos H09 positive control 1.383 0.607 6.29 1.434 0.615 6.57 9.0925 0.9998 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos H10 positive control 1.382 0.606 6.28 1.413 0.594 6.34 8.9266 1.0 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos H11 positive control 1.384 0.608 6.3 1.436 0.617 6.59 9.115 0.9997 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos H12 positive control 1.345 0.569 5.9 1.417 0.598 6.39 8.6858 0.9992 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos H13 positive control 1.38 0.604 6.26 1.417 0.598 6.39 8.9422 0.9999 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos H14 positive control 1.347 0.571 5.92 1.419 0.6 6.41 8.7156 0.9992 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos H15 positive control 1.38 0.604 6.26 1.432 0.613 6.55 9.0555 0.9997 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos H16 positive control 1.353 0.577 5.98 1.392 0.573 6.12 8.5556 0.9999 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos H17 positive control 1.41 0.634 6.57 1.43 0.611 6.53 9.2601 1.0 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos H18 positive control 1.35 0.574 5.95 1.415 0.596 6.37 8.7073 0.9994 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos H19 positive control 1.402 0.626 6.49 1.382 0.563 6.01 8.8389 0.9993 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos H20 positive control 1.376 0.6 6.22 1.37 0.551 5.88 8.5578 0.9996 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos H21 positive control 1.381 0.605 6.27 1.405 0.586 6.26 8.8588 1.0 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos H22 positive control 1.353 0.577 5.98 1.375 0.556 5.94 8.4271 1.0 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos H23 positive control 1.39 0.614 6.36 1.418 0.599 6.4 9.0229 1.0 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos H24 positive control 1.377 0.601 6.23 1.369 0.55 5.87 8.5576 0.9996 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos I01 positive control 1.388 0.612 6.34 1.396 0.577 6.16 8.8421 0.9999 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos I02 positive control 1.422 0.646 6.69 1.438 0.619 6.61 9.4084 1.0 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos I03 positive control 1.371 0.595 6.17 1.384 0.565 6.03 8.627 0.9999 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos I04 positive control 1.405 0.629 6.52 1.426 0.607 6.48 9.1932 1.0 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos I05 positive control 1.372 0.596 6.18 1.387 0.568 6.07 8.6569 1.0 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos I06 positive control 1.391 0.615 6.37 1.408 0.589 6.29 8.9547 1.0 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos I07 positive control 1.341 0.565 5.86 1.412 0.593 6.33 8.6188 0.9992 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos I08 positive control 1.409 0.633 6.56 1.432 0.613 6.55 9.2679 1.0 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos I09 positive control 1.344 0.568 5.89 1.396 0.577 6.16 8.5199 0.9997 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos I10 positive control 1.399 0.623 6.46 1.436 0.617 6.59 9.2248 0.9999 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos I11 positive control 1.357 0.581 6.02 1.416 0.597 6.38 8.7662 0.9996 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos I12 positive control 1.397 0.621 6.44 1.452 0.633 6.76 9.3311 0.9997 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos I13 positive control 1.35 0.574 5.95 1.418 0.599 6.4 8.73 0.9993 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos I14 positive control 1.405 0.629 6.52 1.469 0.65 6.94 9.5181 0.9995 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos I15 positive control 1.365 0.589 6.1 1.405 0.586 6.26 8.7417 0.9999 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos I16 positive control 1.404 0.628 6.51 1.449 0.63 6.73 9.3597 0.9999 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos I17 positive control 1.354 0.578 5.99 1.377 0.558 5.96 8.4496 1.0 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos I18 positive control 1.399 0.623 6.46 1.426 0.607 6.48 9.1493 1.0 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos I19 positive control 1.345 0.569 5.9 1.393 0.574 6.13 8.5045 0.9998 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos I20 positive control 1.398 0.622 6.45 1.415 0.596 6.37 9.0589 1.0 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos I21 positive control 1.342 0.566 5.87 1.39 0.571 6.1 8.4599 0.9998 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos I22 positive control 1.385 0.609 6.31 1.415 0.596 6.37 8.9637 1.0 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos I23 positive control 1.357 0.581 6.02 1.338 0.519 5.54 8.1769 0.9991 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos I24 positive control 1.417 0.641 6.64 1.442 0.623 6.65 9.402 1.0 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos J01 positive control 1.408 0.632 6.55 1.405 0.586 6.26 9.0566 0.9997 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos J02 positive control 1.385 0.609 6.31 1.403 0.584 6.24 8.873 1.0 