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|
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CC(C)C1=CC=CC(=N1)NC=CC=NC#N | 6.482501 | 6.723267 | 7.346783 | 6.230827 | 7.004056 | 5.908765 | 6.678109 | 6.862739 | 6.814711 | 6.537381 | 6.420175 | 6.848481 | 6.101921 | 6.79722 | 6.310444 | 6.183641 | 6.681263 | 6.564353 | 6.25251 | 6.260654 | 6.538576 | 6.773743 | 6.496612 | 6.961823 | 6.555644 | 6.406242 | 6.97406 | 6.685004 | 6.593473 | 6.33135 | 6.77575 | 6.441847 | 6.509449 | 6.109414 | 6.706026 | 6.641026 | 6.934695 | 6.363472 | 6.536709 | 6.629261 | 6.914167 | 6.724425 | 7.121848 | 7.025859 | 5.7839 | 6.095366 | 6.330531 | 6.523732 | 5.698456 | 6.258817 | 6.769278 | 6.90471 | 6.084537 | 6.324683 | 6.40785 | 6.159178 | 7.275481 | 6.125461 | 7.093119 | 6.28365 | 6.049602 | 6.782796 | 6.637461 | 6.393047 | 6.984386 | 6.91915 | 6.50141 | 6.250018 | 6.640363 | 6.737419 | 6.873791 | 6.489349 | 6.336205 | 6.653664 | 6.385749 | 6.427879 | 6.690031 | 6.875212 | 6.817631 | 6.401073 | 6.623439 | 6.128636 | 7.028207 | 7.294408 | 6.935314 | 6.805438 | 6.47142 | 6.315619 | 6.631165 | 6.740493 | 6.541488 | 6.633577 | 6.573885 | 6.414524 | 6.49141 | 6.474347 | 6.602128 | 6.427868 | 6.347458 | 6.043612 | 7.047268 | 6.779988 | 6.166519 | 6.631938 | 6.770609 | 6.803562 | 6.446762 | 6.727846 | 6.451067 | 6.614355 | 6.701889 | 6.806482 | 6.384286 | 6.462915 | 6.483368 | 6.76515 | 6.513206 | 6.851829 | 6.056077 | 6.785596 | 6.50635 | 6.591229 | 7.08601 | 6.157451 | 6.881377 | 6.885671 | 6.281624 | 6.673944 | 6.560915 | 6.970998 | 6.45436 | 6.279481 | 6.477317 | 6.415172 | 6.755182 | 7.236175 | 6.390038 | 6.497755 | 7.041232 | 6.803036 | 6.533797 | 6.439825 | 6.661394 | 6.621278 | 6.338418 | 6.501782 | 6.207717 | 6.757292 | 6.713377 | 6.447044 | 6.354909 | 6.684953 | 6.412343 | 6.406541 | 6.337547 | 6.529593 | 6.933408 | 7.166328 | 6.21731 | 6.217312 | 6.342181 | 6.211466 | 6.121225 | 5.917132 | 6.03043 | 6.373982 | 6.538297 | 6.292331 | 6.58771 | 6.842251 | 6.576419 | 6.579138 | 6.316641 | 6.528198 | 6.588945 | 6.37725 | 6.248266 | 6.552938 | 6.410296 | 6.598544 | 6.489506 | 7.021552 | 6.472389 | 6.76061 | 6.362378 | 6.701064 | 6.448585 | 6.820174 | 6.643931 | 6.619022 | 7.150295 | 6.626682 | 6.565236 | 6.484171 | 6.480744 | 6.485204 | 6.754831 | 6.544499 | 6.538698 | 6.599202 | 6.679316 | 6.69606 | 6.604658 | 6.352779 | 6.342443 | 6.278477 | 6.639285 | 6.332391 | 6.984733 | 6.709203 | 6.757568 | 6.415003 | 6.359587 | 6.417699 | 6.921128 | 6.930026 | 6.299705 | 6.404609 | 6.171723 | 6.762716 | 6.474147 | 6.225982 | 6.662268 | 6.675262 | 6.24733 | 7.158532 | 7.102089 | 6.306026 | 6.806508 | 5.969952 | 6.12881 | 6.477243 | 6.725607 | 7.014173 | 6.129681 | 6.603967 | 6.435714 | 6.516998 | 6.502572 | 6.672039 | 6.184299 | 6.625463 | 6.723953 | 6.656478 | 5.501003 | 6.391999 | 6.270249 | 6.519361 | 6.348436 | 6.940046 | 6.540269 | 6.80843 | 6.568388 | 6.579748 | 6.584447 | 6.72693 | 6.654069 | 6.847804 | 6.377272 | 6.746882 | 6.444397 | 6.788763 | 7.023687 | 6.444915 | 6.774722 | 6.485038 | 6.826058 | 6.865923 | 7.003688 | 7.126667 | 5.713812 | 6.785203 | 6.177629 | 6.475131 | 6.195291 | 6.60486 | 6.246574 | 6.71208 | 6.787949 | 6.370095 | 6.522717 | 6.679641 | 6.748537 | 6.709713 | 6.590994 | 6.600666 | 6.817891 | 6.467278 | 6.699006 | 6.617369 | 6.616947 | 6.912092 | 6.662448 | 6.817447 | 6.664732 | 6.900006 | 6.717358 | 6.512265 | 6.71652 | 6.232575 | 6.799993 | 6.672945 | 6.710966 | 6.763228 | 6.536623 | 6.417266 | 6.258261 | 6.697621 | 6.813403 | 6.994239 | 6.306272 | 6.861508 | 6.925731 | 6.644117 | 6.90799 | 6.589051 | 6.995833 | 6.279861 | 6.405489 | 6.521214 | 6.899307 | 6.763966 | 6.326247 | 6.471815 | 6.032246 | 6.548715 | 6.613193 | 6.612205 | 6.50243 | 6.795251 | 6.594088 | 6.311969 | 6.051668 | 6.927885 | 6.729367 | 6.879485 | 6.401501 | 6.963587 | 6.687003 | 6.764094 | 6.773418 | 6.851609 | 6.73765 | 6.413713 | 6.625713 | 6.725807 | 6.419713 | 6.51974 | 6.796802 | 7.000103 | 7.079319 | 6.74456 | 6.799345 | 6.82547 | 6.539605 | 6.805209 | 6.63184 | 6.771518 | 6.367108 | 6.663058 | 6.166226 | 6.751741 | 6.614242 | 6.641799 | 6.288657 | 6.750865 | 6.674868 | 6.116684 | 6.66849 | 6.790356 | 6.795186 | 6.841807 | 7.016988 | 6.832283 | 6.243449 | 6.549465 | 6.81 | 6.416939 | 6.722182 | 7.231534 | 6.490438 | 6.341486 | 6.652572 | 6.55541 | 6.531391 | 6.652034 | 6.568168 | 6.824087 | 6.849151 | 6.553146 | 6.290646 | [C][C][Branch1][C][C][C][=C][C][=C][C][=Branch1][Ring2][=N][Ring1][=Branch1][N][C][=C][C][=N][C][#N] | -0.558233 | Q92630 | O00311 | P21860 | 6.71652 | 7.346783 | 7.294408 |
CCN1CCN(CC1)CC2=CC=C(N=C2)NC=NC=CC=N | 6.695596 | 7.112198 | 7.445908 | 6.75755 | 7.047451 | 6.822466 | 7.080496 | 6.851416 | 7.051813 | 6.9676 | 6.54401 | 7.260146 | 6.513629 | 6.852958 | 6.707909 | 6.446823 | 6.706699 | 6.733099 | 6.745269 | 6.770686 | 6.925576 | 6.459406 | 6.917835 | 7.198859 | 6.85607 | 6.87424 | 7.017242 | 6.886349 | 6.882314 | 6.912756 | 7.199313 | 7.050975 | 6.940611 | 6.887504 | 6.948519 | 7.132296 | 6.96658 | 6.609853 | 6.945863 | 7.103179 | 7.380288 | 7.068817 | 7.50729 | 7.293447 | 6.622512 | 6.473027 | 6.479176 | 7.105006 | 6.725601 | 6.640106 | 6.934025 | 7.379104 | 6.944585 | 7.012654 | 6.892463 | 6.493379 | 7.291984 | 7.185708 | 7.154513 | 6.917434 | 6.902156 | 7.233895 | 6.903709 | 6.83625 | 7.403806 | 7.252318 | 6.736523 | 6.966688 | 6.930261 | 7.095451 | 7.084224 | 6.919682 | 6.801983 | 6.917454 | 6.646639 | 6.633939 | 6.953535 | 6.980323 | 7.175478 | 7.036589 | 6.892522 | 7.102082 | 7.309422 | 7.36758 | 7.203395 | 7.537705 | 6.61212 | 6.56077 | 6.929962 | 6.718255 | 6.919969 | 6.991698 | 6.876531 | 6.724423 | 6.729105 | 6.759565 | 7.176861 | 7.022086 | 6.960869 | 6.844098 | 7.070732 | 7.201993 | 6.920177 | 6.882896 | 6.984756 | 6.935098 | 7.307553 | 7.002345 | 7.040334 | 6.988421 | 6.941797 | 6.931458 | 6.968927 | 7.168183 | 6.855221 | 6.890492 | 6.922112 | 7.02461 | 6.904724 | 7.080634 | 6.7462 | 7.074752 | 7.486992 | 6.921463 | 7.098967 | 7.17046 | 6.916066 | 6.868331 | 7.039712 | 7.247648 | 6.970041 | 6.71547 | 7.17888 | 7.225317 | 6.944232 | 7.047027 | 6.897066 | 6.914155 | 7.081601 | 6.79924 | 6.822079 | 6.708536 | 7.112317 | 7.073898 | 6.754462 | 6.806685 | 7.073917 | 6.866079 | 7.223606 | 6.954234 | 6.691844 | 7.304665 | 6.893648 | 7.189446 | 6.631479 | 6.679085 | 7.006478 | 7.053308 | 6.507586 | 6.689509 | 6.963006 | 6.704467 | 6.837499 | 6.588972 | 6.754491 | 6.924647 | 7.154539 | 6.856209 | 7.115429 | 7.097709 | 6.870671 | 6.885319 | 6.815125 | 6.763572 | 6.677479 | 6.651473 | 6.584975 | 7.003696 | 7.060156 | 7.07228 | 6.924388 | 6.864689 | 6.952774 | 7.007275 | 6.955072 | 6.873006 | 6.541224 | 7.20848 | 6.772338 | 6.554974 | 7.087983 | 6.936793 | 6.893245 | 6.879626 | 6.726179 | 7.141034 | 6.939861 | 6.982848 | 7.107607 | 6.7799 | 7.124124 | 7.094372 | 6.806859 | 6.91499 | 6.810511 | 6.826747 | 6.748457 | 6.59284 | 7.040674 | 6.686887 | 7.307817 | 6.773375 | 6.834057 | 6.891158 | 7.089529 | 6.780609 | 6.920951 | 7.153412 | 6.610193 | 6.761289 | 6.718016 | 7.024503 | 7.266541 | 7.191683 | 7.024736 | 7.11759 | 7.600405 | 6.934221 | 7.127047 | 6.884326 | 6.640415 | 6.963235 | 7.156909 | 7.411463 | 6.428816 | 6.683476 | 6.572651 | 6.920741 | 6.576045 | 7.06029 | 6.660843 | 7.051611 | 6.873453 | 6.955347 | 6.460199 | 7.009894 | 7.090448 | 7.100589 | 6.58081 | 7.256691 | 6.612771 | 7.213767 | 6.929922 | 6.969332 | 7.13054 | 6.703361 | 7.121465 | 7.054002 | 6.829429 | 6.526977 | 6.949857 | 6.953731 | 6.918671 | 6.738132 | 6.872865 | 6.80014 | 7.183337 | 7.019386 | 7.337312 | 7.267869 | 6.547266 | 7.039497 | 6.643802 | 6.681214 | 6.7332 | 6.6062 | 6.62134 | 6.94656 | 7.339828 | 6.981541 | 6.991992 | 7.024023 | 6.714297 | 7.025484 | 6.871288 | 7.128204 | 6.862188 | 7.066071 | 7.063624 | 6.887373 | 6.896052 | 7.042422 | 7.168446 | 7.104172 | 6.98537 | 7.061002 | 7.045245 | 7.000837 | 6.725535 | 6.918409 | 7.097105 | 6.817893 | 6.933455 | 7.195589 | 6.975061 | 6.774287 | 6.867714 | 6.902004 | 7.066308 | 7.015213 | 7.219348 | 7.019028 | 7.140823 | 6.871782 | 7.229658 | 7.177329 | 7.097428 | 7.124813 | 7.098037 | 6.908115 | 7.019423 | 7.231615 | 6.756451 | 6.946971 | 6.853593 | 6.897846 | 6.957511 | 7.006629 | 6.90515 | 7.255987 | 7.064517 | 6.876047 | 6.747104 | 7.089363 | 6.935342 | 7.099732 | 7.33168 | 7.081948 | 7.015059 | 6.83314 | 7.089602 | 6.896885 | 7.109189 | 6.680789 | 7.20367 | 6.922118 | 6.829707 | 6.848329 | 7.080435 | 6.918763 | 7.178549 | 7.107815 | 6.844277 | 6.941529 | 6.689224 | 6.509181 | 6.85897 | 6.970327 | 6.636737 | 7.208488 | 6.690841 | 7.005411 | 6.953374 | 6.901161 | 6.757485 | 6.81017 | 7.154842 | 6.794322 | 6.795467 | 7.213321 | 7.161846 | 6.950241 | 7.103206 | 7.081261 | 6.771978 | 6.907869 | 6.922386 | 7.005122 | 6.849795 | 7.142777 | 6.957524 | 7.145032 | 7.009374 | 7.029584 | 6.771676 | 6.92972 | 6.846561 | 7.167339 | 6.966558 | 6.848967 | 6.905558 | [C][C][N][C][C][N][Branch1][Branch1][C][C][Ring1][=Branch1][C][C][=C][C][=C][Branch1][Branch1][N][=C][Ring1][=Branch1][N][C][=N][C][=C][C][=N] | -0.70384 | Q92630 | Q15303 | P22607 | 6.725535 | 7.600405 | 7.537705 |
CN1CCN(CC1)C2=CC=C(C=C2F)NC3=NC4=C(C=C[NH1]4)C(=N3)OC5=CC=CC(=C5)N | 7.478982 | 7.648821 | 7.908486 | 7.576822 | 7.641453 | 7.573639 | 7.766758 | 7.770988 | 7.647522 | 7.809898 | 7.479367 | 7.459615 | 7.482708 | 7.60967 | 7.626985 | 7.414307 | 7.653331 | 7.43372 | 7.436512 | 7.44144 | 7.593649 | 7.377849 | 7.543833 | 7.90516 | 7.501794 | 7.65017 | 7.644047 | 7.56254 | 7.662515 | 7.530836 | 7.66131 | 7.721863 | 7.601864 | 7.611279 | 7.683926 | 7.796577 | 7.90322 | 7.710591 | 7.605404 | 7.414663 | 7.556601 | 7.799965 | 7.640184 | 7.783901 | 7.212598 | 7.269097 | 7.451455 | 7.408254 | 7.364503 | 7.533499 | 7.463881 | 7.69931 | 7.412191 | 7.635209 | 7.613959 | 7.34522 | 7.759553 | 7.645635 | 7.599034 | 7.535529 | 7.349333 | 7.671032 | 7.702914 | 7.35691 | 7.644748 | 7.640146 | 7.815232 | 7.441277 | 7.678141 | 7.746268 | 7.667516 | 7.54687 | 7.408291 | 7.290502 | 7.419686 | 7.634319 | 7.558387 | 7.670252 | 7.771129 | 7.50188 | 7.498431 | 7.330932 | 7.811596 | 7.82789 | 7.728977 | 7.671498 | 7.645849 | 7.555378 | 7.629203 | 7.561756 | 7.48864 | 7.613264 | 7.692832 | 7.541135 | 7.650497 | 7.709368 | 7.476422 | 7.642657 | 7.665651 | 7.449571 | 7.775938 | 7.782185 | 7.700927 | 7.649608 | 7.811855 | 7.607557 | 7.984015 | 7.491302 | 7.498413 | 7.590796 | 7.62578 | 7.559983 | 7.659069 | 7.405836 | 7.61341 | 7.631819 | 7.596489 | 7.735495 | 7.328594 | 7.67964 | 7.602184 | 7.595195 | 7.606171 | 7.51674 | 7.678398 | 7.609608 | 7.444459 | 7.599242 | 7.689222 | 7.816404 | 7.36186 | 7.2355 | 7.508401 | 7.744205 | 7.746196 | 7.764654 | 7.445856 | 7.524056 | 7.777295 | 7.694013 | 7.579157 | 7.45403 | 7.473949 | 7.534355 | 7.408937 | 7.652602 | 7.627486 | 7.720201 | 7.673309 | 7.577159 | 7.422063 | 7.674687 | 7.668966 | 7.700283 | 7.504613 | 7.433454 | 7.776371 | 7.853682 | 7.476513 | 7.138996 | 7.619361 | 7.678824 | 7.47376 | 7.558982 | 7.518015 | 7.538594 | 7.762978 | 7.557148 | 7.753082 | 7.780624 | 7.680619 | 7.582277 | 7.479741 | 7.440001 | 7.744895 | 7.561122 | 7.512316 | 7.597811 | 7.802701 | 7.542534 | 7.559543 | 7.740632 | 7.684673 | 7.660458 | 7.579015 | 7.580876 | 7.430686 | 7.798316 | 7.608202 | 7.599705 | 7.671927 | 7.518836 | 7.445358 | 7.786227 | 7.677802 | 7.62332 | 7.612568 | 7.411795 | 7.72731 | 7.63914 | 7.619663 | 7.654243 | 7.687522 | 7.373444 | 7.754113 | 7.368404 | 7.377602 | 7.24747 | 7.63745 | 7.503993 | 7.701591 | 7.565575 | 7.567286 | 7.584885 | 7.610363 | 7.700529 | 7.741903 | 7.63672 | 7.365601 | 7.721851 | 7.298602 | 7.686475 | 7.661189 | 7.764539 | 7.613931 | 7.848639 | 7.639217 | 7.657865 | 7.814435 | 7.606762 | 7.39597 | 7.686243 | 7.652099 | 7.90692 | 7.277681 | 7.617295 | 7.347841 | 7.497978 | 7.439363 | 7.761658 | 7.20341 | 7.424944 | 7.595974 | 7.577685 | 7.371257 | 7.70797 | 7.651688 | 7.701732 | 7.519506 | 7.748186 | 7.478321 | 7.792806 | 7.766598 | 7.685858 | 7.830842 | 7.438147 | 7.678495 | 7.637373 | 7.653087 | 7.621686 | 7.663084 | 7.686882 | 7.63683 | 7.602351 | 7.578284 | 7.62073 | 7.682095 | 7.799597 | 7.692956 | 7.757036 | 7.504774 | 7.593472 | 7.320139 | 7.548998 | 7.554987 | 7.44205 | 7.411617 | 7.707958 | 7.684266 | 7.875288 | 7.795455 | 7.46337 | 7.652667 | 7.733421 | 7.572426 | 7.768162 | 7.761091 | 7.53995 | 7.732207 | 7.62012 | 7.706151 | 7.952765 | 7.712232 | 7.79275 | 7.462305 | 7.803275 | 7.638289 | 7.533864 | 7.547452 | 7.434721 | 7.735688 | 7.65772 | 7.849409 | 7.752066 | 7.664936 | 7.440188 | 7.440961 | 7.636711 | 7.604929 | 7.622928 | 7.589355 | 7.849519 | 7.903784 | 7.620742 | 7.832331 | 7.624794 | 7.563424 | 7.751122 | 7.688909 | 7.634061 | 7.717693 | 7.783402 | 7.490435 | 7.710911 | 7.342914 | 7.580864 | 7.466751 | 7.735412 | 7.68303 | 7.800299 | 7.664424 | 7.71464 | 7.402081 | 7.778157 | 7.589798 | 7.634954 | 7.625352 | 7.648101 | 7.512078 | 7.589643 | 7.692827 | 7.64815 | 7.729067 | 7.523762 | 7.644915 | 7.737018 | 7.589908 | 7.54366 | 7.70941 | 7.835077 | 7.967782 | 7.591512 | 7.738815 | 7.742479 | 7.644504 | 7.696488 | 7.515225 | 7.572639 | 7.603686 | 7.655355 | 7.63586 | 7.658375 | 7.498152 | 7.507838 | 7.336358 | 7.656638 | 7.892842 | 7.703067 | 7.460954 | 7.69267 | 7.70297 | 7.61377 | 7.658536 | 7.714734 | 7.412246 | 7.642735 | 7.857618 | 7.634871 | 7.67665 | 7.895485 | 7.632938 | 7.546693 | 7.510948 | 7.49918 | 7.496029 | 7.718073 | 7.695395 | 7.887049 | 7.672298 | 7.721571 | 7.657069 | [C][N][C][C][N][Branch1][Branch1][C][C][Ring1][=Branch1][C][=C][C][=C][Branch1][=Branch1][C][=C][Ring1][=Branch1][F][N][C][=N][C][=C][Branch1][=Branch1][C][=C][NH1][Ring1][Branch1][C][=Branch1][Ring2][=N][Ring1][=Branch2][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N] | -0.410791 | Q92630 | P33981 | Q9NRP7 | 7.547452 | 7.984015 | 7.967782 |
CC(C)C1=CC(=NO1)NC(=O)NC2=CC=CC(=C2)OC=C3C=CC=CC3 | 6.344498 | 6.321756 | 6.576668 | 6.308395 | 6.767176 | 6.53782 | 6.502995 | 6.799428 | 6.303904 | 6.643956 | 6.478127 | 6.206263 | 6.390316 | 6.44991 | 6.402513 | 6.339538 | 6.376575 | 6.344013 | 6.444065 | 6.280912 | 6.331979 | 6.242063 | 6.379935 | 6.413653 | 6.316966 | 6.533616 | 6.807184 | 6.464379 | 6.599089 | 6.289748 | 6.463294 | 6.351123 | 6.310374 | 6.2623 | 6.682435 | 6.900801 | 6.388412 | 6.509576 | 6.338949 | 6.274899 | 6.577267 | 6.50071 | 6.743905 | 7.172353 | 6.411331 | 6.445473 | 6.615391 | 6.382579 | 6.364214 | 6.377674 | 6.736878 | 6.957717 | 6.438149 | 6.661539 | 6.465771 | 6.775311 | 6.855033 | 6.584374 | 6.92493 | 6.162711 | 6.452494 | 6.399044 | 6.300023 | 6.444893 | 6.370211 | 6.679028 | 6.7958 | 6.370276 | 6.959433 | 6.46135 | 6.2754 | 6.463735 | 6.277411 | 6.67292 | 6.449286 | 6.280946 | 6.364951 | 6.552176 | 6.256382 | 6.33301 | 6.356015 | 6.102084 | 6.727119 | 6.875404 | 6.829566 | 6.879926 | 6.274467 | 6.261676 | 6.497556 | 6.364735 | 6.364339 | 6.380078 | 6.388933 | 6.282959 | 6.443034 | 6.346465 | 6.444639 | 6.223057 | 6.496729 | 6.128062 | 7.04756 | 6.447987 | 6.81426 | 6.585338 | 6.697787 | 6.548753 | 6.512271 | 6.304669 | 6.376908 | 6.314958 | 6.46373 | 6.668066 | 6.623345 | 6.608775 | 6.256652 | 6.272604 | 6.261813 | 6.524836 | 6.046596 | 6.953392 | 6.426471 | 6.312024 | 6.669894 | 6.626411 | 6.896924 | 6.400383 | 6.58641 | 6.583008 | 6.599908 | 6.550102 | 6.183122 | 6.269504 | 6.305198 | 6.446484 | 6.736489 | 6.691442 | 6.243649 | 6.345686 | 6.711473 | 6.342867 | 6.242788 | 6.257306 | 6.310289 | 6.448435 | 6.238707 | 6.302277 | 6.667015 | 6.314834 | 6.533921 | 6.388569 | 6.319906 | 6.304367 | 6.706291 | 6.330835 | 6.520491 | 6.36057 | 6.733215 | 6.734429 | 6.337459 | 6.212839 | 6.374398 | 6.328195 | 6.191987 | 6.14914 | 6.122649 | 6.353452 | 6.525796 | 6.43959 | 6.249852 | 6.549818 | 6.87191 | 6.451186 | 6.355514 | 6.232997 | 6.357116 | 6.256919 | 6.27413 | 6.354512 | 6.597949 | 6.68609 | 6.275703 | 6.776778 | 6.73975 | 6.567681 | 6.470752 | 6.280519 | 6.532787 | 6.759608 | 6.954208 | 6.276526 | 6.719034 | 6.471548 | 6.777207 | 6.47649 | 6.600156 | 6.41259 | 6.946897 | 6.433095 | 6.472162 | 6.565104 | 6.690108 | 6.314315 | 6.630399 | 6.346441 | 6.983767 | 6.341386 | 6.738679 | 6.289701 | 6.782202 | 6.171947 | 6.646166 | 6.50751 | 6.428497 | 6.451133 | 6.285336 | 6.513017 | 6.416238 | 6.301452 | 6.426749 | 6.498016 | 6.452082 | 6.284432 | 6.624803 | 6.22822 | 6.335413 | 6.512715 | 6.618073 | 6.239792 | 6.761787 | 6.213569 | 6.3123 | 6.538235 | 6.265204 | 7.079307 | 6.385444 | 6.523766 | 6.31472 | 6.52353 | 6.469495 | 6.759286 | 6.103716 | 6.270341 | 6.366476 | 6.457328 | 6.220169 | 6.481594 | 6.626305 | 6.65643 | 6.339396 | 6.898988 | 6.336843 | 6.568248 | 6.41632 | 6.446043 | 6.499401 | 6.370176 | 6.342014 | 6.708982 | 6.320895 | 6.500257 | 6.333214 | 6.806425 | 6.386654 | 6.387565 | 6.605869 | 6.405336 | 6.601132 | 6.900463 | 6.661809 | 6.660668 | 6.384045 | 6.31211 | 6.48287 | 6.530722 | 6.246232 | 6.279799 | 6.138062 | 6.464453 | 6.760443 | 6.424691 | 6.892327 | 6.293028 | 6.714286 | 6.722173 | 6.265132 | 6.257068 | 6.85254 | 6.292314 | 6.31976 | 6.425905 | 6.483696 | 6.688974 | 6.280036 | 6.473073 | 6.446543 | 6.814729 | 6.756886 | 6.280996 | 6.254364 | 6.328506 | 6.589872 | 6.272022 | 6.756121 | 6.367843 | 6.280256 | 6.553567 | 6.411604 | 6.351428 | 6.291416 | 6.773345 | 6.21878 | 6.694231 | 6.968646 | 6.41397 | 6.677409 | 6.298214 | 6.185243 | 6.557169 | 6.548508 | 6.393412 | 6.63638 | 6.47912 | 6.266163 | 6.458803 | 6.420758 | 6.303452 | 6.361185 | 6.610707 | 6.380609 | 6.254136 | 6.35091 | 6.378239 | 6.37022 | 6.673317 | 6.516041 | 6.286269 | 6.637151 | 6.303 | 6.374157 | 6.455397 | 6.82922 | 6.376106 | 6.316218 | 6.28463 | 6.276049 | 6.920931 | 6.498906 | 6.310009 | 6.476328 | 6.554327 | 6.717444 | 6.418455 | 6.580418 | 6.638199 | 6.382339 | 6.498468 | 6.273104 | 6.63453 | 6.336249 | 6.384539 | 6.366954 | 6.586243 | 6.354594 | 6.410607 | 6.166846 | 6.405862 | 6.397911 | 6.240483 | 6.295509 | 6.775092 | 6.668943 | 6.616987 | 6.831753 | 6.528969 | 6.302357 | 6.268099 | 6.961774 | 6.387101 | 6.620793 | 6.489812 | 6.255271 | 6.450718 | 6.355885 | 6.293836 | 6.547442 | 6.637168 | 6.483229 | 6.671156 | 6.647504 | 6.919121 | 6.342772 | [C][C][Branch1][C][C][C][=C][C][=Branch1][Branch1][=N][O][Ring1][Branch1][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][=C][C][=C][C][=C][C][Ring1][=Branch1] | -0.724945 | Q92630 | P04629 | Q16288 | 6.254364 | 7.172353 | 7.079307 |
CCN1CCN(CC1)CC2=CC=C(N=C2)NC | 5.337654 | 4.735217 | 5.934314 | 5.961371 | 5.646055 | 4.846419 | 5.975809 | 5.475301 | 5.109606 | 5.525917 | 5.082169 | 5.055181 | 4.807724 | 5.41866 | 4.732905 | 4.921273 | 4.943876 | 5.209284 | 5.095744 | 4.873941 | 4.725336 | 4.766531 | 6.033042 | 5.228875 | 5.682485 | 5.449681 | 5.59185 | 4.895673 | 4.954231 | 5.862621 | 6.102356 | 4.96489 | 4.72417 | 4.831351 | 5.903922 | 5.468902 | 5.059197 | 4.732642 | 5.265234 | 5.483585 | 5.398604 | 4.584892 | 5.109692 | 6.096945 | 4.862311 | 4.925919 | 4.796799 | 4.980059 | 4.953968 | 4.667189 | 5.249652 | 6.273127 | 4.951774 | 5.069164 | 5.586581 | 5.187592 | 5.105265 | 4.843692 | 5.109077 | 5.910687 | 5.066406 | 5.304724 | 4.511383 | 6.060099 | 5.764484 | 6.143866 | 4.797895 | 4.86313 | 4.614089 | 4.625212 | 5.815992 | 4.82452 | 6.052858 | 5.232397 | 5.070579 | 4.48459 | 6.213351 | 4.890341 | 5.384853 | 5.373709 | 4.95932 | 4.680032 | 6.136172 | 6.030471 | 5.948779 | 5.914101 | 4.265033 | 4.521362 | 4.768718 | 5.998802 | 4.804335 | 5.316737 | 4.757894 | 4.595898 | 5.911182 | 4.530247 | 4.819945 | 4.573825 | 4.661244 | 4.512218 | 5.894686 | 5.094983 | 4.962025 | 4.578658 | 4.778409 | 4.923959 | 4.624065 | 4.907995 | 5.002501 | 5.347419 | 6.079078 | 6.061729 | 5.135401 | 6.261292 | 4.758558 | 4.772944 | 4.582748 | 4.705783 | 4.708167 | 5.173055 | 4.729434 | 4.934325 | 5.209026 | 5.000178 | 5.344419 | 6.004412 | 5.080741 | 4.885931 | 4.887927 | 5.830139 | 4.678525 | 4.922617 | 5.981027 | 5.337518 | 4.59752 | 4.81275 | 4.851857 | 5.106215 | 4.844729 | 5.380909 | 4.633255 | 4.640912 | 4.915778 | 5.055805 | 5.03922 | 4.82602 | 4.828701 | 4.90915 | 5.038453 | 4.861095 | 4.752217 | 6.145226 | 5.301538 | 5.248103 | 4.410218 | 5.365654 | 5.923231 | 5.959271 | 4.802017 | 4.589669 | 5.966599 | 4.601431 | 4.442672 | 4.470206 | 4.438855 | 4.668418 | 6.08912 | 4.891257 | 5.157421 | 5.534247 | 4.917386 | 5.321558 | 4.893588 | 4.931547 | 4.548065 | 4.968249 | 4.64085 | 5.464624 | 5.104439 | 5.187323 | 5.6502 | 5.080235 | 4.832779 | 5.609032 | 4.790275 | 4.425334 | 4.955958 | 4.95177 | 4.75798 | 4.590879 | 5.767866 | 5.490194 | 5.382578 | 4.904052 | 5.49652 | 5.753356 | 5.049877 | 6.250373 | 5.862529 | 4.845864 | 5.261917 | 4.771277 | 5.051225 | 5.968083 | 4.791605 | 5.220163 | 4.983853 | 5.262399 | 5.853273 | 4.769641 | 5.938442 | 4.918387 | 5.289379 | 5.305329 | 5.11567 | 4.810971 | 4.586257 | 5.110429 | 5.125135 | 4.734448 | 4.885606 | 5.031911 | 4.879223 | 5.970573 | 4.725979 | 5.686264 | 5.158299 | 4.52308 | 5.16291 | 5.834688 | 4.958542 | 5.741302 | 5.274885 | 6.139934 | 4.591362 | 5.468639 | 4.732292 | 5.144236 | 5.289312 | 5.612737 | 4.701422 | 5.335666 | 5.134142 | 5.511991 | 4.706117 | 5.849452 | 5.632198 | 5.422136 | 4.945719 | 5.628846 | 5.197918 | 5.001595 | 4.818058 | 5.13903 | 4.85674 | 5.035712 | 5.969408 | 5.30639 | 5.36746 | 5.646357 | 4.638773 | 5.625867 | 5.180379 | 5.864434 | 4.938648 | 5.292085 | 4.839574 | 5.134902 | 5.895801 | 6.024537 | 4.994612 | 5.228691 | 4.939384 | 5.498436 | 4.692356 | 4.815621 | 5.023212 | 5.95049 | 5.697137 | 4.909308 | 5.553366 | 5.486792 | 5.892646 | 4.799942 | 5.120345 | 5.172258 | 5.553611 | 6.117401 | 5.931064 | 4.897221 | 5.949374 | 5.288366 | 5.180769 | 5.126181 | 5.149046 | 5.12833 | 5.944072 | 6.011082 | 5.051956 | 4.998015 | 6.060909 | 5.677906 | 5.90951 | 4.995666 | 6.083751 | 5.315043 | 4.954782 | 5.092213 | 5.944675 | 5.135166 | 5.735449 | 5.946264 | 5.352316 | 4.89349 | 5.591022 | 5.464849 | 5.149171 | 4.944531 | 5.530066 | 4.950199 | 5.326646 | 5.660562 | 4.716375 | 5.351967 | 5.133585 | 5.040231 | 5.271626 | 5.144023 | 5.18106 | 5.684091 | 5.918091 | 6.047115 | 5.172094 | 6.013521 | 5.131004 | 5.193263 | 5.21644 | 5.132264 | 5.394139 | 4.774959 | 5.646016 | 5.85178 | 5.946722 | 5.286494 | 4.983044 | 4.858401 | 5.446734 | 4.861279 | 4.747324 | 5.527052 | 5.746354 | 5.814198 | 5.274637 | 5.265095 | 5.409884 | 4.760468 | 5.961241 | 5.937455 | 5.779665 | 5.446641 | 5.098681 | 5.280714 | 4.80395 | 4.847046 | 6.03106 | 5.568992 | 4.466805 | 5.023158 | 4.908986 | 5.810276 | 4.816382 | 5.003428 | 5.877582 | 5.597949 | 4.767292 | 4.791426 | 5.98074 | 5.506423 | 4.735459 | 5.78305 | 6.119298 | 5.756484 | 5.397018 | 5.611429 | 5.550696 | 4.751793 | 4.995469 | 5.824093 | 5.594795 | 4.865019 | 4.676996 | [C][C][N][C][C][N][Branch1][Branch1][C][C][Ring1][=Branch1][C][C][=C][C][=C][Branch1][Branch1][N][=C][Ring1][=Branch1][N][C] | -0.839999 | Q92630 | P07333 | P36888 | 5.051956 | 6.273127 | 6.261292 |
CN(C)C/C=C/C(=O)NC1=CC2=C(C=C1O[C@H1]3CCOC3)N=CN=C2 | 7.040278 | 7.41242 | 8.052301 | 6.959476 | 7.315701 | 7.317889 | 7.206299 | 7.207898 | 7.467816 | 6.607492 | 7.147324 | 7.473212 | 6.693944 | 7.507323 | 7.111768 | 6.804022 | 7.078998 | 7.253702 | 6.966141 | 7.08132 | 7.375364 | 7.176509 | 7.150352 | 7.535395 | 7.041677 | 7.130936 | 7.200055 | 7.281818 | 6.881326 | 7.324752 | 7.148824 | 7.187434 | 7.206174 | 7.193781 | 7.259168 | 7.393616 | 7.282379 | 6.919767 | 7.332255 | 7.086677 | 7.42901 | 7.296765 | 7.231955 | 7.884505 | 6.599123 | 6.564925 | 6.773528 | 7.075497 | 6.86118 | 7.224423 | 7.205903 | 7.469947 | 6.990647 | 7.271969 | 7.392835 | 6.770488 | 7.435206 | 7.384295 | 7.553002 | 6.93557 | 7.033617 | 7.407642 | 7.267685 | 7.027328 | 7.59092 | 7.151118 | 7.360846 | 6.978793 | 7.327637 | 7.399199 | 7.385056 | 7.086438 | 7.049372 | 7.009396 | 6.762211 | 6.535111 | 7.053079 | 7.43588 | 7.522287 | 7.328141 | 7.249094 | 7.020315 | 7.06217 | 7.541705 | 7.074678 | 7.558152 | 6.858836 | 6.286578 | 7.639456 | 6.807401 | 6.906029 | 7.440696 | 7.311096 | 7.310019 | 6.838722 | 7.491903 | 7.267165 | 7.313738 | 7.295984 | 6.855444 | 7.467958 | 7.543834 | 7.338542 | 6.77451 | 7.059775 | 7.451499 | 7.710191 | 7.242081 | 7.248212 | 7.440108 | 7.0796 | 7.180384 | 7.077594 | 7.140041 | 7.262295 | 7.288381 | 7.09011 | 7.379387 | 6.94688 | 7.11212 | 7.033249 | 6.964322 | 7.495636 | 7.220922 | 7.515411 | 7.259257 | 7.00379 | 7.491665 | 7.323278 | 7.542459 | 7.349133 | 6.877844 | 7.338282 | 7.320898 | 7.385065 | 7.39254 | 7.171264 | 7.259366 | 7.410782 | 7.464176 | 7.367205 | 7.207876 | 7.833836 | 7.766317 | 6.812984 | 6.874941 | 7.315848 | 7.467225 | 7.465176 | 7.229041 | 7.096859 | 7.524877 | 7.305713 | 7.264677 | 6.722196 | 7.103727 | 7.080276 | 7.447553 | 6.875956 | 6.896533 | 7.315771 | 6.974707 | 7.009075 | 6.769664 | 6.721853 | 6.976916 | 7.378841 | 7.099024 | 7.319713 | 7.627226 | 7.382826 | 7.265336 | 6.9802 | 7.142182 | 7.28296 | 6.919832 | 7.029152 | 6.782969 | 7.190219 | 7.470866 | 7.297624 | 7.008072 | 7.475608 | 7.260999 | 7.016998 | 7.036442 | 6.730649 | 7.654155 | 6.907872 | 7.08009 | 7.502032 | 7.203328 | 7.05198 | 7.496022 | 7.102637 | 7.333553 | 7.028529 | 7.049876 | 7.466384 | 6.812542 | 7.138969 | 7.220689 | 6.881756 | 6.968502 | 6.702693 | 7.093286 | 6.949888 | 6.648861 | 7.137082 | 7.133201 | 7.342062 | 7.131893 | 7.184493 | 7.274713 | 7.696767 | 7.290372 | 7.373084 | 7.202349 | 7.086411 | 7.44225 | 7.026278 | 7.421596 | 7.236691 | 7.317652 | 7.179219 | 7.482948 | 7.281421 | 7.133841 | 7.814122 | 7.138283 | 7.093777 | 7.242561 | 7.205816 | 7.858575 | 6.764379 | 6.870904 | 6.731866 | 7.209426 | 7.087165 | 7.433671 | 6.894296 | 7.086977 | 6.939675 | 7.284294 | 6.781132 | 7.085968 | 6.925992 | 7.4914 | 7.36795 | 7.434233 | 7.291224 | 7.351958 | 7.561786 | 7.509237 | 7.330408 | 6.907743 | 7.621101 | 7.020817 | 7.051364 | 6.783621 | 7.541471 | 7.174928 | 7.110646 | 6.863366 | 7.196602 | 7.091158 | 7.298754 | 7.367818 | 7.649936 | 7.473113 | 6.56764 | 7.538623 | 7.152332 | 6.91711 | 6.972571 | 6.955846 | 7.013947 | 7.140585 | 7.327231 | 7.386459 | 7.234551 | 7.135662 | 7.009678 | 7.368772 | 7.273793 | 7.334389 | 7.512407 | 7.011551 | 7.160499 | 7.521056 | 7.025994 | 7.43466 | 7.602886 | 7.389267 | 6.959042 | 7.448468 | 7.273973 | 6.993497 | 7.317128 | 7.138733 | 7.404234 | 7.25735 | 7.194012 | 7.724371 | 7.04381 | 6.987969 | 7.004748 | 7.37016 | 7.437275 | 7.13567 | 7.254966 | 7.303326 | 7.834352 | 7.335982 | 7.523996 | 7.056993 | 7.318457 | 7.292695 | 7.365085 | 7.277308 | 7.515713 | 7.579371 | 7.204363 | 7.303044 | 6.894472 | 7.059456 | 7.29052 | 7.357058 | 6.97403 | 7.755814 | 7.309779 | 7.071059 | 6.896395 | 7.096753 | 7.299305 | 7.620321 | 7.251433 | 7.628812 | 7.385198 | 7.295125 | 7.263479 | 7.522121 | 7.588002 | 7.151734 | 7.556736 | 7.404377 | 7.119761 | 7.478498 | 7.277288 | 7.1285 | 7.285891 | 7.518426 | 7.36448 | 7.299857 | 7.013447 | 7.08527 | 7.21229 | 7.430464 | 6.838227 | 7.261906 | 7.003205 | 7.269653 | 6.880224 | 7.365489 | 6.861166 | 7.211819 | 7.387491 | 7.316423 | 7.407424 | 7.49011 | 7.272944 | 7.503411 | 7.614489 | 7.620296 | 7.290533 | 7.43202 | 7.023504 | 7.384631 | 6.810837 | 7.550887 | 6.896879 | 6.970174 | 7.291535 | 7.480632 | 6.886574 | 7.280256 | 7.480423 | 7.167162 | 7.262371 | 7.457077 | 7.105032 | [C][N][Branch1][C][C][C][/C][=C][/C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=N][C][=C][Ring1][=Branch1][O][C@H1][C][C][O][C][Ring1][Branch1][N][=C][N][=C][Ring1][=C] | -0.62622 | Q92630 | O00311 | P04629 | 7.317128 | 8.052301 | 7.884505 |
CN(C)C/C=C/C(=O)NC1=CC2=C(C=C1O[C@H1]3CCOC3)N=CN=C2NC=CC=CC#C | 7.907891 | 7.8219 | 7.956004 | 7.916041 | 7.98078 | 7.876743 | 7.810934 | 7.98887 | 7.885175 | 7.851523 | 7.774907 | 7.931328 | 7.801678 | 8.012715 | 7.924282 | 7.617818 | 7.899292 | 7.793406 | 7.885993 | 7.858916 | 7.856618 | 7.787194 | 8.04721 | 8.006199 | 7.81113 | 7.76784 | 7.864861 | 7.795721 | 7.846867 | 7.858605 | 7.827209 | 7.851063 | 7.756032 | 7.893067 | 7.855375 | 7.891882 | 7.966814 | 7.79085 | 7.908848 | 8.085163 | 7.954196 | 8.021563 | 8.078573 | 7.950722 | 7.663662 | 7.807842 | 7.976053 | 7.777715 | 7.918891 | 7.663014 | 7.896593 | 7.922681 | 7.884488 | 7.807494 | 7.922045 | 7.993901 | 7.98987 | 7.945598 | 7.994352 | 7.695603 | 7.846478 | 7.854999 | 8.022365 | 7.686301 | 7.969354 | 8.095387 | 7.997884 | 7.951936 | 8.005693 | 7.950299 | 7.991229 | 7.983342 | 7.661327 | 7.777909 | 7.767881 | 7.811566 | 7.889802 | 7.973224 | 7.841983 | 7.828934 | 7.876413 | 7.853543 | 8.072956 | 7.982348 | 7.994885 | 8.138842 | 7.850844 | 7.770368 | 7.896665 | 7.805484 | 7.669085 | 7.798934 | 7.909076 | 7.817839 | 7.903028 | 7.960042 | 7.923094 | 7.925444 | 8.020093 | 7.939828 | 7.860691 | 7.844783 | 7.814384 | 7.975061 | 8.151528 | 7.780437 | 8.014002 | 7.8458 | 7.839297 | 7.786355 | 7.954698 | 7.952671 | 7.912266 | 7.788079 | 7.770762 | 7.824732 | 7.833572 | 7.802173 | 7.836915 | 7.912713 | 7.968478 | 8.02644 | 8.020265 | 7.873047 | 8.009012 | 8.063659 | 7.803407 | 7.842635 | 8.000072 | 7.764383 | 7.711501 | 7.507653 | 7.804025 | 7.777865 | 7.765273 | 7.981063 | 7.903492 | 7.718408 | 7.927879 | 7.907289 | 7.855726 | 7.781754 | 7.850956 | 7.848896 | 7.714873 | 7.806363 | 7.831671 | 7.810067 | 7.894172 | 8.006976 | 7.634775 | 7.93663 | 7.843568 | 7.747591 | 8.040996 | 7.703121 | 7.788801 | 7.834215 | 7.785185 | 7.626684 | 7.825457 | 7.991304 | 7.813653 | 7.899576 | 7.965814 | 7.845613 | 7.937411 | 7.903336 | 7.828438 | 7.732838 | 7.777794 | 8.003983 | 7.700176 | 7.870883 | 7.900157 | 7.612296 | 7.642574 | 8.029768 | 7.906483 | 7.899569 | 7.912746 | 7.939832 | 7.761627 | 7.886452 | 7.797385 | 8.026217 | 7.88299 | 7.993635 | 7.926709 | 7.78212 | 7.974669 | 7.894248 | 7.709854 | 8.0851 | 7.782195 | 7.780457 | 7.867508 | 7.684732 | 7.920851 | 7.811397 | 7.960407 | 7.815406 | 7.744455 | 7.688112 | 7.827577 | 7.822735 | 7.88833 | 7.750851 | 7.838439 | 7.655687 | 7.82667 | 7.788326 | 7.805221 | 7.755684 | 7.825566 | 8.015802 | 7.987505 | 7.91412 | 7.83914 | 8.00436 | 7.980499 | 7.885823 | 7.907202 | 7.827097 | 7.831683 | 7.952916 | 8.080345 | 7.916836 | 7.895014 | 7.946077 | 7.563215 | 7.819707 | 7.945548 | 7.937764 | 7.900266 | 7.902888 | 7.753298 | 7.784353 | 7.980563 | 7.80083 | 7.73589 | 7.799706 | 7.829135 | 7.889856 | 7.790351 | 7.67741 | 7.683279 | 8.083458 | 7.870106 | 7.897782 | 7.884479 | 7.866898 | 8.056766 | 8.057924 | 7.930622 | 7.883056 | 7.901416 | 7.941402 | 7.904192 | 7.838295 | 7.935579 | 7.839964 | 7.834404 | 7.895181 | 7.865782 | 7.840739 | 8.00358 | 7.960931 | 7.874148 | 8.021125 | 7.847111 | 7.675472 | 7.987911 | 7.79569 | 7.740583 | 7.933591 | 7.662565 | 8.063964 | 7.946903 | 7.853573 | 7.9246 | 7.855097 | 7.803118 | 7.748771 | 7.621956 | 7.825889 | 7.81481 | 7.775449 | 7.929292 | 7.945999 | 8.064809 | 7.878799 | 7.935962 | 7.815611 | 7.715215 | 7.953977 | 7.763366 | 7.919394 | 7.76234 | 7.789428 | 7.8134 | 7.97118 | 8.119007 | 7.872879 | 7.897546 | 7.89911 | 7.832518 | 7.946053 | 7.974025 | 8.040315 | 7.852503 | 7.985116 | 7.941909 | 7.755733 | 8.020368 | 7.977716 | 7.912444 | 7.878237 | 7.741191 | 7.841212 | 7.916157 | 7.990701 | 7.709429 | 8.04619 | 7.730156 | 7.897982 | 7.883098 | 7.848083 | 7.782749 | 7.961975 | 8.019125 | 7.9127 | 7.880106 | 7.757057 | 7.787844 | 7.722245 | 7.735812 | 7.752843 | 7.860317 | 7.839694 | 7.820728 | 7.92651 | 8.056631 | 7.931292 | 7.957463 | 7.808763 | 7.813293 | 7.61371 | 8.002034 | 7.959579 | 8.067714 | 7.987233 | 8.037567 | 7.91265 | 7.740688 | 7.962844 | 7.957857 | 8.032804 | 7.901329 | 7.757236 | 7.745459 | 7.922874 | 7.932672 | 7.792551 | 7.910404 | 7.907162 | 8.009554 | 7.826771 | 7.87504 | 7.936606 | 8.001574 | 7.846289 | 7.856759 | 7.73709 | 7.767358 | 7.832365 | 8.003054 | 7.794363 | 7.963414 | 7.923251 | 7.901644 | 7.749824 | 7.812168 | 7.684859 | 7.759742 | 7.969393 | 8.036966 | 7.817813 | 7.98644 | 7.772941 | 7.932173 | [C][N][Branch1][C][C][C][/C][=C][/C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=N][C][=C][Ring1][=Branch1][O][C@H1][C][C][O][C][Ring1][Branch1][N][=C][N][=C][Ring1][=C][N][C][=C][C][=C][C][#C] | -0.37066 | Q92630 | P31751 | P22607 | 7.76234 | 8.151528 | 8.138842 |