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos J03 positive control 1.414 0.638 6.61 1.437 0.618 6.6 9.3422 1.0 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos J04 positive control 1.386 0.61 6.32 1.516 0.697 7.44 9.734 0.9967 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos J05 positive control 1.401 0.625 6.48 1.4 0.581 6.2 8.9675 0.9998 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos J06 positive control 1.399 0.623 6.46 1.387 0.568 6.07 8.8547 0.9995 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos J07 positive control 1.4 0.624 6.47 1.427 0.608 6.49 9.1642 1.0 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos J08 positive control 1.362 0.586 6.07 1.404 0.585 6.25 8.7121 0.9999 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos J09 positive control 1.382 0.606 6.28 1.428 0.609 6.5 9.0399 0.9998 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos J10 positive control 1.346 0.57 5.91 1.407 0.588 6.28 8.6176 0.9995 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos J11 positive control 1.391 0.615 6.37 1.393 0.574 6.13 8.8414 0.9998 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos J12 positive control 1.361 0.585 6.06 1.381 0.562 6.0 8.5311 1.0 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos J13 positive control 1.383 0.607 6.29 1.433 0.614 6.56 9.085 0.9998 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos J14 positive control 1.357 0.581 6.02 1.411 0.592 6.32 8.7284 0.9997 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos J15 positive control 1.392 0.616 6.38 1.396 0.577 6.16 8.8714 0.9998 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos J16 positive control 1.361 0.585 6.06 1.406 0.587 6.27 8.7199 0.9999 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos J17 positive control 1.408 0.632 6.55 1.426 0.607 6.48 9.2152 1.0 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos J18 positive control 1.374 0.598 6.2 1.408 0.589 6.29 8.8302 1.0 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos J19 positive control 1.444 0.668 6.92 1.43 0.611 6.53 9.5091 0.9996 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos J20 positive control 1.378 0.602 6.24 1.387 0.568 6.07 8.7009 0.9999 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos J21 positive control 1.452 0.676 7.01 1.412 0.593 6.33 9.4317 0.9987 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos J22 positive control 1.376 0.6 6.22 1.389 0.57 6.09 8.7013 0.9999 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos J23 positive control 1.389 0.613 6.35 1.421 0.602 6.43 9.0383 1.0 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos J24 positive control 1.38 0.604 6.26 1.463 0.644 6.88 9.2896 0.9989 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos K01 positive control 1.377 0.601 6.23 1.388 0.569 6.08 8.7011 0.9999 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos K02 positive control 1.458 0.682 7.07 1.396 0.577 6.16 9.3548 0.9977 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos K03 positive control 1.381 0.605 6.27 1.395 0.576 6.15 8.7833 1.0 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos K04 positive control 1.39 0.614 6.36 1.48 0.661 7.06 9.4913 0.9987 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos K05 positive control 1.368 0.592 6.14 1.4 0.581 6.2 8.7259 1.0 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos K06 positive control 1.438 0.662 6.86 1.429 0.61 6.51 9.4576 0.9997 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos K07 positive control 1.357 0.581 6.02 1.414 0.595 6.35 8.7511 0.9996 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos K08 positive control 1.393 0.617 6.39 1.425 0.606 6.47 9.0978 1.0 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos K09 positive control 1.359 0.583 6.04 1.402 0.583 6.23 8.675 0.9999 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos K10 positive control 1.382 0.606 6.28 1.44 0.621 6.63 9.1305 0.9996 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos K11 positive control 1.368 0.592 6.14 1.406 0.587 6.27 8.7712 0.9999 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos K12 positive control 1.364 0.588 6.09 1.449 0.63 6.73 9.0667 0.9988 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos K13 positive control 1.335 0.559 5.79 1.409 0.59 6.3 8.5522 0.9991 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos K14 positive control 1.364 0.588 6.09 1.43 0.611 6.53 8.9232 0.9994 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos K15 positive control 1.346 0.57 5.91 1.401 0.582 6.22 8.5723 0.9997 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos K16 positive control 1.383 0.607 6.29 1.43 0.611 6.53 9.0623 0.9998 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos K17 positive control 1.349 0.573 5.94 1.353 0.534 5.7 8.2317 0.9998 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos K18 positive control 1.387 0.611 6.33 1.432 0.613 6.55 9.1067 0.9999 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos K19 positive control 1.389 0.613 6.35 1.385 0.566 6.04 8.7663 0.9997 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos K20 