CC(C)C1=CC=CC(=N1)NC2=CC=NC(=N2)NC3=CC=CC=C3 | 6.745387 | 6.774024 | 7.43947 | 6.910996 | 6.900842 | 6.801328 | 6.849486 | 6.996119 | 7.169991 | 6.946404 | 6.762263 | 6.876482 | 6.67391 | 6.967481 | 6.911841 | 6.781664 | 6.945833 | 6.837849 | 6.587145 | 6.481937 | 6.975564 | 6.706125 | 6.764069 | 7.112238 | 6.759045 | 7.058019 | 6.944607 | 6.839077 | 6.627008 | 6.99532 | 6.954661 | 6.971194 | 7.237875 | 6.894984 | 6.724785 | 6.904415 | 7.098678 | 6.77238 | 6.981083 | 6.758698 | 7.003006 | 6.930753 | 6.939456 | 7.249381 | 6.394829 | 6.415083 | 6.867504 | 6.91705 | 6.811947 | 7.042071 | 6.927336 | 7.083545 | 6.921381 | 6.909853 | 6.871731 | 6.718297 | 7.211538 | 6.904133 | 7.192527 | 7.034309 | 6.847668 | 7.137026 | 6.88038 | 6.857887 | 6.95843 | 7.0302 | 7.261887 | 6.863573 | 7.165981 | 7.143198 | 7.111144 | 6.90684 | 7.029427 | 6.795724 | 6.587932 | 7.009579 | 7.119464 | 7.222943 | 7.275 | 6.9924 | 7.088787 | 6.51 | 7.057592 | 7.025338 | 7.171771 | 7.001011 | 7.028642 | 6.90462 | 6.904946 | 6.908511 | 7.034232 | 7.079055 | 6.760868 | 7.028494 | 6.805412 | 7.057158 | 6.618716 | 6.680505 | 6.515229 | 6.584119 | 7.30382 | 7.256699 | 6.828842 | 6.749213 | 6.868262 | 6.912411 | 6.973762 | 6.912923 | 6.909013 | 7.105332 | 7.102906 | 7.009116 | 6.755917 | 7.10116 | 6.576457 | 6.758974 | 6.556158 | 6.939797 | 6.492739 | 7.216236 | 6.940337 | 6.801734 | 7.093122 | 6.59154 | 6.920255 | 6.897011 | 6.785861 | 6.991029 | 7.029009 | 7.106595 | 6.889922 | 6.778021 | 6.739024 | 6.909584 | 7.038818 | 7.134317 | 6.800945 | 7.363365 | 7.116641 | 7.160819 | 6.814584 | 6.730174 | 7.03293 | 7.05549 | 6.749848 | 7.146676 | 6.914958 | 7.275143 | 7.038849 | 6.843923 | 7.008742 | 6.963564 | 7.188741 | 6.905567 | 6.582813 | 6.6867 | 6.844686 | 7.079589 | 6.80012 | 6.572769 | 6.819517 | 6.551193 | 6.483597 | 6.470766 | 6.554736 | 6.615895 | 6.976485 | 6.609756 | 7.309294 | 7.186236 | 6.979544 | 6.910542 | 7.041882 | 7.022964 | 7.05222 | 6.938115 | 7.030778 | 6.913642 | 6.724298 | 6.936244 | 7.041069 | 7.110256 | 6.797367 | 7.142005 | 6.695597 | 6.73847 | 6.728664 | 7.16296 | 7.110311 | 7.10941 | 7.025492 | 6.939113 | 6.722917 | 6.800078 | 6.889948 | 6.856871 | 6.899812 | 6.764812 | 6.897514 | 6.632931 | 6.948137 | 7.088775 | 6.599636 | 6.711658 | 6.740383 | 6.803065 | 6.503596 | 6.521054 | 6.952813 | 6.944827 | 7.103849 | 6.781012 | 6.776993 | 6.871363 | 7.147869 | 6.887853 | 6.68478 | 6.858122 | 6.642731 | 7.292983 | 6.596024 | 6.959451 | 6.929873 | 7.18761 | 6.822553 | 7.055148 | 6.847126 | 6.596557 | 7.237065 | 6.906875 | 6.660598 | 6.924657 | 6.96785 | 7.363021 | 6.509294 | 6.799557 | 6.830998 | 6.908288 | 6.81572 | 7.138431 | 6.610451 | 6.798774 | 7.003057 | 6.888528 | 6.43947 | 6.849508 | 6.868805 | 6.993519 | 6.899707 | 7.225007 | 6.984547 | 7.104229 | 6.564044 | 6.853716 | 6.993633 | 6.773136 | 7.058485 | 7.090807 | 6.94631 | 6.760773 | 6.763057 | 6.962728 | 7.139495 | 6.800931 | 6.782014 | 7.044864 | 6.871123 | 6.96979 | 7.004278 | 7.146594 | 6.472512 | 7.294204 | 6.446692 | 6.71863 | 6.815665 | 6.951106 | 6.894482 | 6.719087 | 7.026263 | 7.319793 | 6.822503 | 6.806687 | 6.778154 | 6.915565 | 7.23205 | 7.320024 | 6.988988 | 7.174664 | 7.127862 | 7.013681 | 6.764834 | 7.23323 | 7.053584 | 7.190339 | 6.654002 | 7.101912 | 6.823979 | 7.008744 | 6.978027 | 6.998191 | 7.220001 | 6.921802 | 7.083495 | 7.163351 | 6.913477 | 6.626438 | 6.413428 | 6.986306 | 6.984641 | 7.02513 | 6.92122 | 7.101212 | 7.241384 | 7.049302 | 6.994991 | 6.802922 | 6.964981 | 7.03771 | 7.058811 | 6.948354 | 7.234421 | 7.027668 | 7.30061 | 7.061874 | 6.427917 | 7.021459 | 6.787557 | 6.623693 | 7.044271 | 7.18889 | 6.945831 | 6.72775 | 6.56364 | 7.072313 | 6.808011 | 7.320424 | 6.852073 | 7.331692 | 6.850267 | 7.004262 | 7.118045 | 7.105069 | 7.212618 | 6.797978 | 7.02064 | 6.965363 | 6.689999 | 6.987357 | 7.039722 | 7.068192 | 7.370712 | 7.041616 | 6.916394 | 7.017891 | 7.002289 | 7.213125 | 7.013454 | 7.184817 | 6.77546 | 7.000016 | 6.712507 | 6.879898 | 6.949646 | 6.731275 | 6.675176 | 6.776555 | 6.90604 | 7.043573 | 6.840878 | 6.967557 | 6.832391 | 6.919123 | 7.250455 | 7.136338 | 6.953117 | 7.090669 | 7.084671 | 6.995505 | 6.835114 | 7.131888 | 6.886952 | 6.894815 | 6.790884 | 7.001328 | 6.669847 | 6.989604 | 6.670399 | 6.970104 | 6.827674 | 6.957914 | 6.641658 | [C][C][Branch1][C][C][C][=C][C][=C][C][=Branch1][Ring2][=N][Ring1][=Branch1][N][C][=C][C][=N][C][=Branch1][Ring2][=N][Ring1][=Branch1][N][C][=C][C][=C][C][=C][Ring1][=Branch1] | -0.43126 | Q92630 | O00311 | Q9NRP7 | 6.978027 | 7.43947 | 7.370712 |
CN1CCN(CC1)C2=CC=C(C=C2F)NC3=NC4=C(C=C[NH1]4)C(=N3)OC=CC=CC=C | 7.216739 | 7.585911 | 7.811426 | 7.221336 | 7.617883 | 7.48797 | 7.547338 | 7.435433 | 7.571125 | 7.533354 | 7.297334 | 7.362761 | 7.378455 | 7.445687 | 7.460268 | 7.182757 | 7.346087 | 7.249803 | 7.175472 | 7.276271 | 7.509576 | 7.147122 | 7.331859 | 7.694746 | 7.335485 | 7.471026 | 7.492269 | 7.442334 | 7.457799 | 7.300298 | 7.462162 | 7.481209 | 7.377593 | 7.51037 | 7.403224 | 7.589136 | 7.710247 | 7.378006 | 7.363854 | 7.256272 | 7.465648 | 7.573031 | 7.49444 | 7.762552 | 6.931134 | 7.009126 | 7.431801 | 7.365853 | 7.327396 | 7.359012 | 7.486 | 7.615819 | 7.404061 | 7.561697 | 7.463505 | 7.305931 | 7.618401 | 7.645529 | 7.676395 | 7.326386 | 7.414591 | 7.605118 | 7.474902 | 7.191722 | 7.472636 | 7.508868 | 7.561243 | 7.432863 | 7.642682 | 7.555685 | 7.473088 | 7.355443 | 7.291057 | 7.301047 | 7.290421 | 7.286707 | 7.28071 | 7.532536 | 7.590442 | 7.326144 | 7.231681 | 7.322128 | 7.571394 | 7.599904 | 7.516519 | 7.500248 | 7.245131 | 7.194043 | 7.452209 | 7.203993 | 7.343922 | 7.382806 | 7.443178 | 7.382649 | 7.30531 | 7.460784 | 7.431814 | 7.581696 | 7.553001 | 7.389461 | 7.769919 | 7.702933 | 7.542795 | 7.344237 | 7.446566 | 7.36862 | 7.778109 | 7.271927 | 7.451259 | 7.365606 | 7.418237 | 7.337947 | 7.560369 | 7.342044 | 7.518246 | 7.57008 | 7.511296 | 7.749489 | 7.309712 | 7.669014 | 7.571683 | 7.270738 | 7.575608 | 7.422525 | 7.644091 | 7.385178 | 7.380524 | 7.387568 | 7.444068 | 7.544501 | 7.20855 | 7.133006 | 7.245151 | 7.56148 | 7.636053 | 7.727555 | 7.30811 | 7.411477 | 7.791495 | 7.540449 | 7.388227 | 7.328929 | 7.300739 | 7.351287 | 7.096558 | 7.416372 | 7.605172 | 7.555457 | 7.642602 | 7.387403 | 7.18992 | 7.434815 | 7.51805 | 7.517119 | 7.236067 | 7.179042 | 7.565574 | 7.621868 | 7.275744 | 7.115157 | 7.361816 | 7.570735 | 7.390909 | 7.389258 | 7.444777 | 7.408003 | 7.531326 | 7.406926 | 7.60569 | 7.629681 | 7.680665 | 7.394733 | 7.369602 | 7.2472 | 7.524811 | 7.358848 | 7.358458 | 7.253107 | 7.587512 | 7.59129 | 7.394632 | 7.451678 | 7.660385 | 7.59039 | 7.523804 | 7.26047 | 7.200083 | 7.709445 | 7.544741 | 7.351928 | 7.536983 | 7.38117 | 7.38318 | 7.609539 | 7.351489 | 7.429457 | 7.472383 | 7.197042 | 7.480152 | 7.387291 | 7.416673 | 7.374229 | 7.433226 | 7.128047 | 7.509781 | 7.282127 | 7.232409 | 7.061557 | 7.481534 | 7.303198 | 7.528692 | 7.378364 | 7.353895 | 7.432849 | 7.453756 | 7.52883 | 7.666619 | 7.49813 | 7.155981 | 7.550569 | 7.17247 | 7.545676 | 7.588719 | 7.532875 | 7.414301 | 7.675215 | 7.497082 | 7.539481 | 7.729103 | 7.363173 | 7.252336 | 7.380006 | 7.310474 | 7.85345 | 6.965018 | 7.263124 | 7.056724 | 7.322903 | 7.225501 | 7.604737 | 7.040242 | 7.281874 | 7.389071 | 7.380237 | 7.086267 | 7.472297 | 7.424575 | 7.574255 | 7.400166 | 7.691641 | 7.281502 | 7.706711 | 7.613138 | 7.575295 | 7.688922 | 7.174456 | 7.416371 | 7.39368 | 7.394478 | 7.28261 | 7.443283 | 7.537984 | 7.451559 | 7.256218 | 7.456827 | 7.436539 | 7.526755 | 7.555479 | 7.532201 | 7.567217 | 7.171633 | 7.559219 | 7.161139 | 7.321462 | 7.238737 | 7.222456 | 7.227225 | 7.40751 | 7.59767 | 7.656773 | 7.486263 | 7.31352 | 7.406815 | 7.612892 | 7.506608 | 7.626454 | 7.53424 | 7.366936 | 7.434649 | 7.396435 | 7.395141 | 7.763846 | 7.543182 | 7.680852 | 7.258511 | 7.657297 | 7.492776 | 7.302639 | 7.370831 | 7.408823 | 7.623365 | 7.367599 | 7.517712 | 7.604749 | 7.316846 | 7.192296 | 7.296579 | 7.428864 | 7.349259 | 7.493698 | 7.469069 | 7.583714 | 7.765629 | 7.402472 | 7.61981 | 7.379122 | 7.338687 | 7.736267 | 7.568856 | 7.41489 | 7.680876 | 7.595646 | 7.317972 | 7.422616 | 7.188276 | 7.451427 | 7.395092 | 7.586822 | 7.494337 | 7.593893 | 7.42831 | 7.298371 | 7.191741 | 7.562984 | 7.503963 | 7.56857 | 7.547701 | 7.59342 | 7.450922 | 7.40759 | 7.517087 | 7.449965 | 7.586063 | 7.295637 | 7.534558 | 7.713913 | 7.29637 | 7.465442 | 7.627914 | 7.635251 | 7.74121 | 7.396419 | 7.564472 | 7.63227 | 7.447899 | 7.392982 | 7.2925 | 7.581001 | 7.237784 | 7.535236 | 7.288838 | 7.544314 | 7.214697 | 7.372306 | 7.105802 | 7.356377 | 7.784289 | 7.453878 | 7.320683 | 7.573496 | 7.545308 | 7.506361 | 7.645784 | 7.55516 | 7.234119 | 7.517632 | 7.574223 | 7.436062 | 7.341396 | 7.724384 | 7.229924 | 7.375758 | 7.404498 | 7.415274 | 7.234289 | 7.56397 | 7.607507 | 7.501533 | 7.615079 | 7.706538 | 7.446719 | [C][N][C][C][N][Branch1][Branch1][C][C][Ring1][=Branch1][C][=C][C][=C][Branch1][=Branch1][C][=C][Ring1][=Branch1][F][N][C][=N][C][=C][Branch1][=Branch1][C][=C][NH1][Ring1][Branch1][C][=Branch1][Ring2][=N][Ring1][=Branch2][O][C][=C][C][=C][C][=C] | -0.448338 | Q92630 | Q16288 | O00311 | 7.370831 | 7.85345 | 7.811426 |
CN(C)C/C=C/C(=O)NC1=CC=C(C=C1O[C@H1]2CCOC2)N=CN=C | 7.094724 | 7.215548 | 7.800495 | 6.721004 | 7.254287 | 7.171493 | 7.171937 | 7.152416 | 7.268581 | 6.715433 | 7.071017 | 7.408912 | 6.671271 | 7.276251 | 6.995072 | 6.910016 | 6.996664 | 7.116687 | 6.762852 | 6.873726 | 7.343336 | 7.010186 | 7.075969 | 7.426609 | 7.198851 | 6.921884 | 7.167062 | 7.06023 | 6.96186 | 7.204457 | 7.147255 | 6.97879 | 6.988616 | 7.083752 | 7.109556 | 7.212811 | 7.252633 | 6.882417 | 7.179402 | 7.141332 | 7.220402 | 7.370508 | 7.237082 | 7.529674 | 6.725802 | 6.642388 | 6.780964 | 7.090106 | 6.708829 | 7.056896 | 6.975698 | 7.421196 | 6.943765 | 7.182916 | 7.241724 | 6.771045 | 7.458514 | 7.207354 | 7.368148 | 6.858912 | 6.961412 | 7.253824 | 7.261257 | 6.871747 | 7.538302 | 7.220244 | 7.20633 | 6.953285 | 7.380169 | 7.400793 | 7.286559 | 6.864068 | 6.904337 | 6.720925 | 6.87476 | 6.613057 | 6.954428 | 7.225913 | 7.335328 | 7.087872 | 6.972391 | 7.214034 | 7.259686 | 7.442895 | 7.230594 | 7.466043 | 6.812107 | 6.51408 | 7.582732 | 6.980537 | 6.737195 | 7.348506 | 7.262908 | 7.034804 | 7.011891 | 7.137106 | 7.25667 | 7.368447 | 7.139252 | 7.000355 | 7.27415 | 7.325566 | 7.19447 | 7.014854 | 7.161917 | 7.284999 | 7.521292 | 7.056376 | 7.182436 | 7.330744 | 6.968342 | 7.011433 | 7.002996 | 7.03088 | 7.118538 | 7.218582 | 7.16753 | 7.261882 | 6.912397 | 6.915933 | 7.081041 | 6.916536 | 7.350294 | 6.967858 | 7.217911 | 7.286913 | 6.938947 | 7.35897 | 7.105494 | 7.391368 | 7.047428 | 6.534578 | 7.251518 | 7.15456 | 7.35794 | 7.362207 | 7.193276 | 7.007245 | 7.277601 | 7.250163 | 7.135289 | 6.796058 | 7.670818 | 7.530463 | 6.726488 | 6.939815 | 7.215159 | 7.2033 | 7.209639 | 7.134614 | 7.018267 | 7.440249 | 7.1531 | 7.203043 | 6.581872 | 6.892632 | 7.186153 | 7.415256 | 6.802577 | 6.591061 | 7.331735 | 7.115063 | 7.074958 | 6.934841 | 6.973227 | 7.166967 | 7.249725 | 6.990844 | 7.170764 | 7.366915 | 7.295581 | 7.179159 | 6.881608 | 7.060831 | 7.131727 | 6.698646 | 6.912083 | 6.931929 | 6.988689 | 7.245827 | 7.237886 | 6.832047 | 7.30151 | 7.249712 | 6.954027 | 7.104645 | 6.630036 | 7.42015 | 6.843469 | 7.044413 | 7.318678 | 7.113051 | 6.839603 | 7.391059 | 6.995173 | 7.205202 | 6.896278 | 6.837932 | 7.367108 | 6.904996 | 7.162187 | 7.057631 | 7.006997 | 6.753652 | 6.784381 | 7.00422 | 6.943218 | 6.774548 | 7.007297 | 6.881121 | 7.240119 | 6.964267 | 6.973666 | 7.061367 | 7.307786 | 7.188759 | 7.324326 | 7.164235 | 7.02683 | 7.166753 | 6.915078 | 7.261854 | 7.024956 | 7.394673 | 6.82364 | 7.418807 | 7.230464 | 7.333227 | 7.531528 | 7.020597 | 6.8225 | 7.214418 | 7.203193 | 7.622803 | 6.657531 | 6.844944 | 6.87139 | 7.154176 | 7.045852 | 7.343482 | 6.747052 | 6.970631 | 6.857754 | 7.277069 | 6.669958 | 6.896175 | 6.746038 | 7.214886 | 7.144563 | 7.341894 | 7.133149 | 7.190483 | 7.441214 | 7.388545 | 7.192444 | 6.925539 | 7.447948 | 7.104465 | 6.964517 | 6.681677 | 7.384347 | 7.054017 | 7.182048 | 7.036494 | 7.121864 | 6.720084 | 7.257852 | 7.415382 | 7.561407 | 7.321944 | 6.606351 | 7.17321 | 7.034904 | 6.739381 | 6.984633 | 6.892119 | 6.875558 | 7.153873 | 7.233827 | 7.159389 | 7.11334 | 7.141591 | 7.091469 | 7.345386 | 7.009157 | 7.172973 | 7.390134 | 6.952673 | 7.077217 | 7.406648 | 7.07058 | 7.347073 | 7.514917 | 7.29595 | 7.040965 | 7.408464 | 7.120298 | 6.985034 | 7.144305 | 6.924769 | 7.265487 | 7.312951 | 7.09025 | 7.483994 | 7.211513 | 7.051466 | 6.861664 | 7.354718 | 7.384462 | 7.130866 | 7.159242 | 7.199492 | 7.603154 | 7.178994 | 7.288976 | 7.153337 | 7.205935 | 7.096544 | 7.205061 | 7.071377 | 7.396271 | 7.506584 | 6.924613 | 7.140488 | 6.755742 | 7.045354 | 7.197364 | 7.390571 | 6.75971 | 7.589912 | 7.262609 | 7.107368 | 6.940082 | 7.148432 | 7.118956 | 7.247887 | 7.195343 | 7.269615 | 7.268654 | 7.145205 | 7.039747 | 7.324547 | 7.445939 | 7.213265 | 7.463099 | 7.307159 | 6.996728 | 7.212646 | 7.189863 | 7.096502 | 7.270591 | 7.466659 | 7.255798 | 7.219378 | 7.176433 | 6.997208 | 7.134424 | 7.337311 | 6.982098 | 7.216501 | 6.954762 | 7.121917 | 6.79909 | 7.201039 | 6.902222 | 7.089308 | 7.469829 | 7.125397 | 7.228104 | 7.291927 | 7.265349 | 7.336565 | 7.39023 | 7.33451 | 6.992972 | 7.310127 | 6.923723 | 7.151879 | 6.960971 | 7.433926 | 7.039602 | 6.896497 | 7.14692 | 7.145845 | 6.786473 | 7.095299 | 7.391416 | 7.292368 | 7.200152 | 7.310302 | 7.072989 | [C][N][Branch1][C][C][C][/C][=C][/C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=N][C][=C][Ring1][=Branch1][O][C@H1][C][C][O][C][Ring1][Branch1][N][=C][N][=C] | -0.575822 | Q92630 | O00311 | P49840 | 7.144305 | 7.800495 | 7.670818 |
CC1=CC=C(C=C1N2C(=C(C=N2)C(=O)C3=CC=CC(=C3)C#N)N)C(=O)NC | 6.245635 | 6.226017 | 6.448812 | 6.143346 | 6.357888 | 6.2241 | 6.304767 | 6.378487 | 6.186213 | 6.364114 | 6.241802 | 6.155854 | 6.094477 | 6.307091 | 6.159624 | 6.126165 | 6.285465 | 6.376771 | 6.147858 | 6.124957 | 6.236077 | 6.198789 | 6.320306 | 6.154986 | 6.102159 | 6.18025 | 6.266893 | 6.228422 | 6.272901 | 6.116465 | 6.173979 | 6.186617 | 6.204383 | 6.142447 | 6.295417 | 6.378001 | 6.329024 | 6.228037 | 6.154351 | 6.157438 | 6.212911 | 6.227221 | 6.320876 | 6.443901 | 5.768287 | 6.160401 | 6.469549 | 6.082195 | 6.00951 | 6.24464 | 6.444783 | 6.696022 | 6.119596 | 6.171811 | 6.230673 | 6.318764 | 6.372902 | 6.270224 | 6.612214 | 6.196099 | 6.059792 | 6.259967 | 6.146942 | 6.310538 | 6.146096 | 6.40488 | 6.217222 | 6.057872 | 6.423409 | 6.166288 | 6.179917 | 6.246694 | 6.228092 | 6.33217 | 6.192298 | 6.101609 | 6.319112 | 6.234822 | 6.20047 | 6.187513 | 6.126653 | 6.006783 | 6.401274 | 6.508764 | 6.468373 | 6.442554 | 6.117439 | 6.087635 | 6.234674 | 6.217701 | 6.22368 | 6.278632 | 6.260653 | 6.206071 | 6.358945 | 6.162786 | 6.054448 | 6.048146 | 6.083944 | 6.003119 | 6.67801 | 6.207159 | 6.191652 | 6.277276 | 6.436153 | 6.305976 | 6.198674 | 6.195529 | 6.235763 | 6.263298 | 6.401977 | 6.400093 | 6.351359 | 6.413276 | 6.06016 | 6.311723 | 6.189375 | 6.321334 | 6.046499 | 6.793352 | 6.354271 | 6.082657 | 6.265221 | 6.295909 | 6.583606 | 6.213083 | 6.223174 | 6.324048 | 6.16527 | 6.183261 | 6.148619 | 6.139398 | 6.156057 | 6.239959 | 6.349598 | 6.584883 | 6.200644 | 6.280927 | 6.638443 | 6.348852 | 6.19156 | 6.190886 | 6.221188 | 6.25579 | 6.096115 | 6.179524 | 6.222148 | 6.218063 | 6.210478 | 6.180002 | 5.768093 | 6.26297 | 6.32258 | 6.205471 | 6.311289 | 6.290594 | 6.436866 | 6.548601 | 6.163216 | 6.103205 | 6.182263 | 6.075861 | 5.955667 | 5.992916 | 5.861236 | 5.978443 | 6.274554 | 6.117093 | 6.24456 | 6.349687 | 6.557528 | 6.320235 | 6.174201 | 6.177435 | 6.208231 | 6.19453 | 6.147241 | 6.156962 | 6.274357 | 6.387362 | 6.273153 | 6.437306 | 6.325266 | 6.471152 | 6.11375 | 6.091397 | 6.217522 | 6.340442 | 6.361258 | 6.142011 | 6.503005 | 6.231731 | 6.549205 | 6.243851 | 6.210902 | 6.168737 | 6.338528 | 6.153321 | 6.205471 | 6.238528 | 6.28455 | 6.200022 | 6.270841 | 6.076957 | 6.428949 | 6.320423 | 6.309086 | 6.081568 | 6.419592 | 6.177691 | 6.245652 | 6.356685 | 6.316966 | 6.351362 | 6.145456 | 6.361195 | 6.266997 | 6.253239 | 6.309999 | 6.274302 | 6.24636 | 6.201517 | 6.224362 | 6.130881 | 6.187544 | 6.29379 | 6.244192 | 6.019275 | 6.416192 | 6.089466 | 6.132287 | 6.157255 | 6.14565 | 6.378482 | 6.11809 | 6.192145 | 6.152225 | 6.244739 | 6.319345 | 6.224333 | 5.806119 | 6.138682 | 6.280168 | 6.266781 | 5.909471 | 6.230083 | 6.290461 | 6.35161 | 6.287603 | 6.55755 | 6.292193 | 6.254581 | 6.322608 | 6.315018 | 6.211629 | 6.223599 | 6.220442 | 6.208854 | 6.12615 | 6.262218 | 6.154119 | 6.321742 | 6.213849 | 6.246843 | 6.399147 | 6.190089 | 6.304311 | 6.510555 | 6.25288 | 6.302506 | 6.037065 | 6.359497 | 6.30619 | 6.31373 | 6.053576 | 6.185474 | 6.018879 | 6.171504 | 6.514917 | 6.185548 | 6.236214 | 6.224226 | 6.420742 | 6.294903 | 6.222927 | 6.250191 | 6.362743 | 6.090824 | 6.167327 | 6.243061 | 6.183286 | 6.230336 | 6.280487 | 6.183474 | 6.136967 | 6.532725 | 6.333322 | 6.119116 | 6.178451 | 6.223511 | 6.263547 | 6.166607 | 6.296465 | 6.313809 | 6.15199 | 6.132441 | 6.145207 | 6.182518 | 6.262092 | 6.350833 | 6.110445 | 6.456625 | 6.495729 | 6.232839 | 6.235253 | 6.172032 | 6.145477 | 6.246066 | 6.33756 | 6.152807 | 6.384554 | 6.3228 | 6.255723 | 6.12085 | 6.066641 | 6.223106 | 6.190096 | 6.359217 | 6.245063 | 6.282929 | 6.200556 | 6.123107 | 6.109537 | 6.263892 | 6.411469 | 6.411503 | 6.265441 | 6.367483 | 6.188789 | 6.280243 | 6.189126 | 6.334588 | 6.264733 | 6.213833 | 6.287561 | 6.66245 | 6.213418 | 6.1433 | 6.49664 | 6.379877 | 6.367947 | 6.237842 | 6.423573 | 6.503763 | 6.127194 | 6.224491 | 6.160208 | 6.324772 | 6.23437 | 6.253678 | 6.117014 | 6.263 | 6.157063 | 6.269536 | 6.057657 | 6.182291 | 6.090816 | 6.158025 | 6.360935 | 6.457546 | 6.319428 | 6.332581 | 6.563993 | 6.271808 | 6.135535 | 6.245694 | 6.485823 | 6.345266 | 6.230615 | 6.310251 | 6.042512 | 6.215139 | 6.178849 | 6.146069 | 6.246365 | 6.201689 | 6.36382 | 6.308172 | 6.319701 | 6.633594 | 6.155049 | [C][C][=C][C][=C][Branch2][Ring2][C][C][=C][Ring1][=Branch1][N][C][=Branch2][Ring1][Branch2][=C][Branch1][Branch1][C][=N][Ring1][Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][#N][N][C][=Branch1][C][=O][N][C] | -0.547568 | Q92630 | P41240 | P07333 | 6.178451 | 6.793352 | 6.696022 |
CN1CCN(CC1)C2=CC=CC=C2F | 5.203189 | 4.705861 | 5.861485 | 5.586232 | 5.524767 | 5.145371 | 5.654365 | 5.014041 | 5.043509 | 5.214426 | 4.892404 | 4.901195 | 4.852594 | 5.649542 | 4.664318 | 4.831657 | 5.007411 | 5.09717 | 5.080263 | 5.169229 | 4.764684 | 5.001502 | 5.452253 | 4.999721 | 4.700512 | 5.711123 | 5.633812 | 5.024107 | 5.281161 | 5.16291 | 5.903315 | 4.936983 | 5.480187 | 4.783342 | 5.643039 | 5.131547 | 4.992956 | 4.937709 | 5.361837 | 5.079092 | 5.333737 | 4.908941 | 5.501494 | 5.412353 | 4.871434 | 5.226382 | 5.0109 | 5.349295 | 5.248912 | 4.830246 | 5.431796 | 6.138444 | 5.249987 | 5.213971 | 5.210996 | 5.220044 | 5.307885 | 5.173004 | 5.340984 | 5.495985 | 5.362518 | 5.338666 | 4.959851 | 6.09267 | 5.269299 | 5.620472 | 5.227999 | 5.388247 | 5.002824 | 4.797957 | 5.397115 | 4.927402 | 6.058056 | 5.558771 | 5.250286 | 4.634585 | 5.914806 | 5.481169 | 5.618263 | 5.287695 | 5.278874 | 4.557024 | 5.80653 | 5.894633 | 5.079252 | 5.690989 | 4.593951 | 4.602096 | 5.098734 | 5.571939 | 5.217364 | 5.186007 | 4.684336 | 5.177082 | 5.295544 | 5.078321 | 4.802972 | 4.46873 | 4.581966 | 4.465294 | 5.206415 | 5.201627 | 5.049273 | 4.835781 | 5.259652 | 4.975311 | 4.929985 | 5.09741 | 5.268912 | 5.313574 | 5.560438 | 6.022008 | 5.315365 | 6.11587 | 4.66873 | 4.699372 | 4.557317 | 4.900817 | 4.604173 | 5.649998 | 4.916757 | 4.786061 | 5.430041 | 5.245588 | 5.353695 | 5.384241 | 5.105742 | 4.896677 | 4.794759 | 5.677606 | 5.344604 | 5.296232 | 5.472785 | 5.261494 | 4.673148 | 5.04945 | 4.971949 | 5.400519 | 5.221907 | 4.955892 | 4.563265 | 4.896118 | 5.477791 | 5.497439 | 5.193241 | 5.21138 | 5.388823 | 5.636261 | 5.411553 | 4.777186 | 5.31108 | 5.427612 | 5.24754 | 5.073288 | 4.728887 | 5.02228 | 5.805516 | 5.79 | 5.076087 | 4.950889 | 5.361814 | 4.519897 | 4.457897 | 4.420861 | 4.46458 | 4.587667 | 5.621241 | 4.878088 | 5.100378 | 5.294998 | 5.136802 | 5.0756 | 5.168076 | 4.948324 | 5.022568 | 5.682217 | 4.757674 | 4.983933 | 5.078223 | 5.462134 | 5.386549 | 5.151536 | 4.996927 | 5.104476 | 4.900582 | 4.37133 | 5.127657 | 5.0693 | 5.039509 | 5.225677 | 5.089282 | 5.550678 | 5.446769 | 4.657772 | 5.430222 | 5.631397 | 5.554621 | 5.533148 | 5.613299 | 5.450109 | 5.455618 | 5.174685 | 5.699322 | 5.375133 | 4.849052 | 5.226577 | 4.855816 | 4.725689 | 5.850767 | 5.428679 | 5.610995 | 5.039889 | 5.183617 | 5.209002 | 5.115294 | 4.934698 | 4.670866 | 5.125968 | 5.160233 | 5.135827 | 4.923016 | 5.078108 | 5.279449 | 5.568261 | 5.189325 | 5.474843 | 5.74875 | 4.472984 | 5.248551 | 5.629407 | 5.023747 | 5.11908 | 4.863988 | 5.255726 | 4.704059 | 4.554528 | 5.319965 | 4.752426 | 5.292675 | 5.16075 | 4.932687 | 5.115959 | 5.085423 | 5.302672 | 4.937912 | 5.741453 | 5.672769 | 5.544195 | 4.98164 | 5.699457 | 5.226516 | 5.613547 | 4.728509 | 5.107636 | 5.501252 | 4.978029 | 5.509056 | 5.48866 | 5.056128 | 5.348981 | 4.767601 | 5.537764 | 5.217321 | 5.346216 | 5.132314 | 5.745405 | 5.283727 | 5.073633 | 4.996546 | 5.26708 | 5.39927 | 5.511941 | 5.331746 | 5.68188 | 4.895287 | 5.568635 | 5.038133 | 5.804545 | 5.617537 | 5.436423 | 5.201349 | 4.965318 | 5.180449 | 4.723143 | 5.177878 | 5.090183 | 4.898621 | 5.149313 | 5.964303 | 5.021366 | 5.798349 | 5.446156 | 4.954124 | 5.401231 | 4.769069 | 5.218369 | 5.176787 | 5.611918 | 5.099189 | 4.935761 | 5.784658 | 5.102953 | 5.233081 | 5.160449 | 5.615038 | 5.378553 | 5.108223 | 5.556937 | 5.470929 | 5.382241 | 5.491969 | 5.864328 | 5.000651 | 5.422649 | 5.120784 | 5.254212 | 5.059795 | 5.159191 | 5.676 | 5.345557 | 5.127904 | 5.964311 | 4.902466 | 4.999825 | 5.20558 | 5.265219 | 5.098318 | 4.763867 | 5.164302 | 5.525517 | 5.273683 | 5.571188 | 5.020592 | 5.665643 | 5.325217 | 5.490864 | 5.427251 | 5.465593 | 5.054541 | 5.2102 | 5.398092 | 5.088804 | 5.995574 | 5.047975 | 5.037699 | 5.241061 | 5.14329 | 5.185386 | 5.073559 | 5.444956 | 5.862089 | 5.303212 | 5.616068 | 5.169927 | 4.831634 | 5.040086 | 5.191684 | 5.547147 | 5.327679 | 5.563269 | 5.194869 | 5.201828 | 5.916056 | 4.898433 | 4.911186 | 5.645191 | 4.577159 | 4.981887 | 5.024591 | 5.319761 | 5.241104 | 4.977889 | 5.436491 | 4.936898 | 5.030476 | 5.112898 | 5.2835 | 5.053069 | 5.081802 | 5.175186 | 5.42204 | 5.767164 | 5.140638 | 5.079834 | 5.825823 | 4.845233 | 4.831912 | 5.643063 | 5.390373 | 5.167086 | 4.753195 | [C][N][C][C][N][Branch1][Branch1][C][C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][F] | -0.777594 | Q92630 | P07333 | P36888 | 5.099189 | 6.138444 | 6.11587 |
CC(C)C1=CC=CC(=N1)NC=CC=NC | 6.358776 | 6.223944 | 7.192062 | 5.909445 | 6.617269 | 5.347206 | 6.171257 | 6.450843 | 6.607342 | 6.036899 | 5.775273 | 6.48953 | 5.572413 | 6.307844 | 5.598663 | 5.146188 | 6.293615 | 6.147003 | 5.938176 | 5.783469 | 6.197133 | 6.052077 | 6.213676 | 6.439646 | 5.986211 | 5.597084 | 6.577609 | 6.311922 | 6.201548 | 5.810522 | 6.254239 | 5.967932 | 6.288463 | 5.636927 | 6.107675 | 6.096917 | 6.508066 | 5.080965 | 6.304267 | 6.180931 | 6.75877 | 6.44612 | 6.914516 | 6.648105 | 4.71767 | 5.685116 | 5.548722 | 6.134775 | 4.893221 | 5.731359 | 6.142945 | 6.542083 | 5.490246 | 5.810555 | 5.872732 | 5.34747 | 6.89648 | 5.37684 | 6.808958 | 5.83196 | 5.007763 | 6.756134 | 6.10884 | 6.149174 | 6.493854 | 6.804492 | 5.480298 | 5.442834 | 5.944974 | 6.513499 | 6.802324 | 6.257853 | 6.030577 | 6.195078 | 5.119445 | 5.940869 | 6.367891 | 6.342813 | 6.606179 | 6.190268 | 6.224044 | 5.397084 | 6.797219 | 6.986505 | 6.659737 | 6.634244 | 5.725545 | 5.823601 | 5.965687 | 6.291573 | 6.292014 | 6.168221 | 5.881291 | 5.403194 | 5.994857 | 5.379965 | 6.240385 | 5.613194 | 5.30789 | 5.146856 | 6.707234 | 6.564004 | 5.744835 | 5.483755 | 6.197609 | 6.225291 | 5.528525 | 6.341294 | 6.077346 | 6.214369 | 6.242706 | 6.256022 | 6.065609 | 6.301396 | 5.317024 | 6.134003 | 6.073652 | 6.47871 | 4.867537 | 6.855337 | 5.562014 | 6.40413 | 6.856013 | 5.678007 | 6.688782 | 6.447782 | 5.547623 | 6.065123 | 6.094154 | 6.450034 | 6.114137 | 6.023521 | 6.132556 | 6.282212 | 6.156821 | 6.603371 | 5.988823 | 6.63387 | 6.420457 | 6.593417 | 5.939837 | 5.993476 | 6.071983 | 6.061494 | 5.82173 | 6.059466 | 5.520019 | 6.372926 | 6.337777 | 5.762186 | 5.483028 | 6.549305 | 6.086702 | 6.241216 | 5.138016 | 6.211396 | 6.335888 | 6.623467 | 5.374915 | 5.931338 | 5.503359 | 4.996098 | 5.034875 | 4.710715 | 4.839448 | 5.677381 | 6.245542 | 5.013855 | 6.39589 | 6.389535 | 5.977025 | 6.308826 | 6.075651 | 6.031392 | 5.609735 | 6.148757 | 5.995268 | 6.35631 | 5.999504 | 5.990476 | 6.355711 | 6.9009 | 6.008246 | 6.496105 | 5.511038 | 6.123491 | 6.18371 | 6.428926 | 6.383371 | 6.05358 | 6.693718 | 6.281821 | 6.209406 | 5.92916 | 5.559107 | 6.203341 | 6.439546 | 6.384193 | 6.11712 | 6.092124 | 6.297314 | 6.335969 | 6.137133 | 6.201688 | 5.852859 | 6.121998 | 6.160136 | 5.821125 | 6.624343 | 6.396145 | 6.708243 | 5.536864 | 5.424967 | 5.924192 | 6.598554 | 6.285721 | 5.910694 | 6.288746 | 5.771904 | 6.374095 | 5.802984 | 5.948756 | 6.348691 | 6.303266 | 5.433472 | 6.787273 | 6.926693 | 5.29242 | 6.287282 | 5.324052 | 5.724729 | 6.175085 | 6.444577 | 6.600014 | 5.059638 | 6.069347 | 6.060551 | 6.160461 | 6.166418 | 5.821365 | 5.107709 | 6.288067 | 6.521544 | 6.213136 | 5.067987 | 6.001676 | 6.277019 | 6.375541 | 5.784252 | 6.562725 | 6.11619 | 6.563114 | 5.441361 | 5.66118 | 6.135862 | 6.280029 | 6.533714 | 6.638958 | 5.558774 | 6.164111 | 5.3057 | 6.334663 | 6.536763 | 5.808822 | 6.381747 | 6.158162 | 6.628587 | 6.329641 | 6.44738 | 6.959552 | 4.904865 | 6.528594 | 5.372253 | 6.023472 | 5.531903 | 6.036931 | 5.798985 | 6.054881 | 6.565735 | 5.498305 | 5.808331 | 6.34089 | 6.326009 | 6.162278 | 6.361954 | 6.398592 | 6.208959 | 6.08707 | 6.505558 | 5.969584 | 6.068467 | 6.398157 | 6.338337 | 6.562949 | 6.031446 | 6.293401 | 6.21777 | 6.277504 | 6.288248 | 5.984256 | 6.398972 | 6.335616 | 6.438866 | 6.4399 | 6.246731 | 5.377003 | 5.045975 | 6.241382 | 6.62885 | 6.69429 | 6.248458 | 6.642159 | 6.347612 | 6.140271 | 6.458629 | 6.166763 | 6.658285 | 6.115348 | 6.260867 | 6.188236 | 6.663982 | 6.370365 | 6.16584 | 5.888232 | 5.068738 | 6.383378 | 6.336021 | 5.80306 | 6.306331 | 6.557839 | 6.231335 | 5.769037 | 4.908445 | 6.368022 | 6.376418 | 6.5781 | 6.020138 | 6.60209 | 6.326072 | 6.281985 | 6.294693 | 6.584934 | 6.616689 | 6.161434 | 6.346703 | 6.026923 | 5.368446 | 6.359103 | 6.422234 | 6.632326 | 6.721374 | 6.350512 | 6.208102 | 6.283174 | 5.877779 | 6.226211 | 6.267674 | 6.432032 | 5.812744 | 6.273232 | 5.07206 | 6.275913 | 6.319712 | 6.131402 | 4.975065 | 6.053281 | 5.99508 | 5.836185 | 6.256157 | 6.373433 | 6.566937 | 6.430401 | 6.781236 | 6.446282 | 5.632224 | 6.171316 | 6.549415 | 5.969858 | 6.175021 | 6.674261 | 5.982789 | 6.294882 | 6.483504 | 6.410332 | 6.186791 | 6.169487 | 5.570674 | 6.302498 | 6.340734 | 5.869916 | 5.297668 | [C][C][Branch1][C][C][C][=C][C][=C][C][=Branch1][Ring2][=N][Ring1][=Branch1][N][C][=C][C][=N][C] | -0.71815 | Q92630 | O00311 | P21860 | 6.288248 | 7.192062 | 6.986505 |
C[C@@H1](C1=NC2=CC=C(C=C2C(=O)N1C3=CC=CC=C3)F)NC=CCN | 6.685661 | 6.785137 | 7.120507 | 6.619146 | 7.236231 | 6.936337 | 7.065364 | 7.223685 | 6.825709 | 6.972826 | 7.006388 | 6.570244 | 6.785867 | 6.84908 | 6.774365 | 6.503336 | 6.860387 | 6.899236 | 6.736287 | 6.629483 | 6.768548 | 6.573239 | 6.719451 | 6.973946 | 6.649161 | 6.967617 | 7.14045 | 6.901232 | 7.05926 | 6.670443 | 6.976312 | 6.85622 | 6.734136 | 6.668686 | 7.170897 | 7.339104 | 6.892452 | 6.993259 | 6.756485 | 6.682115 | 6.829212 | 6.832455 | 7.05297 | 7.300446 | 6.477097 | 6.594311 | 6.844107 | 6.750027 | 6.567253 | 6.810753 | 7.015818 | 7.176284 | 6.776167 | 6.993957 | 6.868377 | 6.881506 | 7.056602 | 7.004922 | 7.224139 | 6.468121 | 6.762654 | 6.873396 | 6.649967 | 6.728966 | 6.731904 | 7.047459 | 7.159316 | 6.638306 | 7.000667 | 6.805626 | 6.584243 | 6.79239 | 6.64865 | 6.908725 | 6.745607 | 6.631185 | 6.700249 | 6.899123 | 6.577397 | 6.680133 | 6.751559 | 6.342553 | 7.090275 | 7.343787 | 7.099597 | 7.105196 | 6.657876 | 6.584615 | 6.902683 | 6.808682 | 6.748466 | 6.882996 | 6.877293 | 6.632717 | 6.969595 | 6.790403 | 6.654209 | 6.713082 | 6.823883 | 6.471135 | 7.312889 | 6.987508 | 7.113208 | 7.0696 | 7.16071 | 6.985919 | 6.995485 | 6.765305 | 6.793566 | 6.848272 | 6.77545 | 6.896136 | 6.977511 | 6.769267 | 6.630658 | 6.859887 | 6.748626 | 7.065705 | 6.189262 | 7.257974 | 6.768103 | 6.601582 | 6.910652 | 6.995822 | 7.300017 | 6.905436 | 6.823206 | 6.99197 | 6.964771 | 6.982009 | 6.41392 | 6.485805 | 6.582203 | 6.920905 | 7.092159 | 7.169795 | 6.687833 | 6.785746 | 7.211961 | 6.791728 | 6.632944 | 6.527014 | 6.546893 | 6.74907 | 6.472084 | 6.801182 | 7.07151 | 6.817996 | 6.949126 | 6.719276 | 6.629198 | 6.65564 | 7.074058 | 6.725694 | 6.94209 | 6.820421 | 7.143678 | 7.249171 | 6.637718 | 6.474716 | 6.669563 | 6.729789 | 6.595136 | 6.553835 | 6.43293 | 6.727526 | 7.152598 | 6.770241 | 6.639394 | 7.076899 | 7.204861 | 6.76546 | 6.808343 | 6.510527 | 6.921016 | 6.613141 | 6.709614 | 6.872035 | 6.931724 | 6.958151 | 6.605453 | 7.131836 | 7.087293 | 7.025168 | 6.911154 | 6.60129 | 6.840304 | 7.127551 | 7.10594 | 6.842481 | 7.236302 | 6.814895 | 7.133365 | 6.924692 | 7.10377 | 6.801239 | 7.305462 | 6.861599 | 6.871356 | 6.979331 | 7.156265 | 6.739387 | 7.031168 | 6.702592 | 7.171676 | 6.870386 | 6.916393 | 6.44608 | 7.186433 | 6.555235 | 6.886541 | 6.98047 | 6.863805 | 6.875926 | 6.721924 | 7.006944 | 6.889578 | 6.798764 | 6.699671 | 6.972675 | 6.790359 | 6.804034 | 7.071525 | 6.582735 | 6.818012 | 7.114197 | 7.007911 | 6.692649 | 7.140376 | 6.637251 | 6.535888 | 6.984648 | 6.619856 | 7.296423 | 6.522256 | 6.804882 | 6.613276 | 6.934135 | 6.773824 | 7.005151 | 6.42949 | 6.673438 | 6.883235 | 6.78266 | 6.465386 | 7.055479 | 6.823743 | 7.005714 | 6.711652 | 7.21474 | 6.691113 | 7.04999 | 6.918592 | 6.911782 | 6.948313 | 6.800209 | 6.700014 | 6.857275 | 6.630786 | 7.060319 | 6.71903 | 7.178485 | 6.813704 | 6.867158 | 7.108491 | 6.769608 | 7.004511 | 7.230236 | 7.086275 | 7.103561 | 6.772352 | 6.83681 | 6.97043 | 7.043803 | 6.512856 | 6.623877 | 6.387408 | 6.983905 | 7.224747 | 6.90061 | 7.299211 | 6.821563 | 7.194456 | 7.071218 | 6.710317 | 6.654253 | 7.213203 | 6.601632 | 6.747849 | 6.943795 | 6.995941 | 7.027439 | 6.811656 | 6.891027 | 6.834179 | 7.21627 | 7.237608 | 6.593078 | 6.733461 | 6.680345 | 6.991065 | 6.715339 | 7.128532 | 6.916016 | 6.800665 | 6.879572 | 6.81222 | 6.732825 | 6.627914 | 7.095964 | 6.670958 | 7.215715 | 7.25771 | 6.82612 | 7.236686 | 6.718236 | 6.572458 | 7.02318 | 6.954235 | 6.829845 | 7.033458 | 6.814788 | 6.659273 | 6.849558 | 6.78029 | 6.641527 | 6.717065 | 7.007715 | 6.902221 | 6.708164 | 6.80503 | 6.918545 | 6.783449 | 7.140434 | 7.060705 | 6.861965 | 7.048231 | 6.880923 | 6.741895 | 6.867849 | 7.064883 | 6.775488 | 6.712655 | 6.604387 | 6.855948 | 7.232072 | 6.985001 | 6.69797 | 7.021713 | 7.043907 | 7.175375 | 6.722395 | 7.08463 | 7.180342 | 6.696066 | 6.957313 | 6.557731 | 6.880813 | 6.806104 | 6.883174 | 6.76932 | 7.083234 | 6.799722 | 6.887866 | 6.394072 | 6.936892 | 6.804088 | 6.641832 | 6.825555 | 7.276307 | 7.022879 | 7.073064 | 7.331079 | 6.979374 | 6.638194 | 6.670138 | 7.236225 | 6.888135 | 7.07856 | 7.162558 | 6.663233 | 6.771449 | 6.71237 | 6.775223 | 6.986529 | 6.969236 | 7.056995 | 7.124746 | 7.188042 | 7.220996 | 6.850273 | [C][C@@H1][Branch2][Ring1][=C][C][=N][C][=C][C][=C][Branch2][Ring1][Ring2][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][F][N][C][=C][C][N] | -0.544357 | Q92630 | P21860 | O95819 | 6.733461 | 7.343787 | 7.339104 |
C[C@@H1]C1=NC2=CC=CC=C2C(=O)N1 | 5.38324 | 5.557043 | 6.956978 | 5.575699 | 6.267305 | 5.286806 | 6.075715 | 6.18675 | 6.278591 | 5.640731 | 5.712983 | 6.1552 | 5.282775 | 5.731943 | 5.232224 | 4.483484 | 5.848158 | 6.027012 | 4.983721 | 5.02876 | 6.059292 | 6.088497 | 6.045613 | 6.11605 | 5.847663 | 5.66921 | 6.547626 | 5.518885 | 5.418883 | 5.512863 | 5.857409 | 5.356198 | 5.86325 | 5.576859 | 6.136028 | 6.1875 | 6.019396 | 4.826238 | 5.898975 | 5.834494 | 6.270545 | 5.804039 | 6.525349 | 6.531314 | 4.564216 | 5.230758 | 5.40609 | 5.990655 | 5.390251 | 5.282081 | 5.856511 | 6.392449 | 5.257503 | 5.252446 | 5.990222 | 5.531257 | 6.531968 | 5.373561 | 6.576535 | 5.551328 | 5.462154 | 6.368573 | 5.130965 | 6.137855 | 5.902698 | 6.359711 | 5.973132 | 5.509159 | 5.619213 | 5.169415 | 6.242203 | 5.672472 | 6.11691 | 5.938337 | 5.000376 | 4.834253 | 5.980617 | 6.582423 | 6.264128 | 5.170316 | 5.99004 | 5.054212 | 6.393431 | 6.840964 | 6.173224 | 6.32296 | 4.720893 | 4.78657 | 5.835675 | 5.848291 | 5.382307 | 6.01197 | 5.929792 | 5.331649 | 5.85288 | 5.768489 | 5.222823 | 5.079433 | 5.225806 | 4.845801 | 6.555208 | 6.333808 | 5.307573 | 5.38595 | 5.977789 | 5.904717 | 5.524288 | 5.569678 | 5.794751 | 6.028397 | 5.953477 | 6.053295 | 6.098383 | 6.233758 | 5.245275 | 5.489408 | 5.749705 | 6.407691 | 4.891374 | 6.557998 | 5.910936 | 5.116981 | 6.468665 | 5.17875 | 6.225076 | 6.063557 | 5.324983 | 5.979605 | 5.891839 | 6.216872 | 5.403386 | 5.166899 | 5.726738 | 5.759671 | 5.715408 | 6.659175 | 5.783959 | 6.653545 | 6.484395 | 6.530099 | 5.327038 | 5.157317 | 5.549453 | 5.5503 | 5.214736 | 5.437565 | 5.473184 | 6.096006 | 5.551363 | 5.17312 | 5.528936 | 6.201292 | 5.92912 | 5.704862 | 5.078134 | 5.802867 | 6.304028 | 6.415056 | 4.727661 | 5.079273 | 5.217046 | 5.146664 | 4.938505 | 4.91458 | 5.000573 | 5.095108 | 5.980546 | 4.900614 | 6.082947 | 6.025392 | 5.458273 | 6.166688 | 5.181201 | 5.190622 | 6.052647 | 5.364137 | 5.009468 | 5.263485 | 5.96125 | 5.863726 | 6.238791 | 6.214615 | 5.987954 | 6.369321 | 5.429923 | 4.715262 | 5.564173 | 6.022481 | 5.626601 | 4.854582 | 6.214049 | 5.945895 | 5.58639 | 5.915367 | 5.380599 | 5.763894 | 6.106506 | 6.166852 | 5.690944 | 5.067412 | 6.303615 | 5.486731 | 5.360551 | 5.930895 | 5.803551 | 6.129241 | 6.035676 | 5.583831 | 6.208422 | 6.125224 | 5.795509 | 5.369018 | 5.377238 | 5.950481 | 6.276002 | 6.157885 | 6.077853 | 6.062408 | 5.790196 | 6.274492 | 5.676758 | 5.635479 | 5.872018 | 5.515187 | 5.219176 | 6.286839 | 6.644989 | 5.029887 | 6.356182 | 5.242381 | 4.801657 | 5.845579 | 5.059563 | 6.45338 | 4.763793 | 5.159659 | 4.907279 | 5.224774 | 6.160365 | 5.608122 | 5.152955 | 5.752108 | 6.031734 | 5.769114 | 5.230225 | 5.582451 | 5.613112 | 6.136589 | 5.288431 | 6.444614 | 6.137148 | 6.247051 | 5.242071 | 6.026596 | 5.94866 | 5.852528 | 6.206999 | 5.582028 | 5.513057 | 5.999336 | 5.110235 | 6.11524 | 6.29154 | 5.705201 | 5.394981 | 6.021722 | 6.108693 | 6.318687 | 6.145818 | 6.659456 | 5.336295 | 6.225339 | 5.048762 | 5.901405 | 5.028354 | 5.895201 | 5.46275 | 5.737669 | 6.443902 | 5.387383 | 5.730851 | 6.116995 | 5.987821 | 5.95031 | 5.626744 | 6.092501 | 6.351966 | 5.779609 | 6.016764 | 6.012179 | 5.738064 | 6.432151 | 6.318424 | 6.303946 | 5.877425 | 6.249938 | 6.180882 | 5.702646 | 6.028041 | 5.042733 | 5.851331 | 5.495339 | 6.010115 | 6.50936 | 5.793609 | 5.064781 | 5.023993 | 5.772729 | 6.316078 | 6.18528 | 6.169765 | 6.240542 | 6.346564 | 5.626831 | 6.286334 | 5.846814 | 6.049627 | 5.846642 | 5.968726 | 5.832073 | 6.397504 | 6.294222 | 5.264772 | 5.431527 | 5.056013 | 5.669977 | 6.013761 | 5.844882 | 5.639621 | 6.288848 | 6.056872 | 5.286996 | 4.830197 | 5.985686 | 5.375359 | 6.332181 | 5.929156 | 6.360491 | 6.083136 | 5.426741 | 6.423249 | 6.666528 | 6.28722 | 5.452052 | 6.273331 | 5.428407 | 5.105833 | 5.499337 | 6.319485 | 5.915711 | 6.085827 | 5.639832 | 6.110662 | 6.236806 | 4.928498 | 6.148754 | 5.85692 | 6.349256 | 5.729677 | 6.052454 | 4.961929 | 6.075343 | 5.18224 | 5.870091 | 4.859329 | 5.888147 | 5.914232 | 5.092137 | 5.949419 | 6.259509 | 6.049031 | 6.077958 | 6.478647 | 6.104641 | 4.907298 | 5.262538 | 6.166848 | 5.819038 | 4.749426 | 6.44956 | 5.613019 | 6.012552 | 6.109303 | 6.135545 | 5.802768 | 5.574899 | 5.629495 | 6.045984 | 6.211318 | 5.20167 | 5.126361 | [C][C@@H1][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][O] | -0.730098 | Q92630 | O00311 | P21860 | 6.028041 | 6.956978 | 6.840964 |
C[C@@H1](C1=NC2=CC=C(C=C2C(=O)N1C3=CC=CC=C3)F)NC | 6.147541 | 6.215553 | 6.509541 | 6.123967 | 6.471171 | 6.316941 | 6.357102 | 6.319448 | 6.322167 | 6.222771 | 6.215339 | 6.054691 | 6.299644 | 6.228541 | 6.180098 | 6.190579 | 6.18826 | 6.283329 | 6.200128 | 6.246502 | 6.226892 | 6.135353 | 6.189039 | 6.275631 | 6.068644 | 6.377441 | 6.629059 | 6.29235 | 6.322772 | 6.153615 | 6.328296 | 6.249126 | 6.27075 | 6.175969 | 6.310671 | 6.5504 | 6.19855 | 6.244612 | 6.159747 | 6.159528 | 6.305912 | 6.227469 | 6.351003 | 6.851884 | 6.221443 | 6.218036 | 6.253294 | 6.19712 | 6.127036 | 6.318053 | 6.385552 | 6.689588 | 6.205646 | 6.372508 | 6.250237 | 6.297184 | 6.416063 | 6.310359 | 6.539569 | 6.200235 | 6.238369 | 6.467992 | 6.137977 | 6.349112 | 6.065921 | 6.460796 | 6.57616 | 6.166214 | 6.404063 | 6.215871 | 6.100832 | 6.280254 | 6.346215 | 6.451843 | 6.223817 | 6.145344 | 6.195503 | 6.384816 | 6.201743 | 6.270236 | 6.24455 | 6.025935 | 6.448293 | 6.561691 | 6.488753 | 6.44692 | 6.113313 | 6.160543 | 6.137178 | 6.202831 | 6.317093 | 6.172382 | 6.166852 | 6.210199 | 6.234696 | 6.219422 | 6.194005 | 6.086132 | 6.218307 | 6.071301 | 6.580283 | 6.563087 | 6.421272 | 6.307487 | 6.341056 | 6.217092 | 6.330328 | 6.146156 | 6.346463 | 6.159705 | 6.297207 | 6.289554 | 6.308176 | 6.420705 | 6.193964 | 6.249866 | 6.173079 | 6.463054 | 5.993114 | 6.727533 | 6.235123 | 6.135087 | 6.368177 | 6.376894 | 6.660997 | 6.235324 | 6.266973 | 6.18169 | 6.264342 | 6.320467 | 6.222033 | 6.26055 | 6.211108 | 6.403845 | 6.284326 | 6.419951 | 6.115453 | 6.335045 | 6.447552 | 6.264891 | 6.197392 | 6.317134 | 6.168462 | 6.243005 | 6.182716 | 6.281671 | 6.372593 | 6.259343 | 6.431414 | 6.134934 | 6.296001 | 6.252089 | 6.414192 | 6.303682 | 6.223199 | 6.226246 | 6.494697 | 6.336289 | 6.243257 | 6.259809 | 6.203857 | 6.103217 | 6.096842 | 6.083812 | 6.086864 | 6.159956 | 6.425345 | 6.190555 | 6.225195 | 6.376812 | 6.315804 | 6.292037 | 6.347568 | 6.117553 | 6.304236 | 6.215522 | 6.250002 | 6.187214 | 6.240468 | 6.416512 | 6.193847 | 6.340683 | 6.393086 | 6.401964 | 6.386432 | 6.097726 | 6.222219 | 6.473798 | 6.544971 | 6.185578 | 6.48013 | 6.277638 | 6.603282 | 6.162443 | 6.424684 | 6.299261 | 6.599392 | 6.38192 | 6.366509 | 6.271665 | 6.514624 | 6.233337 | 6.31019 | 6.269416 | 6.450134 | 6.257667 | 6.258835 | 6.073792 | 6.507589 | 6.17973 | 6.302991 | 6.242958 | 6.224305 | 6.259634 | 6.248529 | 6.224127 | 6.21055 | 6.257355 | 6.213891 | 6.27673 | 6.168258 | 6.314765 | 6.552331 | 6.13244 | 6.279039 | 6.279657 | 6.344071 | 6.124269 | 6.570132 | 6.188004 | 6.209876 | 6.331942 | 6.056482 | 6.775244 | 6.0859 | 6.106261 | 6.135412 | 6.241955 | 6.234375 | 6.515291 | 6.056705 | 6.158103 | 6.284293 | 6.181478 | 6.156232 | 6.397048 | 6.402443 | 6.362836 | 6.264382 | 6.631057 | 6.243579 | 6.544994 | 6.190446 | 6.241257 | 6.393966 | 6.117803 | 6.34754 | 6.211363 | 6.189088 | 6.257066 | 6.178112 | 6.478826 | 6.240435 | 6.143911 | 6.370803 | 6.33579 | 6.293822 | 6.45032 | 6.243881 | 6.41714 | 6.167192 | 6.417917 | 6.223937 | 6.410717 | 6.19298 | 6.181616 | 6.088877 | 6.197783 | 6.461979 | 6.354175 | 6.446962 | 6.158284 | 6.323515 | 6.280054 | 6.26917 | 6.244975 | 6.387589 | 6.164361 | 6.219133 | 6.179677 | 6.182448 | 6.469337 | 6.237494 | 6.367456 | 6.121476 | 6.498005 | 6.481967 | 6.138744 | 6.187582 | 6.289609 | 6.580535 | 6.093492 | 6.278797 | 6.235999 | 6.084772 | 6.146229 | 6.2033 | 6.132014 | 6.247174 | 6.250108 | 6.26356 | 6.427957 | 6.574638 | 6.330571 | 6.333932 | 6.188807 | 6.067361 | 6.42935 | 6.447145 | 6.353546 | 6.34318 | 6.220057 | 6.242434 | 6.26695 | 6.215262 | 6.242759 | 6.206824 | 6.244218 | 6.356126 | 6.160952 | 6.212753 | 6.159341 | 6.173462 | 6.454311 | 6.415942 | 6.433119 | 6.435056 | 6.415961 | 6.210832 | 6.285987 | 6.601561 | 6.293763 | 6.171517 | 6.122514 | 6.244385 | 6.425176 | 6.266119 | 6.283473 | 6.276741 | 6.245825 | 6.431369 | 6.17802 | 6.310294 | 6.436972 | 6.178365 | 6.262924 | 6.162362 | 6.374206 | 6.147453 | 6.278203 | 6.219563 | 6.382957 | 6.238895 | 6.196631 | 6.075225 | 6.212557 | 6.180934 | 6.233261 | 6.223135 | 6.528754 | 6.298427 | 6.369069 | 6.631161 | 6.373826 | 6.252689 | 6.219057 | 6.425628 | 6.292774 | 6.270891 | 6.307686 | 6.061593 | 6.263774 | 6.221172 | 6.239472 | 6.331117 | 6.33657 | 6.271233 | 6.3701 | 6.426357 | 6.341297 | 6.157633 | [C][C@@H1][Branch2][Ring1][=C][C][=N][C][=C][C][=C][Branch2][Ring1][Ring2][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][F][N][C] | -0.581219 | Q92630 | P04629 | Q16288 | 6.187582 | 6.851884 | 6.775244 |
CC#CC(=O)N1CCC[C@H1]1C2=NC=CN2C=CN=C | 6.764187 | 6.705976 | 7.390137 | 6.606449 | 6.767958 | 6.706408 | 6.645097 | 6.719297 | 6.854991 | 6.468122 | 6.934999 | 6.938153 | 6.687078 | 6.91813 | 6.802853 | 6.477272 | 6.594738 | 6.87935 | 6.794916 | 6.804284 | 6.871278 | 6.932272 | 6.719231 | 7.03823 | 6.847563 | 6.766515 | 6.921412 | 6.876119 | 6.630914 | 6.815605 | 6.890191 | 6.733107 | 6.901495 | 6.646882 | 6.811527 | 6.743343 | 6.943338 | 6.535587 | 6.609504 | 6.85204 | 7.208302 | 6.758203 | 7.087919 | 7.126105 | 6.63708 | 6.707061 | 6.528083 | 6.468971 | 6.536086 | 6.894827 | 6.91603 | 6.764042 | 6.561439 | 6.792371 | 6.858033 | 6.637118 | 7.168819 | 6.693937 | 7.280717 | 5.501509 | 6.614451 | 6.825941 | 6.873436 | 6.378544 | 7.252036 | 7.022873 | 6.819641 | 6.648798 | 6.818767 | 6.842868 | 6.620307 | 6.721145 | 6.45542 | 6.711928 | 6.770754 | 6.59403 | 5.482305 | 6.869066 | 6.806485 | 6.800937 | 6.776242 | 6.75434 | 7.131203 | 7.190767 | 7.011746 | 7.295603 | 6.540812 | 6.492997 | 6.920665 | 6.869265 | 6.967761 | 6.737269 | 6.733556 | 6.984149 | 6.426017 | 7.044971 | 6.884731 | 6.795213 | 6.827817 | 6.582304 | 6.915707 | 6.921701 | 6.714716 | 6.731716 | 6.727873 | 6.872262 | 6.752424 | 6.814629 | 6.88202 | 6.686627 | 6.794523 | 6.672587 | 6.664226 | 6.567502 | 6.70089 | 6.869566 | 6.788672 | 6.771148 | 6.741453 | 6.738314 | 6.651856 | 6.76581 | 7.105474 | 6.683208 | 6.864335 | 7.010984 | 6.690506 | 6.919154 | 6.88151 | 7.146979 | 6.703635 | 6.512388 | 6.731429 | 6.710981 | 6.8437 | 6.942705 | 6.719077 | 6.947709 | 6.819421 | 7.123208 | 7.065287 | 6.793984 | 7.038114 | 6.952087 | 6.877633 | 6.71075 | 6.675118 | 6.923997 | 6.773204 | 6.898089 | 6.910555 | 6.746211 | 6.78321 | 6.703578 | 6.442372 | 6.782565 | 7.025253 | 7.119658 | 6.815825 | 6.604566 | 6.765962 | 6.715006 | 6.594035 | 6.493693 | 6.601432 | 6.643708 | 6.679665 | 6.82529 | 6.691949 | 6.878087 | 6.742886 | 6.944776 | 6.810134 | 6.968486 | 6.886495 | 7.017816 | 6.782526 | 6.696828 | 6.706693 | 6.87416 | 6.877121 | 6.789884 | 6.845798 | 6.847523 | 6.612052 | 6.861561 | 6.662963 | 6.958358 | 6.607246 | 6.869111 | 6.974693 | 6.843627 | 6.711807 | 6.771813 | 6.633138 | 6.732928 | 6.990608 | 6.545096 | 6.922116 | 6.590049 | 6.891288 | 6.856687 | 6.612239 | 6.484261 | 6.502993 | 6.846094 | 6.851455 | 6.606205 | 7.139445 | 6.95818 | 6.926995 | 6.505522 | 6.52746 | 6.68489 | 7.122176 | 6.92652 | 6.73506 | 6.78038 | 6.765767 | 6.837044 | 6.761534 | 6.8666 | 6.704358 | 6.911759 | 6.788344 | 6.883687 | 7.256823 | 6.707924 | 6.964166 | 6.897496 | 6.789846 | 6.745728 | 6.703203 | 7.054018 | 6.548331 | 6.637231 | 6.826485 | 6.862338 | 6.944041 | 6.744223 | 6.548396 | 6.705249 | 6.77093 | 6.81177 | 6.595123 | 6.741488 | 6.55356 | 6.910882 | 6.920771 | 7.093688 | 6.920617 | 6.798793 | 6.963504 | 6.834201 | 6.688403 | 6.644314 | 6.961092 | 7.068845 | 6.743722 | 6.607468 | 6.883804 | 6.890341 | 6.687309 | 6.557089 | 6.619718 | 6.798162 | 6.944817 | 6.859077 | 7.22129 | 7.024866 | 6.807467 | 6.961936 | 6.762316 | 6.549987 | 6.612349 | 6.801372 | 6.471817 | 6.883409 | 6.977757 | 6.750095 | 6.771834 | 6.638683 | 6.659067 | 6.99603 | 6.941002 | 6.695725 | 6.897718 | 6.505153 | 6.782251 | 6.855025 | 6.838789 | 7.025378 | 6.710879 | 7.035184 | 6.656854 | 6.91639 | 6.670337 | 6.685059 | 6.914079 | 6.873096 | 6.960436 | 6.828481 | 6.802754 | 6.916686 | 6.539638 | 6.879545 | 6.716914 | 7.035133 | 6.808971 | 6.867186 | 6.624531 | 6.745352 | 7.113262 | 6.818494 | 6.980564 | 6.792743 | 6.845596 | 6.723382 | 6.844826 | 6.829267 | 6.937266 | 6.987668 | 6.786195 | 6.860349 | 6.676381 | 6.946688 | 6.836322 | 6.966156 | 6.625917 | 6.882339 | 6.698014 | 6.719966 | 6.666973 | 7.017115 | 6.650089 | 6.943608 | 6.869635 | 6.980313 | 6.963346 | 6.861045 | 6.856841 | 7.260797 | 7.021282 | 6.847146 | 6.754261 | 6.714605 | 6.660282 | 6.821811 | 6.625153 | 6.88104 | 6.909833 | 6.921728 | 6.904963 | 6.832695 | 6.654536 | 6.688884 | 6.716836 | 6.996708 | 6.479897 | 6.801766 | 6.599207 | 6.686504 | 7.029379 | 6.984908 | 6.839101 | 6.842785 | 6.993435 | 6.716083 | 6.906666 | 6.794106 | 6.962615 | 6.735536 | 6.998171 | 6.878992 | 6.870932 | 6.992191 | 6.643556 | 6.645611 | 6.70568 | 6.925914 | 6.505654 | 6.67103 | 6.858001 | 7.106249 | 6.597624 | 6.969415 | 6.797419 | 6.850126 | 6.688451 | 6.769367 | 6.724248 | [C][C][#C][C][=Branch1][C][=O][N][C][C][C][C@H1][Ring1][Branch1][C][=N][C][=C][N][Ring1][Branch1][C][=C][N][=C] | -0.443081 | Q92630 | O00311 | P22607 | 6.914079 | 7.390137 | 7.295603 |
CC(C)C1=CC=CC(=N1)NC2=CC=NC=N2 | 6.354239 | 6.396933 | 7.396438 | 6.355175 | 6.384616 | 5.910796 | 6.340484 | 6.502231 | 6.727288 | 6.42198 | 6.192181 | 6.811391 | 5.816585 | 6.438877 | 6.287559 | 6.152822 | 6.618689 | 6.332634 | 6.008051 | 6.0508 | 6.396899 | 6.482584 | 6.460372 | 6.749205 | 6.378294 | 6.162967 | 6.482661 | 6.363313 | 6.243638 | 6.342121 | 6.529799 | 6.509263 | 6.680227 | 6.155562 | 6.334805 | 6.299412 | 6.55005 | 6.106999 | 6.687339 | 6.186608 | 6.91017 | 6.459898 | 6.899747 | 6.73007 | 5.488766 | 5.920324 | 6.22926 | 6.446978 | 5.714632 | 6.279094 | 6.223876 | 6.462951 | 6.183236 | 6.190417 | 6.288651 | 5.816126 | 7.01691 | 6.066417 | 6.818456 | 6.341566 | 6.039756 | 6.70442 | 6.466295 | 6.375465 | 6.937555 | 6.673853 | 6.377287 | 6.17025 | 6.426105 | 6.693989 | 7.035784 | 6.386066 | 6.374818 | 6.165138 | 5.879369 | 6.431797 | 6.565172 | 6.647059 | 6.940516 | 6.463065 | 6.608238 | 6.170908 | 6.680531 | 6.662746 | 6.540786 | 6.567135 | 6.421945 | 6.350389 | 6.357453 | 6.42206 | 6.499094 | 6.678187 | 6.239765 | 6.359712 | 6.247343 | 6.455555 | 6.209726 | 6.270109 | 5.571768 | 6.19745 | 6.662523 | 6.486678 | 6.258487 | 6.322894 | 6.412704 | 6.538475 | 6.492473 | 6.630001 | 6.334873 | 6.731101 | 6.619727 | 6.329291 | 6.162466 | 6.4862 | 5.892465 | 6.332199 | 6.236759 | 6.438051 | 6.018116 | 6.427107 | 6.115163 | 6.294922 | 6.95599 | 6.004642 | 6.342927 | 6.487998 | 6.170543 | 6.584934 | 6.402691 | 6.823047 | 6.563378 | 6.343658 | 6.396788 | 6.366891 | 6.444387 | 6.701822 | 6.546904 | 6.748839 | 6.593477 | 6.768504 | 6.431454 | 6.39898 | 6.650492 | 6.607106 | 6.297511 | 6.416435 | 6.072984 | 6.690339 | 6.2609 | 6.269299 | 6.37717 | 6.748542 | 6.395597 | 6.44118 | 5.68182 | 6.31354 | 6.513084 | 6.756808 | 6.161542 | 6.275585 | 6.28841 | 5.975051 | 6.112518 | 5.616757 | 6.090661 | 6.211908 | 6.326482 | 5.925007 | 6.803237 | 6.684101 | 6.351833 | 6.589937 | 6.425866 | 6.520837 | 6.423798 | 6.386049 | 6.309616 | 6.624949 | 6.104378 | 6.237187 | 6.614371 | 6.690143 | 6.26752 | 6.568545 | 5.647807 | 6.355749 | 6.260049 | 6.499515 | 6.3587 | 6.395518 | 6.583609 | 6.453038 | 6.155973 | 6.286341 | 6.241812 | 6.363896 | 6.373868 | 6.401061 | 6.399764 | 6.166225 | 6.214314 | 6.685317 | 6.157341 | 6.294906 | 5.973695 | 6.309377 | 6.168369 | 6.093541 | 6.566582 | 6.660683 | 6.810108 | 6.283647 | 6.251499 | 6.388453 | 6.837491 | 6.37942 | 6.23535 | 6.467129 | 6.186542 | 6.666771 | 6.2348 | 6.166386 | 5.968814 | 6.655657 | 6.248344 | 6.898516 | 6.859103 | 6.194586 | 6.625362 | 6.071517 | 6.191388 | 6.56536 | 6.79855 | 6.637028 | 5.91203 | 6.18425 | 6.29831 | 6.44825 | 6.420227 | 6.426788 | 6.415226 | 6.471956 | 6.600033 | 6.505203 | 5.92768 | 6.231361 | 6.315356 | 6.439216 | 6.262548 | 6.623834 | 6.499394 | 6.524916 | 6.059573 | 6.253489 | 6.329305 | 6.538398 | 6.62976 | 6.892523 | 6.360842 | 6.227711 | 6.336546 | 6.530169 | 6.775196 | 6.247471 | 6.409459 | 6.400812 | 6.692494 | 6.58342 | 6.923063 | 7.159978 | 5.434167 | 6.725632 | 5.878044 | 6.105901 | 6.266879 | 6.348413 | 6.363062 | 6.337526 | 6.686019 | 6.436765 | 6.374754 | 6.619691 | 6.370129 | 6.484495 | 6.563953 | 6.811459 | 6.577679 | 6.644666 | 6.643659 | 6.540652 | 6.272757 | 6.714102 | 6.655672 | 6.689362 | 6.315028 | 6.533409 | 6.446434 | 6.626281 | 6.541546 | 6.261805 | 6.518405 | 6.590338 | 6.620005 | 6.807373 | 6.607113 | 6.128371 | 5.792882 | 6.609438 | 6.719558 | 6.683694 | 6.312193 | 6.588176 | 6.676322 | 6.600222 | 6.551526 | 6.323658 | 6.855456 | 6.212335 | 6.403884 | 6.445347 | 6.776539 | 6.921961 | 6.584436 | 6.32285 | 5.533621 | 6.563528 | 6.436713 | 6.167165 | 6.550284 | 7.011544 | 6.632803 | 6.154617 | 5.996736 | 6.510618 | 6.392792 | 6.800502 | 6.167054 | 6.83375 | 6.468943 | 6.564164 | 6.610631 | 6.795136 | 7.084805 | 6.306889 | 6.641971 | 6.253548 | 6.178496 | 6.533469 | 6.564544 | 6.6104 | 6.919175 | 6.788004 | 6.417778 | 6.43546 | 6.33766 | 6.543461 | 6.841501 | 6.492737 | 6.221644 | 6.559625 | 5.971557 | 6.325109 | 6.475775 | 6.288846 | 6.235935 | 6.339225 | 6.382083 | 6.006876 | 6.510957 | 6.416942 | 6.629043 | 6.54438 | 6.734426 | 6.667205 | 6.253593 | 6.637506 | 6.668696 | 6.462848 | 6.423797 | 6.886516 | 6.400679 | 6.4482 | 6.484936 | 6.556316 | 6.079406 | 6.385473 | 6.106668 | 6.395119 | 6.296739 | 6.283875 | 6.124396 | [C][C][Branch1][C][C][C][=C][C][=C][C][=Branch1][Ring2][=N][Ring1][=Branch1][N][C][=C][C][=N][C][=N][Ring1][=Branch1] | -0.693616 | Q92630 | O00311 | Q86Y07 | 6.541546 | 7.396438 | 7.159978 |
C[C@@H1](C1=NC2=CC=C(C=C2C(=O)N1C3=CC=CC=C3)F)NC=CC | 6.320743 | 6.286133 | 6.711118 | 6.295513 | 6.684682 | 6.483286 | 6.634012 | 6.665496 | 6.397607 | 6.490446 | 6.462807 | 6.212986 | 6.362346 | 6.39969 | 6.330969 | 6.324884 | 6.367279 | 6.482326 | 6.333472 | 6.309051 | 6.393584 | 6.210338 | 6.38414 | 6.458174 | 6.219297 | 6.551802 | 6.708284 | 6.42146 | 6.52924 | 6.305917 | 6.522073 | 6.431246 | 6.433715 | 6.307077 | 6.552594 | 6.82514 | 6.351717 | 6.464802 | 6.35839 | 6.247374 | 6.383884 | 6.375567 | 6.535767 | 6.936559 | 6.267671 | 6.306593 | 6.490139 | 6.377876 | 6.248321 | 6.490216 | 6.593349 | 6.831938 | 6.377204 | 6.541311 | 6.424427 | 6.478999 | 6.561104 | 6.500971 | 6.798219 | 6.333389 | 6.412859 | 6.537658 | 6.283252 | 6.500574 | 6.21608 | 6.640285 | 6.704413 | 6.31044 | 6.598811 | 6.384869 | 6.232605 | 6.350022 | 6.460485 | 6.584582 | 6.368322 | 6.274264 | 6.391013 | 6.511416 | 6.326932 | 6.430151 | 6.371803 | 6.058089 | 6.630754 | 6.748323 | 6.734283 | 6.665854 | 6.239522 | 6.231998 | 6.419015 | 6.378396 | 6.511669 | 6.371287 | 6.340507 | 6.344273 | 6.478505 | 6.381442 | 6.227626 | 6.187088 | 6.281975 | 6.144742 | 6.858798 | 6.620404 | 6.527891 | 6.529434 | 6.576115 | 6.408362 | 6.510038 | 6.254373 | 6.475382 | 6.354128 | 6.444095 | 6.47639 | 6.491119 | 6.553264 | 6.222575 | 6.332183 | 6.265422 | 6.607467 | 5.970228 | 6.880108 | 6.379163 | 6.211246 | 6.476618 | 6.479828 | 6.858819 | 6.368472 | 6.415398 | 6.429713 | 6.433249 | 6.441185 | 6.251269 | 6.305833 | 6.34797 | 6.541959 | 6.619816 | 6.678441 | 6.322843 | 6.483931 | 6.743671 | 6.374877 | 6.257091 | 6.270967 | 6.373355 | 6.486202 | 6.240056 | 6.415338 | 6.618401 | 6.392421 | 6.568252 | 6.312727 | 6.395268 | 6.365639 | 6.629463 | 6.421147 | 6.420903 | 6.409615 | 6.715864 | 6.696429 | 6.355044 | 6.262616 | 6.395244 | 6.259244 | 6.161587 | 6.152893 | 6.12809 | 6.245929 | 6.662493 | 6.261117 | 6.37182 | 6.607 | 6.637378 | 6.409314 | 6.539185 | 6.245499 | 6.447507 | 6.336977 | 6.399389 | 6.386193 | 6.413553 | 6.587412 | 6.396257 | 6.619859 | 6.577563 | 6.547715 | 6.484117 | 6.164521 | 6.389673 | 6.678029 | 6.640304 | 6.39723 | 6.704417 | 6.439568 | 6.750666 | 6.357387 | 6.671794 | 6.426271 | 6.776173 | 6.53694 | 6.492241 | 6.465438 | 6.696052 | 6.399335 | 6.563565 | 6.409348 | 6.622542 | 6.445431 | 6.439286 | 6.169665 | 6.710707 | 6.249341 | 6.477573 | 6.488644 | 6.439429 | 6.455915 | 6.333084 | 6.395794 | 6.350645 | 6.396317 | 6.392165 | 6.425705 | 6.33516 | 6.438256 | 6.608981 | 6.259305 | 6.449979 | 6.553275 | 6.439268 | 6.195755 | 6.770959 | 6.264171 | 6.325961 | 6.528389 | 6.17573 | 6.870068 | 6.210742 | 6.291637 | 6.273499 | 6.524749 | 6.406528 | 6.581055 | 6.10884 | 6.298887 | 6.436046 | 6.422737 | 6.171451 | 6.637863 | 6.560799 | 6.539499 | 6.383046 | 6.88395 | 6.401646 | 6.65764 | 6.298867 | 6.402741 | 6.534511 | 6.317019 | 6.462998 | 6.439236 | 6.320794 | 6.50243 | 6.302101 | 6.690913 | 6.379045 | 6.396812 | 6.637392 | 6.453247 | 6.502922 | 6.77531 | 6.53147 | 6.614687 | 6.306524 | 6.52964 | 6.46186 | 6.63878 | 6.218572 | 6.304505 | 6.125816 | 6.369296 | 6.682248 | 6.521546 | 6.734943 | 6.377299 | 6.61912 | 6.5727 | 6.405262 | 6.381592 | 6.724201 | 6.287133 | 6.402933 | 6.402616 | 6.365488 | 6.569993 | 6.399547 | 6.524986 | 6.289356 | 6.802735 | 6.706929 | 6.263888 | 6.36329 | 6.418117 | 6.64489 | 6.267201 | 6.565821 | 6.425896 | 6.311105 | 6.404497 | 6.328605 | 6.32853 | 6.361293 | 6.56798 | 6.35799 | 6.623687 | 6.801571 | 6.497049 | 6.613492 | 6.315286 | 6.15551 | 6.562891 | 6.573819 | 6.528444 | 6.530934 | 6.384017 | 6.35448 | 6.364425 | 6.347539 | 6.297087 | 6.321608 | 6.48877 | 6.532121 | 6.323806 | 6.388067 | 6.34394 | 6.372502 | 6.703892 | 6.658747 | 6.525103 | 6.557823 | 6.512861 | 6.334274 | 6.457873 | 6.693755 | 6.385015 | 6.366963 | 6.251172 | 6.39767 | 6.764436 | 6.469399 | 6.36148 | 6.513977 | 6.460148 | 6.701671 | 6.386428 | 6.47436 | 6.705593 | 6.369783 | 6.451378 | 6.280459 | 6.60084 | 6.347597 | 6.43516 | 6.396453 | 6.555526 | 6.396735 | 6.380019 | 6.13525 | 6.419439 | 6.301274 | 6.351028 | 6.426396 | 6.799841 | 6.540803 | 6.622321 | 6.867501 | 6.542574 | 6.357532 | 6.337108 | 6.690639 | 6.490799 | 6.514177 | 6.610443 | 6.258537 | 6.407047 | 6.324656 | 6.39432 | 6.619426 | 6.51097 | 6.460851 | 6.626989 | 6.627359 | 6.660764 | 6.308911 | [C][C@@H1][Branch2][Ring1][=C][C][=N][C][=C][C][=C][Branch2][Ring1][Ring2][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][F][N][C][=C][C] | -0.517756 | Q92630 | P04629 | Q5S007 | 6.36329 | 6.936559 | 6.88395 |
CCN1CCN(CC1)CC2=CC=C(N=C2)NC3=NC=CC(=N3)C4=CC=CC=C4 | 7.05304 | 7.323761 | 7.623315 | 7.186138 | 7.37119 | 7.248689 | 7.205112 | 7.34674 | 7.439666 | 7.348217 | 7.023826 | 7.296424 | 7.083167 | 7.260922 | 7.385785 | 7.04264 | 7.265272 | 7.030149 | 7.11441 | 6.971541 | 7.277192 | 6.907345 | 7.187058 | 7.611307 | 7.076435 | 7.285579 | 7.388786 | 7.189341 | 7.187254 | 7.173921 | 7.362146 | 7.229578 | 7.371824 | 7.2499 | 7.176851 | 7.285271 | 7.488388 | 7.090728 | 7.308732 | 7.279037 | 7.379676 | 7.451122 | 7.54424 | 7.576587 | 6.712219 | 6.871759 | 7.414969 | 7.28188 | 7.222127 | 7.308873 | 7.317525 | 7.437413 | 7.229187 | 7.307891 | 7.180649 | 7.35324 | 7.578358 | 7.4032 | 7.54144 | 7.336085 | 7.210813 | 7.476474 | 7.281719 | 7.139293 | 7.31424 | 7.420116 | 7.548949 | 7.321256 | 7.606373 | 7.427614 | 7.427619 | 7.345006 | 7.226751 | 7.265828 | 6.961311 | 7.220669 | 7.299695 | 7.450009 | 7.385772 | 7.152983 | 7.242123 | 7.068163 | 7.455208 | 7.453554 | 7.502604 | 7.439889 | 7.217736 | 7.140405 | 7.295421 | 7.148036 | 7.274837 | 7.332934 | 7.2275 | 7.219636 | 7.182726 | 7.333119 | 7.278098 | 7.254439 | 7.1589 | 7.110859 | 7.525306 | 7.458479 | 7.231023 | 7.265526 | 7.432766 | 7.184074 | 7.33989 | 7.141436 | 7.332171 | 7.32416 | 7.355248 | 7.327793 | 7.259744 | 7.437244 | 7.209174 | 7.249304 | 7.20524 | 7.473809 | 7.234151 | 7.684814 | 7.424281 | 7.277568 | 7.588876 | 7.167992 | 7.47659 | 7.383517 | 7.145078 | 7.264203 | 7.339473 | 7.382986 | 7.116499 | 7.010787 | 7.026405 | 7.254606 | 7.503541 | 7.444468 | 7.270826 | 7.43083 | 7.438153 | 7.237983 | 7.102955 | 7.068707 | 7.25207 | 7.244931 | 7.041794 | 7.350527 | 7.431091 | 7.407918 | 7.38601 | 7.252327 | 7.051349 | 7.358332 | 7.406078 | 7.174787 | 7.276686 | 6.880679 | 7.294477 | 7.398889 | 7.189474 | 6.967765 | 7.158296 | 7.177626 | 7.070804 | 7.09971 | 7.120579 | 7.091334 | 7.399107 | 7.116899 | 7.412946 | 7.459743 | 7.448495 | 7.11519 | 7.271469 | 7.201952 | 7.346044 | 7.174444 | 7.195191 | 7.208608 | 7.300646 | 7.395582 | 7.273347 | 7.425542 | 7.317755 | 7.433823 | 7.248513 | 7.262946 | 7.086238 | 7.533484 | 7.55654 | 7.254994 | 7.368725 | 7.14074 | 7.315145 | 7.353598 | 7.148098 | 7.12134 | 7.269783 | 7.142758 | 7.277966 | 7.126137 | 7.375335 | 7.270194 | 7.108982 | 7.081333 | 7.250799 | 7.124264 | 7.039619 | 6.834281 | 7.327169 | 7.105751 | 7.404177 | 7.213398 | 7.172075 | 7.194969 | 7.244998 | 7.296609 | 7.32659 | 7.367166 | 7.05345 | 7.540624 | 7.057753 | 7.182141 | 7.392162 | 7.38167 | 7.083624 | 7.442163 | 7.465522 | 7.183686 | 7.59866 | 7.220197 | 7.007579 | 7.25567 | 7.341933 | 7.706325 | 6.916509 | 7.15149 | 7.076306 | 7.217195 | 7.099082 | 7.399692 | 7.062546 | 7.147169 | 7.261672 | 7.271249 | 6.771451 | 7.18773 | 7.262976 | 7.338733 | 7.156468 | 7.468086 | 7.153731 | 7.414297 | 7.271946 | 7.297892 | 7.318541 | 7.146536 | 7.357283 | 7.429584 | 7.241909 | 7.102013 | 7.165473 | 7.297849 | 7.389225 | 7.189312 | 7.158626 | 7.241814 | 7.42264 | 7.355294 | 7.352268 | 7.533786 | 6.918229 | 7.345097 | 6.939836 | 7.085029 | 7.07968 | 7.246504 | 7.085546 | 7.302938 | 7.500915 | 7.391191 | 7.22936 | 7.244289 | 7.119739 | 7.395707 | 7.235172 | 7.422244 | 7.250219 | 7.401643 | 7.433014 | 7.398433 | 7.329586 | 7.597162 | 7.379055 | 7.483354 | 7.122967 | 7.425069 | 7.202355 | 7.25739 | 7.091468 | 7.190419 | 7.427309 | 7.208143 | 7.393999 | 7.381609 | 7.27017 | 6.970234 | 7.057648 | 7.287618 | 7.288578 | 7.517339 | 7.334779 | 7.437127 | 7.579418 | 7.378293 | 7.441456 | 7.220771 | 7.24277 | 7.434044 | 7.336916 | 7.251932 | 7.546725 | 7.338371 | 7.384748 | 7.426018 | 6.964358 | 7.315324 | 7.124252 | 7.174185 | 7.217006 | 7.537039 | 7.294636 | 7.2499 | 6.984288 | 7.37176 | 7.172285 | 7.406281 | 7.267143 | 7.389481 | 7.173555 | 7.274776 | 7.413783 | 7.236151 | 7.507432 | 7.096366 | 7.404364 | 7.479604 | 7.081451 | 7.172367 | 7.499468 | 7.373719 | 7.729671 | 7.357376 | 7.319904 | 7.32681 | 7.211485 | 7.540545 | 7.299583 | 7.498387 | 7.157741 | 7.198823 | 6.991899 | 7.238032 | 7.288598 | 7.079472 | 7.03589 | 7.157859 | 7.443237 | 7.224261 | 7.051236 | 7.303421 | 7.437724 | 7.232403 | 7.442954 | 7.365627 | 7.135907 | 7.358517 | 7.409475 | 7.241208 | 7.296679 | 7.466332 | 7.346857 | 7.148059 | 7.097944 | 7.134916 | 7.087134 | 7.361202 | 7.305031 | 7.257792 | 7.356774 | 7.457357 | 7.109941 | [C][C][N][C][C][N][Branch1][Branch1][C][C][Ring1][=Branch1][C][C][=C][C][=C][Branch1][Branch1][N][=C][Ring1][=Branch1][N][C][=N][C][=C][C][=Branch1][Ring2][=N][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] | -0.563675 | Q92630 | Q9NRP7 | Q16288 | 7.091468 | 7.729671 | 7.706325 |
CC(C)C1=CC=CC(=N1)NC2=CC=NC(=N2)NC=CC=CC=C | 6.904111 | 6.950869 | 7.510014 | 6.968834 | 7.107898 | 6.882154 | 7.053977 | 7.065235 | 7.313135 | 6.966403 | 6.944779 | 7.096766 | 6.807974 | 7.168048 | 7.235038 | 6.748615 | 7.066081 | 6.986807 | 6.78784 | 6.724803 | 7.106758 | 6.847487 | 6.945217 | 7.22098 | 6.874678 | 7.11554 | 7.207397 | 7.058421 | 6.734772 | 7.146582 | 7.121565 | 7.17703 | 7.279122 | 7.059834 | 6.776398 | 7.075284 | 7.287567 | 6.812778 | 7.073408 | 6.864613 | 7.187569 | 7.145627 | 7.238651 | 7.371384 | 6.526091 | 6.52827 | 6.968093 | 7.094836 | 6.904783 | 7.074892 | 7.07325 | 7.207563 | 7.060299 | 7.093489 | 6.981437 | 6.882128 | 7.473426 | 6.990019 | 7.378369 | 7.039504 | 6.962918 | 7.336185 | 7.072095 | 6.981216 | 7.123722 | 7.20912 | 7.210718 | 7.042775 | 7.202137 | 7.344741 | 7.342855 | 7.008624 | 7.075483 | 7.064989 | 6.732954 | 7.109175 | 7.238229 | 7.397797 | 7.351066 | 7.076104 | 7.260791 | 6.728024 | 7.159323 | 7.104262 | 7.251457 | 7.165542 | 7.143269 | 7.022289 | 7.028587 | 7.014008 | 7.068262 | 7.262516 | 6.881283 | 7.030242 | 6.894907 | 7.115244 | 6.820617 | 6.893757 | 6.765901 | 6.798409 | 7.423527 | 7.430469 | 6.918956 | 6.827953 | 6.991384 | 7.160824 | 7.110186 | 7.183864 | 7.100831 | 7.308444 | 7.253794 | 7.140887 | 6.943696 | 7.197904 | 6.777581 | 6.924025 | 6.723201 | 7.100548 | 6.670696 | 7.357983 | 7.077456 | 7.033755 | 7.321338 | 6.777966 | 7.138204 | 7.003572 | 6.879032 | 7.193579 | 7.179298 | 7.216815 | 6.962274 | 6.837526 | 6.927795 | 7.152848 | 7.186365 | 7.295895 | 7.052289 | 7.446321 | 7.234502 | 7.335261 | 7.001367 | 6.88197 | 7.194374 | 7.191934 | 6.874785 | 7.199732 | 7.094706 | 7.436346 | 7.177645 | 6.988293 | 7.104015 | 7.195735 | 7.292498 | 7.180785 | 6.710999 | 6.863695 | 6.915552 | 7.169247 | 6.776348 | 6.624184 | 7.066723 | 6.753842 | 6.659842 | 6.666654 | 6.791919 | 6.734653 | 7.205171 | 6.827321 | 7.317552 | 7.36202 | 7.093989 | 7.052173 | 7.146709 | 7.046155 | 7.101131 | 7.037489 | 7.105004 | 7.072803 | 6.895024 | 7.144771 | 7.274467 | 7.261058 | 6.970087 | 7.252693 | 6.873758 | 6.995179 | 6.820701 | 7.305576 | 7.272295 | 7.093344 | 7.268589 | 7.068229 | 6.932193 | 6.929014 | 7.003284 | 7.065135 | 7.027811 | 6.951821 | 7.122026 | 6.714603 | 7.027314 | 7.294919 | 6.713583 | 6.906027 | 6.753296 | 6.974261 | 6.588852 | 6.699045 | 7.117668 | 7.062251 | 7.254204 | 6.996627 | 6.940773 | 7.034913 | 7.293857 | 6.9626 | 6.919592 | 7.030652 | 6.772633 | 7.364975 | 6.727937 | 7.104763 | 7.04798 | 7.379825 | 7.042298 | 7.295027 | 7.093415 | 6.808468 | 7.373587 | 6.917145 | 6.729866 | 6.975258 | 7.061111 | 7.442979 | 6.577385 | 6.938447 | 6.899213 | 7.038555 | 6.96579 | 7.174415 | 6.918461 | 7.05869 | 7.170391 | 7.198682 | 6.561598 | 7.017778 | 7.062815 | 7.15195 | 7.05125 | 7.359483 | 7.172883 | 7.291151 | 6.733902 | 6.946238 | 7.162476 | 6.969084 | 7.230573 | 7.267237 | 7.094071 | 6.910005 | 6.858877 | 7.202831 | 7.350405 | 6.876114 | 6.99913 | 7.107103 | 7.126082 | 7.061162 | 7.176825 | 7.416732 | 6.496328 | 7.358923 | 6.528063 | 6.9164 | 6.943151 | 7.034149 | 7.045442 | 6.831338 | 7.195251 | 7.379128 | 6.895823 | 6.988331 | 6.858219 | 7.099253 | 7.293627 | 7.336444 | 7.114048 | 7.225389 | 7.24286 | 7.111436 | 6.836072 | 7.307163 | 7.25305 | 7.329373 | 6.84725 | 7.190089 | 6.968789 | 7.129725 | 7.035189 | 7.042247 | 7.407786 | 7.059183 | 7.287673 | 7.425036 | 7.066586 | 6.70895 | 6.624452 | 7.135746 | 7.166667 | 7.267058 | 7.093608 | 7.243547 | 7.288408 | 7.220674 | 7.136611 | 6.95804 | 7.145013 | 7.306082 | 7.285728 | 7.079371 | 7.444111 | 7.209275 | 7.357741 | 7.085504 | 6.588211 | 7.10637 | 7.011551 | 6.673197 | 7.196372 | 7.394381 | 7.132162 | 6.772254 | 6.713635 | 7.171662 | 7.07662 | 7.403396 | 6.990763 | 7.392879 | 7.040459 | 7.247358 | 7.251021 | 7.272386 | 7.377286 | 6.907605 | 7.169643 | 7.072513 | 6.80474 | 7.086531 | 7.227617 | 7.207287 | 7.51861 | 7.285627 | 6.931595 | 7.100223 | 7.149714 | 7.29504 | 7.217396 | 7.321691 | 6.82965 | 7.136693 | 6.805927 | 7.062739 | 7.049845 | 6.936977 | 6.888588 | 6.788562 | 7.030215 | 7.061409 | 6.971272 | 7.138556 | 7.061077 | 7.142354 | 7.376872 | 7.227781 | 7.061425 | 7.175637 | 7.252159 | 7.095993 | 6.880079 | 7.326402 | 7.126608 | 7.123159 | 7.027476 | 7.126425 | 6.87154 | 7.140949 | 6.865574 | 6.950969 | 6.92337 | 7.069914 | 6.843812 | [C][C][Branch1][C][C][C][=C][C][=C][C][=Branch1][Ring2][=N][Ring1][=Branch1][N][C][=C][C][=N][C][=Branch1][Ring2][=N][Ring1][=Branch1][N][C][=C][C][=C][C][=C] | -0.448979 | Q92630 | Q9NRP7 | O00311 | 7.035189 | 7.51861 | 7.510014 |
CC(C)C1=CC(=NO1)NC(=O)NC2=CC=CC(=C2)OC=CC=CC | 6.220075 | 6.251373 | 6.366543 | 6.160098 | 6.406622 | 6.336941 | 6.387208 | 6.549368 | 6.285872 | 6.375982 | 6.264617 | 6.133669 | 6.268644 | 6.306479 | 6.303202 | 6.203778 | 6.175655 | 6.169603 | 6.263729 | 6.211998 | 6.227532 | 6.129383 | 6.261594 | 6.327559 | 6.194213 | 6.391434 | 6.399791 | 6.28082 | 6.290267 | 6.128166 | 6.303128 | 6.163164 | 6.212472 | 6.158268 | 6.401667 | 6.59378 | 6.301995 | 6.33641 | 6.221526 | 6.143239 | 6.36233 | 6.396667 | 6.524313 | 6.765413 | 6.23249 | 6.197775 | 6.20404 | 6.166566 | 6.122946 | 6.263133 | 6.359562 | 6.690052 | 6.226618 | 6.295907 | 6.237456 | 6.27999 | 6.633151 | 6.298158 | 6.696659 | 5.999228 | 6.206144 | 6.162938 | 6.215252 | 6.183876 | 6.332649 | 6.463765 | 6.431283 | 6.136686 | 6.582606 | 6.355457 | 6.171648 | 6.326396 | 6.058226 | 6.320954 | 6.192511 | 6.133399 | 6.127268 | 6.306655 | 6.178235 | 6.207314 | 6.219682 | 6.110692 | 6.506567 | 6.643379 | 6.623924 | 6.73559 | 6.150836 | 6.134764 | 6.44464 | 6.18659 | 6.241409 | 6.233885 | 6.288479 | 6.168718 | 6.221232 | 6.235712 | 6.341135 | 6.275527 | 6.46427 | 6.080367 | 6.61978 | 6.26512 | 6.549667 | 6.318808 | 6.338705 | 6.442032 | 6.439416 | 6.231564 | 6.154368 | 6.186411 | 6.23919 | 6.372923 | 6.351506 | 6.328634 | 6.062892 | 6.285195 | 6.256076 | 6.410282 | 6.029232 | 6.718884 | 6.2003 | 6.153157 | 6.372677 | 6.365026 | 6.53776 | 6.206503 | 6.419839 | 6.470135 | 6.391818 | 6.399476 | 6.168016 | 6.204296 | 6.24379 | 6.246038 | 6.646913 | 6.459703 | 6.210003 | 6.196124 | 6.487785 | 6.164976 | 6.110555 | 6.082147 | 6.123612 | 6.254183 | 6.158886 | 6.182662 | 6.439979 | 6.241188 | 6.265735 | 6.262168 | 6.180866 | 6.185626 | 6.323679 | 6.178176 | 6.333765 | 6.212782 | 6.497768 | 6.525084 | 6.24105 | 6.187982 | 6.1495 | 6.339159 | 6.229773 | 6.154443 | 6.110126 | 6.361045 | 6.296227 | 6.259891 | 6.154363 | 6.303283 | 6.623923 | 6.294865 | 6.22112 | 6.094562 | 6.256454 | 6.169089 | 6.172052 | 6.169611 | 6.327982 | 6.371198 | 6.142005 | 6.405862 | 6.572388 | 6.447222 | 6.293431 | 6.032059 | 6.284457 | 6.529853 | 6.614736 | 6.158984 | 6.365793 | 6.188826 | 6.498554 | 6.333904 | 6.264616 | 6.361493 | 6.688667 | 6.278778 | 6.267662 | 6.275098 | 6.362501 | 6.246683 | 6.324399 | 6.238715 | 6.570914 | 6.213407 | 6.414251 | 6.196392 | 6.511389 | 6.145096 | 6.498884 | 6.248183 | 6.21022 | 6.24096 | 6.164627 | 6.341575 | 6.356523 | 6.134363 | 6.246253 | 6.276405 | 6.224491 | 6.125989 | 6.276332 | 6.152423 | 6.209872 | 6.437079 | 6.363768 | 6.269432 | 6.474624 | 6.086727 | 6.232347 | 6.27804 | 6.078557 | 6.783726 | 6.025717 | 6.24719 | 6.211529 | 6.29058 | 6.327243 | 6.472766 | 5.55216 | 6.227045 | 6.189676 | 6.289484 | 6.047862 | 6.332098 | 6.425768 | 6.423026 | 6.13551 | 6.695911 | 6.197188 | 6.483388 | 6.306195 | 6.264537 | 6.42951 | 6.254433 | 6.231797 | 6.352635 | 6.227168 | 6.322596 | 6.216197 | 6.467939 | 6.210086 | 6.176075 | 6.351193 | 6.256031 | 6.45714 | 6.649647 | 6.450629 | 6.331091 | 6.250038 | 6.162698 | 6.297971 | 6.388457 | 6.088896 | 6.16558 | 6.047932 | 6.227694 | 6.496362 | 6.278422 | 6.506009 | 6.193555 | 6.322301 | 6.589183 | 6.159218 | 6.155943 | 6.545086 | 6.130302 | 6.224693 | 6.274525 | 6.244382 | 6.454647 | 6.161043 | 6.340647 | 6.312908 | 6.58674 | 6.523902 | 6.157697 | 6.136323 | 6.156824 | 6.295375 | 6.114355 | 6.50887 | 6.271039 | 6.155978 | 6.255033 | 6.247982 | 6.257783 | 6.233104 | 6.457463 | 6.066041 | 6.34889 | 6.673084 | 6.256359 | 6.494846 | 6.220258 | 6.128798 | 6.275154 | 6.426517 | 6.266228 | 6.332208 | 6.34559 | 6.109952 | 6.23904 | 6.275913 | 6.242616 | 6.275337 | 6.349988 | 6.21601 | 6.19582 | 6.197509 | 6.217385 | 6.212346 | 6.383224 | 6.305607 | 6.150267 | 6.364831 | 6.171424 | 6.301012 | 6.273423 | 6.550228 | 6.206028 | 6.196595 | 6.146811 | 6.172367 | 6.613208 | 6.320687 | 6.241939 | 6.188189 | 6.327436 | 6.309361 | 6.265874 | 6.277334 | 6.425728 | 6.142855 | 6.259119 | 6.169173 | 6.355093 | 6.177366 | 6.27819 | 6.280369 | 6.333175 | 6.252016 | 6.301845 | 6.068512 | 6.274659 | 6.286837 | 6.142843 | 6.161916 | 6.490001 | 6.49383 | 6.362611 | 6.551832 | 6.304298 | 6.188307 | 6.16313 | 6.489876 | 6.206479 | 6.28649 | 6.420707 | 6.18519 | 6.330614 | 6.250961 | 6.221612 | 6.362881 | 6.400596 | 6.30736 | 6.41502 | 6.336794 | 6.665893 | 6.256798 | [C][C][Branch1][C][C][C][=C][C][=Branch1][Branch1][=N][O][Ring1][Branch1][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][=C][C][=C][C] | -0.569919 | Q92630 | Q16288 | P04629 | 6.136323 | 6.783726 | 6.765413 |