positive control 1.384 0.608 6.3 1.421 0.602 6.43 9.0017 0.9999 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos K21 positive control 1.377 0.601 6.23 1.377 0.558 5.96 8.618 0.9998 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos K22 positive control 1.422 0.646 6.69 1.414 0.595 6.35 9.2271 0.9997 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos K23 positive control 1.393 0.617 6.39 1.364 0.545 5.82 8.637 0.9989 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos K24 positive control 1.398 0.622 6.45 1.4 0.581 6.2 8.9456 0.9998 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos L01 positive control 1.397 0.621 6.44 1.379 0.56 5.98 8.7796 0.9993 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos L02 positive control 1.377 0.601 6.23 1.393 0.574 6.13 8.7389 1.0 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos L03 positive control 1.409 0.633 6.56 1.415 0.596 6.37 9.1394 0.9999 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos L04 positive control 1.36 0.584 6.05 1.38 0.561 5.99 8.5162 1.0 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos L05 positive control 1.397 0.621 6.44 1.419 0.6 6.41 9.0818 1.0 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos L06 positive control 1.377 0.601 6.23 1.394 0.575 6.14 8.7464 1.0 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos L07 positive control 1.384 0.608 6.3 1.419 0.6 6.41 8.9866 1.0 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos L08 positive control 1.35 0.574 5.95 1.396 0.577 6.16 8.5638 0.9998 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos L09 positive control 1.378 0.602 6.24 1.425 0.606 6.47 8.9879 0.9998 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos L10 positive control 1.349 0.573 5.94 1.394 0.575 6.14 8.5414 0.9999 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos L11 positive control 1.376 0.6 6.22 1.422 0.603 6.44 8.9506 0.9998 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos L12 positive control 1.422 0.646 6.69 1.397 0.578 6.17 9.0987 0.9992 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos L13 positive control 1.373 0.597 6.19 1.45 0.631 6.74 9.1402 0.9991 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos L14 positive control 1.347 0.571 5.92 1.394 0.575 6.14 8.5267 0.9998 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos L15 positive control 1.382 0.606 6.28 1.415 0.596 6.37 8.9417 1.0 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos L16 positive control 1.355 0.579 6.0 1.38 0.561 5.99 8.4796 1.0 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos L17 positive control 1.411 0.635 6.58 1.423 0.604 6.45 9.2145 1.0 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos L18 positive control 1.383 0.607 6.29 1.414 0.595 6.35 8.9415 1.0 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos L19 positive control 1.397 0.621 6.44 1.415 0.596 6.37 9.0515 1.0 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos L20 positive control 1.366 0.59 6.11 1.402 0.583 6.23 8.7263 1.0 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos L21 positive control 1.409 0.633 6.56 1.408 0.589 6.29 9.0865 0.9998 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos L22 positive control 1.369 0.593 6.15 1.374 0.555 5.93 8.5368 0.9998 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos L23 positive control 1.388 0.612 6.34 1.403 0.584 6.24 8.895 1.0 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos L24 positive control 1.385 0.609 6.31 1.382 0.563 6.01 8.7144 0.9997 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos M01 positive control 1.379 0.603 6.25 1.383 0.564 6.02 8.678 0.9998 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos M02 positive control 1.414 0.638 6.61 1.431 0.612 6.54 9.2969 1.0 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos M03 positive control 1.363 0.587 6.08 1.382 0.563 6.01 8.5533 1.0 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos M04 positive control 1.397 0.621 6.44 1.416 0.597 6.38 9.0591 1.0 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos M05 positive control 1.347 0.571 5.92 1.372 0.553 5.91 8.3605 1.0 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos M06 positive control 1.449 0.673 6.97 1.43 0.611 6.53 9.5457 0.9994 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos M07 positive control 1.376 0.6 6.22 1.395 0.576 6.15 8.7467 1.0 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos M08 positive control 1.404 0.628 6.51 1.404 0.585 6.25 9.0197 0.9998 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos M09 positive control 1.367 0.591 6.12 1.413 0.594 6.34 8.8167 0.9998 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos M10 positive control 1.365 0.589 6.1 1.441 0.622 6.64 9.0136 0.9991 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos M11 positive control 1.35 0.574 5.95 1.396 0.577 6.16 8.5638 0.9998 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos M12 positive control 1.381 0.605 6.27 1.446 0.627 6.7 9.1686 0.9995 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos M13 positive control 1.346 0.57 5.91 1.395 0.576 6.15 8.527 0.9998 