CC1=CC=CC=C1N2C=C(C=N2)C(=O)C=CC | 5.880061 | 5.907927 | 6.196702 | 5.853106 | 5.914181 | 5.876539 | 5.974185 | 5.965952 | 6.07286 | 5.939013 | 5.934987 | 5.917346 | 5.654477 | 5.86164 | 5.92339 | 5.834692 | 6.027519 | 5.857777 | 5.820377 | 5.812884 | 5.973534 | 5.974153 | 5.98214 | 5.901521 | 5.858372 | 5.822784 | 5.870183 | 5.837532 | 5.845316 | 5.823969 | 5.829388 | 5.865953 | 6.013571 | 5.902441 | 5.81354 | 5.878716 | 6.055444 | 5.884167 | 5.896525 | 5.854986 | 5.998398 | 5.926178 | 5.985462 | 6.013908 | 5.243371 | 5.612908 | 6.01951 | 5.828043 | 5.464045 | 6.014483 | 5.626086 | 6.023558 | 5.803595 | 5.84186 | 5.849963 | 5.949841 | 6.052165 | 5.851701 | 6.223375 | 5.807445 | 5.542514 | 5.942754 | 5.876176 | 5.889053 | 5.88143 | 5.935307 | 5.88768 | 5.61279 | 6.000776 | 5.88639 | 5.917117 | 5.977903 | 5.808807 | 5.557343 | 5.783991 | 5.868896 | 5.853814 | 5.631737 | 5.978859 | 5.965869 | 5.965756 | 5.786902 | 5.929657 | 6.007834 | 5.958724 | 5.989941 | 5.857861 | 5.800714 | 5.948931 | 5.876697 | 6.021001 | 5.977623 | 5.955134 | 5.917435 | 5.846883 | 5.927019 | 5.369431 | 5.747224 | 5.799615 | 5.801821 | 6.086034 | 5.556869 | 5.832527 | 6.007962 | 6.065398 | 5.962975 | 5.966415 | 5.910997 | 5.871505 | 5.975249 | 5.899164 | 5.85729 | 5.823416 | 6.01866 | 5.848496 | 6.025182 | 5.940133 | 6.043755 | 5.889371 | 6.26584 | 5.934964 | 5.819375 | 5.999108 | 5.74529 | 5.977453 | 5.816527 | 5.803463 | 5.990941 | 5.875309 | 5.927395 | 5.96098 | 5.996904 | 5.865568 | 5.883398 | 6.090754 | 5.985509 | 5.985775 | 6.128624 | 5.993383 | 6.075335 | 5.87897 | 5.864656 | 6.00288 | 5.983346 | 5.842955 | 5.959223 | 5.736462 | 5.892798 | 5.843061 | 5.93435 | 5.288839 | 5.991276 | 5.940398 | 5.914124 | 5.893677 | 5.846289 | 6.052684 | 6.097404 | 5.910004 | 5.911656 | 5.882183 | 5.896949 | 5.563945 | 5.72468 | 5.520632 | 5.674532 | 5.956508 | 5.75022 | 5.990917 | 5.975007 | 6.084155 | 5.964034 | 5.986437 | 5.945882 | 5.924926 | 5.982693 | 5.982859 | 5.937318 | 5.511032 | 5.915611 | 5.926456 | 6.008965 | 5.923945 | 6.110294 | 5.525974 | 5.875971 | 5.910866 | 5.937586 | 6.060513 | 5.917867 | 5.97459 | 5.802363 | 6.037689 | 6.015223 | 5.849644 | 5.876135 | 5.840842 | 5.804399 | 5.898878 | 5.798569 | 5.737117 | 5.953269 | 5.822405 | 5.468641 | 5.932182 | 5.999508 | 5.784067 | 5.709346 | 5.854763 | 5.956723 | 6.121104 | 5.98117 | 5.953809 | 5.944874 | 6.016541 | 5.946623 | 6.039642 | 5.959229 | 5.853059 | 6.023089 | 5.891681 | 5.900281 | 5.8527 | 5.852689 | 5.867869 | 5.93751 | 5.918315 | 5.66494 | 5.945717 | 5.815513 | 5.973471 | 5.87149 | 5.919424 | 5.954739 | 5.503362 | 5.847581 | 5.908976 | 5.961745 | 5.94359 | 5.963811 | 5.245001 | 5.821263 | 5.868548 | 5.99304 | 5.364531 | 5.832844 | 6.045663 | 5.855977 | 5.942055 | 6.109569 | 5.937193 | 5.85487 | 6.024724 | 5.870997 | 5.839713 | 5.911628 | 5.869322 | 5.863802 | 5.89364 | 5.829092 | 5.860585 | 5.824797 | 5.959175 | 5.813201 | 5.865593 | 5.841066 | 6.063861 | 6.088559 | 5.931277 | 5.92048 | 5.560967 | 6.046183 | 5.919269 | 5.783134 | 5.405312 | 5.890968 | 5.26578 | 5.862947 | 6.156756 | 5.865111 | 5.805048 | 5.91441 | 5.910593 | 6.059923 | 5.626064 | 5.9925 | 5.957893 | 5.938395 | 5.851315 | 5.926153 | 5.895411 | 5.921009 | 6.039136 | 5.932266 | 5.868099 | 6.064129 | 5.92124 | 5.853383 | 5.836611 | 5.955775 | 5.870306 | 5.891729 | 5.930336 | 6.125458 | 5.902372 | 5.810271 | 5.505257 | 5.92736 | 5.993444 | 6.007092 | 5.842348 | 5.981048 | 6.060622 | 5.924879 | 5.924997 | 5.942303 | 5.93398 | 5.882373 | 6.04186 | 5.839624 | 6.047286 | 5.942098 | 6.068421 | 5.887314 | 5.319641 | 5.928957 | 5.977298 | 5.868492 | 5.872652 | 5.985794 | 5.915474 | 5.878055 | 5.781157 | 5.781665 | 5.888622 | 6.016946 | 5.872831 | 6.02326 | 5.988733 | 5.935883 | 5.877158 | 6.098899 | 5.990805 | 5.909581 | 6.019552 | 5.865862 | 5.913918 | 5.509674 | 6.093847 | 6.015378 | 5.8836 | 6.001407 | 5.917452 | 5.882041 | 5.66926 | 5.970226 | 5.924202 | 6.015931 | 5.79534 | 5.917648 | 5.802424 | 5.820895 | 5.814856 | 5.980001 | 5.874897 | 5.841504 | 5.893752 | 5.853059 | 5.869417 | 5.876168 | 6.069772 | 5.899817 | 5.954377 | 5.920002 | 5.929883 | 5.983987 | 5.978706 | 5.997398 | 5.906354 | 5.959442 | 5.880514 | 5.98046 | 5.935904 | 5.932154 | 5.79274 | 5.911026 | 5.909738 | 5.890848 | 5.871973 | 5.967247 | 5.88881 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=C][Branch1][Branch1][C][=N][Ring1][Branch1][C][=Branch1][C][=O][C][=C][C] | -0.404677 | Q92630 | P41240 | P08922 | 5.836611 | 6.26584 | 6.223375 |
CC#CC(=O)N1CCC[C@H1]1C2=NC(=C3N2C=CN=C3N)C4=CC=C(C=C4)C(=O)NC=CC=C | 7.712242 | 7.720016 | 7.712821 | 7.715584 | 7.889206 | 7.526896 | 7.809143 | 7.73469 | 7.644457 | 7.614352 | 7.743344 | 7.606339 | 7.594903 | 7.733678 | 7.549148 | 7.416439 | 7.593843 | 7.747647 | 7.624726 | 7.540959 | 7.552064 | 7.544815 | 7.754841 | 7.819961 | 7.537746 | 7.704306 | 7.799118 | 7.793563 | 7.772695 | 7.704854 | 7.724382 | 7.710196 | 7.600188 | 7.483624 | 7.646101 | 7.834918 | 7.78693 | 7.719025 | 7.707563 | 7.532442 | 7.704041 | 7.720056 | 7.889616 | 7.759316 | 7.504401 | 7.609882 | 7.447582 | 7.58033 | 7.641565 | 7.50167 | 7.776819 | 7.737486 | 7.637138 | 7.769036 | 7.631785 | 7.477859 | 7.758099 | 7.670671 | 7.904595 | 7.196303 | 7.649886 | 7.803808 | 7.799951 | 7.430754 | 7.761196 | 7.700319 | 7.704097 | 7.672756 | 7.590188 | 7.824958 | 7.819336 | 7.614598 | 7.286622 | 7.720163 | 7.562718 | 7.606363 | 7.406991 | 7.878495 | 7.621595 | 7.624427 | 7.679575 | 7.463943 | 7.771873 | 7.854654 | 7.743258 | 7.876359 | 7.646476 | 7.557988 | 7.573394 | 7.745911 | 7.514099 | 7.674198 | 7.619766 | 7.610285 | 7.657372 | 7.79316 | 7.683203 | 7.531931 | 7.624897 | 7.453976 | 7.922539 | 7.86563 | 7.604974 | 7.704152 | 7.792752 | 7.705781 | 7.819859 | 7.590978 | 7.616771 | 7.655802 | 7.63256 | 7.626444 | 7.703491 | 7.33282 | 7.636859 | 7.684194 | 7.576492 | 7.791543 | 7.378198 | 7.907127 | 7.655358 | 7.567835 | 7.764718 | 7.722259 | 7.8673 | 7.625353 | 7.61344 | 7.631565 | 7.796844 | 7.675848 | 7.522196 | 7.34529 | 7.688022 | 7.648108 | 7.724986 | 7.892546 | 7.610073 | 7.554577 | 7.86755 | 7.593027 | 7.546519 | 7.575697 | 7.449628 | 7.583016 | 7.64337 | 7.573903 | 7.666353 | 7.769353 | 7.871524 | 7.749714 | 7.555178 | 7.744931 | 7.692883 | 7.625413 | 7.673882 | 7.812087 | 7.715374 | 7.761055 | 7.56279 | 7.479723 | 7.740762 | 7.523692 | 7.464724 | 7.444849 | 7.468976 | 7.518119 | 7.706011 | 7.660277 | 7.620243 | 7.643468 | 7.699703 | 7.746922 | 7.523892 | 7.597123 | 7.644928 | 7.456495 | 7.410624 | 7.622343 | 7.706787 | 7.678174 | 7.74144 | 7.806358 | 7.695762 | 7.706208 | 7.620046 | 7.516602 | 7.710341 | 7.851074 | 7.673626 | 7.487946 | 7.801475 | 7.622041 | 7.647697 | 7.671713 | 7.778399 | 7.734502 | 7.86836 | 7.516556 | 7.836546 | 7.810318 | 7.675366 | 7.618392 | 7.751288 | 7.493419 | 7.701151 | 7.639802 | 7.703633 | 7.415639 | 7.871888 | 7.525537 | 7.80714 | 7.618032 | 7.608074 | 7.708802 | 7.717647 | 7.787986 | 7.642475 | 7.489556 | 7.660713 | 7.696336 | 7.717244 | 7.574636 | 7.768527 | 7.812201 | 7.714869 | 7.932184 | 7.765999 | 7.535856 | 7.784366 | 7.703953 | 7.452077 | 7.737681 | 7.590358 | 7.755922 | 7.635015 | 7.644056 | 7.58319 | 7.520683 | 7.748118 | 7.638411 | 7.421751 | 7.654378 | 7.605101 | 7.724236 | 7.758327 | 7.724956 | 7.541309 | 7.929286 | 7.597784 | 7.645116 | 7.76589 | 7.85881 | 7.658166 | 7.781266 | 7.840056 | 7.626377 | 7.787612 | 7.91595 | 7.72215 | 7.731751 | 7.668999 | 7.961745 | 7.639578 | 7.631102 | 7.764077 | 7.735856 | 7.71111 | 7.73813 | 7.776254 | 7.890132 | 7.773288 | 7.525422 | 7.711612 | 7.698706 | 7.519024 | 7.585192 | 7.543295 | 7.767909 | 7.696515 | 7.774617 | 7.812769 | 7.604656 | 7.700055 | 7.664787 | 7.580503 | 7.622649 | 7.775021 | 7.526354 | 7.67621 | 7.654716 | 7.730603 | 7.882655 | 7.678601 | 7.887426 | 7.488156 | 7.756297 | 7.67415 | 7.693278 | 7.559979 | 7.520785 | 7.819376 | 7.761518 | 8.009733 | 7.747665 | 7.669308 | 7.726401 | 7.730145 | 7.803418 | 7.754735 | 7.754783 | 7.683759 | 7.786471 | 7.772824 | 7.473993 | 7.761738 | 7.679998 | 7.65344 | 7.708595 | 7.759859 | 7.843622 | 7.719801 | 7.847466 | 7.468457 | 7.684502 | 7.602516 | 7.691114 | 7.584569 | 7.773535 | 7.684675 | 7.798707 | 7.780316 | 7.678714 | 7.633914 | 7.711734 | 7.725926 | 7.546694 | 7.680066 | 7.572292 | 7.584535 | 7.794556 | 7.847605 | 7.565233 | 7.889797 | 7.716578 | 7.662762 | 7.709324 | 7.625066 | 7.523634 | 7.521908 | 7.826803 | 7.866612 | 7.7856 | 7.748588 | 7.705531 | 7.63948 | 7.596986 | 7.694726 | 7.844361 | 7.594982 | 7.676754 | 7.71581 | 7.834034 | 7.692358 | 7.562673 | 7.484381 | 7.572411 | 7.654127 | 7.563269 | 7.739426 | 7.828266 | 7.720513 | 7.79377 | 7.926475 | 7.624427 | 7.620794 | 7.627772 | 8.022491 | 7.655115 | 7.739036 | 7.910224 | 7.620129 | 7.660475 | 7.605529 | 7.667003 | 7.692863 | 7.831812 | 7.691458 | 7.703871 | 7.81219 | 7.768008 | 7.657485 | [C][C][#C][C][=Branch1][C][=O][N][C][C][C][C@H1][Ring1][Branch1][C][=N][C][=Branch1][N][=C][N][Ring1][Branch1][C][=C][N][=C][Ring1][=Branch1][N][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C] | -0.43213 | Q92630 | Q9UQB9 | Q96GD4 | 7.559979 | 8.022491 | 8.009733 |
CC#CC(=O)N1CCC[C@H1]1C2=NC(=C3N2C=CN=C3N)C4=CC=C(C=C4)C(=O)NC=CC=CC#N | 7.545497 | 7.501587 | 7.740401 | 7.555691 | 7.720335 | 7.382598 | 7.58281 | 7.698118 | 7.521537 | 7.648648 | 7.525083 | 7.473787 | 7.405804 | 7.467192 | 7.389428 | 7.320879 | 7.527057 | 7.547978 | 7.462893 | 7.34077 | 7.347137 | 7.406487 | 7.544795 | 7.606481 | 7.383397 | 7.588586 | 7.686761 | 7.561305 | 7.556678 | 7.430285 | 7.579207 | 7.578884 | 7.483564 | 7.293494 | 7.556844 | 7.736264 | 7.677016 | 7.648128 | 7.583883 | 7.417116 | 7.494994 | 7.516757 | 7.630711 | 7.583596 | 7.378358 | 7.411588 | 7.431462 | 7.451205 | 7.439303 | 7.4277 | 7.716508 | 7.681526 | 7.430622 | 7.555821 | 7.502396 | 7.437907 | 7.685499 | 7.506312 | 7.809561 | 7.28102 | 7.471877 | 7.66414 | 7.565045 | 7.356628 | 7.532823 | 7.560205 | 7.521202 | 7.493245 | 7.5523 | 7.585471 | 7.638121 | 7.471775 | 7.345486 | 7.715161 | 7.46273 | 7.490868 | 7.370995 | 7.715592 | 7.538918 | 7.491304 | 7.53774 | 7.250556 | 7.641443 | 7.763388 | 7.683472 | 7.741362 | 7.515026 | 7.451015 | 7.403936 | 7.648204 | 7.475411 | 7.502644 | 7.480741 | 7.44535 | 7.614366 | 7.53995 | 7.514821 | 7.367513 | 7.439698 | 7.24801 | 7.85987 | 7.664295 | 7.46822 | 7.579447 | 7.60449 | 7.521703 | 7.579676 | 7.413327 | 7.477197 | 7.473792 | 7.540903 | 7.535852 | 7.62808 | 7.253007 | 7.398463 | 7.491127 | 7.407847 | 7.680399 | 7.125926 | 7.790287 | 7.497421 | 7.468175 | 7.63407 | 7.54367 | 7.728951 | 7.506516 | 7.478925 | 7.492591 | 7.500988 | 7.51118 | 7.474416 | 7.264319 | 7.44451 | 7.442347 | 7.646717 | 7.818489 | 7.46911 | 7.452691 | 7.8469 | 7.448531 | 7.39497 | 7.456912 | 7.448674 | 7.543913 | 7.516665 | 7.440706 | 7.558628 | 7.621238 | 7.712288 | 7.509741 | 7.37361 | 7.644276 | 7.495023 | 7.418892 | 7.554286 | 7.59965 | 7.710846 | 7.724013 | 7.355596 | 7.361374 | 7.584026 | 7.327157 | 7.311755 | 7.244851 | 7.311665 | 7.411223 | 7.627646 | 7.42781 | 7.511474 | 7.527488 | 7.627102 | 7.526183 | 7.387755 | 7.440063 | 7.491495 | 7.3476 | 7.299726 | 7.49631 | 7.581838 | 7.566195 | 7.622386 | 7.676602 | 7.501262 | 7.666193 | 7.583035 | 7.468203 | 7.548887 | 7.667625 | 7.5269 | 7.36962 | 7.663762 | 7.485585 | 7.590975 | 7.479211 | 7.685927 | 7.49936 | 7.653254 | 7.500038 | 7.652936 | 7.599927 | 7.641335 | 7.520093 | 7.565001 | 7.43289 | 7.640473 | 7.445147 | 7.583224 | 7.297999 | 7.729481 | 7.476955 | 7.638239 | 7.602936 | 7.563883 | 7.597401 | 7.563897 | 7.625951 | 7.424151 | 7.32516 | 7.520861 | 7.599034 | 7.61095 | 7.405025 | 7.646383 | 7.703556 | 7.556744 | 7.756595 | 7.543239 | 7.413757 | 7.674025 | 7.461068 | 7.317151 | 7.555601 | 7.458444 | 7.615036 | 7.581841 | 7.566454 | 7.461505 | 7.383523 | 7.575131 | 7.505774 | 7.310527 | 7.46215 | 7.48019 | 7.660351 | 7.450567 | 7.535747 | 7.421119 | 7.667457 | 7.488959 | 7.608461 | 7.610888 | 7.645189 | 7.437136 | 7.58443 | 7.624532 | 7.584236 | 7.686292 | 7.666368 | 7.434227 | 7.688698 | 7.461085 | 7.727238 | 7.539608 | 7.582926 | 7.652183 | 7.534115 | 7.524077 | 7.554993 | 7.557691 | 7.7494 | 7.617126 | 7.523263 | 7.557269 | 7.662548 | 7.471129 | 7.524509 | 7.362249 | 7.569091 | 7.631328 | 7.619271 | 7.664538 | 7.545279 | 7.560685 | 7.59793 | 7.536686 | 7.51362 | 7.586758 | 7.394027 | 7.604103 | 7.554121 | 7.54329 | 7.698676 | 7.595607 | 7.702574 | 7.402735 | 7.615198 | 7.582962 | 7.431621 | 7.55349 | 7.35576 | 7.723792 | 7.574296 | 7.788825 | 7.617241 | 7.587555 | 7.599035 | 7.53787 | 7.565163 | 7.636259 | 7.623226 | 7.56283 | 7.666356 | 7.664002 | 7.370288 | 7.635317 | 7.499833 | 7.487687 | 7.560934 | 7.547496 | 7.637515 | 7.685586 | 7.650722 | 7.357469 | 7.527711 | 7.449286 | 7.573429 | 7.353606 | 7.634282 | 7.612354 | 7.625228 | 7.570577 | 7.524113 | 7.547535 | 7.578819 | 7.621959 | 7.567157 | 7.573386 | 7.576391 | 7.352711 | 7.591926 | 7.68291 | 7.417205 | 7.679049 | 7.544551 | 7.561315 | 7.680934 | 7.477373 | 7.407554 | 7.475826 | 7.737904 | 7.727096 | 7.683634 | 7.665605 | 7.628552 | 7.495426 | 7.550836 | 7.54424 | 7.74544 | 7.558006 | 7.526443 | 7.560651 | 7.629694 | 7.559274 | 7.414627 | 7.262502 | 7.435156 | 7.471892 | 7.379523 | 7.616148 | 7.772547 | 7.549487 | 7.601528 | 7.829811 | 7.448581 | 7.439536 | 7.497489 | 7.885257 | 7.602403 | 7.563704 | 7.780093 | 7.547146 | 7.437315 | 7.371438 | 7.503145 | 7.634256 | 7.607064 | 7.520073 | 7.622592 | 7.656638 | 7.709684 | 7.473854 | [C][C][#C][C][=Branch1][C][=O][N][C][C][C][C@H1][Ring1][Branch1][C][=N][C][=Branch1][N][=C][N][Ring1][Branch1][C][=C][N][=C][Ring1][=Branch1][N][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][#N] | -0.320107 | Q92630 | Q9UQB9 | P29376 | 7.55349 | 7.885257 | 7.85987 |
CN(C)C/C=C/C(=O)NC1=CC=C(C=C1O[C@H1]2CCOC2)N | 6.102442 | 5.724926 | 6.483115 | 5.965601 | 6.421603 | 6.014866 | 6.697752 | 6.460946 | 5.540372 | 5.466577 | 6.372 | 6.050918 | 5.1158 | 6.32752 | 5.488344 | 5.68257 | 6.189967 | 6.354646 | 6.0298 | 6.029022 | 6.058593 | 6.136796 | 6.120866 | 6.590158 | 6.31934 | 6.180402 | 6.586103 | 6.085207 | 6.234742 | 6.087708 | 6.419066 | 6.124111 | 6.01391 | 5.790568 | 6.594685 | 6.557508 | 6.321454 | 6.05764 | 6.075109 | 5.878513 | 6.148747 | 6.136825 | 6.376812 | 7.213619 | 5.144264 | 5.826518 | 4.576185 | 6.003854 | 5.58033 | 5.828485 | 5.707779 | 7.133694 | 6.039242 | 6.21289 | 6.738547 | 5.025048 | 5.967334 | 6.211116 | 6.457541 | 5.714955 | 6.041192 | 6.183577 | 5.950327 | 6.115925 | 6.593256 | 6.720264 | 6.420175 | 5.694513 | 5.063984 | 5.967977 | 6.112969 | 5.443669 | 6.260921 | 5.755641 | 6.042065 | 5.059372 | 5.988526 | 6.231327 | 5.935198 | 6.003018 | 6.118998 | 5.963062 | 6.474095 | 7.021761 | 6.254129 | 6.961654 | 5.077209 | 4.85514 | 6.583644 | 6.084647 | 5.948265 | 6.165151 | 5.922134 | 5.872415 | 6.465631 | 5.948584 | 6.028664 | 6.034555 | 5.78159 | 5.61575 | 6.130419 | 6.408148 | 6.297585 | 5.890903 | 6.290546 | 6.339749 | 6.625696 | 6.029695 | 6.332319 | 6.153543 | 6.054138 | 6.053973 | 5.829741 | 6.238846 | 5.452639 | 6.260852 | 5.992641 | 5.929044 | 5.995309 | 6.094943 | 4.880105 | 5.594661 | 5.9744 | 6.205264 | 6.561461 | 6.177127 | 5.941225 | 5.958572 | 6.229126 | 6.709846 | 5.783726 | 5.782296 | 6.500082 | 6.223975 | 5.989513 | 6.71205 | 5.402375 | 6.18899 | 6.572955 | 6.033001 | 5.641459 | 5.26652 | 6.182687 | 6.60153 | 6.024156 | 6.037794 | 6.186892 | 6.052192 | 6.502871 | 5.922371 | 6.056923 | 6.508889 | 6.066244 | 6.120319 | 5.009456 | 6.317923 | 6.358037 | 6.528948 | 5.565017 | 5.247935 | 6.356173 | 5.782046 | 5.403785 | 5.253622 | 4.937322 | 5.676857 | 6.544318 | 6.012948 | 5.722859 | 6.190333 | 5.415242 | 6.212867 | 5.919035 | 5.925147 | 6.189528 | 5.917405 | 5.709611 | 5.913816 | 6.069441 | 6.932456 | 6.09162 | 5.697809 | 6.509294 | 6.331092 | 5.044762 | 5.270191 | 5.892606 | 6.496837 | 5.318806 | 5.910086 | 6.431527 | 6.320597 | 6.228999 | 6.041032 | 6.259382 | 6.568711 | 6.22198 | 6.126743 | 6.626125 | 6.197357 | 6.808864 | 5.988529 | 6.155956 | 6.024027 | 5.636046 | 5.979875 | 6.17567 | 5.930137 | 6.402523 | 6.065851 | 6.249168 | 5.508298 | 5.938325 | 6.046052 | 6.632308 | 6.236528 | 5.856365 | 6.157576 | 5.949198 | 6.095191 | 6.173292 | 6.081155 | 5.934292 | 6.087078 | 6.033097 | 6.48316 | 6.343858 | 5.77804 | 6.885444 | 5.882394 | 5.674955 | 6.200142 | 5.624878 | 7.003639 | 5.280042 | 5.926107 | 5.988326 | 6.047496 | 6.115099 | 6.490538 | 4.71073 | 6.178794 | 5.817154 | 6.28187 | 5.672085 | 6.19269 | 6.028255 | 6.626224 | 6.015298 | 7.039925 | 6.074747 | 6.619487 | 6.080324 | 6.38092 | 6.331422 | 5.998598 | 6.65937 | 6.118644 | 6.053256 | 6.099092 | 6.124474 | 6.426764 | 6.098917 | 6.214567 | 6.420503 | 6.105793 | 6.36283 | 6.666168 | 6.595276 | 6.620239 | 6.117522 | 6.482485 | 6.324145 | 6.469782 | 4.852314 | 6.0445 | 5.647186 | 6.293293 | 6.552386 | 6.08855 | 6.352743 | 6.205122 | 6.239753 | 6.391845 | 5.695096 | 5.723446 | 6.671199 | 6.066368 | 6.293731 | 6.161161 | 6.268084 | 6.237736 | 6.431266 | 6.22363 | 6.063023 | 6.542691 | 6.346432 | 6.066138 | 6.455745 | 5.899922 | 6.692702 | 6.117282 | 6.174662 | 6.46951 | 6.145628 | 6.141193 | 5.945373 | 6.145309 | 6.287693 | 6.077764 | 5.934695 | 6.310865 | 6.733454 | 6.030029 | 6.593798 | 6.312228 | 6.124322 | 6.07266 | 6.240674 | 6.276505 | 6.158825 | 6.57446 | 5.439979 | 6.025132 | 6.007516 | 5.835773 | 6.243601 | 6.235507 | 5.977244 | 6.159108 | 6.222763 | 6.254717 | 6.060018 | 6.380578 | 6.522122 | 6.541305 | 6.35097 | 6.585344 | 6.363263 | 5.87349 | 6.16627 | 6.254735 | 6.224817 | 5.878467 | 6.1293 | 4.910128 | 6.072212 | 6.015029 | 5.083448 | 6.27958 | 6.403172 | 6.231974 | 6.418624 | 6.503028 | 5.141346 | 6.122609 | 6.074466 | 6.36314 | 6.098352 | 6.206847 | 6.085244 | 6.454431 | 6.090229 | 6.461061 | 5.922883 | 6.337276 | 6.008224 | 5.700503 | 6.257053 | 6.65443 | 6.36358 | 6.658122 | 6.226063 | 6.22646 | 5.831711 | 5.850547 | 6.212749 | 5.75726 | 5.850624 | 6.733383 | 6.175045 | 6.06132 | 6.391685 | 6.633948 | 6.565473 | 6.069103 | 6.003782 | 6.322794 | 6.372955 | 5.017715 | 5.624076 | [C][N][Branch1][C][C][C][/C][=C][/C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=N][C][=C][Ring1][=Branch1][O][C@H1][C][C][O][C][Ring1][Branch1][N] | -0.639823 | Q92630 | P04629 | P07333 | 6.455745 | 7.213619 | 7.133694 |
CC(C)C1=CC=CC(=N1)NC2=CC=NC(=N2)N | 6.014824 | 5.627618 | 7.558035 | 6.393586 | 6.169331 | 5.620164 | 5.986092 | 5.551335 | 7.303658 | 5.67884 | 6.111063 | 7.143323 | 5.195154 | 6.947148 | 6.007096 | 5.171062 | 6.891409 | 6.379653 | 5.24093 | 5.511216 | 6.44101 | 6.459408 | 6.342912 | 6.949359 | 6.420759 | 5.598093 | 6.587344 | 6.267093 | 5.482104 | 6.615817 | 6.243648 | 6.55293 | 7.324954 | 5.357102 | 6.47266 | 6.197927 | 6.288642 | 5.328728 | 6.98346 | 5.209039 | 6.859261 | 5.578556 | 6.145477 | 6.941965 | 5.115477 | 5.56552 | 5.890404 | 6.140534 | 5.382918 | 6.147749 | 5.931919 | 6.574963 | 5.468723 | 5.186091 | 5.870881 | 5.67106 | 7.156311 | 5.210464 | 6.741149 | 5.743439 | 5.466203 | 7.015408 | 5.284346 | 6.476041 | 7.074974 | 6.753379 | 5.58368 | 5.590819 | 5.705598 | 5.812604 | 7.695441 | 6.614121 | 6.258654 | 6.130921 | 5.529593 | 6.972591 | 6.870648 | 7.040705 | 7.217815 | 6.488836 | 6.778371 | 5.052141 | 6.466231 | 6.96455 | 5.758618 | 5.738828 | 6.987467 | 6.641745 | 6.644798 | 5.886704 | 6.345202 | 7.145097 | 5.404379 | 6.285118 | 5.70322 | 6.049791 | 5.19095 | 5.232247 | 4.971659 | 4.979675 | 6.76241 | 7.114322 | 5.675495 | 4.838527 | 5.593925 | 7.087738 | 5.11347 | 7.2221 | 5.544592 | 7.258454 | 6.720244 | 6.289786 | 5.585804 | 6.699006 | 5.110402 | 6.164499 | 5.41647 | 6.185881 | 5.189569 | 5.992194 | 5.496203 | 6.870653 | 7.005029 | 5.619947 | 6.457281 | 5.856182 | 5.474394 | 7.00467 | 6.929214 | 7.056027 | 6.089612 | 5.861889 | 5.735642 | 5.998188 | 5.577467 | 7.144816 | 6.808374 | 7.382198 | 6.903366 | 7.365748 | 6.819155 | 6.400164 | 6.923625 | 6.838141 | 5.803242 | 5.942822 | 5.305118 | 7.41604 | 5.606324 | 5.786481 | 6.263178 | 6.663022 | 6.811036 | 5.73973 | 4.86235 | 6.309803 | 6.039964 | 7.061727 | 5.191633 | 5.555484 | 5.262487 | 5.064913 | 4.98712 | 4.973537 | 4.983452 | 5.063856 | 6.252629 | 5.182384 | 6.82424 | 7.074162 | 5.87265 | 6.495083 | 6.295387 | 6.304173 | 6.616418 | 6.474452 | 6.845008 | 6.035015 | 5.388306 | 5.654035 | 6.801645 | 6.543472 | 6.281344 | 6.80791 | 5.352193 | 6.73355 | 5.798269 | 6.884784 | 6.254579 | 6.330424 | 6.936019 | 6.273557 | 5.511557 | 5.335659 | 5.291362 | 6.190157 | 6.049457 | 6.499264 | 5.851068 | 5.478624 | 6.048572 | 7.296525 | 5.086991 | 6.361029 | 5.486563 | 6.350086 | 6.077516 | 5.783066 | 6.944861 | 7.143567 | 6.153807 | 5.680167 | 5.928842 | 6.423891 | 7.58819 | 6.160383 | 5.576401 | 6.639331 | 6.121712 | 7.041172 | 6.292568 | 5.842234 | 5.569448 | 5.740415 | 5.878916 | 7.196733 | 6.721474 | 5.035773 | 7.264321 | 5.458611 | 5.465638 | 5.906891 | 7.326342 | 5.82292 | 5.144125 | 6.385833 | 5.342616 | 6.071024 | 6.331669 | 5.053565 | 5.756242 | 6.639716 | 6.972589 | 6.424772 | 5.603456 | 5.72896 | 5.47727 | 6.632701 | 6.237833 | 6.705486 | 6.716349 | 6.600857 | 4.971901 | 5.739126 | 5.831775 | 6.694258 | 6.832208 | 6.508636 | 6.199233 | 6.268657 | 6.261157 | 7.078018 | 7.227268 | 5.7118 | 6.540534 | 6.459903 | 6.939123 | 6.605016 | 6.713838 | 7.496442 | 5.245112 | 7.006891 | 5.575423 | 6.051758 | 5.896282 | 5.709079 | 6.367085 | 6.115195 | 6.847812 | 6.198546 | 6.22959 | 6.75472 | 6.461154 | 5.752261 | 7.000384 | 6.782851 | 6.749919 | 6.93033 | 6.363959 | 6.340285 | 6.074647 | 6.460019 | 6.505507 | 6.972193 | 5.865994 | 6.688865 | 6.402873 | 6.05768 | 6.675642 | 5.880267 | 5.804338 | 6.426001 | 6.102952 | 7.171775 | 6.292845 | 5.5033 | 5.004094 | 5.996463 | 7.061477 | 6.178658 | 6.082603 | 6.949693 | 7.216657 | 6.992564 | 6.493674 | 4.99109 | 7.507372 | 5.534485 | 5.711893 | 6.734619 | 6.987114 | 6.186765 | 7.086034 | 6.594081 | 5.022369 | 6.483599 | 6.356914 | 5.362913 | 6.719316 | 7.491338 | 6.585015 | 6.017355 | 5.17609 | 6.801009 | 6.53192 | 7.192781 | 5.04657 | 7.185299 | 6.575354 | 6.89736 | 6.942711 | 7.343719 | 7.207113 | 5.971443 | 6.24523 | 5.379019 | 5.727449 | 6.818297 | 6.987181 | 6.654737 | 6.772863 | 6.780551 | 6.485966 | 6.764436 | 5.55264 | 6.23288 | 7.23445 | 6.768458 | 5.643378 | 5.926238 | 5.316932 | 6.246574 | 5.768581 | 6.53196 | 6.198915 | 6.636618 | 5.538842 | 5.435801 | 6.481966 | 6.49397 | 6.66452 | 6.661405 | 6.97061 | 7.054696 | 5.933736 | 6.92199 | 6.61334 | 6.267128 | 4.985471 | 7.221279 | 5.802917 | 5.99001 | 6.789401 | 7.003067 | 5.780127 | 6.676029 | 5.358609 | 5.193896 | 5.775409 | 5.539139 | 4.990755 | [C][C][Branch1][C][C][C][=C][C][=C][C][=Branch1][Ring2][=N][Ring1][=Branch1][N][C][=C][C][=N][C][=Branch1][Ring2][=N][Ring1][=Branch1][N] | -0.769785 | Q92630 | P15735 | Q13627 | 6.675642 | 7.695441 | 7.58819 |
CN1CCN(CC1)C2=CC=C(C=C2F)NC=NC=CC=C | 6.151038 | 6.296425 | 6.916811 | 6.243784 | 6.572246 | 6.335001 | 6.402741 | 6.38895 | 6.344144 | 6.258743 | 6.286363 | 6.144559 | 6.155224 | 6.350213 | 6.105255 | 6.073848 | 6.243224 | 6.365371 | 6.235155 | 6.296035 | 6.259282 | 6.242121 | 6.297704 | 6.354947 | 6.124906 | 6.182871 | 6.441748 | 6.262896 | 6.271939 | 6.271876 | 6.426783 | 6.243472 | 6.281932 | 6.21223 | 6.363404 | 6.457905 | 6.396642 | 6.218068 | 6.259914 | 6.261479 | 6.42248 | 6.301978 | 6.525923 | 6.913167 | 5.806823 | 6.155686 | 5.822901 | 6.212712 | 6.097301 | 6.216427 | 6.336184 | 6.712368 | 6.187782 | 6.262753 | 6.30267 | 5.989372 | 6.353806 | 6.260941 | 6.41363 | 6.195647 | 6.183524 | 6.355274 | 6.188737 | 6.356074 | 6.235949 | 6.39392 | 6.352221 | 6.196418 | 6.006272 | 6.241025 | 6.289788 | 6.268558 | 6.365488 | 6.237699 | 6.171418 | 6.057855 | 6.226183 | 6.353572 | 6.371195 | 6.325816 | 6.246948 | 6.019925 | 6.423357 | 6.612044 | 6.257194 | 6.382328 | 5.985712 | 6.060373 | 6.256618 | 6.186057 | 6.230484 | 6.229979 | 6.232351 | 6.280557 | 6.24546 | 6.290356 | 6.205181 | 6.139452 | 6.17404 | 5.961534 | 6.622525 | 6.46074 | 6.292004 | 6.204622 | 6.285211 | 6.2882 | 6.365689 | 6.264488 | 6.306096 | 6.235174 | 6.249807 | 6.282343 | 6.324128 | 6.445489 | 6.295096 | 6.359733 | 6.324826 | 6.401201 | 6.0583 | 6.480964 | 6.027945 | 6.06425 | 6.439359 | 6.309814 | 6.55337 | 6.33749 | 6.178424 | 6.244997 | 6.348792 | 6.438815 | 6.228611 | 6.209792 | 6.219741 | 6.396933 | 6.254606 | 6.514065 | 6.184356 | 6.325598 | 6.433469 | 6.326207 | 6.056943 | 5.856957 | 6.111259 | 6.346212 | 6.158434 | 6.221928 | 6.319157 | 6.363667 | 6.418845 | 6.227357 | 6.14869 | 6.293873 | 6.367038 | 6.33513 | 6.246455 | 6.265992 | 6.360131 | 6.383273 | 6.198077 | 6.162939 | 6.199087 | 6.146143 | 6.095634 | 5.832129 | 5.699286 | 6.122147 | 6.556014 | 6.238873 | 6.379466 | 6.483031 | 6.262154 | 6.242831 | 6.215684 | 6.144685 | 6.236799 | 6.257046 | 6.184011 | 6.142252 | 6.282594 | 6.44021 | 6.23508 | 6.225669 | 6.329054 | 6.391735 | 6.23158 | 5.701777 | 6.160163 | 6.530973 | 6.319701 | 6.140377 | 6.474969 | 6.22325 | 6.491313 | 6.310734 | 6.320133 | 6.330898 | 6.386523 | 6.381114 | 6.386646 | 6.259807 | 6.283212 | 6.287761 | 6.287174 | 6.291457 | 6.234015 | 6.334113 | 6.169876 | 6.062262 | 6.328552 | 6.220197 | 6.369474 | 6.249609 | 6.275985 | 6.297717 | 6.465857 | 6.327055 | 6.301323 | 6.321084 | 6.294905 | 6.380847 | 6.252378 | 6.347733 | 6.338657 | 6.293469 | 6.276382 | 6.447353 | 6.5771 | 5.880479 | 6.48244 | 6.230497 | 6.114022 | 6.233725 | 6.14279 | 6.656756 | 5.758661 | 6.071063 | 6.113472 | 6.177648 | 6.269296 | 6.301218 | 5.539699 | 6.278397 | 6.222097 | 6.291049 | 6.082942 | 6.294661 | 6.306676 | 6.41521 | 6.277334 | 6.559963 | 6.269075 | 6.414591 | 6.317313 | 6.407506 | 6.309096 | 6.210934 | 6.355763 | 6.197618 | 6.222912 | 6.280146 | 6.218372 | 6.377522 | 6.238109 | 6.196066 | 6.343741 | 6.215599 | 6.379939 | 6.355512 | 6.407815 | 6.439005 | 6.13768 | 6.444631 | 6.245794 | 6.346589 | 5.798534 | 6.265977 | 6.138198 | 6.303184 | 6.476891 | 6.19243 | 6.266646 | 6.302426 | 6.296583 | 6.246925 | 6.2987 | 6.379037 | 6.50252 | 6.227484 | 6.359659 | 6.277912 | 6.270234 | 6.421266 | 6.343096 | 6.364693 | 6.205466 | 6.316785 | 6.50983 | 6.272445 | 6.346341 | 6.24573 | 6.579695 | 6.159245 | 6.312952 | 6.353362 | 6.278358 | 6.167856 | 6.259786 | 6.218856 | 6.29725 | 6.356174 | 6.244436 | 6.487829 | 6.420795 | 6.394383 | 6.47995 | 6.307656 | 6.244091 | 6.347107 | 6.602573 | 6.24812 | 6.321043 | 6.586333 | 6.196624 | 6.309455 | 6.25371 | 6.180272 | 6.276335 | 6.236186 | 6.242661 | 6.294099 | 6.303467 | 6.274532 | 6.134501 | 6.378428 | 6.421283 | 6.480071 | 6.393956 | 6.481447 | 6.286956 | 6.36644 | 6.287534 | 6.396667 | 6.367899 | 6.127846 | 6.328097 | 6.019302 | 6.31847 | 6.178998 | 6.45474 | 6.430532 | 6.344976 | 6.303236 | 6.399997 | 6.309113 | 6.084332 | 6.259098 | 6.284789 | 6.344003 | 6.167451 | 6.48562 | 6.20241 | 6.486681 | 6.285957 | 6.285237 | 6.113884 | 6.25772 | 6.139721 | 6.291028 | 6.243797 | 6.532043 | 6.363408 | 6.435339 | 6.702245 | 6.410383 | 6.195761 | 6.217359 | 6.334833 | 6.355454 | 6.231327 | 6.493974 | 6.203104 | 6.329605 | 6.3199 | 6.431081 | 6.339207 | 6.305118 | 6.349686 | 6.375641 | 6.505038 | 6.103982 | 6.216255 | [C][N][C][C][N][Branch1][Branch1][C][C][Ring1][=Branch1][C][=C][C][=C][Branch1][=Branch1][C][=C][Ring1][=Branch1][F][N][C][=N][C][=C][C][=C] | -0.515704 | Q92630 | O00311 | P04629 | 6.346341 | 6.916811 | 6.913167 |
CCN1CCN(CC1)CC2=CC=C(N=C2)NC3=NC=CC(=N3)C4=CC5=C(C(=C4)F)N=CN5C | 7.748968 | 7.912434 | 8.072481 | 7.841292 | 7.847998 | 7.836761 | 7.851647 | 7.836659 | 7.863124 | 7.772411 | 7.530979 | 8.018894 | 7.461507 | 7.893391 | 7.953599 | 7.62272 | 7.886612 | 7.645903 | 7.758988 | 7.673065 | 7.831944 | 7.597114 | 7.737313 | 8.189655 | 7.696886 | 7.896165 | 7.740031 | 7.762282 | 7.792639 | 7.842114 | 7.989492 | 7.995767 | 7.818877 | 7.91383 | 7.6901 | 7.791232 | 7.957882 | 7.660223 | 7.902408 | 7.753655 | 7.941343 | 8.071796 | 7.931804 | 7.964342 | 7.379632 | 7.459134 | 7.860087 | 7.879704 | 7.800564 | 7.853691 | 7.770665 | 7.885011 | 7.815256 | 7.77665 | 7.744638 | 7.739371 | 8.077331 | 7.958591 | 8.003994 | 7.817883 | 7.783964 | 8.012377 | 8.011591 | 7.728672 | 8.057519 | 7.940793 | 8.005842 | 7.822783 | 8.101041 | 8.04981 | 8.031552 | 7.797534 | 7.726711 | 7.64255 | 7.675449 | 7.90864 | 7.794514 | 8.070057 | 8.011759 | 7.710231 | 7.817829 | 7.886429 | 7.930466 | 7.884587 | 7.931592 | 8.010973 | 7.933189 | 7.815849 | 7.947551 | 7.859161 | 7.805625 | 7.918232 | 7.858507 | 7.889681 | 7.779432 | 7.994544 | 7.843366 | 7.978233 | 7.799338 | 7.892553 | 7.902722 | 8.003198 | 7.780409 | 7.830884 | 7.877996 | 7.814859 | 8.175589 | 7.81067 | 7.810772 | 7.916525 | 7.895615 | 7.830591 | 7.891416 | 7.887465 | 7.81374 | 7.807745 | 7.811198 | 7.955557 | 7.965439 | 8.025974 | 7.903149 | 7.990005 | 8.073371 | 7.675526 | 7.854221 | 7.821823 | 7.718912 | 7.906933 | 7.847558 | 7.949243 | 7.781491 | 7.634707 | 7.745426 | 7.88668 | 8.018345 | 7.982677 | 7.900158 | 7.865038 | 8.00422 | 7.868633 | 7.782304 | 7.702791 | 7.920606 | 7.829829 | 7.942561 | 7.819211 | 7.938332 | 8.00355 | 7.976643 | 7.935505 | 7.668909 | 8.067602 | 7.902564 | 7.906242 | 7.645799 | 7.542088 | 7.794234 | 7.944458 | 7.738918 | 7.597153 | 7.894109 | 7.874545 | 7.767312 | 7.831958 | 7.845118 | 7.806314 | 7.883439 | 7.729433 | 7.96208 | 7.924337 | 7.871258 | 7.961943 | 7.714481 | 7.856864 | 7.85043 | 7.773854 | 7.707881 | 7.843486 | 7.921341 | 7.914834 | 7.934829 | 7.935537 | 7.915913 | 7.95138 | 7.713458 | 7.966221 | 7.669496 | 8.067984 | 7.941278 | 7.800256 | 7.875715 | 7.798946 | 7.765893 | 8.010417 | 7.720822 | 7.82752 | 7.694545 | 7.641543 | 7.948578 | 7.787646 | 7.900006 | 7.842008 | 7.767648 | 7.644026 | 7.755606 | 7.713128 | 7.615012 | 7.46197 | 7.835581 | 7.787457 | 7.945283 | 7.80569 | 7.78766 | 7.824378 | 7.843997 | 7.900208 | 7.960467 | 7.900467 | 7.533915 | 8.073257 | 7.669042 | 7.828503 | 7.859501 | 8.133298 | 7.882855 | 8.020695 | 7.900494 | 7.942239 | 8.137601 | 7.899661 | 7.624594 | 7.768158 | 7.911351 | 8.097684 | 7.499778 | 7.740483 | 7.635284 | 7.809632 | 7.800348 | 7.851179 | 7.701289 | 7.748621 | 7.894789 | 7.806768 | 7.577744 | 7.766158 | 7.849477 | 7.946854 | 7.783733 | 7.998603 | 7.886356 | 8.001109 | 7.932399 | 7.90488 | 7.978635 | 7.64195 | 7.97946 | 8.036956 | 8.01579 | 7.673228 | 7.854301 | 7.819387 | 7.856598 | 7.822678 | 7.756722 | 7.916683 | 8.001894 | 7.938482 | 7.933967 | 7.951183 | 7.586211 | 7.797836 | 7.486659 | 7.592337 | 7.731059 | 7.790164 | 7.761868 | 7.97929 | 7.975964 | 8.126713 | 7.830675 | 7.863944 | 7.683731 | 7.964606 | 7.780335 | 7.961951 | 7.824562 | 7.923804 | 7.943542 | 7.938016 | 7.943398 | 8.125985 | 7.977567 | 8.067896 | 7.722018 | 7.969508 | 7.697704 | 7.843735 | 7.733261 | 7.835997 | 7.89674 | 8.009558 | 7.941395 | 8.048719 | 7.914626 | 7.689044 | 7.66821 | 8.04376 | 7.959888 | 8.012259 | 7.980507 | 7.915537 | 8.105618 | 7.807621 | 7.910122 | 7.935635 | 7.832119 | 7.968021 | 7.81651 | 7.814116 | 8.04838 | 8.071882 | 7.83019 | 7.957947 | 7.535699 | 7.809299 | 7.716665 | 7.772223 | 7.905333 | 8.173674 | 7.883426 | 7.817029 | 7.61233 | 7.934745 | 7.757133 | 7.828266 | 7.828133 | 7.843362 | 7.734348 | 7.791117 | 8.008778 | 7.837504 | 8.123508 | 7.874023 | 8.020276 | 7.883292 | 7.654301 | 7.61199 | 7.867214 | 7.882605 | 8.187714 | 7.936781 | 7.854152 | 7.923712 | 7.731444 | 8.006677 | 7.914161 | 7.994401 | 7.808235 | 7.841612 | 7.673716 | 7.888056 | 7.860237 | 7.638674 | 7.765612 | 7.798429 | 8.129354 | 7.843899 | 7.711267 | 7.79283 | 8.002337 | 7.809506 | 7.842305 | 7.868327 | 7.711867 | 7.939379 | 7.850101 | 7.804483 | 7.832238 | 8.003059 | 7.88391 | 7.83112 | 7.640833 | 7.669416 | 7.528778 | 7.962894 | 7.877879 | 7.87754 | 7.878949 | 7.875757 | 7.834749 | [C][C][N][C][C][N][Branch1][Branch1][C][C][Ring1][=Branch1][C][C][=C][C][=C][Branch1][Branch1][N][=C][Ring1][=Branch1][N][C][=N][C][=C][C][=Branch1][Ring2][=N][Ring1][=Branch1][C][=C][C][=C][Branch1][Branch2][C][=Branch1][Ring2][=C][Ring1][=Branch1][F][N][=C][N][Ring1][Branch2][C] | -0.427141 | Q92630 | O60307 | Q9NRP7 | 7.733261 | 8.189655 | 8.187714 |
CCCS(=O)(=O)NC1CC(C1)N(C)C2=C3C=C[NH1]C3=NC=N2 | 6.619571 | 6.407962 | 7.281608 | 6.363272 | 6.854982 | 6.719944 | 6.644172 | 6.589849 | 6.878623 | 6.524637 | 6.627567 | 6.897733 | 6.26203 | 6.621335 | 6.17566 | 5.256109 | 6.694736 | 6.841459 | 6.470709 | 6.520179 | 6.772492 | 6.771426 | 6.494367 | 6.884564 | 6.747095 | 6.678041 | 6.745048 | 6.705383 | 6.343266 | 6.63536 | 6.703441 | 6.815594 | 6.863362 | 6.6457 | 6.648639 | 6.626055 | 6.902197 | 6.424859 | 6.57663 | 6.778836 | 6.751834 | 6.763226 | 6.827195 | 6.851513 | 5.076152 | 6.117865 | 6.188991 | 6.443788 | 6.40417 | 6.68923 | 6.755761 | 6.220606 | 6.870239 | 6.601725 | 6.461433 | 6.252092 | 6.07593 | 6.615192 | 6.831594 | 6.138927 | 6.605484 | 6.67291 | 6.776845 | 5.470274 | 6.683183 | 6.573713 | 6.689052 | 6.726771 | 6.3277 | 6.696905 | 6.79166 | 6.833644 | 6.250724 | 6.640794 | 6.038726 | 6.712499 | 5.412718 | 6.561065 | 7.006492 | 6.742499 | 6.938217 | 6.780285 | 6.782105 | 6.935771 | 6.594808 | 6.376158 | 6.75841 | 6.586768 | 6.745451 | 6.706924 | 7.088856 | 6.91467 | 6.76878 | 6.628823 | 6.590259 | 6.541144 | 6.633461 | 6.897762 | 6.613896 | 6.517292 | 6.514959 | 6.780251 | 6.504502 | 6.251475 | 6.564259 | 6.358462 | 7.216077 | 6.725158 | 6.653286 | 6.971659 | 6.482194 | 5.476447 | 6.864955 | 6.289118 | 5.566118 | 6.406164 | 6.018604 | 6.732332 | 5.858641 | 6.694307 | 6.535778 | 5.384408 | 6.769763 | 6.765048 | 6.816482 | 6.874756 | 6.311368 | 6.722042 | 6.425385 | 6.707391 | 6.861207 | 6.717581 | 6.691109 | 6.772607 | 5.470791 | 6.742803 | 6.545353 | 7.01096 | 6.755093 | 7.123179 | 6.977953 | 6.846673 | 6.747006 | 6.638445 | 6.31968 | 6.784614 | 6.618356 | 6.732485 | 6.892533 | 6.556657 | 6.624916 | 6.82164 | 6.45851 | 6.865239 | 6.40831 | 6.770592 | 6.799215 | 7.10253 | 5.959942 | 6.621141 | 6.666142 | 6.088272 | 6.47021 | 5.489028 | 6.377719 | 6.631041 | 6.666003 | 6.032924 | 6.909532 | 6.682988 | 6.075906 | 6.866428 | 6.8082 | 6.799119 | 6.750064 | 6.478927 | 6.681867 | 6.029727 | 6.85342 | 6.626297 | 6.878726 | 6.80625 | 6.688067 | 6.770689 | 5.985677 | 5.067664 | 6.542653 | 6.894773 | 6.377298 | 6.587101 | 6.743719 | 6.659343 | 6.635253 | 6.70434 | 6.509243 | 6.763139 | 6.74391 | 6.693056 | 6.701535 | 6.457649 | 6.894217 | 6.8359 | 6.133122 | 6.60813 | 6.631023 | 6.709836 | 6.772005 | 6.560884 | 6.796123 | 6.906644 | 6.627118 | 5.231057 | 5.562496 | 6.364882 | 7.038614 | 6.83594 | 6.583129 | 6.689579 | 6.541374 | 6.911435 | 6.575377 | 6.930211 | 6.607213 | 6.600826 | 6.806815 | 6.903774 | 7.154302 | 6.707064 | 6.911813 | 6.562636 | 6.446601 | 6.62271 | 6.653159 | 6.699589 | 6.03582 | 6.161904 | 5.785368 | 6.684923 | 6.732892 | 6.396588 | 6.202819 | 6.769013 | 6.901546 | 6.743981 | 6.182116 | 6.7068 | 6.445886 | 6.649949 | 6.849214 | 6.852705 | 6.701494 | 6.799359 | 6.837651 | 6.922994 | 6.72843 | 6.824012 | 6.761189 | 6.046883 | 5.50888 | 6.601827 | 6.697441 | 6.750096 | 6.792217 | 6.646918 | 6.681277 | 6.704348 | 6.667465 | 6.770551 | 6.584827 | 6.852025 | 6.067962 | 6.829496 | 6.331511 | 6.649929 | 6.535141 | 6.770029 | 5.88379 | 6.169137 | 6.75562 | 6.372761 | 6.656013 | 6.744089 | 6.693708 | 6.525757 | 6.817953 | 6.897879 | 6.666336 | 6.483808 | 6.82985 | 6.590681 | 5.989915 | 6.738837 | 6.739808 | 6.882125 | 6.740613 | 6.768755 | 6.656623 | 6.592946 | 6.862139 | 6.872887 | 6.715488 | 6.723684 | 6.566891 | 6.462146 | 6.569717 | 6.190681 | 6.430067 | 6.786284 | 6.791878 | 6.706843 | 6.805713 | 6.829569 | 6.876523 | 6.371225 | 6.611831 | 6.898838 | 6.929502 | 6.884888 | 6.723398 | 6.719101 | 6.717052 | 6.699034 | 6.934753 | 6.659324 | 6.536842 | 6.78421 | 6.736554 | 6.686999 | 6.813373 | 6.996757 | 6.64756 | 6.443511 | 6.117309 | 6.825406 | 6.73822 | 6.826923 | 6.474356 | 6.855193 | 6.73775 | 6.623549 | 6.57385 | 7.202484 | 6.938633 | 6.543736 | 6.748837 | 5.499388 | 6.530808 | 6.728878 | 6.61976 | 6.940626 | 6.856539 | 6.751267 | 6.873021 | 6.814697 | 6.414312 | 6.720822 | 6.603745 | 6.684261 | 6.588023 | 6.768021 | 6.614354 | 6.838477 | 6.630608 | 6.768981 | 6.529908 | 6.578995 | 6.942754 | 6.767444 | 6.808267 | 6.679898 | 6.532598 | 6.675566 | 6.694902 | 6.758502 | 6.463635 | 6.97776 | 6.733814 | 6.482168 | 6.166679 | 6.893219 | 6.60392 | 6.718124 | 6.726678 | 6.942795 | 6.621128 | 6.68379 | 6.811963 | 6.84578 | 6.864819 | 5.708241 | 6.678281 | [C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][Branch1][Ring2][C][Ring1][Ring2][N][Branch1][C][C][C][=C][C][=C][NH1][C][Ring1][Branch1][=N][C][=N][Ring1][=Branch2] | -0.396483 | Q92630 | O00311 | P33981 | 6.862139 | 7.281608 | 7.216077 |
CC(C)C1=CC=CC(=N1)N2C3=C(C=NC(=N3)NC4=CC=C(C=C4)N5CCN(CC5)C)C(=O)N2C | 7.103103 | 7.243292 | 7.697918 | 7.409055 | 7.237398 | 7.081666 | 7.174599 | 7.299554 | 7.556865 | 7.288825 | 6.901351 | 7.523488 | 6.771935 | 7.367227 | 7.293376 | 6.765317 | 7.39176 | 7.16658 | 6.910935 | 6.785198 | 7.154873 | 6.898776 | 7.188223 | 7.437652 | 6.874582 | 7.237642 | 7.382088 | 7.220778 | 7.138428 | 7.297469 | 7.407601 | 7.42128 | 7.38375 | 7.165299 | 6.988115 | 7.250426 | 7.426828 | 7.068141 | 7.346771 | 6.957458 | 7.499535 | 7.403719 | 7.449116 | 7.671616 | 6.686298 | 6.838587 | 7.088298 | 7.396194 | 7.213785 | 7.003518 | 7.312278 | 7.500472 | 7.337512 | 7.158857 | 7.152801 | 6.965305 | 7.624986 | 7.187085 | 7.511561 | 7.315565 | 7.249558 | 7.665709 | 7.275022 | 7.198144 | 7.533719 | 7.422452 | 7.340776 | 7.304041 | 7.187175 | 7.491834 | 7.751134 | 7.176971 | 7.315449 | 7.21376 | 6.953756 | 7.279688 | 7.27748 | 7.74542 | 7.714144 | 7.256992 | 7.492625 | 7.111495 | 7.341509 | 7.295135 | 7.229443 | 7.452197 | 7.251036 | 7.167428 | 7.231326 | 7.19614 | 7.172535 | 7.389121 | 7.052411 | 6.9192 | 7.228573 | 7.020797 | 7.138481 | 7.112299 | 6.882555 | 7.07199 | 7.563137 | 7.732067 | 7.111648 | 6.941549 | 7.303927 | 7.28271 | 7.281674 | 7.272031 | 7.259073 | 7.433284 | 7.514953 | 7.441564 | 7.348093 | 7.488561 | 7.057147 | 7.266541 | 7.137925 | 7.502932 | 7.198715 | 7.68159 | 7.436834 | 7.241223 | 7.689453 | 6.885774 | 7.4044 | 7.179212 | 7.185305 | 7.354365 | 7.386436 | 7.313527 | 7.391153 | 7.135798 | 7.178363 | 7.195994 | 7.344828 | 7.565755 | 7.303485 | 7.65469 | 7.533308 | 7.389001 | 7.076878 | 7.22502 | 7.38836 | 7.391204 | 7.187848 | 7.095602 | 7.298998 | 7.490214 | 7.595414 | 7.085958 | 7.280409 | 7.547028 | 7.410952 | 7.2292 | 6.909975 | 7.120678 | 7.085353 | 7.324357 | 6.831251 | 6.925382 | 7.317296 | 6.84418 | 6.888646 | 6.768116 | 7.003457 | 6.979608 | 7.440486 | 6.8353 | 7.633184 | 7.47011 | 7.283208 | 7.289274 | 7.158481 | 7.268476 | 7.312698 | 7.001081 | 7.062728 | 7.210181 | 7.3435 | 7.338148 | 7.465549 | 7.529573 | 7.276525 | 7.3276 | 7.038941 | 7.168923 | 7.118635 | 7.568561 | 7.461268 | 6.987518 | 7.392177 | 7.285392 | 7.195489 | 7.091204 | 7.258526 | 7.357103 | 7.201993 | 7.229576 | 7.513536 | 7.153206 | 7.395635 | 7.319465 | 6.948972 | 7.193069 | 7.055404 | 7.038915 | 6.85231 | 6.664311 | 7.412338 | 7.220342 | 7.429576 | 7.128749 | 7.083678 | 7.238114 | 7.40439 | 7.169899 | 7.173278 | 7.308733 | 6.759126 | 7.479411 | 6.989488 | 7.278308 | 7.317448 | 7.602062 | 7.227248 | 7.554092 | 7.393632 | 7.006515 | 7.571672 | 7.374037 | 6.927631 | 7.073476 | 7.410472 | 7.692087 | 6.882282 | 7.284381 | 6.923865 | 7.175871 | 7.160877 | 7.404003 | 6.953103 | 7.331385 | 7.40478 | 7.244746 | 6.903376 | 7.138285 | 7.26873 | 7.342397 | 7.235602 | 7.357634 | 7.344207 | 7.65102 | 6.998563 | 7.252614 | 7.549483 | 7.152966 | 7.593734 | 7.680919 | 7.128204 | 7.154201 | 7.103375 | 7.373453 | 7.416698 | 7.255449 | 7.226462 | 7.527393 | 7.263972 | 7.324103 | 7.413745 | 7.814282 | 7.016324 | 7.538894 | 6.650804 | 7.165337 | 7.156286 | 7.178506 | 7.326019 | 7.206296 | 7.424047 | 7.385222 | 7.105559 | 7.290998 | 7.081017 | 7.273078 | 7.435123 | 7.642066 | 7.332101 | 7.526171 | 7.558196 | 7.293851 | 7.276534 | 7.347286 | 7.332959 | 7.65082 | 6.993614 | 7.407598 | 7.28722 | 7.370492 | 7.190337 | 7.215796 | 7.59055 | 7.365475 | 7.465513 | 7.646838 | 7.374381 | 6.913591 | 6.772388 | 7.321712 | 7.528386 | 7.510442 | 7.546416 | 7.497399 | 7.406082 | 7.473697 | 7.280333 | 7.16274 | 7.549496 | 7.358861 | 7.433921 | 7.498617 | 7.50844 | 7.611382 | 7.569511 | 7.300779 | 6.622344 | 7.491526 | 7.117317 | 6.887927 | 7.477951 | 7.691624 | 7.370876 | 7.114183 | 6.935668 | 7.287866 | 7.133603 | 7.604192 | 7.2846 | 7.636961 | 7.197614 | 7.4623 | 7.629492 | 7.258291 | 7.82481 | 7.229732 | 7.320396 | 7.24367 | 6.925277 | 7.240518 | 7.385531 | 7.394936 | 7.694856 | 7.404682 | 7.252351 | 7.337224 | 7.022181 | 7.351934 | 7.547492 | 7.443749 | 7.193694 | 7.324864 | 7.041602 | 7.204576 | 7.1966 | 6.99583 | 7.234979 | 6.925452 | 7.242321 | 7.264306 | 7.245887 | 7.349821 | 7.260064 | 7.327626 | 7.499738 | 7.411602 | 7.19085 | 7.422307 | 7.54671 | 7.254978 | 7.024056 | 7.592239 | 7.387521 | 7.291448 | 7.233492 | 7.302873 | 7.123927 | 7.34205 | 6.991051 | 7.161356 | 7.092587 | 7.277127 | 6.953997 | [C][C][Branch1][C][C][C][=C][C][=C][C][=Branch1][Ring2][=N][Ring1][=Branch1][N][C][=C][Branch2][Ring1][#C][C][=N][C][=Branch1][Ring2][=N][Ring1][=Branch1][N][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][N][C][C][N][Branch1][Branch1][C][C][Ring1][=Branch1][C][C][=Branch1][C][=O][N][Ring2][Ring1][Branch2][C] | -0.561124 | Q92630 | Q9HBH9 | Q86Y07 | 7.190337 | 7.82481 | 7.814282 |
C[C@@H1](C1=NC2=CC=C(C=C2C(=O)N1C3=CC=CC=C3)F)NC=CCN=C | 6.879972 | 6.936267 | 7.482817 | 6.823132 | 7.360285 | 7.086374 | 7.216641 | 7.182202 | 7.011773 | 7.122163 | 7.089349 | 6.865397 | 6.95117 | 7.03275 | 6.992503 | 6.780832 | 7.061141 | 7.073692 | 6.916862 | 6.839338 | 7.01009 | 6.800011 | 6.964149 | 7.203694 | 6.743351 | 7.101501 | 7.268717 | 7.128643 | 7.146464 | 6.893316 | 7.15477 | 7.091753 | 7.035691 | 6.885743 | 7.152602 | 7.321875 | 7.137723 | 7.098113 | 7.038762 | 6.881526 | 7.150622 | 7.157603 | 7.212889 | 7.364307 | 6.742709 | 6.715314 | 7.092654 | 6.95197 | 6.852708 | 7.071823 | 7.125197 | 7.229001 | 6.976939 | 7.155643 | 6.98421 | 7.046715 | 7.259193 | 7.133248 | 7.380202 | 6.657622 | 7.02107 | 7.208117 | 6.976869 | 6.802265 | 7.00189 | 7.185179 | 7.259767 | 6.900522 | 7.164072 | 7.064006 | 6.929492 | 6.970588 | 6.814783 | 7.193766 | 6.882053 | 6.810278 | 6.829778 | 7.084893 | 7.038474 | 6.973268 | 6.93927 | 6.589497 | 7.190299 | 7.375492 | 7.147761 | 7.142651 | 6.866326 | 6.742372 | 7.048956 | 6.954415 | 7.018389 | 6.97912 | 7.079052 | 6.951333 | 7.135755 | 7.041551 | 6.815084 | 6.871802 | 6.914364 | 6.739429 | 7.4374 | 7.270105 | 7.180649 | 7.104179 | 7.174501 | 7.076191 | 7.228084 | 6.921455 | 7.036632 | 6.980933 | 6.974457 | 6.935512 | 7.159935 | 6.931632 | 6.837127 | 7.021863 | 6.924064 | 7.211044 | 6.380231 | 7.478828 | 7.081091 | 6.787223 | 7.173672 | 7.050217 | 7.419082 | 7.064003 | 7.028091 | 7.059328 | 7.056989 | 7.100102 | 6.761268 | 6.736952 | 6.903028 | 7.127322 | 7.129324 | 7.268062 | 6.876163 | 7.068278 | 7.29334 | 7.049705 | 6.844864 | 6.836665 | 6.901816 | 7.045869 | 6.736514 | 7.061755 | 7.200717 | 7.118141 | 7.195411 | 6.875473 | 6.840731 | 6.962247 | 7.226813 | 7.012653 | 7.033612 | 6.987684 | 7.188256 | 7.277694 | 6.903839 | 6.771312 | 6.977951 | 6.870358 | 6.769414 | 6.740708 | 6.670345 | 6.922011 | 7.248973 | 6.827464 | 7.052163 | 7.242106 | 7.197083 | 7.035213 | 7.066538 | 6.928895 | 7.132316 | 6.828897 | 6.948673 | 7.026124 | 7.075764 | 7.166147 | 7.029229 | 7.281241 | 7.117843 | 7.179204 | 7.121834 | 6.772509 | 7.026473 | 7.258016 | 7.219044 | 6.987042 | 7.329585 | 7.026707 | 7.266212 | 6.954473 | 7.19503 | 6.973731 | 7.265515 | 6.976334 | 7.121999 | 7.099062 | 7.203318 | 7.027311 | 7.151789 | 6.838907 | 7.167652 | 6.980235 | 7.0016 | 6.594342 | 7.249164 | 6.819556 | 7.145208 | 7.050204 | 6.916841 | 6.98286 | 6.974684 | 7.163343 | 6.958753 | 7.060515 | 6.812158 | 7.115815 | 6.984178 | 7.105007 | 7.162724 | 7.016006 | 7.039203 | 7.315088 | 7.176728 | 6.869493 | 7.324487 | 6.886744 | 6.834146 | 7.0984 | 6.837213 | 7.363322 | 6.646262 | 6.787254 | 6.889654 | 7.145887 | 7.046385 | 7.13081 | 6.610615 | 6.867532 | 7.174801 | 7.042047 | 6.65503 | 7.15585 | 7.136022 | 7.170412 | 7.061158 | 7.358414 | 6.979355 | 7.2667 | 7.030014 | 7.119441 | 7.187747 | 6.983537 | 6.97706 | 7.08805 | 6.816294 | 7.132784 | 6.925329 | 7.248246 | 7.067505 | 7.068758 | 7.332322 | 7.045689 | 7.202171 | 7.322691 | 7.208426 | 7.245085 | 6.862946 | 7.131808 | 7.058326 | 7.113812 | 6.721276 | 6.911182 | 6.65291 | 7.068964 | 7.322401 | 7.132532 | 7.2545 | 7.017759 | 7.215263 | 7.109991 | 6.992038 | 7.066187 | 7.268508 | 6.873312 | 7.09545 | 7.127397 | 7.066154 | 7.305893 | 7.102068 | 7.168345 | 6.912987 | 7.371922 | 7.262663 | 6.808539 | 7.010196 | 7.039905 | 7.265353 | 6.978145 | 7.21434 | 7.132052 | 7.028276 | 6.948355 | 6.878598 | 7.049932 | 6.968861 | 7.251333 | 7.021667 | 7.311794 | 7.330368 | 7.06064 | 7.193906 | 6.984895 | 6.853976 | 7.243469 | 7.192491 | 7.028153 | 7.230433 | 7.18584 | 6.86836 | 6.994046 | 6.850229 | 6.983737 | 6.962515 | 7.157495 | 7.179836 | 7.092316 | 7.098583 | 7.016329 | 6.894383 | 7.250002 | 7.260979 | 7.156232 | 7.108544 | 7.152893 | 6.986128 | 7.1207 | 7.187438 | 7.010601 | 7.029254 | 6.813453 | 7.120654 | 7.268128 | 7.039983 | 6.920228 | 7.146861 | 7.223176 | 7.353544 | 7.037541 | 7.209482 | 7.319095 | 6.920239 | 7.112957 | 6.922588 | 7.13889 | 7.02875 | 7.1438 | 6.992508 | 7.262341 | 6.964784 | 6.953412 | 6.587805 | 7.056972 | 7.042906 | 7.0034 | 7.102715 | 7.261414 | 7.201098 | 7.336548 | 7.407129 | 7.186119 | 6.865023 | 7.014312 | 7.311746 | 7.047908 | 7.155041 | 7.324254 | 6.92714 | 6.984893 | 6.978294 | 6.920861 | 7.11968 | 7.095932 | 7.100207 | 7.243163 | 7.314287 | 7.22066 | 6.952448 | [C][C@@H1][Branch2][Ring1][=C][C][=N][C][=C][C][=C][Branch2][Ring1][Ring2][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][F][N][C][=C][C][N][=C] | -0.440314 | Q92630 | O00311 | P41240 | 7.010196 | 7.482817 | 7.478828 |
CC1=CC=C(C=C1N2C(=C(C=N2)C(=O)C3=CC=CC(=C3)C#N)N)C(=O)NC4CC4 | 6.621934 | 6.662944 | 6.831743 | 6.461359 | 6.908276 | 6.698442 | 6.70575 | 6.781114 | 6.536812 | 6.781832 | 6.634662 | 6.483719 | 6.545334 | 6.598755 | 6.547496 | 6.354787 | 6.711828 | 6.830573 | 6.412766 | 6.398345 | 6.632469 | 6.489394 | 6.677478 | 6.577438 | 6.398768 | 6.503383 | 6.71526 | 6.538299 | 6.692757 | 6.440215 | 6.563446 | 6.53432 | 6.514634 | 6.428234 | 6.709005 | 6.811441 | 6.740076 | 6.618525 | 6.387545 | 6.596459 | 6.577105 | 6.593726 | 6.721491 | 6.81549 | 6.353121 | 6.4371 | 6.926173 | 6.417463 | 6.481405 | 6.613125 | 7.056171 | 7.051262 | 6.455833 | 6.625336 | 6.629929 | 6.804338 | 6.729038 | 6.759593 | 7.040465 | 6.501694 | 6.505435 | 6.65864 | 6.387162 | 6.607998 | 6.48318 | 6.829792 | 6.617202 | 6.466158 | 6.861712 | 6.422178 | 6.538786 | 6.548018 | 6.574921 | 6.770204 | 6.413047 | 6.343359 | 6.674266 | 6.545166 | 6.477424 | 6.47914 | 6.355659 | 6.237535 | 6.835298 | 6.953803 | 6.875376 | 6.84695 | 6.397747 | 6.305574 | 6.577138 | 6.526892 | 6.468385 | 6.598711 | 6.623078 | 6.465093 | 6.72399 | 6.437037 | 6.51058 | 6.402538 | 6.457271 | 6.272573 | 7.025443 | 6.566555 | 6.512061 | 6.664568 | 6.857448 | 6.586488 | 6.581169 | 6.493063 | 6.685468 | 6.577829 | 6.734972 | 6.710975 | 6.769147 | 6.760257 | 6.483349 | 6.735712 | 6.581392 | 6.850799 | 6.237726 | 7.222832 | 6.83754 | 6.309731 | 6.713124 | 6.679954 | 7.047894 | 6.62342 | 6.546755 | 6.673214 | 6.497935 | 6.561957 | 6.388793 | 6.406333 | 6.436903 | 6.567667 | 6.785188 | 6.997807 | 6.553645 | 6.551582 | 7.098989 | 6.719116 | 6.534084 | 6.564422 | 6.433876 | 6.513591 | 6.258193 | 6.498968 | 6.745442 | 6.631452 | 6.698075 | 6.500688 | 6.2589 | 6.519439 | 6.663564 | 6.468854 | 6.720545 | 6.730112 | 6.882608 | 6.959991 | 6.409901 | 6.362195 | 6.501228 | 6.422838 | 6.330147 | 6.329986 | 6.266352 | 6.412017 | 6.703163 | 6.461038 | 6.563094 | 6.745746 | 7.0352 | 6.63752 | 6.532638 | 6.451981 | 6.585819 | 6.480462 | 6.470397 | 6.565919 | 6.66465 | 6.819783 | 6.654818 | 6.750524 | 6.747041 | 6.94098 | 6.606302 | 6.368338 | 6.607909 | 6.768429 | 6.804076 | 6.520587 | 6.956567 | 6.599526 | 6.950505 | 6.676082 | 6.647415 | 6.457312 | 6.750943 | 6.60932 | 6.535874 | 6.633305 | 6.720554 | 6.472003 | 6.672745 | 6.47306 | 6.859066 | 6.714829 | 6.833845 | 6.357332 | 6.781503 | 6.535866 | 6.605743 | 6.610481 | 6.612242 | 6.625086 | 6.518008 | 6.79741 | 6.713986 | 6.710502 | 6.679734 | 6.653966 | 6.597838 | 6.681261 | 6.717221 | 6.487773 | 6.469588 | 6.724535 | 6.671461 | 6.367244 | 6.833401 | 6.385162 | 6.38869 | 6.536503 | 6.458829 | 6.742574 | 6.493351 | 6.52934 | 6.346644 | 6.585417 | 6.672623 | 6.513965 | 6.401424 | 6.513813 | 6.639317 | 6.584054 | 6.297688 | 6.591107 | 6.584418 | 6.753653 | 6.591402 | 6.96667 | 6.676077 | 6.645463 | 6.774926 | 6.776166 | 6.543994 | 6.621183 | 6.475816 | 6.471385 | 6.349382 | 6.662282 | 6.391884 | 6.766596 | 6.585587 | 6.577079 | 6.846633 | 6.433492 | 6.7568 | 6.983891 | 6.681958 | 6.674086 | 6.394786 | 6.735733 | 6.698344 | 6.825114 | 6.336617 | 6.491479 | 6.26603 | 6.515749 | 6.95792 | 6.525943 | 6.618347 | 6.657013 | 6.837962 | 6.759646 | 6.614248 | 6.573284 | 6.695243 | 6.364176 | 6.503735 | 6.517241 | 6.53513 | 6.580061 | 6.580924 | 6.57255 | 6.558209 | 6.970187 | 6.77184 | 6.364037 | 6.537334 | 6.588345 | 6.591662 | 6.567212 | 6.720897 | 6.620857 | 6.503516 | 6.460459 | 6.535561 | 6.540303 | 6.532063 | 6.727276 | 6.489795 | 6.866609 | 6.8904 | 6.64381 | 6.76755 | 6.49116 | 6.457368 | 6.672243 | 6.659472 | 6.517083 | 6.784897 | 6.587271 | 6.439818 | 6.426671 | 6.447433 | 6.475307 | 6.509716 | 6.760696 | 6.613962 | 6.668988 | 6.62098 | 6.493142 | 6.494439 | 6.646193 | 6.8308 | 6.788099 | 6.612565 | 6.743462 | 6.514625 | 6.564936 | 6.526039 | 6.711126 | 6.583911 | 6.565866 | 6.584489 | 7.14156 | 6.585678 | 6.549432 | 6.916263 | 6.819302 | 6.763457 | 6.510311 | 6.871714 | 6.918087 | 6.474805 | 6.615211 | 6.426194 | 6.694098 | 6.590059 | 6.654778 | 6.458103 | 6.832296 | 6.43501 | 6.636322 | 6.272948 | 6.501083 | 6.445442 | 6.471811 | 6.791771 | 6.896545 | 6.792075 | 6.739934 | 6.96144 | 6.657341 | 6.333002 | 6.573412 | 6.92124 | 6.653697 | 6.625759 | 6.761575 | 6.388525 | 6.534838 | 6.52499 | 6.550508 | 6.724584 | 6.594484 | 6.851509 | 6.696491 | 6.906796 | 7.092809 | 6.519165 | [C][C][=C][C][=C][Branch2][Ring2][C][C][=C][Ring1][=Branch1][N][C][=Branch2][Ring1][Branch2][=C][Branch1][Branch1][C][=N][Ring1][Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][#N][N][C][=Branch1][C][=O][N][C][C][C][Ring1][Ring1] | -0.595082 | Q92630 | P41240 | Q9HCP0 | 6.537334 | 7.222832 | 7.14156 |
CC(C)(C1=CC=CC(=N1)N2C3=C(C=NC(=N3)NC4=CC=C(C=C4)N5CCN(CC5)C)C(=O)N2CC=C)O | 7.031848 | 7.171544 | 7.671365 | 7.313249 | 7.315461 | 7.081515 | 7.082647 | 7.091192 | 7.472275 | 7.267258 | 7.013683 | 7.361628 | 6.904483 | 7.23681 | 7.180503 | 7.007802 | 7.328749 | 7.061995 | 7.095645 | 6.889328 | 7.157475 | 6.912415 | 7.142632 | 7.35955 | 7.000825 | 7.192995 | 7.25293 | 7.171667 | 7.150116 | 7.20331 | 7.329739 | 7.318969 | 7.288149 | 7.150917 | 7.093531 | 7.223761 | 7.429313 | 7.020639 | 7.174536 | 7.014814 | 7.403949 | 7.404734 | 7.409018 | 7.400032 | 6.762942 | 6.923751 | 7.108323 | 7.253284 | 7.226533 | 6.831251 | 7.237289 | 7.229986 | 7.23279 | 7.221742 | 7.122526 | 6.995657 | 7.561425 | 7.169297 | 7.456932 | 7.173892 | 7.193035 | 7.444127 | 7.313461 | 6.979815 | 7.464911 | 7.285889 | 7.253799 | 7.289398 | 7.234709 | 7.41423 | 7.572515 | 7.137206 | 7.07003 | 7.10801 | 6.97519 | 7.236596 | 7.13946 | 7.47585 | 7.582682 | 7.237554 | 7.307279 | 7.185075 | 7.298032 | 7.315303 | 7.14374 | 7.323125 | 7.126516 | 7.18067 | 7.088229 | 7.151777 | 7.083532 | 7.277431 | 7.123495 | 7.000962 | 7.182787 | 7.081069 | 7.136569 | 7.207318 | 7.010502 | 7.160561 | 7.407017 | 7.579588 | 7.187284 | 6.958858 | 7.209095 | 7.168065 | 7.219992 | 7.251973 | 7.202442 | 7.310904 | 7.299301 | 7.155747 | 7.359619 | 7.272952 | 7.05633 | 7.24643 | 7.110431 | 7.418196 | 7.203397 | 7.490121 | 7.263148 | 7.133607 | 7.670968 | 7.03513 | 7.320205 | 7.204703 | 7.215283 | 7.209966 | 7.256809 | 7.252396 | 7.472956 | 7.287075 | 7.107323 | 7.144642 | 7.268816 | 7.502881 | 7.268814 | 7.502573 | 7.457407 | 7.471111 | 7.274519 | 7.316037 | 7.313858 | 7.268621 | 7.086404 | 7.178317 | 7.214901 | 7.34507 | 7.466143 | 7.070877 | 7.082413 | 7.421592 | 7.239665 | 7.140713 | 6.825521 | 7.006366 | 7.101115 | 7.299878 | 7.012478 | 7.180858 | 7.140888 | 7.065546 | 7.042321 | 6.876832 | 7.028006 | 7.134055 | 7.320681 | 6.983834 | 7.542101 | 7.420493 | 7.307884 | 7.175842 | 7.115117 | 7.336166 | 7.255603 | 6.962518 | 6.972916 | 7.090086 | 7.354508 | 7.205082 | 7.399733 | 7.401514 | 7.30583 | 7.338561 | 7.067414 | 7.087255 | 7.098924 | 7.502495 | 7.350378 | 7.009953 | 7.363605 | 7.237087 | 7.119507 | 7.166936 | 7.081882 | 7.141778 | 7.247296 | 7.261098 | 7.352406 | 7.157343 | 7.27967 | 7.266736 | 7.013214 | 7.146955 | 7.105793 | 6.98376 | 6.919151 | 6.811787 | 7.308987 | 7.181214 | 7.298566 | 6.99317 | 6.999629 | 7.111205 | 7.390578 | 7.252514 | 7.182693 | 7.113579 | 6.911374 | 7.324169 | 6.959517 | 7.249713 | 7.147569 | 7.417349 | 7.235984 | 7.498246 | 7.369761 | 7.095139 | 7.424815 | 7.205416 | 7.049247 | 7.057677 | 7.325332 | 7.429172 | 7.063621 | 7.269881 | 7.055529 | 7.04734 | 7.106529 | 7.256228 | 7.036363 | 7.194842 | 7.330067 | 7.23684 | 7.01719 | 7.119073 | 7.151155 | 7.251333 | 7.14941 | 7.250285 | 7.244637 | 7.492111 | 7.157209 | 7.284368 | 7.421475 | 7.190578 | 7.335318 | 7.51917 | 7.030411 | 7.152089 | 7.154316 | 7.374004 | 7.363662 | 7.210899 | 7.201789 | 7.357176 | 7.178396 | 7.265169 | 7.361671 | 7.576311 | 7.039459 | 7.397593 | 6.762162 | 6.96495 | 7.208368 | 7.246626 | 7.168576 | 7.208137 | 7.397885 | 7.168641 | 7.138642 | 7.234572 | 7.067206 | 7.274853 | 7.343549 | 7.547457 | 7.28036 | 7.393018 | 7.315315 | 7.157528 | 7.231887 | 7.29815 | 7.23052 | 7.445269 | 7.113819 | 7.392629 | 7.27292 | 7.227533 | 7.162504 | 7.287115 | 7.424654 | 7.273753 | 7.43593 | 7.416219 | 7.281037 | 7.034018 | 6.854901 | 7.168429 | 7.34037 | 7.419262 | 7.284211 | 7.398994 | 7.31943 | 7.360493 | 7.30655 | 7.151446 | 7.442355 | 7.398763 | 7.249487 | 7.334739 | 7.412244 | 7.399199 | 7.433544 | 7.133367 | 6.784312 | 7.364325 | 7.118287 | 6.999447 | 7.370455 | 7.500746 | 7.248149 | 7.097944 | 7.013742 | 7.268764 | 7.146745 | 7.444683 | 7.230748 | 7.474396 | 7.180565 | 7.259284 | 7.421771 | 7.405185 | 7.536232 | 7.070836 | 7.23774 | 7.270547 | 6.989635 | 7.234335 | 7.287321 | 7.378322 | 7.537939 | 7.348102 | 7.319442 | 7.391697 | 7.152473 | 7.244756 | 7.305534 | 7.327793 | 7.140536 | 7.303095 | 7.003615 | 7.300074 | 7.172025 | 7.053373 | 7.168172 | 6.938601 | 7.212276 | 7.21765 | 7.080466 | 7.340286 | 7.139373 | 7.202538 | 7.413886 | 7.372702 | 7.116714 | 7.397866 | 7.481169 | 7.116644 | 7.062902 | 7.501298 | 7.332464 | 7.204049 | 7.169683 | 7.281078 | 6.913149 | 7.296531 | 7.182342 | 7.092854 | 7.257301 | 7.278905 | 7.090344 | [C][C][Branch1][C][C][Branch2][Branch1][#Branch2][C][=C][C][=C][C][=Branch1][Ring2][=N][Ring1][=Branch1][N][C][=C][Branch2][Ring1][#C][C][=N][C][=Branch1][Ring2][=N][Ring1][=Branch1][N][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][N][C][C][N][Branch1][Branch1][C][C][Ring1][=Branch1][C][C][=Branch1][C][=O][N][Ring2][Ring1][Branch2][C][C][=C][O] | -0.469057 | Q92630 | O00311 | P42679 | 7.162504 | 7.671365 | 7.670968 |
CCN1CCN(CC1)CC2=CC=C(N=C2)NC3=NC=CC=N3 | 6.614507 | 6.334192 | 7.313809 | 6.706217 | 6.164634 | 5.587682 | 6.81321 | 5.192327 | 7.143228 | 5.374559 | 6.227171 | 7.075007 | 4.890043 | 7.024902 | 5.164051 | 4.901403 | 6.632894 | 6.60352 | 5.397145 | 5.723959 | 6.248279 | 6.412958 | 6.680991 | 7.241883 | 5.932843 | 6.770358 | 6.741175 | 6.301107 | 5.392085 | 6.785635 | 6.947653 | 7.013154 | 6.721344 | 5.529547 | 6.798033 | 6.835382 | 6.526307 | 4.848454 | 7.195773 | 5.524302 | 6.979338 | 5.500254 | 5.367885 | 7.18571 | 4.966737 | 5.658064 | 5.344637 | 6.562737 | 5.124514 | 5.645473 | 6.681349 | 7.238501 | 5.397286 | 5.332729 | 6.772614 | 5.626202 | 6.757656 | 5.272666 | 6.469499 | 6.793632 | 5.485549 | 7.125488 | 5.479897 | 6.720637 | 7.205915 | 6.935639 | 4.740622 | 5.512025 | 4.991116 | 5.65413 | 7.324701 | 5.325742 | 6.737105 | 6.18882 | 5.263116 | 5.195891 | 6.937929 | 7.070438 | 7.290088 | 6.617397 | 6.431265 | 5.636671 | 6.888563 | 7.179426 | 6.499886 | 5.943046 | 5.101308 | 4.903027 | 6.835556 | 6.500272 | 5.73615 | 7.078684 | 5.432593 | 6.084326 | 6.566568 | 6.0057 | 5.544049 | 5.871556 | 4.927622 | 5.098817 | 7.092052 | 7.287137 | 6.182977 | 4.308377 | 4.747393 | 6.845933 | 6.499127 | 6.998027 | 6.268098 | 7.122522 | 7.127947 | 6.947366 | 5.377364 | 7.114139 | 5.646033 | 6.568354 | 5.530443 | 5.880081 | 5.547756 | 6.001789 | 4.995778 | 6.855891 | 7.091514 | 5.549561 | 6.742803 | 6.673364 | 5.460457 | 6.590087 | 6.588943 | 7.118635 | 6.779456 | 5.466019 | 6.973014 | 7.099109 | 5.927436 | 6.965216 | 6.459029 | 7.118119 | 7.044195 | 6.889442 | 6.723698 | 6.445866 | 7.009938 | 6.989741 | 6.104145 | 5.299356 | 5.979061 | 7.08424 | 6.966722 | 5.24386 | 6.699007 | 7.279261 | 6.748869 | 6.880133 | 5.027981 | 6.522408 | 6.686861 | 7.118959 | 4.867127 | 4.95221 | 6.362256 | 4.903822 | 5.593676 | 4.769816 | 4.898601 | 5.15371 | 7.165318 | 5.315539 | 6.978477 | 7.173481 | 6.428833 | 6.573262 | 5.333663 | 5.670144 | 5.599814 | 6.805057 | 5.73394 | 6.603488 | 5.339367 | 5.814538 | 6.68257 | 6.544227 | 6.554566 | 6.969974 | 4.985213 | 6.507636 | 6.124675 | 6.751357 | 5.156191 | 5.039246 | 7.155155 | 6.753774 | 6.416532 | 5.34724 | 6.359986 | 7.018442 | 5.595756 | 7.009898 | 6.866512 | 5.256005 | 6.040592 | 7.41661 | 4.82295 | 6.964653 | 4.653658 | 6.640073 | 5.522787 | 5.393192 | 7.052677 | 6.921513 | 7.097407 | 6.569383 | 6.62706 | 6.887789 | 7.298378 | 5.372806 | 5.637267 | 6.893061 | 6.209364 | 5.657522 | 6.534255 | 6.839731 | 5.458604 | 7.311151 | 6.868596 | 7.20985 | 7.135686 | 5.125165 | 7.297527 | 6.583087 | 5.149202 | 6.379722 | 7.019525 | 7.353904 | 5.450869 | 6.074522 | 5.072578 | 5.831612 | 6.416347 | 6.15728 | 6.206313 | 7.064746 | 7.016175 | 6.696673 | 5.665533 | 6.773818 | 6.861004 | 6.654004 | 5.881806 | 7.278481 | 6.640689 | 6.637962 | 5.238879 | 6.197013 | 5.983691 | 6.482119 | 7.136143 | 6.043438 | 6.944563 | 6.496755 | 6.74826 | 6.95441 | 6.665718 | 6.596729 | 6.481279 | 6.719285 | 6.889903 | 6.402716 | 7.176641 | 7.137907 | 5.451552 | 7.056 | 5.724954 | 6.321061 | 5.289929 | 5.524947 | 6.186488 | 6.944154 | 7.385207 | 7.214669 | 6.703486 | 6.779166 | 6.693426 | 6.453091 | 6.958716 | 7.016111 | 6.925468 | 6.96384 | 6.680191 | 6.500449 | 6.881235 | 6.794175 | 6.918593 | 7.100277 | 6.037968 | 6.96851 | 6.98954 | 6.77937 | 6.731919 | 5.479758 | 6.91484 | 6.819232 | 6.180955 | 7.112038 | 7.057215 | 5.504987 | 5.517655 | 6.408049 | 6.98373 | 5.610196 | 7.198964 | 6.699406 | 7.07153 | 6.846567 | 7.320779 | 6.023075 | 7.30224 | 5.412534 | 7.000573 | 6.697787 | 7.029772 | 7.173508 | 7.030728 | 5.535566 | 5.934775 | 6.527529 | 6.316938 | 5.327454 | 7.120767 | 7.35932 | 6.997013 | 6.773417 | 5.349049 | 6.95112 | 6.719215 | 7.153141 | 6.140426 | 7.153007 | 6.65454 | 6.874275 | 6.827635 | 6.803466 | 7.053077 | 6.571437 | 6.515399 | 5.534103 | 6.372613 | 6.750842 | 7.079893 | 6.339032 | 6.990407 | 7.060328 | 6.279001 | 6.942953 | 6.017807 | 5.067496 | 7.003535 | 6.787795 | 6.573356 | 6.83485 | 5.118463 | 6.705064 | 5.723155 | 6.795814 | 6.712586 | 6.815638 | 6.113842 | 6.60412 | 6.655708 | 7.02857 | 6.801367 | 6.518492 | 7.090921 | 7.158909 | 5.984518 | 6.972176 | 6.700849 | 6.908378 | 4.658753 | 7.298779 | 6.712723 | 6.655407 | 6.747898 | 7.094811 | 6.166328 | 5.68265 | 5.86139 | 6.443775 | 6.273326 | 6.243107 | 4.710057 | [C][C][N][C][C][N][Branch1][Branch1][C][C][Ring1][=Branch1][C][C][=C][C][=C][Branch1][Branch1][N][=C][Ring1][=Branch1][N][C][=N][C][=C][C][=N][Ring1][=Branch1] | -0.594561 | Q92630 | Q13164 | Q8IY84 | 6.731919 | 7.41661 | 7.385207 |
CC#CC(=O)N1CCC[C@H1]1C2=NC(=C3N2C=CN=C3N)C=CC=CC | 7.886451 | 8.038083 | 8.049426 | 7.681598 | 8.218221 | 7.828092 | 7.801143 | 8.007678 | 7.96227 | 7.539316 | 7.810276 | 8.000011 | 7.878732 | 8.091812 | 7.762097 | 7.568807 | 7.723267 | 7.94919 | 7.783799 | 7.849968 | 7.810828 | 7.676004 | 7.752108 | 8.169733 | 7.808821 | 7.907064 | 8.197956 | 8.028072 | 7.971772 | 7.932045 | 7.921115 | 7.834143 | 7.853873 | 7.801014 | 7.922314 | 7.946929 | 8.065477 | 7.900453 | 7.941377 | 7.939051 | 8.200719 | 8.00548 | 8.372795 | 8.073776 | 7.524949 | 7.631541 | 7.649209 | 7.906075 | 7.903755 | 7.662921 | 7.940313 | 7.83052 | 7.946249 | 8.021504 | 7.816053 | 7.738404 | 8.048193 | 7.890695 | 8.225931 | 7.10402 | 7.807136 | 8.071386 | 8.164389 | 7.476177 | 8.185884 | 7.870637 | 8.103713 | 7.923608 | 7.900692 | 8.04866 | 8.056112 | 7.94383 | 7.278071 | 7.766325 | 7.624315 | 7.776803 | 7.348653 | 8.243084 | 8.063283 | 7.837076 | 7.939456 | 7.981832 | 8.061406 | 8.184772 | 7.965557 | 8.143887 | 7.844062 | 7.695476 | 7.979324 | 7.77378 | 7.804916 | 7.905425 | 7.908488 | 8.068105 | 7.720675 | 8.25239 | 8.099619 | 7.982158 | 7.978057 | 7.896888 | 8.027261 | 8.198919 | 7.856552 | 8.050417 | 8.145194 | 7.952477 | 8.020954 | 7.963477 | 7.830579 | 7.903664 | 7.645686 | 7.588601 | 7.891512 | 7.40764 | 8.045045 | 7.908601 | 7.879436 | 8.082033 | 7.89883 | 8.110435 | 7.911973 | 7.996802 | 8.179498 | 7.736346 | 8.155925 | 7.981247 | 7.681841 | 7.956755 | 8.085981 | 8.01562 | 7.942686 | 7.520086 | 7.708318 | 7.752349 | 8.003493 | 8.085228 | 7.90169 | 7.650467 | 8.054464 | 7.855852 | 7.800202 | 7.819717 | 7.726672 | 7.778594 | 7.890393 | 7.868379 | 7.929119 | 8.083078 | 8.131876 | 8.064008 | 7.680403 | 7.921811 | 7.789802 | 7.765305 | 7.945737 | 7.916984 | 7.8821 | 7.970942 | 7.912239 | 7.770785 | 7.955554 | 7.911546 | 7.773569 | 7.738405 | 7.912398 | 7.8107 | 7.86799 | 7.870307 | 7.999734 | 7.976101 | 7.879419 | 7.891477 | 7.834148 | 7.919305 | 7.993539 | 7.705315 | 7.602764 | 7.823486 | 7.93943 | 7.978094 | 7.838141 | 7.988992 | 8.021331 | 7.742346 | 8.047072 | 8.028132 | 7.685034 | 8.118355 | 7.977436 | 7.785107 | 8.14574 | 7.707835 | 7.708576 | 8.031224 | 7.828665 | 7.858808 | 8.141106 | 7.603544 | 8.027239 | 7.998855 | 7.899532 | 7.985499 | 7.924755 | 7.550067 | 7.826644 | 7.785267 | 7.940886 | 7.617903 | 8.073434 | 7.886427 | 8.149345 | 7.643636 | 7.650898 | 7.788304 | 8.055124 | 8.103103 | 7.926502 | 7.74982 | 7.647182 | 7.970324 | 7.956393 | 7.915067 | 8.157627 | 8.141781 | 7.893129 | 8.155857 | 8.289137 | 7.828403 | 8.178723 | 8.192403 | 7.690687 | 7.907989 | 7.906131 | 8.089817 | 7.627659 | 7.821395 | 7.832497 | 7.754795 | 7.825508 | 7.757544 | 7.825679 | 7.861827 | 7.768596 | 7.774228 | 7.800647 | 7.672672 | 7.747993 | 8.106213 | 7.829211 | 7.807523 | 7.905508 | 8.14244 | 8.084833 | 8.129856 | 8.080289 | 7.868025 | 8.005941 | 8.092232 | 8.0688 | 7.768618 | 7.888611 | 8.131484 | 8.054516 | 7.802197 | 7.967359 | 7.824595 | 8.016708 | 7.973262 | 8.172298 | 8.148958 | 7.771225 | 7.739008 | 7.864542 | 7.698679 | 7.548952 | 8.007501 | 7.926529 | 8.11192 | 7.925123 | 8.003654 | 7.97463 | 7.909195 | 7.744388 | 7.975626 | 7.716325 | 8.014801 | 8.005517 | 7.810726 | 7.994975 | 7.952041 | 8.090652 | 8.288073 | 7.960841 | 8.21183 | 7.805504 | 7.973948 | 7.853495 | 8.03673 | 7.780448 | 7.817963 | 8.085126 | 7.998301 | 8.132082 | 8.089342 | 7.861927 | 7.941369 | 7.888977 | 8.226881 | 7.917571 | 8.112117 | 7.918129 | 7.925862 | 8.096196 | 7.783017 | 8.174217 | 8.042845 | 8.010031 | 7.969286 | 7.874518 | 8.054991 | 7.950678 | 8.031111 | 7.565928 | 8.045077 | 7.702584 | 7.761089 | 7.807869 | 8.075055 | 7.897677 | 7.982257 | 7.833065 | 7.890857 | 7.718037 | 7.817286 | 7.890866 | 7.751252 | 7.984744 | 7.826609 | 7.808387 | 8.100959 | 8.10297 | 7.753105 | 8.133946 | 7.949134 | 7.896525 | 7.948869 | 7.723796 | 7.843377 | 7.864687 | 8.051171 | 8.148895 | 7.898113 | 7.999944 | 7.902738 | 7.672907 | 7.959355 | 7.927831 | 7.986993 | 7.743699 | 7.872196 | 7.843421 | 8.121404 | 8.01044 | 7.981688 | 7.844117 | 7.906868 | 8.094408 | 7.817782 | 8.079177 | 7.860979 | 8.011962 | 8.02942 | 8.104063 | 7.905465 | 7.878852 | 7.915712 | 7.899781 | 7.748413 | 8.164584 | 8.126156 | 7.851622 | 7.833067 | 7.844134 | 8.010406 | 7.725075 | 8.321776 | 8.075436 | 7.825807 | 8.160425 | 7.949949 | 7.867059 | [C][C][#C][C][=Branch1][C][=O][N][C][C][C][C@H1][Ring1][Branch1][C][=N][C][=Branch1][N][=C][N][Ring1][Branch1][C][=C][N][=C][Ring1][=Branch1][N][C][=C][C][=C][C] | -0.531582 | Q92630 | P04626 | Q9Y572 | 7.780448 | 8.372795 | 8.321776 |
CC(C)C1=CC=CC(=N1)NC=CC=N | 5.987465 | 5.496747 | 6.748844 | 5.543712 | 6.29221 | 5.013195 | 5.980427 | 6.087283 | 6.214227 | 5.86939 | 5.049553 | 5.944372 | 5.0955 | 6.066716 | 5.01753 | 5.031158 | 5.778674 | 5.932074 | 5.814294 | 5.758453 | 5.927291 | 5.961379 | 5.93626 | 5.921929 | 5.710996 | 5.272752 | 6.464603 | 6.042264 | 6.069932 | 5.222924 | 6.000351 | 5.837921 | 6.170662 | 5.429286 | 5.971794 | 5.285215 | 5.877862 | 4.805879 | 5.385453 | 5.792324 | 6.683936 | 6.254876 | 6.850266 | 6.317033 | 4.598329 | 5.494442 | 5.072156 | 5.67344 | 4.781422 | 5.841968 | 5.744062 | 6.466297 | 4.874469 | 5.087277 | 5.225013 | 5.006165 | 6.795447 | 5.043326 | 6.713743 | 5.175274 | 4.785163 | 6.334238 | 5.783418 | 6.012051 | 5.987423 | 6.753914 | 5.148745 | 4.979337 | 5.166828 | 5.996451 | 6.077136 | 5.971246 | 5.842889 | 6.09967 | 5.651727 | 5.516846 | 6.089609 | 4.963973 | 6.178738 | 6.005898 | 5.975583 | 5.602089 | 6.628033 | 7.140739 | 6.448808 | 6.583184 | 5.12786 | 5.245734 | 5.676061 | 6.055092 | 6.297225 | 5.740043 | 5.664121 | 5.603622 | 5.771412 | 5.210732 | 5.848783 | 5.207944 | 5.046034 | 5.065944 | 6.350409 | 6.159534 | 5.251804 | 5.58269 | 6.060695 | 5.928068 | 5.8116 | 5.824694 | 5.769518 | 5.770571 | 6.17379 | 6.132549 | 5.962426 | 6.232195 | 5.128088 | 5.767133 | 5.793887 | 6.093328 | 5.049322 | 6.69463 | 5.584868 | 5.271136 | 6.594899 | 5.572187 | 6.50688 | 6.144708 | 5.679032 | 5.749876 | 5.617883 | 6.041103 | 6.091186 | 6.011186 | 5.697722 | 6.015251 | 5.715421 | 6.148109 | 5.035558 | 6.392633 | 5.88139 | 6.327015 | 5.744128 | 5.683841 | 5.388749 | 5.482557 | 5.546902 | 5.84549 | 4.854592 | 6.038846 | 5.948321 | 5.593548 | 4.637788 | 6.072607 | 5.817493 | 5.900505 | 4.734087 | 6.004059 | 6.313198 | 6.278538 | 5.056373 | 5.927802 | 4.844196 | 4.927154 | 4.905479 | 4.709918 | 4.652563 | 5.290779 | 5.85178 | 4.896821 | 6.17835 | 6.11121 | 5.730104 | 6.082869 | 5.963234 | 5.782277 | 5.14824 | 6.15623 | 5.850262 | 5.872379 | 5.820227 | 6.047641 | 6.10914 | 6.509618 | 5.684613 | 6.302816 | 5.169428 | 4.914067 | 5.926879 | 6.059425 | 5.999017 | 5.748982 | 6.297677 | 5.84856 | 6.3215 | 5.560549 | 5.255943 | 5.519437 | 6.268116 | 6.098323 | 5.478564 | 5.945298 | 6.03957 | 5.979485 | 6.091535 | 5.878158 | 5.721761 | 5.997353 | 6.031167 | 5.627726 | 6.602959 | 6.316964 | 6.167152 | 5.742943 | 5.772726 | 5.937993 | 6.465337 | 6.120477 | 5.298254 | 6.016325 | 5.241165 | 5.914833 | 5.32872 | 5.441798 | 5.991644 | 5.824878 | 5.450996 | 6.363225 | 6.80097 | 5.022494 | 5.75198 | 4.706253 | 5.68657 | 5.755413 | 5.036793 | 6.257195 | 4.688973 | 5.784495 | 5.516782 | 5.824638 | 5.935964 | 5.582847 | 4.894341 | 5.689005 | 6.18404 | 5.920985 | 4.948192 | 5.854177 | 6.198761 | 6.124656 | 5.934374 | 6.608142 | 5.952241 | 5.865878 | 5.26551 | 5.542331 | 5.207095 | 5.826175 | 6.134434 | 6.21391 | 5.558738 | 5.988869 | 5.022928 | 6.166277 | 5.992546 | 5.375116 | 6.054264 | 5.909534 | 6.32166 | 6.108018 | 6.138271 | 6.65481 | 4.723484 | 6.256057 | 5.189253 | 5.825578 | 4.997719 | 5.883846 | 5.48735 | 5.795834 | 6.577505 | 5.205994 | 5.320886 | 5.885927 | 5.993524 | 5.841654 | 6.126143 | 6.160207 | 5.885201 | 5.82477 | 5.936434 | 5.583432 | 5.843768 | 6.022205 | 6.159782 | 6.208206 | 5.854959 | 6.01541 | 6.032814 | 5.632396 | 6.084262 | 5.854554 | 6.172312 | 5.842579 | 5.913088 | 6.201188 | 5.77599 | 5.140682 | 4.854029 | 5.846748 | 6.025766 | 6.474793 | 5.976623 | 6.258932 | 6.05054 | 5.886779 | 6.008777 | 5.869067 | 6.126118 | 5.833438 | 5.791494 | 5.952545 | 6.132111 | 6.06525 | 5.504751 | 5.719728 | 4.926261 | 6.137312 | 5.947764 | 5.975534 | 5.995732 | 6.114226 | 5.637014 | 5.273292 | 4.494626 | 6.322297 | 6.119795 | 6.305511 | 5.607736 | 6.316568 | 5.951874 | 5.845841 | 6.062818 | 6.481844 | 6.026525 | 5.851411 | 6.274903 | 5.735685 | 5.102595 | 6.103611 | 6.03534 | 5.986316 | 6.238272 | 5.777301 | 6.083941 | 5.961795 | 5.328602 | 5.774766 | 5.837889 | 6.175684 | 5.522983 | 6.09693 | 4.896889 | 6.030932 | 5.914752 | 5.876843 | 4.547184 | 5.902579 | 5.528175 | 5.378858 | 6.025426 | 5.714649 | 6.26727 | 6.042981 | 6.199653 | 6.143159 | 5.388807 | 5.901088 | 6.314886 | 5.835212 | 6.028028 | 6.241719 | 4.813353 | 6.033537 | 6.045095 | 6.199765 | 5.800234 | 5.930798 | 5.332227 | 6.264623 | 6.125774 | 5.694627 | 4.950425 | [C][C][Branch1][C][C][C][=C][C][=C][C][=Branch1][Ring2][=N][Ring1][=Branch1][N][C][=C][C][=N] | -0.784312 | Q92630 | P21860 | P04626 | 6.084262 | 7.140739 | 6.850266 |