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos M14 positive control 1.365 0.589 6.1 1.42 0.601 6.42 8.855 0.9997 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos M15 positive control 1.341 0.565 5.86 1.415 0.596 6.37 8.6414 0.9991 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos M16 positive control 1.374 0.598 6.2 1.417 0.598 6.39 8.8982 0.9999 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos M17 positive control 1.342 0.566 5.87 1.403 0.584 6.24 8.5581 0.9995 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos M18 positive control 1.362 0.586 6.07 1.417 0.598 6.39 8.8103 0.9997 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos M19 positive control 1.378 0.602 6.24 1.382 0.563 6.01 8.6631 0.9998 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos M20 positive control 1.386 0.61 6.32 1.415 0.596 6.37 8.971 1.0 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos M21 positive control 1.346 0.57 5.91 1.369 0.55 5.87 8.3306 1.0 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos M22 positive control 1.425 0.649 6.73 1.41 0.591 6.31 9.2188 0.9995 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos M23 positive control 1.376 0.6 6.22 1.38 0.561 5.99 8.6334 0.9998 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos M24 positive control 1.391 0.615 6.37 1.386 0.567 6.06 8.7885 0.9997 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos N01 positive control 1.395 0.619 6.41 1.397 0.578 6.17 8.9009 0.9998 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos N02 positive control 1.388 0.612 6.34 1.393 0.574 6.13 8.8194 0.9999 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos N03 positive control 1.403 0.627 6.5 1.396 0.577 6.16 8.952 0.9996 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos N04 positive control 1.371 0.595 6.17 1.373 0.554 5.92 8.5439 0.9998 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos N05 positive control 1.388 0.612 6.34 1.414 0.595 6.35 8.9781 1.0 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos N06 positive control 1.371 0.595 6.17 1.377 0.558 5.96 8.5741 0.9999 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos N07 positive control 1.379 0.603 6.25 1.417 0.598 6.39 8.9348 0.9999 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos N08 positive control 1.347 0.571 5.92 1.396 0.577 6.16 8.5418 0.9998 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos N09 positive control 1.391 0.615 6.37 1.414 0.595 6.35 9.0001 1.0 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos N10 positive control 1.353 0.577 5.98 1.401 0.582 6.22 8.6236 0.9998 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos N11 positive control 1.368 0.592 6.14 1.416 0.597 6.38 8.8467 0.9998 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos N12 positive control 1.336 0.56 5.8 1.39 0.571 6.1 8.416 0.9997 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos N13 positive control 1.364 0.588 6.09 1.41 0.591 6.31 8.7721 0.9998 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos N14 positive control 1.341 0.565 5.86 1.387 0.568 6.07 8.4299 0.9998 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos N15 positive control 1.371 0.595 6.17 1.415 0.596 6.37 8.8611 0.9999 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos N16 positive control 1.333 0.557 5.77 1.397 0.578 6.17 8.4469 0.9994 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos N17 positive control 1.364 0.588 6.09 1.465 0.646 6.9 9.1876 0.9981 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos N18 positive control 1.343 0.567 5.88 1.403 0.584 6.24 8.5654 0.9996 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos N19 positive control 1.383 0.607 6.29 1.408 0.589 6.29 8.8961 1.0 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos N20 positive control 1.365 0.589 6.1 1.378 0.559 5.97 8.5377 0.9999 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos N21 positive control 1.379 0.603 6.25 1.411 0.592 6.32 8.8895 1.0 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos N22 positive control 1.351 0.575 5.96 1.378 0.559 5.97 8.4352 1.0 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos N23 positive control 1.38 0.604 6.26 1.374 0.555 5.93 8.6173 0.9996 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos N24 positive control 1.365 0.589 6.1 1.382 0.563 6.01 8.5679 1.0 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos O01 positive control 1.375 0.599 6.21 1.36 0.541 5.78 8.4749 0.9994 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos O02 positive control 1.448 0.672 6.96 1.404 0.585 6.25 9.342 0.9985 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos O03 positive control 1.374 0.598 6.2 1.372 0.553 5.91 8.5583 0.9997 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos O04 positive control 1.389 0.613 6.35 1.419 0.6 6.41 9.0232 1.0 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos O05 positive control 1.362 0.586 6.07 1.345 0.526 5.62 8.2664 0.9992 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos O06 positive control 1.401 0.625 6.48 1.427 0.608 6.49 9.1715 1.0 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos O07 positive