CC(C)C1=CC(=NO1)NC(=O)NC2=CC=CC(=C2)OC3=C4C=CC(=CC4=NC=N3)OC | 6.430477 | 6.369962 | 6.782295 | 6.389485 | 6.533635 | 6.394504 | 6.616536 | 6.614442 | 6.40313 | 6.757542 | 6.409641 | 6.218641 | 6.357813 | 6.397683 | 6.357062 | 6.380448 | 6.391726 | 6.380673 | 6.400353 | 6.334367 | 6.332091 | 6.378271 | 6.57635 | 6.521407 | 6.441182 | 6.526122 | 6.708834 | 6.438796 | 6.510765 | 6.34576 | 6.569285 | 6.444421 | 6.395961 | 6.273167 | 6.499892 | 6.681862 | 6.430268 | 6.474328 | 6.404663 | 6.30853 | 6.361212 | 6.491805 | 6.504938 | 7.004407 | 6.352391 | 6.407065 | 6.561506 | 6.399534 | 6.304232 | 6.482342 | 6.776829 | 6.958988 | 6.349106 | 6.530825 | 6.476843 | 6.534489 | 6.804358 | 6.428152 | 6.640658 | 6.465762 | 6.415987 | 6.476364 | 6.426432 | 6.481209 | 6.367364 | 6.828888 | 6.655536 | 6.382507 | 6.699579 | 6.544544 | 6.338176 | 6.410403 | 6.509352 | 6.718972 | 6.403121 | 6.424473 | 6.586711 | 6.600735 | 6.427711 | 6.447433 | 6.475679 | 6.156273 | 6.806958 | 6.647011 | 7.000161 | 6.821369 | 6.37605 | 6.38906 | 6.380095 | 6.419812 | 6.48193 | 6.345253 | 6.347836 | 6.378158 | 6.512034 | 6.445656 | 6.467284 | 6.331333 | 6.444371 | 6.226422 | 6.995234 | 6.560941 | 6.552892 | 6.461543 | 6.499269 | 6.444105 | 6.492752 | 6.301216 | 6.393956 | 6.30373 | 6.62324 | 6.629033 | 6.487419 | 6.575679 | 6.304714 | 6.382434 | 6.368436 | 6.48989 | 6.10885 | 6.767241 | 6.331917 | 6.354041 | 6.498734 | 6.46845 | 6.710473 | 6.355215 | 6.446402 | 6.438447 | 6.574113 | 6.564239 | 6.263967 | 6.332361 | 6.420739 | 6.428543 | 6.785719 | 6.727314 | 6.22714 | 6.520389 | 6.774245 | 6.374495 | 6.287676 | 6.285648 | 6.371612 | 6.533001 | 6.374102 | 6.401645 | 6.507842 | 6.49301 | 6.563774 | 6.449099 | 6.47285 | 6.340657 | 6.513146 | 6.378399 | 6.475288 | 6.384963 | 6.710587 | 6.627685 | 6.413855 | 6.304542 | 6.467105 | 6.331207 | 6.31643 | 6.205682 | 6.265199 | 6.401888 | 6.701775 | 6.379272 | 6.397128 | 6.545041 | 6.552845 | 6.464714 | 6.434413 | 6.307061 | 6.434356 | 6.392228 | 6.350582 | 6.365315 | 6.467058 | 6.483599 | 6.343278 | 6.67723 | 6.521485 | 6.630382 | 6.39342 | 6.30897 | 6.495662 | 6.587698 | 6.665176 | 6.381733 | 6.599669 | 6.417862 | 6.592933 | 6.361974 | 6.682856 | 6.432295 | 6.665822 | 6.50349 | 6.607915 | 6.47366 | 6.678583 | 6.379179 | 6.476928 | 6.425345 | 6.60793 | 6.42075 | 6.50942 | 6.326286 | 6.638467 | 6.337413 | 6.510159 | 6.531331 | 6.526874 | 6.516521 | 6.368116 | 6.435909 | 6.296878 | 6.34548 | 6.419653 | 6.517094 | 6.426003 | 6.260689 | 6.562877 | 6.350052 | 6.406717 | 6.555918 | 6.444569 | 6.429787 | 6.59433 | 6.306262 | 6.358986 | 6.649518 | 6.291162 | 7.033955 | 6.431137 | 6.56693 | 6.402879 | 6.422711 | 6.487913 | 6.761755 | 6.202968 | 6.35785 | 6.446922 | 6.524711 | 6.260156 | 6.571233 | 6.569609 | 6.555825 | 6.411187 | 6.706167 | 6.385796 | 6.69376 | 6.320577 | 6.354877 | 6.599587 | 6.38437 | 6.509774 | 6.593106 | 6.45204 | 6.598235 | 6.323461 | 6.596095 | 6.422009 | 6.431481 | 6.510707 | 6.513818 | 6.563176 | 6.640545 | 6.576967 | 6.700773 | 6.382904 | 6.603841 | 6.426839 | 6.672996 | 6.397223 | 6.34269 | 6.222575 | 6.412219 | 6.49689 | 6.473061 | 6.577332 | 6.3294 | 6.60506 | 6.686086 | 6.477698 | 6.391211 | 6.57415 | 6.340452 | 6.563253 | 6.394971 | 6.421055 | 6.730653 | 6.300286 | 6.509127 | 6.331353 | 6.557464 | 6.547879 | 6.316808 | 6.492456 | 6.329662 | 6.684409 | 6.371434 | 6.64822 | 6.333591 | 6.378788 | 6.470824 | 6.401845 | 6.400584 | 6.420805 | 6.578662 | 6.261806 | 6.613198 | 6.664503 | 6.389211 | 6.582417 | 6.345982 | 6.244417 | 6.439599 | 6.596893 | 6.666414 | 6.616942 | 6.471833 | 6.424872 | 6.461755 | 6.386301 | 6.503379 | 6.346104 | 6.462401 | 6.508678 | 6.365239 | 6.4908 | 6.436356 | 6.463088 | 6.703163 | 6.503987 | 6.572714 | 6.475476 | 6.631483 | 6.35642 | 6.481569 | 6.762573 | 6.403186 | 6.494526 | 6.402315 | 6.29147 | 6.543538 | 6.488195 | 6.486689 | 6.381056 | 6.525256 | 6.744291 | 6.450771 | 6.495498 | 6.528422 | 6.414495 | 6.542542 | 6.365971 | 6.718986 | 6.422339 | 6.382223 | 6.400677 | 6.458799 | 6.494644 | 6.40446 | 6.258937 | 6.447118 | 6.437994 | 6.261134 | 6.385627 | 6.732434 | 6.608049 | 6.521723 | 6.859716 | 6.556472 | 6.454556 | 6.380371 | 6.918591 | 6.517169 | 6.4213 | 6.607629 | 6.356802 | 6.388069 | 6.375611 | 6.347585 | 6.696122 | 6.546868 | 6.411252 | 6.589211 | 6.457909 | 6.566274 | 6.35082 | [C][C][Branch1][C][C][C][=C][C][=Branch1][Branch1][=N][O][Ring1][Branch1][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][=C][C][=C][C][=Branch1][#Branch2][=C][C][Ring1][=Branch1][=N][C][=N][Ring1][#Branch2][O][C] | -0.494122 | Q92630 | Q16288 | P04629 | 6.492456 | 7.033955 | 7.004407 |
CN(C)C/C=C/C(=O)NC1=CC2=C(C=C1O[C@H1]3CCOC3)N=CN=C2NC=CC=CC=C | 7.696321 | 7.779288 | 8.05788 | 7.75276 | 7.930529 | 7.799949 | 7.774038 | 7.837396 | 7.858597 | 7.781726 | 7.652153 | 7.924086 | 7.668238 | 7.865119 | 7.771608 | 7.476986 | 7.748854 | 7.677205 | 7.674763 | 7.610962 | 7.744946 | 7.563573 | 7.85241 | 7.924459 | 7.739666 | 7.791962 | 7.889259 | 7.835311 | 7.673442 | 7.723949 | 7.829674 | 7.777353 | 7.708508 | 7.69693 | 7.786738 | 7.800566 | 8.04484 | 7.695246 | 7.856845 | 7.880478 | 7.920862 | 8.003063 | 8.088561 | 7.957994 | 7.507063 | 7.663206 | 8.001148 | 7.7632 | 7.801003 | 7.600127 | 7.865173 | 7.938807 | 7.78329 | 7.822781 | 7.821339 | 8.003466 | 8.11711 | 7.899819 | 8.136696 | 7.535345 | 7.786963 | 7.987977 | 7.928089 | 7.593736 | 7.877299 | 7.993452 | 7.924709 | 7.952947 | 8.10857 | 7.991818 | 8.014606 | 7.918357 | 7.676233 | 7.815993 | 7.697541 | 7.693801 | 7.733364 | 7.963523 | 7.938817 | 7.758681 | 7.715424 | 7.668911 | 7.96654 | 8.016305 | 7.980338 | 8.046703 | 7.706684 | 7.606698 | 7.768995 | 7.778167 | 7.533561 | 7.71698 | 7.826451 | 7.631751 | 7.765656 | 7.745566 | 7.869212 | 7.7483 | 7.845985 | 7.710485 | 7.964375 | 8.005863 | 7.728598 | 7.767085 | 7.998245 | 7.684352 | 7.978205 | 7.730222 | 7.871715 | 7.710634 | 7.898204 | 7.807394 | 8.004805 | 7.631078 | 7.683467 | 7.749433 | 7.692005 | 7.920058 | 7.538085 | 8.131387 | 7.940804 | 7.80172 | 8.121359 | 7.776127 | 8.012125 | 7.943121 | 7.779068 | 7.770855 | 7.841784 | 7.665301 | 7.786337 | 7.307447 | 7.790302 | 7.719988 | 7.7521 | 7.946947 | 7.797225 | 7.777912 | 7.99307 | 7.862446 | 7.657407 | 7.730088 | 7.849251 | 7.858443 | 7.645082 | 7.844974 | 7.892627 | 7.802516 | 7.999578 | 7.87453 | 7.744696 | 8.037352 | 7.815506 | 7.740382 | 7.849741 | 7.693372 | 7.766477 | 7.813369 | 7.632873 | 7.540092 | 7.923225 | 7.771693 | 7.689887 | 7.722071 | 7.746173 | 7.699283 | 7.940947 | 7.706573 | 7.888178 | 7.721897 | 7.790922 | 7.881215 | 7.660116 | 7.793375 | 7.782982 | 7.451931 | 7.512559 | 7.802337 | 7.980969 | 7.968126 | 7.877962 | 7.926594 | 7.75264 | 7.857235 | 7.800117 | 7.825173 | 7.753423 | 7.980072 | 7.906972 | 7.659937 | 7.871849 | 7.863155 | 7.752125 | 7.926063 | 7.756106 | 7.825366 | 7.825327 | 7.615114 | 8.033045 | 7.659094 | 7.917101 | 7.755395 | 7.618458 | 7.59885 | 7.833369 | 7.749663 | 7.777001 | 7.600451 | 7.790017 | 7.632157 | 7.776893 | 7.760878 | 7.735336 | 7.755644 | 7.877164 | 7.96823 | 7.872666 | 7.734318 | 7.609662 | 7.961486 | 7.813198 | 7.852618 | 7.93957 | 8.00301 | 7.736306 | 8.028164 | 7.959154 | 7.768728 | 7.881835 | 7.973355 | 7.45045 | 7.782332 | 7.894494 | 8.083378 | 7.68103 | 7.708899 | 7.64507 | 7.688843 | 7.898419 | 7.859614 | 7.587224 | 7.742965 | 7.795597 | 7.921556 | 7.788897 | 7.765607 | 7.634592 | 8.017531 | 7.866376 | 7.917756 | 7.818152 | 8.024335 | 7.91327 | 7.999764 | 7.993739 | 7.77518 | 8.051862 | 8.023844 | 7.732749 | 7.731737 | 7.882036 | 7.719106 | 7.856438 | 7.765561 | 7.829636 | 7.826227 | 7.865551 | 7.87613 | 7.783702 | 8.019184 | 7.856913 | 7.765805 | 7.782107 | 7.682564 | 7.673569 | 7.84714 | 7.541221 | 7.88398 | 7.920833 | 7.876217 | 7.783053 | 7.833255 | 7.814032 | 7.700142 | 7.697225 | 7.895159 | 7.732227 | 7.774051 | 7.924571 | 7.908094 | 7.860728 | 7.962501 | 8.011219 | 7.958821 | 7.569458 | 7.924604 | 7.762743 | 7.832195 | 7.677182 | 7.72125 | 7.952516 | 7.832251 | 8.043549 | 7.909791 | 7.827653 | 7.761201 | 7.689896 | 7.819817 | 7.996629 | 8.016746 | 7.948802 | 8.031452 | 7.903267 | 7.671198 | 7.885622 | 7.948299 | 7.833883 | 7.933215 | 7.723091 | 7.844561 | 7.947094 | 7.994746 | 7.74774 | 7.879858 | 7.552534 | 7.949951 | 7.679087 | 7.810477 | 7.696537 | 7.989334 | 7.934828 | 7.807525 | 7.794289 | 7.774279 | 7.77933 | 7.784265 | 7.720547 | 7.806378 | 7.682009 | 7.863363 | 7.829911 | 7.84001 | 8.094078 | 7.705922 | 8.002177 | 7.922114 | 7.670234 | 7.643083 | 8.017956 | 7.994771 | 8.079391 | 8.066295 | 7.961445 | 7.887706 | 7.695854 | 7.86059 | 7.891258 | 7.986568 | 7.748955 | 7.782433 | 7.698854 | 7.849765 | 7.840189 | 7.715385 | 7.594968 | 7.744125 | 7.91853 | 7.796881 | 7.810199 | 7.863474 | 7.864331 | 7.819941 | 7.946866 | 7.647087 | 7.692991 | 7.928452 | 8.022833 | 7.790541 | 7.794737 | 7.981596 | 7.774716 | 7.626482 | 7.650373 | 7.692443 | 7.649196 | 7.834244 | 7.922085 | 7.869653 | 7.886654 | 7.870227 | 7.876479 | [C][N][Branch1][C][C][C][/C][=C][/C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=N][C][=C][Ring1][=Branch1][O][C@H1][C][C][O][C][Ring1][Branch1][N][=C][N][=C][Ring1][=C][N][C][=C][C][=C][C][=C] | -0.429688 | Q92630 | P08922 | P41240 | 7.677182 | 8.136696 | 8.131387 |
CCN1CCN(CC1)CC2=CC=C(N=C2)NC3=NC=CC(=N3)C=CC | 7.135063 | 7.310759 | 7.63719 | 7.152572 | 7.118202 | 7.099594 | 7.286924 | 7.021499 | 7.515236 | 7.049451 | 6.768899 | 7.444276 | 6.733906 | 7.336558 | 7.209438 | 6.886455 | 7.154472 | 6.942157 | 6.912247 | 6.874929 | 7.218097 | 6.777308 | 7.120327 | 7.636495 | 6.982121 | 7.31008 | 7.323166 | 7.080587 | 7.056169 | 7.239659 | 7.432018 | 7.432914 | 7.494437 | 7.223354 | 7.221271 | 7.275765 | 7.293064 | 6.758463 | 7.40473 | 7.067256 | 7.486128 | 7.127285 | 7.418843 | 7.537099 | 6.628193 | 6.544825 | 7.048607 | 7.435228 | 6.957174 | 7.234828 | 7.018848 | 7.510532 | 7.188367 | 7.258362 | 7.182774 | 6.517001 | 7.589129 | 7.240182 | 7.505689 | 7.267812 | 7.09707 | 7.560555 | 7.196434 | 7.201895 | 7.526293 | 7.451641 | 7.36682 | 7.029317 | 7.257507 | 7.375019 | 7.563803 | 7.223096 | 7.223879 | 6.867381 | 6.880966 | 7.195061 | 7.303878 | 7.516325 | 7.61556 | 7.227973 | 7.240151 | 7.226508 | 7.479548 | 7.392231 | 7.367022 | 7.439373 | 7.210995 | 7.09306 | 7.39377 | 7.1651 | 7.52254 | 7.539018 | 6.844267 | 7.185372 | 7.090892 | 7.285514 | 7.140764 | 7.171291 | 6.888986 | 7.007041 | 7.445627 | 7.579631 | 7.191914 | 7.047087 | 7.038939 | 7.259914 | 7.480374 | 7.385316 | 7.312303 | 7.555453 | 7.389834 | 7.310883 | 7.042986 | 7.463178 | 7.148726 | 7.094807 | 7.013869 | 7.255448 | 7.346521 | 7.534158 | 7.017881 | 7.377488 | 7.68308 | 6.996331 | 7.289795 | 7.299952 | 7.013785 | 7.296925 | 7.367012 | 7.585144 | 7.384435 | 7.180296 | 7.229319 | 7.436143 | 7.414876 | 7.359859 | 7.301569 | 7.570487 | 7.349585 | 7.299095 | 7.231048 | 7.072609 | 7.390685 | 7.31828 | 7.254803 | 7.276244 | 7.337528 | 7.547385 | 7.408004 | 7.058799 | 7.148112 | 7.629312 | 7.362846 | 7.353879 | 6.598603 | 6.895361 | 7.243344 | 7.449143 | 6.982223 | 6.983429 | 7.195393 | 6.822394 | 6.94357 | 6.69955 | 6.938108 | 6.966726 | 7.529395 | 6.949895 | 7.524761 | 7.51359 | 7.159874 | 7.051787 | 7.306334 | 7.25372 | 7.242089 | 7.436642 | 7.229122 | 7.198119 | 7.165668 | 7.378409 | 7.218503 | 7.355195 | 7.184104 | 7.410382 | 7.089092 | 7.304019 | 6.922815 | 7.509278 | 7.39132 | 7.274776 | 7.42864 | 7.160089 | 7.266665 | 7.02982 | 7.185935 | 7.31007 | 7.054342 | 7.249912 | 7.348256 | 6.928017 | 7.259461 | 7.538149 | 7.012784 | 7.197069 | 6.811482 | 7.069465 | 6.665752 | 6.339195 | 7.402208 | 7.294216 | 7.584651 | 7.324524 | 7.293463 | 7.380245 | 7.518484 | 6.87361 | 7.114728 | 7.440111 | 6.721709 | 7.315994 | 6.88616 | 7.364522 | 7.350864 | 7.595798 | 7.260585 | 7.512926 | 7.524717 | 7.16007 | 7.651651 | 7.344045 | 7.094176 | 7.247022 | 7.491115 | 7.790588 | 6.650577 | 6.970767 | 6.964418 | 7.264695 | 6.894519 | 7.400978 | 6.964694 | 7.234392 | 7.32869 | 7.15048 | 6.659667 | 7.284932 | 7.297356 | 7.354234 | 6.974821 | 7.539786 | 7.123949 | 7.48067 | 6.907094 | 7.118321 | 7.350101 | 7.009996 | 7.421858 | 7.468462 | 7.484942 | 6.989504 | 7.208014 | 7.361671 | 7.336408 | 7.161183 | 7.066417 | 7.169079 | 7.420661 | 7.276696 | 7.340736 | 7.564195 | 6.595712 | 7.357275 | 6.622457 | 6.893571 | 7.030174 | 6.943521 | 7.05862 | 7.344673 | 7.640076 | 7.613631 | 7.125438 | 7.227351 | 7.108384 | 7.415323 | 7.291875 | 7.537475 | 7.309325 | 7.535037 | 7.501135 | 7.34585 | 7.309997 | 7.574419 | 7.562036 | 7.555649 | 7.16538 | 7.375021 | 7.224544 | 7.343569 | 7.088634 | 7.15514 | 7.478433 | 7.286741 | 7.195884 | 7.551255 | 7.30252 | 6.876802 | 6.873057 | 7.351955 | 7.349388 | 7.267893 | 7.445254 | 7.324849 | 7.56413 | 7.339868 | 7.464846 | 7.243958 | 7.473126 | 7.328821 | 7.320838 | 7.244666 | 7.555285 | 7.553422 | 7.549929 | 7.260735 | 6.82408 | 7.142092 | 7.082204 | 7.079342 | 7.385027 | 7.739228 | 7.310459 | 7.295723 | 6.773456 | 7.433423 | 7.111638 | 7.426179 | 7.355008 | 7.408501 | 7.175398 | 7.228033 | 7.488969 | 7.232938 | 7.543745 | 7.170712 | 7.540483 | 7.076934 | 6.936567 | 7.17496 | 7.387861 | 7.120912 | 7.735036 | 7.472996 | 7.032398 | 7.331681 | 7.363444 | 7.073462 | 7.390325 | 7.409318 | 7.11413 | 7.334203 | 6.82992 | 7.086001 | 7.219863 | 7.103248 | 7.176553 | 7.235267 | 7.379728 | 7.34627 | 7.065578 | 7.369316 | 7.39081 | 7.194079 | 7.420867 | 7.396853 | 7.076457 | 7.480298 | 7.199769 | 7.406528 | 7.109944 | 7.597161 | 7.366233 | 7.32383 | 7.191565 | 7.352975 | 6.770268 | 7.236363 | 6.94147 | 7.322329 | 7.066907 | 7.121953 | 6.98353 | [C][C][N][C][C][N][Branch1][Branch1][C][C][Ring1][=Branch1][C][C][=C][C][=C][Branch1][Branch1][N][=C][Ring1][=Branch1][N][C][=N][C][=C][C][=Branch1][Ring2][=N][Ring1][=Branch1][C][=C][C] | -0.605607 | Q92630 | Q16288 | Q9C098 | 7.088634 | 7.790588 | 7.739228 |
CN1CCN(CC1)C2=CC=C(C=C2F)NC3=NC4=C(C=C[NH1]4)C=N3 | 7.171693 | 7.559548 | 7.915174 | 7.082467 | 7.486651 | 7.374181 | 7.41916 | 7.012875 | 7.730282 | 7.043194 | 7.038908 | 7.581118 | 7.106767 | 7.510813 | 7.472768 | 7.118032 | 7.277139 | 7.191204 | 6.940079 | 6.980662 | 7.49822 | 7.057821 | 7.211073 | 7.796288 | 6.887011 | 7.184494 | 7.26959 | 7.344082 | 7.263747 | 7.308583 | 7.437443 | 7.40252 | 7.567156 | 7.545615 | 7.330342 | 7.388454 | 7.457213 | 7.142568 | 7.5144 | 6.982371 | 7.52771 | 7.444193 | 7.355889 | 7.625488 | 6.642919 | 6.467535 | 6.20484 | 7.216847 | 6.882468 | 7.405522 | 7.092766 | 7.566633 | 7.24653 | 7.341642 | 7.282 | 5.90545 | 7.593504 | 7.460773 | 7.530582 | 7.01992 | 7.053798 | 7.552488 | 7.405322 | 7.090431 | 7.709044 | 7.461786 | 7.454403 | 7.146845 | 6.652966 | 7.562177 | 7.636772 | 7.284791 | 7.20253 | 6.850725 | 6.82079 | 7.026519 | 7.043324 | 7.741941 | 7.819677 | 7.334771 | 7.141813 | 7.109589 | 7.38932 | 7.583546 | 7.467522 | 7.554558 | 7.118083 | 6.859894 | 7.506236 | 6.920413 | 7.468381 | 7.514458 | 7.406163 | 7.410515 | 7.14631 | 7.504538 | 7.061252 | 7.374582 | 7.176657 | 7.234311 | 7.494298 | 7.69521 | 7.262546 | 6.726687 | 7.360069 | 7.397101 | 7.83302 | 7.367224 | 7.285226 | 7.550564 | 7.315811 | 7.200403 | 7.126998 | 7.306473 | 7.512489 | 7.466754 | 7.404785 | 7.563097 | 7.472179 | 7.447013 | 6.860662 | 7.172047 | 7.615889 | 7.008045 | 7.403709 | 7.184484 | 7.104905 | 7.404874 | 7.352106 | 7.504035 | 7.401984 | 7.109653 | 7.384134 | 7.647338 | 7.431921 | 7.528554 | 7.30942 | 7.578357 | 7.586967 | 7.419513 | 7.212307 | 7.069676 | 7.491906 | 7.474961 | 7.102869 | 7.523169 | 7.382604 | 7.621699 | 7.597138 | 7.336288 | 7.067993 | 7.66564 | 7.348719 | 7.644691 | 6.736718 | 7.051922 | 7.245286 | 7.496687 | 7.147721 | 6.932545 | 7.284164 | 7.236287 | 7.080752 | 6.881217 | 6.72901 | 7.058746 | 7.456724 | 6.995042 | 7.71982 | 7.575469 | 7.312032 | 7.289508 | 7.493004 | 7.369107 | 7.641906 | 7.480436 | 7.44655 | 7.020813 | 7.233652 | 7.478644 | 7.290011 | 7.193154 | 7.514561 | 7.459746 | 7.353605 | 7.169149 | 6.78219 | 7.591526 | 7.04028 | 7.339667 | 7.467908 | 7.225988 | 7.294027 | 7.581951 | 7.225811 | 7.401772 | 7.108854 | 7.192751 | 7.397486 | 7.16653 | 7.177222 | 7.568644 | 7.172338 | 7.116152 | 6.992814 | 7.152594 | 6.675067 | 6.487705 | 7.371337 | 7.41298 | 7.542475 | 7.047743 | 7.052891 | 7.150395 | 7.553442 | 7.296624 | 7.569533 | 7.552767 | 6.895089 | 7.43764 | 7.037545 | 7.623157 | 7.520207 | 7.654488 | 7.362605 | 7.722691 | 7.548777 | 7.151321 | 7.82533 | 7.415158 | 7.183405 | 7.170835 | 7.409494 | 7.742773 | 6.434699 | 6.862357 | 7.024454 | 7.225169 | 7.079217 | 7.474043 | 7.047674 | 7.216116 | 7.370993 | 7.179276 | 6.792374 | 7.325006 | 7.358222 | 7.520463 | 7.211388 | 7.676593 | 7.195266 | 7.75248 | 7.552804 | 7.561284 | 7.652384 | 6.999101 | 7.502851 | 7.264841 | 7.356812 | 6.91469 | 7.481368 | 7.357272 | 7.274567 | 7.142701 | 7.292402 | 7.282228 | 7.474065 | 7.514241 | 7.580409 | 7.460132 | 6.876577 | 7.361918 | 6.726853 | 7.043878 | 6.976275 | 7.233973 | 7.195436 | 7.30651 | 7.634323 | 7.602209 | 7.314976 | 7.284285 | 7.21069 | 7.425398 | 7.444331 | 7.753017 | 7.438867 | 7.399736 | 7.782354 | 7.423791 | 7.238112 | 7.818743 | 7.688483 | 7.658709 | 7.197737 | 7.622557 | 7.298262 | 7.233746 | 7.332329 | 7.338776 | 7.675943 | 7.415269 | 7.262468 | 7.759137 | 7.307833 | 6.734435 | 6.93022 | 7.556088 | 7.461179 | 7.225968 | 7.581388 | 7.447925 | 7.715924 | 7.463226 | 7.575575 | 7.469069 | 7.597717 | 7.625363 | 7.493512 | 7.337823 | 7.549313 | 7.803967 | 7.428328 | 7.26784 | 6.847672 | 7.130645 | 7.329369 | 7.268244 | 7.369486 | 7.819327 | 7.457573 | 7.202725 | 6.74685 | 7.468567 | 7.373138 | 7.413621 | 7.332909 | 7.426799 | 7.331357 | 7.361679 | 7.54398 | 7.386632 | 7.689841 | 7.235079 | 7.722918 | 7.052703 | 7.186891 | 7.347364 | 7.529243 | 7.353652 | 7.706371 | 7.353973 | 7.373164 | 7.607488 | 7.17031 | 7.209716 | 7.352886 | 7.394342 | 7.107776 | 7.522945 | 7.256377 | 7.464788 | 7.357684 | 7.317147 | 7.226081 | 7.321216 | 7.510321 | 7.543576 | 7.161317 | 7.401128 | 7.461763 | 7.461453 | 7.455244 | 7.602406 | 7.19088 | 7.690604 | 7.198168 | 7.280197 | 6.900826 | 7.76256 | 7.106569 | 7.482399 | 7.338581 | 7.38318 | 6.927958 | 7.527294 | 7.458845 | 7.302319 | 7.478752 | 7.241426 | 7.314156 | [C][N][C][C][N][Branch1][Branch1][C][C][Ring1][=Branch1][C][=C][C][=C][Branch1][=Branch1][C][=C][Ring1][=Branch1][F][N][C][=N][C][=C][Branch1][=Branch1][C][=C][NH1][Ring1][Branch1][C][=N][Ring1][=Branch2] | -0.52473 | Q92630 | O00311 | P33981 | 7.332329 | 7.915174 | 7.83302 |
C[C@@H1]C1=NC2=CC=CC=C2C(=O)N1C=CC=CC | 6.014159 | 6.098032 | 6.536647 | 6.05273 | 6.335169 | 6.204633 | 6.159421 | 6.124314 | 6.265973 | 6.159641 | 6.116529 | 5.962886 | 6.112921 | 6.080757 | 6.098178 | 5.948892 | 6.098531 | 6.148136 | 6.005659 | 6.144738 | 6.146216 | 6.017129 | 6.078104 | 6.119895 | 6.021944 | 6.105948 | 6.353305 | 6.176753 | 6.100289 | 6.06044 | 6.121978 | 6.099082 | 6.234271 | 6.120327 | 6.055702 | 6.19339 | 6.192911 | 6.0628 | 6.088489 | 6.110237 | 6.262799 | 6.201524 | 6.304183 | 6.651514 | 5.99156 | 6.089342 | 6.185122 | 6.120138 | 6.053416 | 6.124875 | 6.136808 | 6.434483 | 6.045588 | 6.196486 | 6.168816 | 6.234013 | 6.335638 | 6.156672 | 6.545392 | 6.099 | 6.094022 | 6.271059 | 6.1039 | 6.168258 | 6.004906 | 6.235904 | 6.342709 | 6.039794 | 6.21955 | 6.165798 | 6.031951 | 6.232401 | 6.158865 | 6.212615 | 6.038114 | 6.034721 | 6.048179 | 6.253494 | 6.153142 | 6.128541 | 6.178916 | 5.961539 | 6.249453 | 6.346838 | 6.272681 | 6.260148 | 5.977952 | 6.027697 | 6.100523 | 6.041677 | 6.291016 | 6.116868 | 6.096755 | 6.132125 | 5.923712 | 6.154034 | 5.966049 | 6.050745 | 6.093522 | 6.015568 | 6.384595 | 6.290355 | 6.237419 | 6.150067 | 6.127202 | 6.094785 | 6.231835 | 6.114159 | 6.204691 | 6.114528 | 6.098809 | 6.097045 | 6.171181 | 6.26999 | 5.595022 | 6.150457 | 6.087861 | 6.339678 | 5.553669 | 6.491361 | 6.199681 | 5.949585 | 6.345622 | 6.162608 | 6.398964 | 6.181413 | 6.084262 | 6.110765 | 6.164748 | 6.180038 | 6.212701 | 6.238679 | 6.057989 | 6.140047 | 6.15744 | 6.196893 | 6.02951 | 6.355464 | 6.187797 | 6.206715 | 5.94441 | 5.92316 | 6.100621 | 6.120064 | 5.944852 | 6.175469 | 6.217317 | 6.18331 | 6.202608 | 6.107605 | 6.101056 | 6.132401 | 6.253447 | 6.119 | 6.063555 | 6.063581 | 6.278926 | 6.225772 | 6.060133 | 6.195571 | 5.999444 | 5.999792 | 6.005818 | 5.463717 | 5.780812 | 6.095632 | 6.251048 | 5.983916 | 6.182288 | 6.191026 | 6.126567 | 6.123701 | 6.210975 | 6.056801 | 6.209982 | 6.080518 | 6.126524 | 6.122276 | 6.112539 | 6.281759 | 6.099059 | 6.184559 | 6.245388 | 6.171974 | 6.074927 | 5.574142 | 6.043715 | 6.243011 | 6.342968 | 6.080009 | 6.323779 | 6.053305 | 6.340302 | 6.115288 | 6.062078 | 6.109218 | 6.378751 | 6.205671 | 6.118071 | 6.045552 | 6.250994 | 6.176051 | 6.059286 | 6.162094 | 6.148864 | 6.139219 | 6.06206 | 5.958275 | 6.311827 | 6.087455 | 6.287828 | 6.085421 | 6.069038 | 6.118765 | 6.190094 | 6.123703 | 6.133879 | 6.12641 | 6.076313 | 6.267086 | 6.046522 | 6.20984 | 6.25424 | 6.073606 | 6.12468 | 6.182121 | 6.228207 | 6.04316 | 6.329276 | 6.021977 | 6.076308 | 6.147868 | 5.999165 | 6.52457 | 5.877947 | 6.007014 | 5.948099 | 6.067195 | 6.109542 | 6.268054 | 5.782207 | 6.041498 | 6.143393 | 6.07773 | 5.854073 | 6.096378 | 6.270034 | 6.242883 | 6.137496 | 6.349021 | 6.104557 | 6.218058 | 6.106681 | 6.139356 | 6.137696 | 6.065581 | 6.179515 | 6.12276 | 6.052592 | 6.100626 | 6.091942 | 6.323653 | 6.187977 | 5.892354 | 6.155074 | 6.126781 | 6.2319 | 6.204638 | 6.116657 | 6.250604 | 5.975808 | 6.285327 | 6.071802 | 6.125799 | 5.97204 | 6.085782 | 5.926612 | 5.990802 | 6.308712 | 6.086404 | 6.09252 | 6.035446 | 6.114164 | 6.169548 | 6.203 | 6.194939 | 6.217679 | 6.134287 | 6.109707 | 6.036596 | 5.974463 | 6.253793 | 6.130082 | 6.176193 | 6.0525 | 6.264446 | 6.201766 | 6.034554 | 6.030507 | 6.23783 | 6.22491 | 5.986369 | 6.141163 | 6.222048 | 5.973313 | 6.005353 | 5.748339 | 6.040572 | 6.126877 | 6.195242 | 6.133351 | 6.28949 | 6.351264 | 6.147855 | 6.254306 | 6.06391 | 6.017082 | 6.268823 | 6.201974 | 6.092696 | 6.278466 | 6.044657 | 6.292548 | 6.178808 | 6.074289 | 6.195615 | 6.090721 | 6.041625 | 6.155315 | 6.113719 | 6.081766 | 5.992817 | 6.019263 | 6.168047 | 6.163248 | 6.310853 | 6.238072 | 6.320735 | 6.111512 | 6.101374 | 6.335023 | 6.204502 | 6.051784 | 6.008433 | 6.140979 | 6.277151 | 6.069257 | 6.1839 | 6.192311 | 6.169608 | 6.21885 | 6.111467 | 6.146589 | 6.196325 | 6.11836 | 6.212645 | 6.052087 | 6.3011 | 5.918616 | 6.18637 | 6.048833 | 6.256174 | 6.123303 | 6.083055 | 5.969391 | 6.03859 | 6.085144 | 6.176316 | 6.094531 | 6.213622 | 6.211367 | 6.181685 | 6.390402 | 6.166424 | 6.036332 | 6.186514 | 6.179503 | 6.147995 | 6.141608 | 6.17677 | 5.971978 | 6.123155 | 6.081226 | 6.170917 | 6.07062 | 6.205958 | 6.11722 | 6.180119 | 6.304029 | 6.182286 | 6.109553 | [C][C@@H1][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][O][C][=C][C][=C][C] | -0.551829 | Q92630 | P04629 | P08922 | 6.030507 | 6.651514 | 6.545392 |
CC#CC(=O)N1CCC[C@H1]1C2=NC(=C3N2C=CN=C3N)C=CC | 7.813976 | 8.164445 | 8.000083 | 7.57086 | 8.023272 | 7.653131 | 7.660341 | 7.952977 | 8.069529 | 7.220866 | 7.628451 | 8.110322 | 7.760705 | 8.132822 | 7.769769 | 7.421385 | 7.602886 | 7.834123 | 7.511481 | 7.667248 | 7.838315 | 7.660939 | 7.629797 | 8.254326 | 7.946096 | 7.938041 | 8.17081 | 7.926078 | 7.701901 | 7.821 | 7.897701 | 7.682821 | 7.867508 | 7.829971 | 7.850803 | 7.722117 | 8.072081 | 7.709159 | 8.011419 | 8.093248 | 8.367414 | 7.943653 | 8.52437 | 8.108175 | 7.207719 | 7.340673 | 7.365047 | 7.992174 | 7.555254 | 7.476398 | 7.735609 | 7.812643 | 7.739078 | 7.825495 | 7.880419 | 7.465048 | 7.96107 | 7.664402 | 8.074522 | 6.811717 | 7.529121 | 8.105271 | 8.173 | 7.159702 | 8.26719 | 7.890293 | 8.216689 | 7.660182 | 7.810628 | 7.990387 | 8.038982 | 7.925473 | 7.051224 | 7.495257 | 7.225619 | 7.848547 | 7.313466 | 8.239627 | 8.035036 | 7.782996 | 7.9325 | 8.15795 | 8.085515 | 8.215045 | 7.867774 | 8.228828 | 7.952837 | 7.741655 | 8.066081 | 7.591778 | 7.632046 | 7.94571 | 7.825185 | 7.987916 | 7.572415 | 8.174663 | 8.077482 | 8.040883 | 8.047496 | 7.956977 | 7.69165 | 8.282362 | 7.789467 | 8.035142 | 8.168371 | 7.971153 | 7.94539 | 8.006511 | 7.709239 | 7.955758 | 7.501514 | 7.47896 | 7.556726 | 7.143262 | 8.291037 | 8.114376 | 8.073467 | 8.115953 | 8.15366 | 7.934147 | 7.783696 | 8.083179 | 8.336744 | 7.365845 | 7.932728 | 8.128364 | 7.216302 | 8.040563 | 8.082902 | 8.12395 | 7.907666 | 7.360082 | 7.742358 | 7.410634 | 7.864949 | 7.981137 | 7.922126 | 7.618709 | 7.978525 | 7.77642 | 7.779963 | 7.596918 | 7.775292 | 7.879529 | 7.834491 | 7.85931 | 7.817053 | 8.003963 | 8.027075 | 7.952471 | 7.585753 | 7.853475 | 7.569475 | 7.478904 | 7.616601 | 7.724591 | 7.788159 | 7.938383 | 7.957179 | 7.727645 | 7.88233 | 7.933247 | 7.824728 | 7.767781 | 7.987435 | 7.811296 | 7.599738 | 7.541297 | 7.933904 | 7.838909 | 7.658202 | 7.679334 | 7.801578 | 8.07552 | 8.109148 | 7.649757 | 7.581757 | 7.61897 | 7.74853 | 7.83795 | 7.704733 | 7.786939 | 8.084795 | 7.571273 | 7.920094 | 8.122051 | 7.462895 | 8.092714 | 7.712706 | 7.860585 | 7.887009 | 7.627472 | 7.360774 | 8.087235 | 7.564332 | 7.76058 | 8.062313 | 7.386693 | 8.012678 | 7.780078 | 7.813132 | 8.096004 | 7.630219 | 7.332158 | 7.66678 | 7.693752 | 7.779294 | 7.61403 | 8.073908 | 7.979751 | 8.187173 | 7.186768 | 7.174118 | 7.4096 | 8.105274 | 7.994604 | 7.997073 | 7.673511 | 7.517357 | 7.970878 | 7.84227 | 7.838035 | 8.11374 | 8.169623 | 7.753973 | 7.973 | 8.46229 | 7.836844 | 8.211777 | 8.307847 | 7.620304 | 7.830617 | 8.022987 | 7.967847 | 7.410511 | 7.693914 | 7.830108 | 7.588202 | 7.670581 | 7.51677 | 7.812969 | 7.792822 | 7.721126 | 7.579597 | 7.649468 | 7.488202 | 7.314939 | 8.00771 | 7.800997 | 7.606228 | 7.699681 | 8.181941 | 8.099725 | 8.096858 | 8.068674 | 7.765322 | 8.022916 | 8.066918 | 7.967388 | 7.670444 | 8.002594 | 8.010826 | 8.066342 | 7.696409 | 7.60106 | 7.831533 | 7.818372 | 7.83379 | 8.289293 | 8.105943 | 7.796298 | 7.580991 | 7.626555 | 7.495114 | 7.475863 | 8.093019 | 8.017661 | 8.134388 | 7.914656 | 7.964223 | 7.84966 | 7.798634 | 7.460516 | 7.874076 | 7.479959 | 7.957523 | 7.936974 | 7.943818 | 7.991096 | 7.984562 | 8.110832 | 8.375065 | 7.787967 | 8.196835 | 7.742709 | 7.790832 | 7.665455 | 7.954654 | 7.660429 | 7.668873 | 8.110146 | 7.964163 | 7.929491 | 7.927848 | 7.818511 | 7.744766 | 7.459102 | 8.262143 | 7.912517 | 7.751001 | 7.909437 | 7.786182 | 8.09247 | 7.769883 | 8.290668 | 8.033033 | 8.079062 | 7.845301 | 7.699932 | 8.114448 | 7.871641 | 8.001839 | 7.494655 | 8.185466 | 7.455935 | 7.745194 | 7.821079 | 7.703263 | 7.789322 | 7.970983 | 7.78336 | 7.855475 | 7.654218 | 7.654772 | 7.53999 | 7.628256 | 8.053712 | 7.708651 | 7.869634 | 8.096919 | 8.175003 | 7.699355 | 8.155095 | 7.942119 | 7.762943 | 7.729864 | 7.449593 | 7.672747 | 7.876327 | 7.929484 | 8.143294 | 7.840919 | 7.903407 | 7.724664 | 7.579695 | 7.964918 | 8.149399 | 7.922275 | 7.614457 | 7.870595 | 7.71063 | 7.953456 | 8.093987 | 7.87186 | 8.137723 | 7.962031 | 8.2554 | 7.834579 | 7.994085 | 7.690826 | 7.8023 | 7.831501 | 7.940767 | 7.773038 | 7.796583 | 7.93959 | 7.659434 | 7.395188 | 8.159765 | 8.02437 | 7.972661 | 7.860755 | 7.892006 | 8.039601 | 7.378647 | 8.266842 | 7.950241 | 7.567185 | 7.973052 | 7.730825 | 7.806783 | [C][C][#C][C][=Branch1][C][=O][N][C][C][C][C@H1][Ring1][Branch1][C][=N][C][=Branch1][N][=C][N][Ring1][Branch1][C][=C][N][=C][Ring1][=Branch1][N][C][=C][C] | -0.698283 | Q92630 | P04626 | Q15303 | 7.660429 | 8.52437 | 8.46229 |
CC1=CC=CC=C1N2C=C(C=N2)C(=O)C3=CC=CC(=C3)C#N | 6.086746 | 6.077548 | 6.38848 | 6.070467 | 6.237641 | 6.054486 | 6.215136 | 6.19956 | 6.111483 | 6.202875 | 6.165861 | 6.082641 | 5.738676 | 6.049303 | 6.034228 | 6.087604 | 6.147614 | 6.171185 | 6.052015 | 6.015953 | 6.111261 | 6.119049 | 6.122902 | 6.085615 | 6.104199 | 6.076385 | 6.085382 | 6.025004 | 6.135302 | 6.012015 | 6.080681 | 6.068971 | 6.092276 | 6.05377 | 6.11357 | 6.210433 | 6.193054 | 6.081135 | 6.044599 | 6.089777 | 6.083549 | 6.139306 | 6.177373 | 6.241816 | 5.937158 | 6.084711 | 6.309456 | 6.028409 | 5.943999 | 6.15174 | 6.264674 | 6.348053 | 6.012074 | 6.094253 | 6.105205 | 6.272913 | 6.292007 | 6.184435 | 6.305203 | 6.03044 | 6.014856 | 6.083863 | 6.070178 | 6.058634 | 6.074237 | 6.305022 | 6.124697 | 6.047115 | 6.328415 | 6.073111 | 6.054926 | 6.106279 | 6.018468 | 6.141535 | 6.128282 | 6.030325 | 6.108667 | 6.172546 | 6.108293 | 6.100682 | 6.072238 | 6.006091 | 6.307352 | 6.27435 | 6.414842 | 6.323806 | 6.018941 | 6.039118 | 6.116676 | 6.102114 | 6.114651 | 6.171262 | 6.187842 | 6.086141 | 6.126605 | 6.097331 | 6.075109 | 6.01893 | 6.04 | 6.000113 | 6.384986 | 6.076996 | 6.051654 | 6.182461 | 6.241856 | 6.127031 | 6.143653 | 6.095539 | 6.08518 | 6.161234 | 6.142323 | 6.112041 | 6.199876 | 6.189411 | 5.933932 | 6.172744 | 6.070965 | 6.200101 | 6.004251 | 6.417397 | 6.17352 | 6.021822 | 6.205543 | 6.045531 | 6.358033 | 6.106363 | 6.052321 | 6.189137 | 6.061881 | 6.083303 | 6.082939 | 6.096093 | 6.053679 | 6.10323 | 6.286283 | 6.315964 | 6.137081 | 6.225768 | 6.35754 | 6.197215 | 6.061985 | 6.091707 | 6.121145 | 6.149041 | 6.037857 | 6.101808 | 6.16164 | 6.092235 | 6.057512 | 6.105436 | 6.024815 | 6.157172 | 6.13713 | 6.102252 | 6.153459 | 6.119839 | 6.32495 | 6.35998 | 6.062454 | 6.045772 | 6.115948 | 6.048713 | 5.924662 | 5.993316 | 5.960897 | 5.984306 | 6.168378 | 6.032653 | 6.157046 | 6.221898 | 6.395399 | 6.226402 | 6.088551 | 6.084507 | 6.084471 | 6.092869 | 6.071705 | 6.106903 | 6.159029 | 6.138667 | 6.169895 | 6.205681 | 6.144831 | 6.313293 | 5.986797 | 6.040571 | 6.122875 | 6.232508 | 6.216976 | 6.062855 | 6.288518 | 6.085078 | 6.250665 | 6.166815 | 6.131268 | 6.057286 | 6.159765 | 6.019859 | 6.12571 | 6.094591 | 6.246995 | 6.058829 | 6.113883 | 5.984086 | 6.188217 | 6.214622 | 6.216529 | 6.078437 | 6.152969 | 6.060558 | 6.135435 | 6.169507 | 6.124824 | 6.118783 | 6.101717 | 6.231178 | 6.178723 | 6.129543 | 6.211603 | 6.209672 | 6.10404 | 6.092749 | 6.035988 | 6.015381 | 6.052007 | 6.185636 | 6.098731 | 6.001977 | 6.128607 | 5.993584 | 6.090424 | 6.081868 | 6.075865 | 6.210274 | 5.9807 | 6.126098 | 6.073312 | 6.14522 | 6.229641 | 6.145184 | 6.031268 | 6.010167 | 6.084509 | 6.163715 | 5.815308 | 6.079626 | 6.118572 | 6.154345 | 6.154666 | 6.426203 | 6.219026 | 6.084939 | 6.171997 | 6.133623 | 6.090445 | 6.098855 | 6.110372 | 6.078314 | 6.085232 | 6.113482 | 6.074417 | 6.12644 | 6.112334 | 6.070252 | 6.161551 | 6.031518 | 6.174901 | 6.305012 | 6.186243 | 6.135763 | 5.948779 | 6.180521 | 6.138777 | 6.151193 | 5.980089 | 6.104927 | 5.945706 | 6.079357 | 6.299907 | 6.064952 | 6.107038 | 6.134 | 6.22004 | 6.263041 | 6.163616 | 6.150932 | 6.245531 | 6.056879 | 6.091248 | 6.123236 | 6.07316 | 6.146622 | 6.191109 | 6.153947 | 6.082827 | 6.31802 | 6.201403 | 6.020614 | 6.115957 | 6.106421 | 6.121571 | 6.069915 | 6.181928 | 6.233507 | 6.068526 | 6.042637 | 6.023068 | 6.033342 | 6.132816 | 6.234107 | 6.031405 | 6.208823 | 6.282251 | 6.162192 | 6.18793 | 6.129382 | 6.028899 | 6.113658 | 6.193234 | 6.041739 | 6.317744 | 6.113039 | 6.177889 | 6.078676 | 5.982886 | 6.084506 | 6.107027 | 6.296871 | 6.066482 | 6.161976 | 6.083084 | 6.063656 | 6.061276 | 6.142504 | 6.17581 | 6.174083 | 6.116568 | 6.177195 | 6.130101 | 6.131452 | 6.086653 | 6.21801 | 6.161757 | 6.083158 | 6.165388 | 6.422272 | 6.118241 | 6.13281 | 6.273571 | 6.222762 | 6.184001 | 6.167945 | 6.211434 | 6.242426 | 6.136487 | 6.150798 | 6.078224 | 6.269276 | 6.059598 | 6.125192 | 6.028964 | 6.142652 | 6.065374 | 6.137115 | 6.010213 | 6.043093 | 6.09409 | 6.069206 | 6.186822 | 6.243855 | 6.197489 | 6.142646 | 6.308686 | 6.169635 | 6.074512 | 6.124277 | 6.235346 | 6.179533 | 6.090831 | 6.242858 | 6.056329 | 6.101451 | 6.069567 | 6.104436 | 6.128577 | 6.085224 | 6.222713 | 6.231514 | 6.211003 | 6.450449 | 6.083295 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=C][Branch1][Branch1][C][=N][Ring1][Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][#N] | -0.322551 | Q92630 | Q9Y6M4 | Q5S007 | 6.115957 | 6.450449 | 6.426203 |
CC(C)C1=CC=CC(=N1)NC2=CC=NC(=N2)NC3=CC=C(C=C3)NC | 6.826123 | 6.951252 | 7.456151 | 7.068007 | 7.071005 | 6.840193 | 6.962692 | 6.983835 | 7.242318 | 6.924544 | 6.75918 | 6.930502 | 6.746408 | 6.996428 | 6.961844 | 6.765501 | 7.010281 | 6.919322 | 6.722896 | 6.703622 | 7.06453 | 6.819862 | 6.842926 | 7.210388 | 6.851462 | 7.032915 | 7.047061 | 6.878658 | 6.756453 | 7.059059 | 7.107843 | 7.091449 | 7.234045 | 6.957462 | 6.865108 | 7.021315 | 7.227266 | 6.88934 | 6.973983 | 6.788657 | 7.086116 | 6.937886 | 7.10662 | 7.21539 | 6.384871 | 6.354484 | 6.688578 | 6.957817 | 6.821102 | 7.07919 | 6.862774 | 7.130235 | 6.943219 | 6.971479 | 6.929767 | 6.556845 | 7.137395 | 6.93385 | 7.176264 | 7.048606 | 6.865675 | 7.211553 | 6.953648 | 6.943314 | 7.036466 | 7.082992 | 7.231409 | 6.950299 | 6.970257 | 7.13631 | 7.275675 | 6.963309 | 7.004537 | 6.825663 | 6.527193 | 6.984067 | 7.158436 | 7.305401 | 7.47694 | 7.104322 | 7.16061 | 6.691267 | 7.151709 | 7.054781 | 7.177312 | 7.139124 | 7.016287 | 6.899287 | 6.928658 | 6.905141 | 7.006008 | 7.182409 | 6.851862 | 7.051982 | 6.903843 | 7.080184 | 6.799553 | 6.851676 | 6.740654 | 6.744899 | 7.201157 | 7.378272 | 6.92041 | 6.75416 | 6.935506 | 7.039767 | 7.105235 | 7.060624 | 6.937723 | 7.21204 | 7.046533 | 6.97435 | 6.948322 | 7.113324 | 6.813408 | 6.91463 | 6.695474 | 7.166867 | 6.622555 | 7.279812 | 6.965035 | 6.923176 | 7.137975 | 6.70755 | 6.992096 | 6.972106 | 6.745416 | 7.068688 | 7.121905 | 7.205045 | 7.09758 | 6.938904 | 6.913023 | 6.983134 | 7.123475 | 7.149433 | 6.880493 | 7.373219 | 7.141095 | 7.282858 | 6.976499 | 6.838195 | 7.134572 | 7.14569 | 6.840194 | 7.21159 | 7.005928 | 7.418227 | 7.166281 | 6.797586 | 7.053134 | 7.101687 | 7.085874 | 6.991092 | 6.521245 | 6.794154 | 6.903218 | 7.066457 | 6.782072 | 6.758451 | 6.908477 | 6.72667 | 6.675238 | 6.610792 | 6.68977 | 6.68344 | 7.075373 | 6.680879 | 7.431615 | 7.181409 | 6.99239 | 6.927142 | 7.105293 | 6.993952 | 7.150532 | 7.028347 | 7.11167 | 6.935131 | 6.96457 | 6.951632 | 7.10155 | 7.123686 | 7.077735 | 7.134509 | 6.821998 | 6.773851 | 6.664525 | 7.238345 | 7.067504 | 7.035604 | 7.062271 | 6.953775 | 6.783856 | 6.883711 | 7.03137 | 7.038651 | 6.969697 | 6.946628 | 7.010241 | 6.789729 | 7.096868 | 7.198303 | 6.756767 | 6.930128 | 6.81213 | 6.77842 | 6.538515 | 6.6791 | 7.035642 | 7.060807 | 7.221755 | 6.87722 | 6.862403 | 6.963125 | 7.279098 | 6.93366 | 6.850814 | 6.894822 | 6.591199 | 7.309712 | 6.70354 | 7.029538 | 7.039594 | 7.201592 | 6.997614 | 7.223045 | 7.008327 | 6.675531 | 7.32373 | 6.931349 | 6.746233 | 6.946111 | 7.07801 | 7.332169 | 6.52659 | 6.881045 | 6.897767 | 6.88526 | 6.842078 | 7.068359 | 6.647855 | 6.909449 | 7.077812 | 6.945129 | 6.561829 | 6.971285 | 6.968277 | 7.041736 | 6.883976 | 7.1798 | 7.067015 | 7.30201 | 6.719725 | 6.962114 | 7.158544 | 6.836102 | 7.163727 | 6.997112 | 7.017869 | 6.871588 | 6.885874 | 7.075375 | 7.189935 | 6.929163 | 6.884538 | 7.017962 | 6.962765 | 7.00292 | 7.100867 | 7.280768 | 6.578226 | 7.227651 | 6.444164 | 6.874411 | 6.878894 | 7.01628 | 7.029434 | 6.84078 | 7.011513 | 7.265358 | 6.939577 | 6.919487 | 6.849437 | 7.03093 | 7.198895 | 7.447179 | 7.063974 | 7.079441 | 7.229083 | 6.913503 | 6.872857 | 7.313212 | 7.091424 | 7.350534 | 6.910756 | 7.133154 | 6.927409 | 7.121334 | 6.958972 | 7.035981 | 7.229875 | 6.947416 | 7.207437 | 7.230781 | 7.006127 | 6.654999 | 6.617838 | 7.040115 | 7.188581 | 6.919981 | 6.968725 | 7.186387 | 7.202634 | 7.090386 | 7.131518 | 6.887557 | 7.095251 | 7.16286 | 7.105 | 7.095059 | 7.217878 | 7.144787 | 7.266431 | 7.050421 | 6.591335 | 6.964955 | 6.900977 | 6.721753 | 7.123553 | 7.288406 | 7.008651 | 6.907012 | 6.667965 | 7.114585 | 6.873158 | 7.275625 | 6.978616 | 7.286883 | 6.939963 | 7.033506 | 7.121137 | 7.178103 | 7.362186 | 6.808976 | 6.971404 | 7.038968 | 6.87653 | 7.005599 | 6.998941 | 7.186704 | 7.434552 | 7.104537 | 6.930769 | 7.082816 | 6.964528 | 7.226571 | 7.120954 | 7.186019 | 6.868638 | 7.0741 | 6.888381 | 7.022538 | 7.105643 | 6.865177 | 6.874947 | 6.883655 | 7.059151 | 7.087302 | 6.846466 | 7.114861 | 6.935605 | 6.975753 | 7.209839 | 7.15043 | 7.072208 | 7.125205 | 7.15795 | 7.047048 | 6.903543 | 7.298988 | 7.063101 | 7.040545 | 6.948931 | 7.099679 | 6.809796 | 7.056834 | 6.829578 | 6.983908 | 6.969771 | 6.996762 | 6.772764 | [C][C][Branch1][C][C][C][=C][C][=C][C][=Branch1][Ring2][=N][Ring1][=Branch1][N][C][=C][C][=N][C][=Branch1][Ring2][=N][Ring1][=Branch1][N][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][N][C] | -0.47613 | Q92630 | P19784 | O00311 | 6.958972 | 7.47694 | 7.456151 |
CN(C)C/C=C/C(=O)NC1=CC2=C(C=C1O[C@H1]3CCOC3)N=CN=C2N | 6.275668 | 6.899304 | 7.43342 | 6.120259 | 6.816532 | 6.476924 | 6.319449 | 6.689159 | 7.200414 | 6.194458 | 6.580343 | 6.843427 | 6.567751 | 7.00023 | 6.398733 | 6.019818 | 6.641406 | 6.528605 | 6.211486 | 6.301476 | 6.804689 | 6.80948 | 6.245617 | 7.132592 | 6.76659 | 6.552909 | 6.759345 | 6.711007 | 6.402741 | 6.477605 | 6.517629 | 6.279706 | 6.484889 | 6.520131 | 6.872763 | 6.558829 | 6.718956 | 6.401542 | 6.774545 | 6.328579 | 7.194232 | 6.45964 | 6.505142 | 7.502029 | 6.075934 | 6.224388 | 5.581281 | 6.510589 | 6.236457 | 6.232585 | 6.463338 | 6.569012 | 6.515678 | 6.578304 | 6.668322 | 6.006907 | 6.909022 | 6.393024 | 6.917232 | 5.702934 | 6.516219 | 6.709542 | 6.609391 | 6.443738 | 7.234051 | 6.256216 | 6.997364 | 6.390816 | 6.502195 | 6.557123 | 6.546875 | 6.602077 | 6.393884 | 6.339521 | 6.153757 | 5.957692 | 6.139433 | 6.832218 | 6.844316 | 6.607294 | 6.828553 | 7.036377 | 6.422225 | 7.078129 | 6.44273 | 6.29135 | 5.882382 | 5.769105 | 6.719161 | 6.227379 | 5.868482 | 6.714941 | 6.474616 | 6.468633 | 6.357929 | 6.852408 | 6.945426 | 6.994318 | 6.902465 | 6.772186 | 6.631902 | 6.873892 | 6.797619 | 6.497729 | 6.764536 | 6.615422 | 6.871376 | 6.551551 | 6.352882 | 6.684334 | 6.243779 | 6.415355 | 6.292947 | 6.646969 | 7.017979 | 6.775042 | 6.778979 | 6.844657 | 6.795722 | 6.335211 | 6.189098 | 6.383462 | 6.924563 | 6.48765 | 6.641406 | 6.525142 | 6.363149 | 6.701499 | 6.703353 | 7.014987 | 6.766692 | 6.31187 | 6.629969 | 6.336099 | 7.068748 | 6.842765 | 6.611567 | 6.524586 | 6.713039 | 7.010492 | 6.909876 | 6.577763 | 7.167811 | 7.075271 | 6.198789 | 6.454044 | 6.537054 | 6.84125 | 6.631378 | 6.186389 | 6.657432 | 6.561905 | 6.433412 | 6.349157 | 6.263987 | 6.389956 | 6.890044 | 7.081848 | 6.025234 | 6.461655 | 6.45971 | 6.658804 | 6.798697 | 6.280711 | 6.787351 | 6.892686 | 6.315174 | 6.209054 | 6.494752 | 6.821934 | 6.723968 | 6.434081 | 6.41737 | 6.605663 | 7.149911 | 6.206359 | 6.31637 | 6.187069 | 6.301722 | 6.335621 | 6.433035 | 6.241528 | 6.991413 | 6.37896 | 6.277495 | 6.522464 | 6.20371 | 6.771249 | 6.041077 | 6.796962 | 6.618675 | 6.511192 | 6.31386 | 6.680188 | 6.347325 | 6.536164 | 6.632259 | 6.566098 | 6.602096 | 6.566234 | 6.572325 | 6.705662 | 6.325232 | 6.494396 | 6.408802 | 6.276782 | 6.534887 | 6.468018 | 6.81296 | 6.877872 | 6.187385 | 6.174354 | 6.187549 | 6.300101 | 7.223509 | 6.745253 | 6.796673 | 6.55927 | 6.465497 | 6.970836 | 6.424079 | 6.785856 | 6.616126 | 6.228157 | 6.253626 | 6.862414 | 6.873649 | 6.951487 | 7.133549 | 6.479253 | 6.218629 | 6.758362 | 6.811029 | 7.245803 | 6.223197 | 6.332478 | 6.417332 | 6.271445 | 6.363357 | 6.791125 | 6.699158 | 6.426116 | 6.413356 | 6.448264 | 6.061942 | 6.39931 | 5.986083 | 6.420187 | 6.645692 | 6.716127 | 6.334871 | 6.854599 | 6.652582 | 6.656653 | 6.740643 | 6.400099 | 6.787191 | 6.462475 | 6.113873 | 6.281414 | 6.914373 | 6.598686 | 6.634299 | 6.406347 | 6.550623 | 6.461744 | 6.49208 | 6.787425 | 7.312038 | 6.811186 | 6.196218 | 6.93264 | 6.2626 | 6.312355 | 6.599709 | 6.824989 | 6.818356 | 6.340063 | 6.39155 | 6.41165 | 6.651557 | 6.633874 | 6.452815 | 7.02771 | 6.686398 | 6.472867 | 6.79843 | 6.699014 | 6.592712 | 6.59854 | 6.253251 | 7.108272 | 6.424939 | 6.897797 | 6.453297 | 6.740538 | 6.569364 | 6.299822 | 6.844783 | 6.377544 | 6.628286 | 6.585393 | 6.253218 | 6.58964 | 6.303724 | 6.419669 | 6.153126 | 6.646273 | 6.692663 | 6.279057 | 6.528972 | 6.413958 | 7.109438 | 6.353713 | 6.807174 | 6.454543 | 6.740822 | 6.521029 | 6.378509 | 6.901826 | 6.467987 | 6.6976 | 6.255083 | 6.871713 | 6.214154 | 6.457878 | 6.659828 | 6.475521 | 6.199945 | 6.620318 | 6.42571 | 6.375332 | 6.071449 | 6.620972 | 6.492246 | 6.95316 | 6.617389 | 6.967436 | 6.755179 | 6.466012 | 6.950339 | 7.12115 | 6.791975 | 6.419885 | 6.239298 | 6.480305 | 6.190074 | 6.971038 | 6.499268 | 6.716089 | 6.423559 | 6.658667 | 6.965901 | 6.652595 | 6.412175 | 6.848306 | 6.555622 | 6.434429 | 6.387772 | 6.439754 | 6.393521 | 6.593621 | 6.691896 | 6.516322 | 6.416962 | 6.918421 | 7.291207 | 6.380776 | 6.573357 | 6.653021 | 6.456712 | 6.667274 | 6.650942 | 6.877023 | 6.621237 | 6.522413 | 6.341008 | 6.318348 | 5.823496 | 7.018639 | 6.490113 | 6.318579 | 6.688416 | 6.978781 | 6.305033 | 6.643393 | 6.535873 | 6.380569 | 6.797029 | 6.659387 | 6.2144 | [C][N][Branch1][C][C][C][/C][=C][/C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=N][C][=C][Ring1][=Branch1][O][C@H1][C][C][O][C][Ring1][Branch1][N][=C][N][=C][Ring1][=C][N] | -0.576528 | Q92630 | P04629 | O00311 | 6.844783 | 7.502029 | 7.43342 |
CCN1CCN(CC1)CC=CC=CN=C | 4.48349 | 4.488474 | 5.156151 | 5.229039 | 4.552526 | 4.74285 | 4.694885 | 4.226495 | 4.780804 | 4.706648 | 4.580059 | 4.474527 | 4.608685 | 4.799597 | 4.522861 | 4.761179 | 4.438382 | 4.940165 | 4.649231 | 4.752803 | 4.546937 | 4.88695 | 4.526696 | 4.222993 | 4.456055 | 4.79143 | 4.709224 | 4.661523 | 4.210526 | 4.898582 | 4.832681 | 4.501041 | 4.616563 | 4.674357 | 4.672309 | 4.7867 | 4.405326 | 4.376485 | 4.4915 | 4.443692 | 4.381203 | 4.390379 | 4.290868 | 4.819719 | 4.433942 | 4.63186 | 4.773606 | 4.101853 | 4.652322 | 4.583151 | 5.009027 | 5.797652 | 4.643604 | 4.659939 | 4.943472 | 5.18656 | 4.529929 | 4.518831 | 4.999107 | 5.271442 | 4.694499 | 4.723159 | 4.342639 | 5.467071 | 4.515349 | 5.361349 | 4.489194 | 4.52966 | 4.87222 | 4.41638 | 4.800283 | 4.615173 | 5.481616 | 5.122625 | 4.643886 | 4.271529 | 5.857163 | 4.595311 | 4.830132 | 4.720754 | 4.755194 | 4.275244 | 4.869101 | 4.651459 | 4.909911 | 4.638172 | 4.062476 | 4.28119 | 4.573134 | 5.204553 | 4.671982 | 4.634665 | 4.325123 | 4.497673 | 4.690578 | 4.324994 | 4.292873 | 4.295353 | 4.319179 | 4.280509 | 4.863894 | 4.715191 | 4.574952 | 4.05584 | 4.056828 | 4.508213 | 4.196769 | 4.723633 | 4.786719 | 4.671676 | 5.5011 | 5.724863 | 4.964842 | 5.245568 | 4.497339 | 4.454878 | 4.353649 | 4.63779 | 4.441617 | 4.811557 | 4.765345 | 4.11449 | 4.648927 | 4.720293 | 4.739036 | 4.572364 | 4.773831 | 4.650216 | 4.592232 | 4.109368 | 4.644801 | 4.761815 | 4.677993 | 4.66713 | 4.380946 | 4.474348 | 4.673888 | 5.209737 | 4.505821 | 5.512447 | 4.668142 | 4.709946 | 4.931618 | 4.859501 | 4.792726 | 4.602556 | 4.579727 | 4.528233 | 4.776955 | 4.529017 | 4.64372 | 4.753209 | 4.751081 | 4.675733 | 4.105375 | 4.896806 | 4.600837 | 4.430342 | 4.576273 | 4.524138 | 4.591137 | 4.387375 | 4.212446 | 4.315594 | 4.300911 | 4.303427 | 4.856091 | 4.632392 | 4.977131 | 4.634603 | 4.652279 | 4.70651 | 4.576201 | 4.654513 | 4.398822 | 4.559228 | 4.598179 | 3.972743 | 4.823375 | 4.899885 | 4.99564 | 4.716665 | 4.710815 | 4.790881 | 4.785867 | 4.000603 | 4.336638 | 4.684314 | 4.588352 | 4.435369 | 4.672574 | 4.632852 | 4.875354 | 4.326437 | 4.512592 | 4.967877 | 4.564672 | 4.771911 | 4.542145 | 4.317293 | 4.759902 | 4.555624 | 4.392094 | 4.678423 | 4.313545 | 5.042189 | 4.593892 | 4.504457 | 4.707988 | 4.687548 | 4.246593 | 4.639925 | 4.82156 | 4.968512 | 5.244017 | 4.329249 | 4.447862 | 4.502663 | 5.074707 | 4.571918 | 4.533447 | 4.963372 | 4.770632 | 4.979126 | 4.633109 | 4.311394 | 4.515077 | 4.292496 | 4.626398 | 4.337195 | 4.825748 | 4.26274 | 4.356658 | 4.843349 | 4.209567 | 4.418656 | 4.609263 | 4.693099 | 4.820858 | 4.638958 | 4.731846 | 4.806387 | 4.492616 | 5.049162 | 4.714566 | 4.884546 | 4.600529 | 4.677546 | 4.906989 | 4.935933 | 4.873603 | 4.660851 | 4.48597 | 4.522488 | 4.544503 | 4.700603 | 4.985481 | 4.861292 | 4.466619 | 4.719471 | 4.547534 | 4.586472 | 4.429759 | 4.674733 | 4.515334 | 4.650083 | 4.134575 | 4.386905 | 4.458023 | 4.451983 | 4.667211 | 5.388794 | 4.439012 | 4.908002 | 4.886118 | 4.562407 | 4.83841 | 4.705494 | 4.676892 | 4.575001 | 4.727739 | 4.312438 | 4.62944 | 4.352839 | 5.318318 | 4.963753 | 4.634634 | 4.418839 | 4.737431 | 4.522808 | 4.743629 | 4.219046 | 4.55722 | 4.530828 | 4.243958 | 4.301633 | 4.491285 | 4.686081 | 5.051084 | 4.748398 | 5.005268 | 4.557215 | 4.893082 | 4.644143 | 5.014078 | 4.49957 | 4.580925 | 4.360789 | 4.740597 | 4.74822 | 4.785916 | 4.419136 | 4.425302 | 4.484916 | 4.341341 | 4.441882 | 4.756223 | 4.794748 | 4.79042 | 4.543406 | 4.676949 | 4.445782 | 4.80832 | 4.52998 | 4.618614 | 4.857076 | 4.494112 | 4.309562 | 4.645198 | 4.469477 | 4.335137 | 4.466411 | 4.521103 | 4.90916 | 4.630515 | 5.392091 | 4.636169 | 5.316902 | 4.522194 | 4.551114 | 4.739883 | 5.714639 | 5.045486 | 4.523337 | 4.563776 | 4.667615 | 4.766462 | 4.80093 | 4.600438 | 4.205239 | 4.289067 | 4.91496 | 4.446624 | 4.32147 | 4.651555 | 4.470947 | 4.531306 | 5.17598 | 4.608684 | 4.601198 | 4.60051 | 4.57895 | 4.573251 | 4.602614 | 4.638648 | 4.685857 | 4.239926 | 4.866618 | 4.479059 | 4.762395 | 4.123564 | 4.531903 | 4.735256 | 4.567427 | 4.801429 | 4.804764 | 4.932002 | 4.769761 | 4.146206 | 4.286189 | 5.137713 | 4.575784 | 4.418528 | 5.195806 | 4.78375 | 4.481571 | 4.428698 | 4.70201 | 4.392142 | 4.635404 | 4.379882 | [C][C][N][C][C][N][Branch1][Branch1][C][C][Ring1][=Branch1][C][C][=C][C][=C][N][=C] | -0.667422 | Q92630 | P17948 | P07333 | 5.051084 | 5.857163 | 5.797652 |
CC#CC(=O)N1CCC[C@H1]1C2=NC=C3N2C=CN=C3N | 6.996449 | 6.885459 | 7.453149 | 6.308924 | 6.681554 | 6.656228 | 6.465499 | 6.993425 | 7.203566 | 6.517441 | 6.82177 | 7.208206 | 6.700342 | 6.893407 | 6.797982 | 5.483162 | 6.822258 | 6.825971 | 6.444223 | 6.566252 | 6.803794 | 6.978175 | 6.746039 | 7.528722 | 7.198559 | 6.839288 | 6.802894 | 6.844946 | 6.698143 | 6.932862 | 6.807645 | 6.962298 | 7.122821 | 6.506397 | 6.790943 | 6.494445 | 7.072326 | 6.785507 | 7.02585 | 6.711882 | 7.21717 | 6.738848 | 7.074263 | 6.991625 | 5.096423 | 6.625821 | 6.037145 | 6.502187 | 5.916807 | 6.916096 | 6.794012 | 6.353672 | 6.589891 | 6.354664 | 6.688546 | 6.334998 | 7.278553 | 5.780517 | 7.146773 | 5.356774 | 6.4086 | 7.193271 | 7.084234 | 5.475918 | 7.571411 | 6.843073 | 7.219501 | 6.525445 | 6.768221 | 6.919434 | 7.010994 | 7.05386 | 5.455158 | 6.469747 | 5.515274 | 7.042154 | 4.941268 | 7.133383 | 7.207224 | 6.922231 | 7.123771 | 6.855255 | 7.13997 | 7.298348 | 6.995268 | 7.326453 | 7.076442 | 6.935009 | 7.259617 | 6.284147 | 6.993576 | 7.205495 | 6.70571 | 7.065074 | 6.850925 | 7.308114 | 6.700408 | 6.945119 | 6.666674 | 6.671245 | 6.769475 | 7.29854 | 6.767416 | 7.317636 | 7.270306 | 6.994065 | 6.939285 | 7.110589 | 5.701827 | 7.189234 | 5.588375 | 5.686753 | 6.617751 | 5.379999 | 5.705023 | 6.869552 | 6.419191 | 7.001228 | 6.7681 | 6.819436 | 6.78442 | 6.066094 | 7.276126 | 6.433138 | 6.786397 | 7.053666 | 6.045013 | 7.088419 | 7.093375 | 7.403816 | 6.967103 | 6.468512 | 6.897561 | 6.524984 | 6.822393 | 7.107726 | 6.807844 | 7.14984 | 7.022716 | 7.183905 | 7.081522 | 6.839342 | 7.031219 | 7.061156 | 7.034307 | 6.783227 | 5.822871 | 7.195715 | 6.764176 | 6.99618 | 6.679841 | 6.806077 | 6.719589 | 6.640429 | 6.306871 | 6.691375 | 7.089378 | 7.254909 | 6.276303 | 6.73031 | 7.009937 | 6.640658 | 6.588642 | 5.163435 | 6.648885 | 6.876116 | 6.657559 | 5.889615 | 7.051847 | 6.761415 | 6.709004 | 6.798273 | 6.910595 | 7.02512 | 7.378107 | 6.844696 | 6.900948 | 6.141994 | 6.7626 | 5.776794 | 6.818236 | 7.044833 | 7.149474 | 6.891065 | 6.535286 | 6.388449 | 6.633619 | 7.004142 | 6.693379 | 7.053515 | 7.015735 | 6.84374 | 5.259666 | 6.885204 | 6.480153 | 6.782798 | 6.959131 | 6.404572 | 7.12281 | 6.731633 | 6.823749 | 7.231266 | 6.641135 | 6.357108 | 6.673899 | 6.687321 | 6.954623 | 6.614511 | 7.269942 | 7.218209 | 7.185809 | 5.473358 | 5.743945 | 6.493069 | 7.359838 | 6.970675 | 6.954806 | 6.798379 | 6.723339 | 7.094561 | 6.786096 | 6.991863 | 6.80875 | 7.093929 | 6.950398 | 7.079048 | 7.288612 | 6.855614 | 7.283834 | 7.225661 | 6.587636 | 6.898917 | 7.023733 | 6.726126 | 6.529 | 6.829645 | 6.69621 | 6.780442 | 6.751429 | 6.144497 | 6.761583 | 6.586439 | 6.988962 | 6.880307 | 6.583416 | 6.700314 | 4.834615 | 6.91089 | 6.971222 | 6.959486 | 6.681857 | 7.246606 | 6.837071 | 6.865109 | 6.991134 | 6.812819 | 7.039099 | 7.21877 | 5.271256 | 6.347307 | 7.040112 | 7.109627 | 6.886446 | 7.008318 | 6.485412 | 7.037869 | 6.996603 | 7.032203 | 7.561245 | 7.195056 | 6.76731 | 7.02047 | 6.713529 | 6.340209 | 6.77277 | 7.047931 | 6.633826 | 6.780458 | 7.112725 | 7.028754 | 6.664594 | 6.708223 | 6.571497 | 7.012211 | 6.876871 | 7.049294 | 6.794001 | 6.594152 | 7.036969 | 7.070093 | 6.649316 | 7.406667 | 6.372268 | 7.28005 | 6.773924 | 7.029275 | 6.481996 | 5.771766 | 6.983081 | 6.684024 | 7.129084 | 7.34084 | 6.910231 | 6.975169 | 6.915183 | 6.898572 | 6.247648 | 7.442911 | 7.016133 | 6.834351 | 6.96666 | 6.919117 | 7.220143 | 6.57359 | 7.070662 | 6.844388 | 7.227818 | 6.70688 | 6.604307 | 7.149193 | 6.98065 | 7.357555 | 7.03873 | 7.224051 | 5.594919 | 7.076462 | 6.648646 | 6.882755 | 7.014707 | 7.125163 | 6.981405 | 6.899644 | 5.379351 | 7.019681 | 6.42824 | 7.069045 | 6.756095 | 7.095368 | 6.75949 | 6.929049 | 7.15275 | 7.211068 | 7.365585 | 7.270997 | 6.147117 | 6.561079 | 6.396945 | 6.91207 | 6.750605 | 7.073175 | 7.22878 | 7.060997 | 6.920635 | 6.924524 | 6.698454 | 7.000092 | 6.800977 | 6.945999 | 6.935274 | 6.697241 | 6.728868 | 6.732767 | 6.972494 | 6.922755 | 6.924463 | 7.109581 | 7.14576 | 6.827973 | 7.052557 | 6.605711 | 6.975929 | 6.605105 | 6.763598 | 6.940272 | 6.978646 | 7.036109 | 6.785329 | 5.817409 | 7.265028 | 7.101203 | 6.924199 | 6.612348 | 6.846428 | 7.181169 | 6.326569 | 7.274891 | 6.578341 | 6.888945 | 6.700323 | 6.764508 | 6.714998 | [C][C][#C][C][=Branch1][C][=O][N][C][C][C][C@H1][Ring1][Branch1][C][=N][C][=C][N][Ring1][Branch1][C][=C][N][=C][Ring1][=Branch1][N] | -0.528693 | Q92630 | P11309 | Q86V86 | 6.983081 | 7.571411 | 7.561245 |
CC(C)C1=CC=CC(=N1)NC=CC | 5.295737 | 4.943664 | 6.196316 | 4.698322 | 5.930102 | 4.572487 | 5.029824 | 5.656863 | 5.913869 | 5.188166 | 4.640363 | 5.318262 | 4.545882 | 5.505159 | 4.692255 | 4.233278 | 5.005225 | 5.395476 | 4.814363 | 4.767911 | 5.492974 | 5.011688 | 5.149235 | 5.160233 | 5.324652 | 4.455209 | 6.19291 | 5.357223 | 5.40887 | 4.385359 | 5.423024 | 4.818915 | 5.743377 | 4.878744 | 5.566446 | 4.941315 | 5.190819 | 4.305145 | 4.685014 | 5.51633 | 6.337836 | 5.444314 | 6.550056 | 6.082977 | 4.101864 | 4.867477 | 5.01855 | 5.173517 | 4.24091 | 4.994794 | 5.382221 | 5.939065 | 4.424961 | 4.559135 | 4.774675 | 4.90269 | 6.2784 | 4.552158 | 6.145635 | 4.974726 | 4.401169 | 6.019537 | 4.549994 | 5.717576 | 5.526917 | 5.960974 | 4.606892 | 4.517148 | 4.992603 | 5.572619 | 5.4193 | 5.716578 | 5.465634 | 5.819401 | 4.705498 | 4.697157 | 5.641983 | 4.844636 | 5.229818 | 5.043187 | 4.806055 | 4.486725 | 6.074888 | 6.406199 | 5.856647 | 5.935398 | 4.27969 | 4.541619 | 4.987404 | 5.482438 | 5.938478 | 4.752309 | 4.535724 | 4.487864 | 5.086943 | 4.386046 | 5.156774 | 4.403605 | 4.616952 | 4.330732 | 6.057377 | 5.532241 | 5.00768 | 4.842012 | 5.69788 | 5.115568 | 4.711382 | 4.78229 | 5.158706 | 4.69998 | 5.605791 | 5.657519 | 5.437925 | 6.041074 | 4.552836 | 5.172292 | 5.12872 | 5.950494 | 4.212078 | 6.22015 | 4.98118 | 4.531979 | 6.143975 | 5.308379 | 6.005942 | 5.716956 | 5.100802 | 5.003535 | 5.241735 | 5.799277 | 5.1897 | 5.670008 | 4.820064 | 5.689988 | 4.962215 | 5.872011 | 4.522308 | 6.104484 | 5.585786 | 5.897055 | 5.025475 | 4.781703 | 4.82103 | 4.83322 | 4.558892 | 5.076351 | 4.621289 | 5.382231 | 5.324102 | 4.632142 | 4.273182 | 5.645657 | 5.473908 | 5.527947 | 4.789852 | 5.44484 | 5.698223 | 5.678626 | 4.155763 | 5.366105 | 4.064889 | 4.299074 | 4.287708 | 4.197217 | 4.32305 | 4.641975 | 5.117128 | 4.302381 | 5.116241 | 5.720479 | 5.245846 | 5.47626 | 5.284038 | 4.476429 | 4.547149 | 5.763834 | 4.92408 | 5.476211 | 4.793895 | 5.425246 | 5.589721 | 5.753191 | 5.374448 | 5.793057 | 5.080948 | 4.260624 | 5.488233 | 5.737166 | 5.840552 | 4.649961 | 5.713132 | 5.308752 | 5.888243 | 4.547258 | 4.270751 | 4.954532 | 5.844395 | 5.721215 | 4.505798 | 5.212014 | 5.71454 | 4.708334 | 5.424899 | 5.03021 | 5.409249 | 5.704975 | 5.648426 | 4.966706 | 5.834735 | 5.860904 | 5.96668 | 4.601275 | 4.648327 | 5.190421 | 5.933731 | 5.566291 | 4.745907 | 5.744367 | 4.822408 | 5.700343 | 4.706115 | 4.855897 | 5.677262 | 4.979145 | 4.420305 | 5.356831 | 6.487903 | 4.500164 | 5.492208 | 3.804913 | 4.968065 | 4.796374 | 4.417776 | 5.535594 | 4.124733 | 4.629224 | 4.608793 | 4.788349 | 5.262267 | 4.61249 | 4.550143 | 4.788094 | 5.675406 | 5.312095 | 4.390366 | 5.092291 | 5.858755 | 5.611422 | 4.860581 | 5.998699 | 5.390057 | 5.036583 | 4.785336 | 4.820442 | 4.546442 | 4.942596 | 5.173697 | 5.763395 | 4.469547 | 5.240559 | 4.43701 | 5.674528 | 5.663801 | 4.73082 | 5.612093 | 4.740918 | 5.703811 | 5.561872 | 5.563982 | 6.21664 | 4.32749 | 6.094162 | 4.421489 | 5.000733 | 4.604647 | 4.8871 | 4.756519 | 5.071605 | 5.931453 | 4.37167 | 4.717265 | 5.453855 | 5.560719 | 4.985348 | 5.88335 | 5.081781 | 5.487533 | 4.853992 | 5.144411 | 4.605008 | 5.206003 | 5.602334 | 5.583455 | 5.491036 | 5.145615 | 5.43433 | 5.569705 | 4.43403 | 5.152557 | 5.148395 | 5.590864 | 4.85115 | 4.999615 | 5.617888 | 4.884471 | 4.258825 | 4.336523 | 4.692118 | 5.566823 | 5.822747 | 5.44484 | 5.822416 | 5.594733 | 5.00972 | 5.462148 | 5.302759 | 5.107344 | 5.662047 | 5.424004 | 5.141355 | 5.857321 | 5.141653 | 4.992949 | 4.77421 | 4.38712 | 5.638098 | 5.763805 | 5.382783 | 5.179871 | 5.672803 | 4.667571 | 4.339899 | 4.007691 | 5.572307 | 5.647634 | 6.101856 | 4.78538 | 6.099766 | 5.784869 | 4.938953 | 5.727929 | 5.995782 | 5.483577 | 5.248434 | 5.750714 | 4.812178 | 4.444197 | 5.07412 | 5.775906 | 5.503035 | 5.61634 | 5.036809 | 5.639274 | 5.578524 | 4.673694 | 5.13166 | 4.611084 | 5.930168 | 4.720018 | 5.660274 | 4.357328 | 5.585012 | 4.786176 | 5.313612 | 4.194244 | 5.141144 | 4.750161 | 4.410357 | 5.364554 | 5.368906 | 5.6566 | 5.651289 | 5.960317 | 5.707728 | 4.518312 | 4.946677 | 5.84011 | 4.913391 | 5.303397 | 5.199176 | 4.327134 | 5.682199 | 5.866685 | 5.465499 | 4.924269 | 5.052509 | 4.67942 | 5.675187 | 5.741357 | 4.850333 | 4.200466 | [C][C][Branch1][C][C][C][=C][C][=C][C][=Branch1][Ring2][=N][Ring1][=Branch1][N][C][=C][C] | -0.88481 | Q92630 | P04626 | Q15303 | 5.152557 | 6.550056 | 6.487903 |
CCN1CCN(CC1)CC2=CC=C(N=C2)N | 5.242655 | 4.797542 | 5.495176 | 5.858077 | 5.423951 | 4.949822 | 5.914322 | 5.601016 | 5.437496 | 5.299643 | 4.996049 | 5.141331 | 4.802753 | 5.24865 | 4.665893 | 4.900918 | 4.727189 | 5.192783 | 5.242425 | 5.081602 | 4.953046 | 5.001127 | 5.948383 | 5.22235 | 5.664411 | 5.769111 | 5.257297 | 5.049437 | 4.815452 | 5.827346 | 6.122918 | 5.446949 | 5.070701 | 5.012768 | 5.926128 | 5.52108 | 5.626609 | 4.928703 | 5.392353 | 5.109914 | 4.835082 | 5.093665 | 5.002025 | 5.182334 | 4.987466 | 5.182421 | 4.678314 | 5.27823 | 5.061281 | 5.00624 | 5.294791 | 6.259115 | 4.989224 | 5.069978 | 5.221964 | 5.143399 | 4.763175 | 4.951333 | 5.041274 | 5.421178 | 5.275461 | 5.11729 | 5.059437 | 5.888098 | 5.517153 | 6.199513 | 4.740575 | 5.036515 | 4.706795 | 5.006208 | 5.881424 | 4.957643 | 5.887394 | 5.362164 | 5.316076 | 4.687488 | 6.150714 | 5.459374 | 5.832117 | 5.627211 | 5.559583 | 4.66426 | 5.971306 | 5.556518 | 5.577649 | 5.535746 | 4.529383 | 4.631538 | 4.813044 | 5.918552 | 5.079267 | 4.915069 | 4.916261 | 4.941834 | 5.720938 | 4.933936 | 4.862975 | 4.607576 | 4.690081 | 4.625483 | 5.424173 | 5.231165 | 5.057823 | 4.327064 | 4.63714 | 4.945498 | 4.809345 | 5.035401 | 5.054273 | 5.001905 | 5.57145 | 6.002145 | 5.287428 | 5.914099 | 4.91967 | 4.930071 | 4.878243 | 4.888069 | 5.057752 | 5.269155 | 4.843163 | 4.694634 | 5.152913 | 5.217485 | 5.19964 | 5.503941 | 5.357532 | 4.837033 | 4.713351 | 5.790867 | 4.999086 | 5.138224 | 5.826641 | 5.180363 | 4.88133 | 5.196614 | 4.862899 | 5.59856 | 5.095128 | 5.671947 | 4.943554 | 4.832662 | 5.120119 | 5.100873 | 5.4171 | 5.346216 | 5.088575 | 5.455358 | 5.16479 | 4.904925 | 4.846043 | 6.111083 | 4.953132 | 5.136076 | 4.439107 | 5.240139 | 5.596293 | 5.530105 | 4.789387 | 4.770318 | 5.988312 | 4.645391 | 4.468888 | 4.447283 | 4.552097 | 4.665536 | 6.106504 | 4.944163 | 5.230767 | 5.594651 | 5.210098 | 5.249804 | 4.979073 | 4.986882 | 4.76647 | 5.246472 | 4.883046 | 4.850001 | 5.189166 | 5.213566 | 5.532516 | 5.000512 | 5.002401 | 5.249665 | 4.876593 | 4.327735 | 4.93679 | 5.18123 | 5.059343 | 4.571813 | 4.99992 | 5.304172 | 5.389544 | 4.754715 | 5.465601 | 5.936694 | 4.955876 | 5.910009 | 6.013164 | 4.921431 | 5.360601 | 5.158396 | 4.995465 | 5.644236 | 4.84824 | 5.177055 | 5.076333 | 5.673173 | 5.170438 | 4.964584 | 5.701558 | 5.008243 | 5.256583 | 5.502571 | 5.555257 | 4.893247 | 4.560588 | 4.764735 | 5.11106 | 5.067768 | 4.99715 | 5.148022 | 4.891612 | 6.067225 | 5.217292 | 5.709877 | 5.127909 | 4.558191 | 5.279948 | 5.701746 | 5.015354 | 5.577053 | 4.774688 | 5.408556 | 4.800134 | 5.041262 | 5.217628 | 4.951258 | 5.319182 | 5.037647 | 4.619192 | 5.377009 | 5.389298 | 5.149794 | 4.948886 | 5.842629 | 5.427341 | 5.311568 | 5.161589 | 5.801826 | 5.206509 | 5.271279 | 4.77801 | 5.018725 | 5.181749 | 5.029827 | 6.041167 | 5.297901 | 5.720063 | 5.702012 | 4.878398 | 5.32595 | 5.33141 | 5.713202 | 4.925664 | 5.429403 | 4.739837 | 5.01558 | 5.129754 | 6.138616 | 5.363369 | 5.514002 | 4.931329 | 5.91636 | 5.000437 | 5.442085 | 5.115943 | 5.981128 | 5.296004 | 5.336261 | 5.740772 | 5.448078 | 5.328528 | 4.965145 | 5.182919 | 5.229539 | 5.17073 | 5.993004 | 6.106637 | 4.800709 | 5.99145 | 5.627733 | 4.831939 | 5.465312 | 4.828703 | 4.965596 | 5.226778 | 6.04978 | 5.099321 | 5.329187 | 6.080276 | 5.372295 | 5.654117 | 4.760803 | 6.003167 | 5.1682 | 5.089779 | 5.389848 | 5.928364 | 5.220369 | 5.558532 | 6.068428 | 5.138279 | 5.089869 | 5.283851 | 5.407959 | 5.145437 | 5.236197 | 5.575223 | 5.524385 | 4.725267 | 5.708179 | 5.192842 | 5.580192 | 5.238186 | 5.327144 | 5.184717 | 5.009996 | 5.528694 | 5.520161 | 6.08632 | 6.038077 | 5.15223 | 5.965023 | 5.050665 | 5.494846 | 5.039546 | 5.362863 | 5.168836 | 4.963253 | 5.492654 | 6.000828 | 5.976591 | 5.155818 | 4.911466 | 5.067387 | 5.731359 | 5.0335 | 4.710341 | 5.662942 | 5.864446 | 5.08525 | 5.600003 | 5.095736 | 4.887179 | 5.052007 | 5.976614 | 5.635068 | 5.662274 | 5.377685 | 5.258987 | 5.282342 | 5.338243 | 4.908789 | 6.032833 | 5.719051 | 4.51992 | 5.008357 | 4.71803 | 5.546984 | 4.756413 | 4.936212 | 5.39552 | 5.42645 | 5.279691 | 5.154593 | 5.969216 | 5.194887 | 4.44712 | 5.757611 | 6.222772 | 5.676989 | 5.219062 | 5.369251 | 5.988547 | 4.846308 | 4.89063 | 5.815308 | 5.414423 | 5.204458 | 4.841314 | [C][C][N][C][C][N][Branch1][Branch1][C][C][Ring1][=Branch1][C][C][=C][C][=C][Branch1][Branch1][N][=C][Ring1][=Branch1][N] | -0.820973 | Q92630 | P07333 | Q9Y2K2 | 5.099321 | 6.259115 | 6.222772 |
CCCS(=O)(=O)NCCC | 4.561567 | 4.496323 | 5.499217 | 4.861125 | 4.752496 | 4.616668 | 5.209945 | 4.777191 | 4.669672 | 4.741531 | 4.660556 | 4.483651 | 4.46184 | 4.735396 | 4.309184 | 4.648191 | 4.450566 | 4.814157 | 4.834781 | 4.907016 | 4.577458 | 4.742763 | 4.296759 | 4.564479 | 5.305492 | 5.022049 | 4.644476 | 4.614089 | 4.836856 | 4.574947 | 4.841059 | 4.568096 | 4.681623 | 4.543524 | 5.078479 | 4.981783 | 5.189764 | 4.784879 | 4.440176 | 4.757236 | 4.663882 | 4.750642 | 4.818982 | 4.683896 | 4.904262 | 4.877654 | 4.722396 | 4.809108 | 4.658205 | 4.699587 | 5.394956 | 5.282895 | 4.557076 | 4.98716 | 5.156968 | 5.091317 | 4.993649 | 4.98128 | 5.159124 | 4.977287 | 4.799365 | 4.47022 | 4.747571 | 5.229149 | 4.737975 | 5.312744 | 4.556361 | 4.325707 | 4.933278 | 4.625484 | 4.623996 | 4.639492 | 5.154104 | 5.372166 | 4.717453 | 4.474948 | 5.100037 | 4.809793 | 4.712155 | 4.673888 | 4.632832 | 4.484296 | 5.229245 | 5.091406 | 5.32483 | 5.43878 | 4.193578 | 4.479216 | 4.786023 | 6.205676 | 4.704978 | 4.651497 | 4.591921 | 4.946648 | 4.388084 | 4.990537 | 4.632588 | 4.253119 | 4.397954 | 4.158782 | 5.003057 | 4.789144 | 4.482436 | 4.485254 | 4.491282 | 4.596765 | 4.676697 | 4.605396 | 4.708799 | 4.648812 | 5.202146 | 5.237747 | 4.782428 | 4.924672 | 4.43397 | 4.793553 | 4.682599 | 4.699368 | 4.458236 | 4.698471 | 4.673546 | 4.038682 | 4.837976 | 4.949961 | 4.805408 | 4.922777 | 4.897615 | 4.57691 | 4.542299 | 4.671348 | 4.579285 | 4.378215 | 4.595275 | 4.553803 | 4.84927 | 4.904639 | 4.357962 | 4.458733 | 4.998982 | 4.855042 | 4.674871 | 4.797266 | 4.434924 | 4.480658 | 4.893758 | 4.624076 | 5.230085 | 4.907223 | 4.784943 | 4.852557 | 4.732441 | 4.503633 | 4.65877 | 4.502444 | 4.703553 | 4.53939 | 4.942308 | 4.856985 | 4.745459 | 4.423808 | 4.552079 | 4.202771 | 4.22704 | 4.202197 | 4.143286 | 4.22792 | 4.475745 | 4.726388 | 4.778794 | 4.892638 | 4.783885 | 4.525569 | 4.422078 | 4.578318 | 4.528193 | 4.735557 | 4.535664 | 4.70145 | 4.814092 | 4.832414 | 4.450097 | 4.32499 | 4.653978 | 4.905706 | 4.692395 | 4.174779 | 4.587047 | 4.803951 | 4.57024 | 4.535546 | 4.803236 | 4.664863 | 4.870479 | 4.490447 | 4.740548 | 4.948886 | 4.88343 | 4.430154 | 4.504912 | 4.937748 | 4.893624 | 4.721807 | 4.936398 | 4.524856 | 4.518276 | 5.303593 | 5.312056 | 5.329096 | 4.857082 | 4.795697 | 4.588764 | 4.777198 | 4.811732 | 4.707918 | 4.944423 | 4.942823 | 4.377535 | 4.398058 | 4.847993 | 4.808724 | 4.564537 | 4.699378 | 4.798127 | 5.205672 | 4.626823 | 4.750496 | 4.999946 | 4.192924 | 4.857082 | 4.314085 | 4.58331 | 4.362806 | 4.146037 | 4.839782 | 4.465729 | 4.590128 | 4.851641 | 4.648575 | 4.688792 | 4.848273 | 4.457395 | 4.737881 | 4.708977 | 5.074532 | 4.513852 | 4.897148 | 4.591031 | 4.630384 | 4.741741 | 4.983916 | 4.774974 | 4.861529 | 4.781059 | 4.802031 | 4.769586 | 4.765816 | 4.776209 | 5.018804 | 4.957104 | 5.020587 | 4.618061 | 4.881787 | 4.715021 | 4.440365 | 4.714451 | 4.327389 | 4.74707 | 4.757254 | 4.810179 | 4.520723 | 4.893702 | 5.09316 | 5.271829 | 4.881419 | 4.563145 | 5.1765 | 4.597452 | 4.885723 | 4.940414 | 4.839948 | 4.873619 | 4.497089 | 4.485454 | 4.842322 | 4.907719 | 4.800214 | 4.591803 | 4.311643 | 4.623816 | 4.724274 | 4.848428 | 4.889432 | 4.598509 | 4.927423 | 4.589812 | 4.800426 | 4.663136 | 4.746556 | 4.83548 | 4.721448 | 4.91906 | 4.398532 | 4.588598 | 4.686174 | 4.280682 | 4.87154 | 5.140689 | 4.803924 | 4.394346 | 5.057128 | 4.875561 | 4.504464 | 4.801544 | 4.715234 | 4.587687 | 4.98374 | 4.560631 | 4.644023 | 4.808167 | 4.71778 | 4.838202 | 4.696755 | 4.09841 | 4.492797 | 4.849899 | 5.194161 | 4.480372 | 5.060739 | 4.562093 | 4.821868 | 4.251519 | 4.433152 | 5.119806 | 4.941398 | 4.827995 | 5.194242 | 5.061712 | 5.145948 | 4.523165 | 4.678709 | 4.629695 | 4.782584 | 4.557422 | 4.348674 | 4.56582 | 4.730902 | 4.657619 | 4.648517 | 4.755169 | 5.255863 | 5.078405 | 4.736379 | 5.432428 | 4.746617 | 4.621591 | 4.849776 | 4.262224 | 4.887975 | 4.367317 | 5.296556 | 4.700672 | 4.817173 | 5.08618 | 4.637921 | 4.430657 | 5.042524 | 4.325279 | 4.588676 | 4.629693 | 4.865898 | 4.723257 | 4.53628 | 4.980484 | 4.754585 | 4.733071 | 4.880776 | 4.629414 | 4.593891 | 4.75564 | 4.769318 | 4.186954 | 4.575487 | 4.488208 | 4.86506 | 4.874827 | 4.639227 | 4.853756 | 5.1507 | 4.764352 | 4.865014 | 4.448359 | [C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C] | -0.878737 | Q92630 | P24723 | O00311 | 4.83548 | 6.205676 | 5.499217 |
C[C@@H1]C1=NC2=CC=CC=C2C(=O)N1C | 5.364296 | 5.2854 | 6.627255 | 5.812032 | 6.032174 | 5.350604 | 5.957057 | 5.662719 | 5.985026 | 5.451206 | 5.254292 | 6.044194 | 5.121397 | 5.960441 | 5.127022 | 4.552761 | 5.629502 | 5.917501 | 5.144292 | 5.288029 | 5.924971 | 5.842195 | 5.981174 | 5.951948 | 5.786249 | 5.797908 | 6.427002 | 5.545311 | 5.843339 | 5.591061 | 5.80918 | 5.500377 | 5.708471 | 5.766332 | 5.908423 | 5.888526 | 5.820349 | 4.809233 | 5.741681 | 5.74945 | 5.938078 | 5.885897 | 6.149662 | 6.35795 | 4.899937 | 5.584449 | 5.38053 | 6.003304 | 5.473447 | 5.031583 | 5.956818 | 6.199931 | 5.42668 | 5.295199 | 5.933411 | 5.495669 | 6.198772 | 5.532947 | 6.352538 | 5.669981 | 5.627919 | 6.287591 | 5.518958 | 6.092166 | 5.797579 | 6.173425 | 5.841999 | 5.711164 | 5.556286 | 5.228116 | 6.120748 | 5.566341 | 6.147671 | 6.021093 | 5.210892 | 4.910045 | 5.996052 | 6.195358 | 6.072428 | 5.19874 | 5.899861 | 5.267025 | 6.086379 | 6.474863 | 6.065688 | 6.155338 | 4.772512 | 4.885934 | 5.534969 | 5.819523 | 5.231907 | 5.906415 | 5.813126 | 5.28687 | 5.799152 | 5.634652 | 5.240324 | 5.250934 | 5.369461 | 5.05037 | 6.093863 | 6.222033 | 5.490768 | 5.526192 | 5.535508 | 5.600364 | 5.792895 | 5.378359 | 5.815497 | 5.93791 | 5.718125 | 5.990245 | 6.010482 | 6.137706 | 5.11849 | 5.493948 | 5.644512 | 6.223283 | 5.135999 | 6.395558 | 5.993484 | 5.166209 | 6.183981 | 5.210505 | 6.17567 | 5.915164 | 5.378144 | 5.753258 | 5.653463 | 5.975425 | 5.49942 | 5.274642 | 5.725137 | 6.000878 | 5.259814 | 6.214693 | 5.342896 | 6.294086 | 6.117251 | 6.019534 | 4.922144 | 5.033802 | 5.695684 | 5.634151 | 5.30463 | 5.463095 | 5.581618 | 6.040598 | 5.834503 | 5.236073 | 5.414028 | 6.174405 | 5.763983 | 5.962561 | 5.047657 | 5.822004 | 6.129872 | 5.955615 | 4.704014 | 5.024949 | 5.315856 | 5.108899 | 5.112219 | 4.924009 | 5.129179 | 5.251607 | 5.827414 | 5.05424 | 6.03425 | 6.062294 | 5.245759 | 6.065271 | 5.045623 | 5.397158 | 5.793534 | 5.210677 | 4.848537 | 5.688599 | 5.877799 | 6.033658 | 6.15042 | 6.08175 | 5.986869 | 6.11752 | 5.410738 | 4.787094 | 5.904595 | 6.068199 | 5.300885 | 4.781288 | 5.864488 | 5.95182 | 5.5987 | 5.676164 | 5.352295 | 5.878386 | 6.077592 | 5.98857 | 5.676809 | 5.624959 | 6.177433 | 5.436692 | 5.721892 | 5.627681 | 5.677493 | 6.027653 | 6.046497 | 5.411786 | 6.004761 | 6.0455 | 5.664421 | 5.632484 | 5.763374 | 6.046303 | 5.976009 | 5.911669 | 5.898319 | 6.009677 | 5.634532 | 5.914865 | 5.800674 | 5.345343 | 6.020703 | 5.513512 | 5.296523 | 5.909185 | 6.240825 | 5.32718 | 6.22364 | 5.540142 | 4.91408 | 5.850686 | 4.884401 | 6.42084 | 4.975392 | 5.439081 | 5.074302 | 5.190151 | 6.062618 | 5.873306 | 5.305835 | 5.835535 | 6.021438 | 5.530925 | 5.252455 | 5.645044 | 5.965811 | 6.143597 | 5.425844 | 6.263246 | 6.02725 | 6.100646 | 5.426644 | 5.992777 | 6.000241 | 5.690311 | 6.100525 | 5.593852 | 5.546308 | 5.938021 | 5.171339 | 5.969162 | 5.95578 | 5.657822 | 5.581876 | 6.111918 | 5.933228 | 5.890268 | 5.866233 | 6.26739 | 5.395346 | 6.029263 | 5.125722 | 5.80461 | 5.144322 | 5.764951 | 5.641736 | 5.649035 | 6.11724 | 5.420021 | 5.541225 | 5.904917 | 5.782806 | 5.524008 | 5.486319 | 6.034389 | 5.878311 | 5.826962 | 5.904736 | 5.877783 | 5.704244 | 6.239361 | 6.206034 | 6.109486 | 5.689865 | 6.004861 | 5.885697 | 5.847185 | 5.80965 | 5.016124 | 5.861399 | 5.727999 | 5.803097 | 6.163163 | 5.741537 | 5.308386 | 5.159311 | 5.447184 | 6.236162 | 5.962603 | 6.084471 | 6.029186 | 6.131932 | 5.851033 | 5.993504 | 5.883072 | 5.679783 | 5.864867 | 5.826093 | 6.008733 | 6.112737 | 6.047542 | 5.337854 | 5.338039 | 5.264138 | 5.733481 | 5.949387 | 5.80471 | 5.620205 | 6.171284 | 6.044236 | 5.294516 | 5.047644 | 5.85276 | 5.559613 | 6.119027 | 5.830072 | 6.188044 | 5.972419 | 5.490611 | 6.192835 | 6.171426 | 6.153327 | 5.472508 | 6.130098 | 5.119985 | 5.018606 | 5.571243 | 5.854285 | 5.822492 | 6.011315 | 5.463944 | 5.928647 | 5.967189 | 5.141541 | 5.775734 | 5.724769 | 6.160129 | 5.648045 | 5.844672 | 5.008868 | 5.919684 | 5.665498 | 5.449088 | 4.875253 | 5.793062 | 5.788802 | 5.08901 | 5.907606 | 6.011246 | 5.88808 | 5.937247 | 6.100129 | 6.102317 | 4.972913 | 5.131351 | 6.111134 | 5.957804 | 4.930533 | 5.994588 | 5.476325 | 5.957593 | 6.017044 | 5.543283 | 5.677018 | 5.753793 | 5.517907 | 5.94574 | 5.981607 | 5.034612 | 4.969204 | [C][C@@H1][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][O][C] | -0.673764 | Q92630 | O00311 | P21860 | 5.80965 | 6.627255 | 6.474863 |