control 1.353 0.577 5.98 1.404 0.585 6.25 8.6462 0.9998 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos O08 positive control 1.364 0.588 6.09 1.442 0.623 6.65 9.0138 0.999 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos O09 positive control 1.349 0.573 5.94 1.404 0.585 6.25 8.6169 0.9997 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos O10 positive control 1.367 0.591 6.12 1.428 0.609 6.5 8.93 0.9995 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos O11 positive control 1.337 0.561 5.81 1.404 0.585 6.25 8.529 0.9994 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos O12 positive control 1.36 0.584 6.05 1.424 0.605 6.46 8.8486 0.9995 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos O13 positive control 1.336 0.56 5.8 1.388 0.569 6.08 8.4008 0.9997 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos O14 positive control 1.383 0.607 6.29 1.415 0.596 6.37 8.949 1.0 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos O15 positive control 1.331 0.555 5.75 1.421 0.602 6.43 8.6135 0.9985 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos O16 positive control 1.421 0.645 6.68 1.424 0.605 6.46 9.2953 0.9999 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos O17 positive control 1.325 0.549 5.69 1.395 0.576 6.15 8.3732 0.9992 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos O18 positive control 1.393 0.617 6.39 1.416 0.597 6.38 9.0298 1.0 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos O19 positive control 1.37 0.594 6.16 1.385 0.566 6.04 8.6272 1.0 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos O20 positive control 1.415 0.639 6.62 1.414 0.595 6.35 9.1758 0.9998 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos O21 positive control 1.33 0.554 5.74 1.377 0.558 5.96 8.2738 0.9998 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos O22 positive control 1.439 0.663 6.87 1.396 0.577 6.16 9.2156 0.9985 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos O23 positive control 1.377 0.601 6.23 1.386 0.567 6.06 8.686 0.9999 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos O24 positive control 1.393 0.617 6.39 1.513 0.694 7.41 9.7626 0.9973 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos P01 positive control 1.4 0.624 6.47 1.384 0.565 6.03 8.8393 0.9994 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos P02 positive control 1.382 0.606 6.28 1.377 0.558 5.96 8.6546 0.9997 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos P03 positive control 1.402 0.626 6.49 1.396 0.577 6.16 8.9446 0.9997 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos P04 positive control 1.398 0.622 6.45 1.343 0.524 5.6 8.515 0.9975 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos P05 positive control 1.406 0.63 6.53 1.387 0.568 6.07 8.9059 0.9993 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos P06 positive control 1.366 0.59 6.11 1.349 0.53 5.66 8.3259 0.9993 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos P07 positive control 1.384 0.608 6.3 1.4 0.581 6.2 8.843 1.0 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos P08 positive control 1.342 0.566 5.87 1.353 0.534 5.7 8.1804 0.9999 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos P09 positive control 1.373 0.597 6.19 1.4 0.581 6.2 8.7625 1.0 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos P10 positive control 1.339 0.563 5.83 1.365 0.546 5.83 8.2491 1.0 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos P11 positive control 1.372 0.596 6.18 1.396 0.577 6.16 8.7249 1.0 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos P12 positive control 1.33 0.554 5.74 1.394 0.575 6.14 8.4022 0.9994 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos P13 positive control 1.365 0.589 6.1 1.415 0.596 6.37 8.8172 0.9998 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos P14 positive control 1.343 0.567 5.88 1.367 0.548 5.85 8.2935 1.0 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos P15 positive control 1.372 0.596 6.18 1.388 0.569 6.08 8.6645 1.0 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos P16 positive control 1.338 0.562 5.82 1.379 0.56 5.98 8.3475 0.9999 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos P17 positive control 1.381 0.605 6.27 1.406 0.587 6.27 8.8664 1.0 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos P18 positive control 1.349 0.573 5.94 1.421 0.602 6.43 8.7453 0.9992 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos P19 positive control 1.408 0.632 6.55 1.395 0.576 6.15 8.981 0.9995 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos P20 positive control 1.367 0.591 6.12 1.366 0.547 5.84 8.4617 0.9997 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos P21 positive control 1.379 0.603 6.25 1.412 0.593 6.33 8.8971 1.0 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos P22 positive control 1.38 0.604 6.26 1.373 0.554 5.92 8.6098 0.9996 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos P23 positive control 1.439 0.663 6.87 1.398 0.579 6.18 9.2307 0.9986 1091.0046 OpticalDensity(1091.0046) PDERegulators 1091.0046.Pos P24 positive control 1.371 0.595 6.17 1.433 0.614 6.56 8.9971 0.9995