CN(C)C/C=C/C(=O)NC1=CC2=C(C=C1O[C@H1]3CCOC3)N=CN=C2NC=CC=CC | 7.799131 | 7.92422 | 8.175765 | 7.701397 | 8.009443 | 7.897419 | 7.768673 | 7.868335 | 8.056983 | 7.65678 | 7.71718 | 8.002086 | 7.783885 | 8.031867 | 7.884864 | 7.55316 | 7.71663 | 7.765971 | 7.837574 | 7.797518 | 7.945051 | 7.677126 | 7.855667 | 8.056298 | 7.860716 | 7.859939 | 7.937005 | 7.992034 | 7.690285 | 7.901045 | 7.863585 | 7.838964 | 7.894289 | 7.897692 | 7.800541 | 7.809832 | 8.061415 | 7.713107 | 7.988681 | 7.991207 | 8.068746 | 8.102714 | 8.212929 | 8.076059 | 7.496343 | 7.637794 | 8.001408 | 7.927691 | 7.881257 | 7.71598 | 7.869375 | 8.016521 | 7.932059 | 7.942083 | 7.97892 | 8.023156 | 8.177666 | 8.007086 | 8.236246 | 7.534571 | 7.890446 | 8.070724 | 8.052831 | 7.636232 | 8.061006 | 8.056252 | 8.036382 | 7.991786 | 8.136711 | 8.093941 | 8.021873 | 8.098649 | 7.716322 | 7.742542 | 7.700112 | 7.775118 | 7.787399 | 7.991426 | 8.010806 | 7.921551 | 7.81477 | 7.871887 | 8.074186 | 8.098322 | 8.001622 | 8.227735 | 7.868725 | 7.663295 | 7.999836 | 7.780139 | 7.717265 | 7.812282 | 7.952087 | 7.818624 | 7.719638 | 7.954606 | 8.042974 | 7.925969 | 7.968614 | 7.862643 | 7.991997 | 8.105224 | 7.847142 | 7.894728 | 8.062808 | 7.809642 | 8.102755 | 7.877309 | 8.029941 | 7.806211 | 7.97615 | 7.913366 | 8.004519 | 7.730571 | 7.832496 | 7.841532 | 7.81784 | 7.960662 | 7.767056 | 8.129889 | 8.058936 | 7.937667 | 8.251788 | 7.841501 | 8.134659 | 8.053768 | 7.766485 | 7.844405 | 8.005055 | 7.778975 | 8.014787 | 7.483016 | 7.919322 | 7.791895 | 7.84352 | 8.009759 | 7.900676 | 7.940792 | 8.060783 | 7.942117 | 7.811948 | 7.835977 | 8.021109 | 7.97732 | 7.75265 | 7.965593 | 8.00524 | 7.972223 | 8.119113 | 8.047362 | 7.849238 | 8.05047 | 7.907616 | 7.812894 | 7.887805 | 7.726744 | 7.84066 | 7.873297 | 7.805248 | 7.743871 | 7.929859 | 7.913444 | 7.841876 | 7.815233 | 7.860027 | 7.834641 | 8.022327 | 7.879129 | 7.947812 | 7.815558 | 7.854128 | 7.892266 | 7.834839 | 7.951841 | 7.924387 | 7.542805 | 7.68188 | 7.842988 | 8.040318 | 8.107803 | 7.901808 | 8.035834 | 7.901068 | 7.923577 | 7.905264 | 7.965279 | 7.712506 | 8.087543 | 8.009344 | 7.858263 | 8.076806 | 7.892943 | 7.816208 | 8.109227 | 7.733494 | 7.881695 | 7.921544 | 7.653229 | 8.051769 | 7.66239 | 7.919757 | 7.862424 | 7.651112 | 7.641734 | 7.860313 | 7.818436 | 7.764707 | 7.662934 | 7.86418 | 7.811382 | 7.896657 | 7.811066 | 7.803218 | 7.83789 | 8.027912 | 8.013437 | 8.012786 | 7.808061 | 7.614891 | 7.97007 | 7.862446 | 7.995887 | 8.077765 | 8.190424 | 7.851108 | 8.057728 | 8.070498 | 7.886713 | 8.041323 | 8.153432 | 7.618139 | 7.846865 | 8.004092 | 8.192969 | 7.733582 | 7.774192 | 7.738917 | 7.838142 | 7.864887 | 7.900119 | 7.643503 | 7.861613 | 7.826199 | 7.941664 | 7.88777 | 7.754808 | 7.640006 | 8.106706 | 7.892629 | 7.946699 | 7.864251 | 8.133188 | 8.021276 | 8.111457 | 8.06383 | 7.729525 | 8.0729 | 8.103202 | 7.808629 | 7.653028 | 7.976439 | 7.835059 | 7.897829 | 7.731706 | 7.863866 | 7.914552 | 7.962718 | 7.972707 | 7.908374 | 8.026464 | 7.903292 | 7.921356 | 7.900474 | 7.56823 | 7.68981 | 7.927754 | 7.737833 | 7.921414 | 8.029292 | 7.953721 | 7.786895 | 7.861207 | 7.786215 | 7.798408 | 7.744556 | 7.967727 | 7.806209 | 7.875782 | 7.933763 | 8.068773 | 7.884559 | 8.037596 | 8.130251 | 8.04397 | 7.66964 | 7.955365 | 7.832634 | 7.96077 | 7.687611 | 7.82136 | 7.941698 | 7.949571 | 8.05587 | 8.009802 | 7.817959 | 7.8354 | 7.751568 | 8.043573 | 7.968612 | 8.100965 | 7.981968 | 8.013948 | 8.059765 | 7.769287 | 8.02042 | 7.966415 | 7.993136 | 8.029673 | 7.78571 | 7.904855 | 7.982604 | 8.036533 | 7.899429 | 7.997038 | 7.626072 | 7.945605 | 7.787525 | 7.893788 | 7.746093 | 8.068581 | 8.000263 | 7.796951 | 7.917917 | 7.775469 | 7.853287 | 7.926029 | 7.810945 | 7.920337 | 7.782364 | 7.91283 | 7.94557 | 7.943532 | 8.127706 | 7.83548 | 8.074987 | 7.994975 | 7.694819 | 7.813341 | 8.107452 | 7.984255 | 8.107672 | 8.175479 | 8.00743 | 7.917264 | 7.666885 | 7.860559 | 7.977315 | 7.976021 | 7.716727 | 7.820917 | 7.760267 | 7.903809 | 7.944413 | 7.893502 | 7.727163 | 7.802649 | 8.021604 | 7.974221 | 7.863314 | 7.855928 | 7.965003 | 7.934365 | 7.992717 | 7.817295 | 7.879845 | 8.037769 | 7.899539 | 7.792199 | 7.846111 | 7.994345 | 7.777427 | 7.748732 | 7.753729 | 7.812285 | 7.57478 | 8.050418 | 8.045926 | 7.892261 | 7.937311 | 7.926733 | 7.992269 | [C][N][Branch1][C][C][C][/C][=C][/C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=N][C][=C][Ring1][=Branch1][O][C@H1][C][C][O][C][Ring1][Branch1][N][=C][N][=C][Ring1][=C][N][C][=C][C][=C][C] | -0.51107 | Q92630 | P42679 | P08922 | 7.687611 | 8.251788 | 8.236246 |
CC(C)C1=CC(=NO1)NC(=O)NC2=CC=CC(=C2)OC=CC=CC=C=C | 6.426106 | 6.477567 | 6.644486 | 6.237832 | 6.756334 | 6.686988 | 6.61663 | 6.805798 | 6.341463 | 6.642855 | 6.548108 | 6.22367 | 6.472927 | 6.561625 | 6.510667 | 6.333029 | 6.261592 | 6.373754 | 6.456938 | 6.356829 | 6.472337 | 6.213364 | 6.431801 | 6.500159 | 6.360713 | 6.626022 | 6.682163 | 6.576887 | 6.598425 | 6.334126 | 6.523195 | 6.370827 | 6.36811 | 6.343223 | 6.659654 | 6.899627 | 6.423378 | 6.563936 | 6.334222 | 6.289543 | 6.509777 | 6.605194 | 6.733386 | 6.969109 | 6.428712 | 6.370563 | 6.565488 | 6.323071 | 6.456275 | 6.532873 | 6.852619 | 6.898983 | 6.462822 | 6.717581 | 6.581077 | 6.685036 | 6.851249 | 6.65306 | 7.025099 | 6.084803 | 6.493529 | 6.322044 | 6.466949 | 6.347181 | 6.426046 | 6.827256 | 6.71314 | 6.431116 | 6.880713 | 6.528436 | 6.207659 | 6.524276 | 6.186918 | 6.655063 | 6.456716 | 6.247703 | 6.273636 | 6.59052 | 6.267395 | 6.362505 | 6.30071 | 6.192315 | 6.875029 | 6.941683 | 6.917481 | 7.016926 | 6.275902 | 6.23028 | 6.749867 | 6.454092 | 6.359699 | 6.570282 | 6.564444 | 6.355605 | 6.424275 | 6.410007 | 6.612333 | 6.438005 | 6.692426 | 6.167932 | 6.893752 | 6.474864 | 6.819853 | 6.575667 | 6.567451 | 6.738581 | 6.660774 | 6.419706 | 6.378937 | 6.515728 | 6.413715 | 6.577126 | 6.666871 | 6.435965 | 6.416128 | 6.54387 | 6.473426 | 6.700933 | 6.10872 | 6.938433 | 6.506621 | 6.236543 | 6.533977 | 6.726284 | 6.898185 | 6.476526 | 6.726979 | 6.769311 | 6.611856 | 6.656 | 6.162648 | 6.26208 | 6.310709 | 6.502431 | 6.919662 | 6.833083 | 6.238551 | 6.28094 | 6.914677 | 6.295489 | 6.309753 | 6.241129 | 6.288202 | 6.482233 | 6.276625 | 6.274089 | 6.739074 | 6.444038 | 6.652603 | 6.46209 | 6.292788 | 6.263578 | 6.641851 | 6.406788 | 6.452074 | 6.383649 | 6.848831 | 6.917393 | 6.453957 | 6.250983 | 6.298109 | 6.50767 | 6.411307 | 6.378295 | 6.240492 | 6.570573 | 6.529131 | 6.486516 | 6.263224 | 6.618661 | 7.072001 | 6.590674 | 6.368979 | 6.226461 | 6.413832 | 6.334772 | 6.371547 | 6.278854 | 6.627233 | 6.710061 | 6.279148 | 6.607308 | 6.862304 | 6.807567 | 6.525618 | 6.217354 | 6.448259 | 6.834738 | 6.847422 | 6.313089 | 6.677087 | 6.499836 | 6.806982 | 6.510497 | 6.508964 | 6.564445 | 6.957379 | 6.368119 | 6.432312 | 6.570284 | 6.783762 | 6.333303 | 6.685606 | 6.304287 | 6.868847 | 6.469586 | 6.773683 | 6.288164 | 6.817574 | 6.295048 | 6.689503 | 6.516469 | 6.475953 | 6.504171 | 6.33655 | 6.640814 | 6.543435 | 6.319332 | 6.467072 | 6.433532 | 6.39751 | 6.349515 | 6.542257 | 6.287761 | 6.401728 | 6.638915 | 6.523349 | 6.442125 | 6.805007 | 6.17698 | 6.414171 | 6.460872 | 6.276102 | 7.02508 | 6.367805 | 6.39236 | 6.315155 | 6.566043 | 6.62596 | 6.795044 | 6.116607 | 6.320123 | 6.366762 | 6.475122 | 6.231453 | 6.55116 | 6.550731 | 6.698845 | 6.451849 | 6.974719 | 6.434201 | 6.667108 | 6.584502 | 6.577466 | 6.632817 | 6.318459 | 6.335599 | 6.602016 | 6.350331 | 6.412133 | 6.444939 | 6.767326 | 6.297786 | 6.371422 | 6.622117 | 6.366324 | 6.571239 | 6.915257 | 6.597859 | 6.49176 | 6.412707 | 6.307129 | 6.543092 | 6.530365 | 6.242622 | 6.232754 | 6.13246 | 6.438282 | 6.778812 | 6.456275 | 6.799611 | 6.350259 | 6.603749 | 6.885237 | 6.256492 | 6.262443 | 6.84164 | 6.235267 | 6.292126 | 6.480963 | 6.442069 | 6.796797 | 6.389348 | 6.567009 | 6.523416 | 6.922521 | 6.757654 | 6.243485 | 6.30605 | 6.358449 | 6.603197 | 6.289123 | 6.727548 | 6.542747 | 6.292827 | 6.599814 | 6.43908 | 6.508097 | 6.304698 | 6.716358 | 6.194338 | 6.541433 | 7.001649 | 6.367769 | 6.70702 | 6.370649 | 6.198149 | 6.564691 | 6.686765 | 6.394819 | 6.689468 | 6.579844 | 6.188735 | 6.3665 | 6.362107 | 6.318608 | 6.502199 | 6.797334 | 6.372438 | 6.34197 | 6.302508 | 6.361373 | 6.455802 | 6.751792 | 6.574564 | 6.300205 | 6.616127 | 6.321431 | 6.510693 | 6.570251 | 6.750683 | 6.337279 | 6.353919 | 6.31131 | 6.401417 | 7.081656 | 6.506907 | 6.404555 | 6.342726 | 6.519828 | 6.701642 | 6.397015 | 6.62104 | 6.757696 | 6.337898 | 6.379661 | 6.218422 | 6.6825 | 6.312571 | 6.526741 | 6.472079 | 6.611797 | 6.460619 | 6.645206 | 6.122885 | 6.434428 | 6.493614 | 6.255706 | 6.350458 | 6.850455 | 6.6382 | 6.624365 | 6.895701 | 6.550284 | 6.358633 | 6.297978 | 6.801569 | 6.443522 | 6.5656 | 6.654463 | 6.242278 | 6.502833 | 6.491277 | 6.38628 | 6.538198 | 6.672484 | 6.628662 | 6.800925 | 6.641035 | 7.127859 | 6.459417 | [C][C][Branch1][C][C][C][=C][C][=Branch1][Branch1][=N][O][Ring1][Branch1][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][=C][C][=C][C][=C][=C] | -0.676053 | Q92630 | Q9Y6M4 | Q9HCP0 | 6.30605 | 7.127859 | 7.081656 |
CN1CCN(CC1)C2=CC=C(C=C2F)NC3=NC4=C(C=C[NH1]4)C(=N3)OC | 7.22947 | 6.465773 | 7.858689 | 6.970108 | 7.394815 | 6.447324 | 7.277637 | 6.114495 | 7.257547 | 6.172422 | 7.064378 | 7.862031 | 5.888918 | 7.506032 | 6.033473 | 6.215096 | 7.145194 | 7.331659 | 6.895853 | 6.899744 | 7.202479 | 7.056799 | 7.34892 | 7.826972 | 6.328737 | 6.994891 | 6.576123 | 7.19244 | 6.769653 | 7.357702 | 7.107327 | 7.304361 | 7.331453 | 6.877793 | 7.530381 | 7.260608 | 7.057435 | 5.993522 | 7.587454 | 6.120124 | 6.90892 | 7.098772 | 5.686716 | 7.700325 | 5.883062 | 6.243319 | 5.781305 | 6.312585 | 5.949551 | 6.834139 | 6.140707 | 7.775628 | 6.035611 | 6.209166 | 7.399997 | 5.889385 | 6.892357 | 6.678324 | 6.364489 | 6.990873 | 6.0577 | 7.364551 | 6.696083 | 6.985763 | 7.710495 | 7.271164 | 6.01954 | 6.180259 | 6.021528 | 6.683691 | 7.676606 | 5.970211 | 6.923628 | 6.131226 | 6.121094 | 6.136993 | 6.959133 | 7.425041 | 7.109752 | 6.772303 | 6.794111 | 5.89087 | 6.812479 | 7.609481 | 6.369728 | 6.818541 | 6.117618 | 5.992925 | 7.331809 | 6.425378 | 6.286033 | 7.600279 | 7.281739 | 7.068961 | 7.164118 | 7.176385 | 5.881281 | 6.700631 | 6.230282 | 5.974037 | 7.120099 | 7.309272 | 6.340456 | 5.553968 | 6.320086 | 7.418707 | 8.103265 | 7.267789 | 6.556912 | 7.643279 | 7.395298 | 7.039709 | 5.910346 | 7.378781 | 5.766301 | 7.574783 | 7.427241 | 6.077546 | 6.50364 | 5.875121 | 5.792318 | 6.449724 | 5.893601 | 6.4203 | 7.160664 | 6.655852 | 6.527158 | 7.036904 | 6.765647 | 7.680722 | 6.750601 | 6.462935 | 6.662744 | 7.592413 | 5.7508 | 7.459622 | 7.037418 | 7.32737 | 6.568282 | 7.394136 | 7.166928 | 7.014081 | 7.398684 | 7.400357 | 6.592275 | 6.503824 | 6.497666 | 7.599948 | 7.481524 | 6.594078 | 7.043335 | 7.661655 | 7.361536 | 7.595522 | 6.007525 | 7.191527 | 7.15519 | 7.657019 | 6.14991 | 5.703248 | 7.218968 | 6.088828 | 6.218868 | 6.113636 | 5.860264 | 6.082884 | 7.573504 | 6.462397 | 6.562016 | 7.539489 | 6.092465 | 7.306959 | 6.558205 | 6.656537 | 7.279541 | 7.290459 | 7.307896 | 7.028509 | 5.89442 | 7.028104 | 7.371949 | 6.277576 | 7.036687 | 6.552245 | 5.751501 | 6.481933 | 6.787128 | 7.353218 | 5.802783 | 6.965038 | 7.628736 | 7.205798 | 7.062956 | 7.227129 | 7.044845 | 7.181733 | 6.159475 | 7.190228 | 7.458434 | 6.353541 | 6.227177 | 7.377115 | 6.367397 | 7.209669 | 5.801946 | 7.103357 | 6.364801 | 6.208339 | 7.328015 | 7.228913 | 7.548095 | 6.261898 | 6.762807 | 7.075966 | 7.678787 | 7.268711 | 7.301211 | 7.383789 | 6.826455 | 6.691549 | 6.80898 | 7.59543 | 5.859705 | 7.699463 | 7.241083 | 7.830598 | 6.7943 | 5.982795 | 7.722534 | 7.213846 | 6.631179 | 7.163636 | 7.087711 | 7.88675 | 6.090295 | 6.338123 | 6.243533 | 6.523624 | 7.142482 | 7.748451 | 6.753258 | 7.221652 | 7.173259 | 6.984867 | 6.191662 | 7.114462 | 7.476959 | 7.391186 | 6.569288 | 7.540436 | 7.278891 | 6.807868 | 7.394094 | 7.486123 | 6.522229 | 6.456129 | 7.51405 | 6.697333 | 7.135128 | 7.085021 | 7.51189 | 7.315147 | 6.394368 | 7.044668 | 7.340718 | 7.133285 | 7.584769 | 7.208423 | 7.427708 | 7.544486 | 6.315893 | 7.314959 | 6.114563 | 6.681172 | 6.157842 | 6.564612 | 6.684269 | 7.178532 | 7.419035 | 7.651294 | 7.091995 | 7.426838 | 7.265853 | 6.475096 | 7.372348 | 6.573 | 7.44757 | 7.21191 | 7.295803 | 6.473582 | 7.150856 | 7.637387 | 7.330573 | 7.365894 | 6.571192 | 7.617663 | 7.300365 | 7.065625 | 7.238493 | 6.531687 | 7.336856 | 7.45938 | 6.896414 | 7.664277 | 7.127279 | 6.30606 | 6.644485 | 7.196932 | 7.336867 | 6.428081 | 7.388599 | 7.251354 | 7.566348 | 7.348639 | 7.762892 | 6.714122 | 7.488275 | 6.719888 | 7.488564 | 7.133992 | 7.223764 | 7.880747 | 7.204358 | 6.551144 | 6.650412 | 6.591396 | 7.117615 | 6.499803 | 7.009029 | 7.820911 | 7.52881 | 7.095714 | 6.126231 | 7.188698 | 7.377656 | 7.368811 | 6.13583 | 7.372761 | 7.139328 | 6.932007 | 7.127361 | 7.352146 | 7.685658 | 7.197742 | 7.443611 | 5.53142 | 7.156384 | 7.269413 | 6.40039 | 7.148107 | 7.05107 | 7.110657 | 7.380896 | 7.668115 | 6.710853 | 6.417013 | 7.205342 | 7.140624 | 7.091049 | 7.52941 | 7.081923 | 7.57716 | 6.807878 | 7.479446 | 7.006002 | 7.548398 | 6.647573 | 7.219919 | 7.345714 | 7.470863 | 7.531024 | 7.450099 | 7.499582 | 7.576118 | 6.395696 | 7.079378 | 6.86558 | 7.305891 | 5.735108 | 7.921953 | 6.674708 | 7.19487 | 7.282091 | 7.481267 | 6.43258 | 6.976055 | 7.432573 | 7.052835 | 7.453841 | 5.736383 | 6.131456 | [C][N][C][C][N][Branch1][Branch1][C][C][Ring1][=Branch1][C][=C][C][=C][Branch1][=Branch1][C][=C][Ring1][=Branch1][F][N][C][=N][C][=C][Branch1][=Branch1][C][=C][NH1][Ring1][Branch1][C][=Branch1][Ring2][=N][Ring1][=Branch2][O][C] | -0.698708 | Q92630 | P33981 | Q9Y2H1 | 7.238493 | 8.103265 | 7.921953 |
C[C@@H1](C1=NC2=CC=C(C=C2C(=O)N1C3=CC=CC=C3)F)NC=C4C(N=C[NH1]4)=N | 7.302718 | 7.304139 | 7.736832 | 7.41977 | 7.551826 | 7.414821 | 7.513092 | 7.610603 | 7.398574 | 7.563449 | 7.461192 | 7.275731 | 7.226892 | 7.395597 | 7.266208 | 7.244427 | 7.382222 | 7.443808 | 7.434556 | 7.296119 | 7.317007 | 7.409831 | 7.396381 | 7.454862 | 7.166035 | 7.421446 | 7.533477 | 7.475487 | 7.490877 | 7.352544 | 7.541947 | 7.53499 | 7.400822 | 7.218468 | 7.494293 | 7.583938 | 7.512617 | 7.491985 | 7.396451 | 7.272719 | 7.420889 | 7.529259 | 7.480525 | 7.571945 | 7.223463 | 7.374043 | 7.391994 | 7.39407 | 7.405688 | 7.3303 | 7.54497 | 7.58637 | 7.413833 | 7.479914 | 7.309105 | 7.471081 | 7.547574 | 7.462257 | 7.672826 | 7.146637 | 7.45788 | 7.524796 | 7.492552 | 7.312716 | 7.371828 | 7.472863 | 7.494376 | 7.412543 | 7.578794 | 7.51582 | 7.354143 | 7.378726 | 7.306358 | 7.544142 | 7.409544 | 7.422091 | 7.302743 | 7.495211 | 7.45322 | 7.479732 | 7.485837 | 6.970458 | 7.495217 | 7.566703 | 7.534616 | 7.499911 | 7.382304 | 7.361449 | 7.246204 | 7.520539 | 7.392505 | 7.31238 | 7.481569 | 7.346573 | 7.544158 | 7.439346 | 7.266695 | 7.230614 | 7.257859 | 7.107946 | 7.675443 | 7.571451 | 7.409092 | 7.459123 | 7.492898 | 7.413894 | 7.587339 | 7.330176 | 7.387028 | 7.291837 | 7.48137 | 7.436604 | 7.569546 | 7.324717 | 7.166344 | 7.37932 | 7.266459 | 7.523995 | 6.858754 | 7.667021 | 7.342221 | 7.224981 | 7.425195 | 7.499612 | 7.636756 | 7.377495 | 7.50338 | 7.394601 | 7.396873 | 7.339602 | 7.175891 | 7.163599 | 7.280473 | 7.430812 | 7.479511 | 7.553434 | 7.25961 | 7.458786 | 7.617826 | 7.504646 | 7.393939 | 7.404517 | 7.368073 | 7.474074 | 7.351817 | 7.389764 | 7.51231 | 7.498918 | 7.554549 | 7.281259 | 7.315977 | 7.366508 | 7.521477 | 7.371535 | 7.478055 | 7.396973 | 7.600587 | 7.62315 | 7.282435 | 7.104814 | 7.407975 | 7.139855 | 7.158075 | 6.984664 | 7.078954 | 7.313949 | 7.509877 | 7.303185 | 7.483263 | 7.56158 | 7.510746 | 7.467733 | 7.322304 | 7.349625 | 7.387797 | 7.173909 | 7.245064 | 7.466325 | 7.517107 | 7.474117 | 7.434141 | 7.644198 | 7.456994 | 7.49129 | 7.404222 | 7.239384 | 7.486063 | 7.593813 | 7.487984 | 7.302245 | 7.601567 | 7.381143 | 7.519527 | 7.320323 | 7.548157 | 7.395334 | 7.580763 | 7.387519 | 7.532179 | 7.514071 | 7.531602 | 7.414818 | 7.536886 | 7.347639 | 7.555141 | 7.253358 | 7.568645 | 7.173951 | 7.612743 | 7.298713 | 7.423215 | 7.546453 | 7.467017 | 7.489039 | 7.445702 | 7.539285 | 7.273487 | 7.241164 | 7.28278 | 7.483869 | 7.472173 | 7.351975 | 7.536792 | 7.46385 | 7.481018 | 7.607275 | 7.433036 | 7.277657 | 7.517505 | 7.365545 | 7.27163 | 7.45405 | 7.266625 | 7.691774 | 7.357085 | 7.446527 | 7.302442 | 7.425063 | 7.457576 | 7.484546 | 7.058758 | 7.331299 | 7.474319 | 7.461565 | 7.323627 | 7.516594 | 7.44017 | 7.532003 | 7.466164 | 7.637155 | 7.395304 | 7.626446 | 7.314861 | 7.377676 | 7.583838 | 7.445727 | 7.48315 | 7.598777 | 7.319137 | 7.628066 | 7.331285 | 7.635298 | 7.423954 | 7.52351 | 7.529906 | 7.46838 | 7.483861 | 7.548646 | 7.525288 | 7.515751 | 7.48273 | 7.487939 | 7.42522 | 7.507239 | 7.238441 | 7.439353 | 7.195516 | 7.597848 | 7.558843 | 7.468783 | 7.599003 | 7.403704 | 7.515233 | 7.427018 | 7.47494 | 7.484235 | 7.511819 | 7.290066 | 7.506001 | 7.452814 | 7.580971 | 7.578005 | 7.453551 | 7.541157 | 7.228218 | 7.584538 | 7.512135 | 7.408423 | 7.495624 | 7.373794 | 7.566725 | 7.356411 | 7.623209 | 7.452768 | 7.480927 | 7.470924 | 7.39123 | 7.415229 | 7.391768 | 7.5783 | 7.390394 | 7.582914 | 7.601297 | 7.37358 | 7.447779 | 7.432811 | 7.274767 | 7.559064 | 7.430086 | 7.460674 | 7.483469 | 7.480059 | 7.317452 | 7.468894 | 7.30722 | 7.382441 | 7.226667 | 7.548081 | 7.588929 | 7.407035 | 7.459553 | 7.462716 | 7.332763 | 7.606504 | 7.522589 | 7.506636 | 7.396232 | 7.505486 | 7.222786 | 7.489432 | 7.527766 | 7.463108 | 7.381403 | 7.26221 | 7.463448 | 7.591865 | 7.418762 | 7.349277 | 7.434528 | 7.563739 | 7.664054 | 7.454615 | 7.527962 | 7.54645 | 7.374391 | 7.481539 | 7.372643 | 7.485526 | 7.486845 | 7.461165 | 7.372388 | 7.51838 | 7.463871 | 7.180858 | 7.181124 | 7.354332 | 7.325966 | 7.315695 | 7.48874 | 7.570229 | 7.49961 | 7.496027 | 7.628523 | 7.527924 | 7.428122 | 7.433596 | 7.683659 | 7.472416 | 7.500139 | 7.589023 | 7.340519 | 7.321952 | 7.271931 | 7.347814 | 7.520069 | 7.493954 | 7.360067 | 7.567932 | 7.52248 | 7.571804 | 7.360723 | [C][C@@H1][Branch2][Ring1][=C][C][=N][C][=C][C][=C][Branch2][Ring1][Ring2][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][F][N][C][=C][C][Branch1][=Branch1][N][=C][NH1][Ring1][Branch1][=N] | -0.236636 | Q92630 | O00311 | Q16288 | 7.495624 | 7.736832 | 7.691774 |
CN(C)C/C=C/C(=O)NC1=CC=C(C=C1O[C@H1]2CCOC2)N=C | 6.075758 | 5.807956 | 7.908228 | 6.071062 | 6.530025 | 6.20961 | 6.502404 | 6.546573 | 6.171935 | 5.98935 | 6.299225 | 6.37797 | 5.36568 | 6.594759 | 5.603027 | 6.030057 | 6.125836 | 6.412693 | 6.107013 | 6.109553 | 6.560911 | 6.377273 | 6.166551 | 6.643199 | 6.313657 | 6.160598 | 6.41812 | 6.189893 | 6.064977 | 6.308945 | 6.264064 | 6.136395 | 6.108154 | 6.126888 | 6.462882 | 6.601713 | 6.565671 | 5.889325 | 6.223295 | 6.128387 | 6.202946 | 6.153889 | 6.107836 | 7.339238 | 5.755136 | 6.098092 | 5.070474 | 6.282627 | 5.663747 | 6.129961 | 6.275722 | 7.070505 | 6.211094 | 6.407115 | 6.807006 | 5.623517 | 6.658624 | 6.430174 | 6.816169 | 6.116885 | 6.270023 | 6.474979 | 5.951135 | 6.23676 | 6.744677 | 6.707393 | 6.415708 | 6.111034 | 6.444817 | 6.338749 | 6.267358 | 6.077709 | 6.366646 | 6.153732 | 6.108025 | 5.215136 | 6.146804 | 6.603915 | 6.502823 | 6.27441 | 6.207275 | 5.923249 | 6.524337 | 6.827513 | 6.454329 | 7.030696 | 5.049744 | 5.030981 | 6.59182 | 6.213409 | 6.086401 | 6.581326 | 5.959109 | 6.100605 | 6.112509 | 6.246489 | 6.381278 | 6.241729 | 5.837011 | 5.471931 | 6.718866 | 6.758753 | 6.429651 | 5.431456 | 5.928991 | 6.290956 | 6.652317 | 6.151301 | 6.551753 | 6.494305 | 6.23354 | 6.345532 | 5.976699 | 6.439786 | 5.568725 | 6.387658 | 5.966808 | 5.62689 | 5.616823 | 6.146293 | 5.234236 | 5.55771 | 6.308998 | 6.416211 | 6.593827 | 6.430501 | 6.072606 | 6.198147 | 6.366782 | 6.565656 | 5.992606 | 5.951638 | 6.409785 | 6.449492 | 6.494127 | 6.904839 | 6.108521 | 6.337294 | 6.786856 | 6.476868 | 6.006736 | 5.779902 | 7.013141 | 7.019024 | 6.108157 | 6.107867 | 6.461383 | 6.15991 | 6.489908 | 5.998146 | 6.192666 | 6.548613 | 6.219877 | 6.317729 | 5.039169 | 6.258445 | 6.372064 | 6.744555 | 5.993766 | 5.465073 | 6.545731 | 5.398706 | 5.716692 | 4.978896 | 5.119996 | 5.91378 | 6.423879 | 6.022547 | 6.265572 | 6.620939 | 6.615982 | 6.211661 | 6.046818 | 6.124052 | 6.313403 | 6.05534 | 5.9967 | 5.877549 | 5.730845 | 6.930676 | 6.254082 | 6.133526 | 6.418171 | 6.524115 | 5.434097 | 5.300124 | 6.028496 | 6.748349 | 5.896801 | 5.995023 | 6.445269 | 6.376734 | 6.338048 | 6.533167 | 6.27872 | 6.522292 | 6.106771 | 6.277234 | 6.751633 | 6.063043 | 6.479803 | 6.077732 | 6.097141 | 6.167887 | 5.960738 | 6.192663 | 6.193027 | 5.926125 | 6.212143 | 6.153423 | 6.400576 | 6.079766 | 6.137323 | 6.193745 | 6.814234 | 6.280711 | 6.341719 | 6.284295 | 6.206777 | 6.374136 | 6.177245 | 6.62044 | 5.65071 | 6.175223 | 6.093746 | 6.646191 | 6.280553 | 5.940784 | 7.034849 | 6.07354 | 5.987134 | 6.237988 | 5.96952 | 7.135113 | 5.714016 | 5.96732 | 6.049608 | 6.15299 | 6.275396 | 6.720367 | 5.223288 | 6.144368 | 6.156696 | 6.608396 | 5.972294 | 6.199894 | 6.143759 | 6.485024 | 6.416123 | 6.924681 | 6.194901 | 6.727083 | 6.795984 | 6.690114 | 6.57592 | 6.035525 | 6.873787 | 6.218121 | 6.127651 | 6.009753 | 6.576795 | 6.318155 | 6.265823 | 6.04484 | 6.302566 | 6.142898 | 6.338846 | 6.540965 | 6.790771 | 6.612751 | 6.092289 | 6.751842 | 6.11167 | 6.321982 | 5.714848 | 6.165078 | 6.065344 | 6.281856 | 6.551108 | 6.237048 | 6.354373 | 6.307011 | 6.130124 | 6.600422 | 6.287383 | 6.249033 | 6.852251 | 6.097651 | 6.287408 | 6.489606 | 6.257555 | 6.391646 | 6.784385 | 6.442403 | 6.054372 | 6.581461 | 6.406829 | 6.191563 | 6.671497 | 6.117121 | 6.750314 | 6.063164 | 6.247931 | 6.802616 | 6.15251 | 6.107423 | 5.707897 | 6.211997 | 6.500879 | 6.220906 | 6.425517 | 6.468855 | 7.049825 | 6.201618 | 6.367429 | 6.350472 | 6.289565 | 6.539516 | 6.518189 | 6.231767 | 6.500261 | 6.773667 | 6.048807 | 6.24439 | 6.042514 | 6.149456 | 6.36215 | 6.644353 | 6.080628 | 6.556821 | 6.321038 | 6.199733 | 5.820813 | 6.244348 | 6.544087 | 6.814013 | 6.333232 | 6.860941 | 6.547994 | 6.247252 | 6.300964 | 6.62017 | 6.681064 | 6.039487 | 6.631135 | 6.275007 | 6.105904 | 6.448652 | 5.850047 | 6.448333 | 6.206194 | 6.561622 | 6.652389 | 6.441052 | 5.950308 | 6.193522 | 6.242126 | 6.698852 | 5.986599 | 6.407625 | 6.040592 | 6.270549 | 6.058197 | 6.124269 | 6.040227 | 6.317352 | 6.222395 | 6.171297 | 6.421678 | 6.749679 | 6.327135 | 6.624056 | 6.863692 | 6.448032 | 6.135848 | 6.227156 | 6.240264 | 6.237848 | 5.801384 | 6.84282 | 6.15086 | 6.192166 | 6.417078 | 6.721958 | 6.333235 | 6.076681 | 6.767581 | 6.42078 | 6.454678 | 6.4938 | 5.359893 | [C][N][Branch1][C][C][C][/C][=C][/C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=N][C][=C][Ring1][=Branch1][O][C@H1][C][C][O][C][Ring1][Branch1][N][=C] | -0.844521 | Q92630 | O00311 | P04629 | 6.671497 | 7.908228 | 7.339238 |
CN1CCN(CC1)C2=CC=C(C=C2F)NC=NC3=CC=C[NH1]3 | 6.316375 | 6.469173 | 7.214695 | 6.349182 | 6.859277 | 6.485762 | 6.686366 | 6.583501 | 6.61904 | 6.399875 | 6.425353 | 6.495059 | 6.443067 | 6.622715 | 6.279311 | 6.35338 | 6.456447 | 6.637336 | 6.306338 | 6.359348 | 6.529332 | 6.404775 | 6.474365 | 6.551244 | 6.251927 | 6.413898 | 6.696304 | 6.527532 | 6.518644 | 6.423737 | 6.679068 | 6.417159 | 6.469284 | 6.420473 | 6.572663 | 6.746282 | 6.601438 | 6.440539 | 6.464921 | 6.364021 | 6.632464 | 6.423869 | 6.707593 | 7.043608 | 6.218526 | 6.261746 | 6.386998 | 6.311047 | 6.198196 | 6.412879 | 6.489566 | 6.898864 | 6.312779 | 6.426462 | 6.571427 | 6.420688 | 6.492848 | 6.423801 | 6.645613 | 6.32526 | 6.277011 | 6.584416 | 6.302816 | 6.499692 | 6.447099 | 6.605522 | 6.664506 | 6.283963 | 6.476641 | 6.375221 | 6.490719 | 6.516515 | 6.497237 | 6.401 | 6.286579 | 6.217608 | 6.407266 | 6.590516 | 6.690371 | 6.528311 | 6.411791 | 6.248411 | 6.612179 | 6.896944 | 6.505375 | 6.757702 | 6.219207 | 6.206384 | 6.47123 | 6.285745 | 6.417454 | 6.438842 | 6.396997 | 6.422053 | 6.470036 | 6.417292 | 6.373626 | 6.280933 | 6.356901 | 6.244506 | 6.794173 | 6.747612 | 6.460499 | 6.342843 | 6.515409 | 6.463956 | 6.561939 | 6.444973 | 6.602211 | 6.450644 | 6.422154 | 6.422356 | 6.427197 | 6.608716 | 6.478847 | 6.651292 | 6.500021 | 6.524544 | 6.23032 | 6.713989 | 6.408811 | 6.257498 | 6.689987 | 6.424572 | 6.691016 | 6.455236 | 6.309896 | 6.407036 | 6.506905 | 6.594424 | 6.386719 | 6.344639 | 6.469548 | 6.673665 | 6.352505 | 6.675121 | 6.411718 | 6.541304 | 6.652371 | 6.567698 | 6.293528 | 6.23019 | 6.45847 | 6.623817 | 6.309262 | 6.500132 | 6.447735 | 6.573922 | 6.677257 | 6.35305 | 6.354982 | 6.618639 | 6.580614 | 6.61227 | 6.389685 | 6.497978 | 6.460639 | 6.552456 | 6.400566 | 6.33223 | 6.415735 | 6.32152 | 6.225373 | 6.244354 | 6.229277 | 6.24613 | 6.76386 | 6.324216 | 6.697316 | 6.739931 | 6.412009 | 6.396125 | 6.454519 | 6.39835 | 6.572966 | 6.443637 | 6.347003 | 6.308794 | 6.391364 | 6.696766 | 6.438698 | 6.411018 | 6.529229 | 6.601316 | 6.447708 | 6.198441 | 6.286807 | 6.75562 | 6.464175 | 6.368874 | 6.717187 | 6.515382 | 6.668596 | 6.509446 | 6.664649 | 6.514676 | 6.570778 | 6.599717 | 6.648157 | 6.505953 | 6.525932 | 6.52079 | 6.532736 | 6.518346 | 6.394384 | 6.505174 | 6.264925 | 6.169501 | 6.569 | 6.414961 | 6.613923 | 6.413633 | 6.419576 | 6.444439 | 6.647663 | 6.589548 | 6.551717 | 6.502274 | 6.379248 | 6.576105 | 6.38543 | 6.68904 | 6.640793 | 6.459475 | 6.439364 | 6.784272 | 6.890373 | 6.222163 | 6.730456 | 6.481417 | 6.292605 | 6.495563 | 6.406581 | 6.854534 | 6.168023 | 6.199378 | 6.310913 | 6.379246 | 6.400219 | 6.525493 | 6.141907 | 6.451615 | 6.456213 | 6.431355 | 6.221097 | 6.528737 | 6.521809 | 6.608618 | 6.459511 | 6.822583 | 6.42753 | 6.732945 | 6.524021 | 6.68653 | 6.566256 | 6.409508 | 6.589831 | 6.325494 | 6.315884 | 6.419213 | 6.385346 | 6.567389 | 6.5042 | 6.383952 | 6.569844 | 6.400109 | 6.514948 | 6.595595 | 6.621152 | 6.649315 | 6.24825 | 6.699596 | 6.375089 | 6.629956 | 6.168472 | 6.556347 | 6.281365 | 6.48604 | 6.674164 | 6.439923 | 6.527858 | 6.51696 | 6.523935 | 6.366064 | 6.451486 | 6.704241 | 6.671813 | 6.426901 | 6.696876 | 6.438009 | 6.429874 | 6.694924 | 6.58266 | 6.64649 | 6.327123 | 6.601253 | 6.810946 | 6.40645 | 6.539666 | 6.489468 | 6.885078 | 6.337314 | 6.567639 | 6.661959 | 6.508985 | 6.30561 | 6.359442 | 6.396919 | 6.478309 | 6.493768 | 6.513526 | 6.758485 | 6.614913 | 6.671828 | 6.631228 | 6.580008 | 6.472207 | 6.575496 | 6.855015 | 6.427325 | 6.512399 | 6.885526 | 6.387444 | 6.439583 | 6.396796 | 6.328294 | 6.471166 | 6.499878 | 6.416617 | 6.591814 | 6.479276 | 6.521107 | 6.237256 | 6.626597 | 6.654817 | 6.749788 | 6.604293 | 6.757304 | 6.464333 | 6.476268 | 6.546365 | 6.639857 | 6.639499 | 6.291285 | 6.637405 | 6.516163 | 6.587231 | 6.470028 | 6.689126 | 6.621182 | 6.571681 | 6.463122 | 6.642758 | 6.58114 | 6.268596 | 6.505737 | 6.443747 | 6.549627 | 6.35367 | 6.835565 | 6.431417 | 6.816235 | 6.43874 | 6.50991 | 6.236553 | 6.439869 | 6.379838 | 6.582202 | 6.561224 | 6.892708 | 6.497886 | 6.666249 | 6.915956 | 6.719276 | 6.346412 | 6.483744 | 6.613375 | 6.556931 | 6.360888 | 6.817009 | 6.409386 | 6.564707 | 6.529213 | 6.605277 | 6.625497 | 6.448747 | 6.542359 | 6.561717 | 6.758078 | 6.439231 | 6.35949 | [C][N][C][C][N][Branch1][Branch1][C][C][Ring1][=Branch1][C][=C][C][=C][Branch1][=Branch1][C][=C][Ring1][=Branch1][F][N][C][=N][C][=C][C][=C][NH1][Ring1][Branch1] | -0.588278 | Q92630 | O00311 | P04629 | 6.539666 | 7.214695 | 7.043608 |
CN(C)C/C=C/C(=O)NC1=CC=CC=C1O[C@H1]CCOC | 5.447708 | 5.826321 | 5.468484 | 5.451909 | 5.94963 | 5.1767 | 6.086309 | 5.617103 | 4.76214 | 5.284703 | 5.687448 | 5.638045 | 4.641098 | 5.864891 | 4.874904 | 5.051766 | 4.890929 | 5.229576 | 5.71385 | 5.645553 | 5.706894 | 5.096131 | 5.798022 | 5.834148 | 5.407147 | 5.45163 | 5.623298 | 5.49121 | 5.710273 | 5.561398 | 5.919846 | 5.219797 | 5.530849 | 5.449097 | 5.898907 | 5.683248 | 4.800424 | 4.964323 | 5.196242 | 5.2521 | 5.868211 | 5.808617 | 5.622357 | 6.212784 | 4.93199 | 5.287964 | 4.543224 | 5.365095 | 5.239281 | 5.1664 | 5.156212 | 6.495117 | 5.29236 | 5.246726 | 5.83824 | 4.72642 | 5.801647 | 5.887972 | 5.67276 | 5.76783 | 5.184318 | 5.123268 | 5.676085 | 5.985924 | 5.955386 | 6.095083 | 5.185166 | 5.06388 | 4.762392 | 5.727328 | 5.177623 | 4.977228 | 6.078708 | 5.249391 | 5.609447 | 4.774691 | 5.908678 | 4.998064 | 5.647898 | 5.556497 | 4.792991 | 5.537992 | 5.968683 | 6.166122 | 5.900421 | 6.370934 | 4.67056 | 4.712337 | 5.913888 | 5.843071 | 5.508684 | 6.017767 | 5.58929 | 5.206567 | 5.764351 | 5.057844 | 5.575933 | 5.430941 | 5.581992 | 4.78646 | 5.517317 | 4.970138 | 5.697659 | 5.292156 | 5.492734 | 5.933084 | 5.966383 | 5.691308 | 5.639502 | 6.006017 | 5.901648 | 5.90411 | 5.890699 | 6.079492 | 5.464765 | 6.040859 | 6.04332 | 5.662644 | 5.552849 | 5.883044 | 4.559179 | 4.987192 | 5.532785 | 5.859682 | 5.954349 | 5.745219 | 5.569103 | 5.959854 | 5.67731 | 6.024487 | 5.358695 | 5.283844 | 5.783397 | 5.809892 | 5.829736 | 5.802786 | 4.801795 | 5.466639 | 5.867209 | 4.956664 | 5.062663 | 4.885615 | 5.820827 | 5.962207 | 5.609426 | 5.339261 | 5.821489 | 5.47847 | 5.640563 | 5.152637 | 4.906447 | 5.356246 | 5.194317 | 5.508894 | 4.56044 | 5.4575 | 6.108158 | 6.069408 | 4.72437 | 5.236676 | 5.819977 | 5.312214 | 5.275374 | 4.697071 | 4.613768 | 5.280723 | 5.812562 | 5.330414 | 5.348733 | 5.574099 | 5.232239 | 5.420125 | 5.113529 | 5.520003 | 5.145612 | 5.505931 | 5.049106 | 5.188037 | 5.745186 | 6.037777 | 5.416172 | 5.37993 | 5.729525 | 5.834073 | 5.223347 | 4.917036 | 5.120771 | 6.037399 | 5.265655 | 5.296623 | 5.889429 | 5.689638 | 5.981133 | 5.484661 | 5.742825 | 5.556036 | 5.780667 | 5.706944 | 5.500911 | 5.717279 | 5.953922 | 5.243289 | 5.80341 | 5.503627 | 5.597178 | 5.275414 | 5.045569 | 5.028332 | 5.867178 | 5.520842 | 5.867267 | 5.391286 | 5.664772 | 5.58763 | 5.398456 | 5.764184 | 5.764469 | 5.671477 | 5.154844 | 4.993004 | 5.235505 | 4.761227 | 5.217034 | 5.550966 | 5.096376 | 5.805243 | 5.87661 | 4.994366 | 5.667675 | 5.349995 | 4.992252 | 5.393384 | 5.277151 | 6.228693 | 4.626568 | 5.023474 | 5.147801 | 5.574808 | 5.699869 | 5.70096 | 4.825408 | 5.716231 | 5.437775 | 5.675925 | 4.857656 | 5.69789 | 5.855503 | 5.755208 | 5.154976 | 6.296076 | 5.464822 | 5.679462 | 5.620667 | 5.802957 | 5.379714 | 5.076359 | 5.176183 | 5.796082 | 5.39156 | 5.167803 | 5.422184 | 5.894912 | 5.201427 | 5.743951 | 5.903209 | 5.380235 | 6.042761 | 6.087365 | 5.990592 | 5.554617 | 5.070709 | 5.525654 | 5.430535 | 5.850654 | 4.837331 | 5.370427 | 5.110656 | 5.826818 | 6.255645 | 5.444373 | 5.683739 | 5.821278 | 5.66497 | 6.085258 | 5.379087 | 5.306279 | 5.807829 | 5.298526 | 5.707009 | 5.215235 | 5.871387 | 5.552954 | 5.650779 | 5.406835 | 5.872059 | 5.92497 | 5.819847 | 5.477102 | 5.409966 | 5.263479 | 5.753886 | 5.407813 | 5.723632 | 5.803082 | 5.834662 | 5.701372 | 5.140786 | 5.800044 | 5.294755 | 5.771391 | 5.113156 | 5.693197 | 5.883996 | 5.368251 | 5.653865 | 5.891883 | 5.732724 | 5.716867 | 5.57539 | 5.45091 | 5.493381 | 5.973975 | 4.838163 | 5.286263 | 5.276836 | 5.152273 | 5.689707 | 5.839294 | 4.990183 | 5.879704 | 5.229882 | 5.875243 | 4.904534 | 5.893479 | 5.968828 | 5.560114 | 5.811974 | 5.484279 | 5.704045 | 4.995584 | 5.488986 | 5.426275 | 5.942166 | 5.327619 | 5.764857 | 5.095088 | 5.497669 | 4.895798 | 4.900371 | 5.419442 | 5.741589 | 5.348352 | 5.905378 | 5.85206 | 4.86656 | 4.810645 | 5.064833 | 5.981934 | 5.63074 | 5.888565 | 5.183069 | 5.777725 | 5.459405 | 5.683019 | 5.170797 | 5.800331 | 5.017454 | 5.120541 | 4.998804 | 5.61876 | 6.036889 | 5.867061 | 5.935356 | 5.477157 | 5.120933 | 5.250918 | 5.668659 | 5.36131 | 5.500635 | 5.784248 | 5.703723 | 5.760163 | 5.753901 | 5.487821 | 5.880217 | 5.627465 | 5.627398 | 6.057094 | 5.854764 | 4.944937 | 5.525155 | [C][N][Branch1][C][C][C][/C][=C][/C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C@H1][C][C][O][C] | -0.795102 | Q92630 | P07333 | P22607 | 5.409966 | 6.495117 | 6.370934 |
CC(C)(C1=CC(=NO1)NC(=O)NC2=CC=CC(=C2)OC3=C4C=C(C(=CC4=NC=N3)OC)OC)C | 6.362407 | 5.97247 | 6.738952 | 6.394978 | 6.435662 | 6.290235 | 6.521733 | 6.559989 | 6.339044 | 6.595436 | 6.420976 | 6.204772 | 6.286874 | 6.380389 | 6.305796 | 6.391729 | 6.351668 | 6.345538 | 6.389007 | 6.317473 | 6.32071 | 6.396218 | 6.536659 | 6.456643 | 6.415323 | 6.444033 | 6.589191 | 6.367135 | 6.392129 | 6.364499 | 6.470788 | 6.441355 | 6.326708 | 6.245625 | 6.483719 | 6.603853 | 6.40894 | 6.435053 | 6.365676 | 6.269589 | 6.288167 | 6.411779 | 6.356878 | 6.913131 | 6.277112 | 6.400731 | 6.341864 | 6.402693 | 6.261247 | 6.42569 | 6.764409 | 6.910275 | 6.313841 | 6.534234 | 6.504627 | 6.441115 | 6.714601 | 6.392629 | 6.485439 | 6.417694 | 6.425938 | 6.357479 | 6.359091 | 6.461858 | 6.343302 | 6.721698 | 6.548283 | 6.368388 | 6.541422 | 6.447442 | 6.302345 | 6.273232 | 6.481099 | 6.663043 | 6.407847 | 6.308379 | 6.519781 | 6.619723 | 6.362842 | 6.388434 | 6.479725 | 5.880041 | 6.704161 | 6.61214 | 6.886726 | 6.72096 | 6.28707 | 6.28592 | 6.356863 | 6.404936 | 6.358922 | 6.365201 | 6.291901 | 6.334304 | 6.527951 | 6.428095 | 6.429346 | 6.289034 | 6.379138 | 6.172472 | 6.779159 | 6.415417 | 6.529407 | 6.365275 | 6.472713 | 6.363942 | 6.417572 | 6.274399 | 6.365705 | 6.320173 | 6.602201 | 6.536757 | 6.354963 | 6.51039 | 5.523067 | 6.31151 | 6.267595 | 6.167189 | 5.458322 | 6.604202 | 5.898022 | 6.259507 | 6.457354 | 6.468467 | 6.608218 | 6.327334 | 6.415617 | 6.401913 | 6.517075 | 6.525763 | 6.251348 | 6.333874 | 6.359017 | 6.386799 | 6.589723 | 6.607115 | 6.276265 | 6.472379 | 6.633006 | 6.330584 | 6.278034 | 6.288087 | 6.362365 | 6.502192 | 6.368223 | 6.334256 | 6.536098 | 6.486443 | 6.482073 | 6.388449 | 6.506745 | 6.31674 | 6.538594 | 6.347725 | 6.422094 | 6.334894 | 6.699001 | 6.596581 | 6.404525 | 6.2603 | 6.504501 | 6.274887 | 6.232343 | 5.669061 | 6.218867 | 6.379681 | 6.606531 | 6.332767 | 6.32544 | 6.47577 | 6.466667 | 6.443751 | 6.369209 | 6.269807 | 6.369328 | 6.293136 | 6.320563 | 6.328995 | 6.342596 | 6.445265 | 6.36551 | 6.575127 | 6.408479 | 6.545874 | 5.880022 | 6.240062 | 6.53444 | 6.507324 | 6.504908 | 6.362589 | 6.525654 | 6.433147 | 6.464793 | 6.365914 | 6.516134 | 6.415023 | 6.563922 | 6.426921 | 6.605794 | 6.384244 | 6.696779 | 6.318244 | 6.363029 | 6.343918 | 6.473762 | 6.35377 | 6.506925 | 6.295885 | 6.585267 | 6.331667 | 6.44449 | 6.535976 | 6.525156 | 6.489645 | 6.365733 | 6.382397 | 5.881508 | 6.313716 | 6.407655 | 6.4912 | 6.378858 | 6.211662 | 6.454484 | 6.336457 | 6.403833 | 6.470166 | 6.368061 | 6.402058 | 6.516311 | 6.248566 | 6.337284 | 6.554367 | 6.070956 | 7.025853 | 6.395104 | 6.548556 | 6.41871 | 6.411098 | 6.461777 | 6.756834 | 6.004552 | 6.272022 | 6.379821 | 6.581811 | 6.303724 | 6.49218 | 6.442885 | 6.568705 | 6.326289 | 6.686629 | 6.362425 | 6.526765 | 6.259035 | 6.299428 | 6.476457 | 6.353655 | 6.536108 | 6.517219 | 6.392273 | 6.504689 | 6.298402 | 6.555658 | 6.387386 | 6.453314 | 6.496574 | 6.489521 | 6.474973 | 6.545842 | 6.476827 | 6.620536 | 6.417973 | 6.558264 | 6.422145 | 6.605536 | 6.348126 | 6.308584 | 6.25648 | 6.401119 | 6.449244 | 6.465663 | 6.520038 | 6.300974 | 6.578089 | 6.544302 | 6.509387 | 6.316798 | 6.534438 | 6.336156 | 6.49283 | 6.405756 | 6.425758 | 6.667778 | 6.303926 | 6.42064 | 6.128994 | 6.502119 | 6.460232 | 6.299531 | 6.493947 | 6.279692 | 6.617987 | 6.377901 | 6.55388 | 6.319706 | 6.398465 | 6.493836 | 6.344274 | 6.370814 | 6.463986 | 6.498734 | 6.229133 | 6.563274 | 6.628972 | 6.335276 | 6.536525 | 6.299058 | 6.209199 | 6.362229 | 6.518858 | 6.582553 | 6.571386 | 6.514301 | 6.397175 | 6.459301 | 6.325838 | 6.526927 | 6.363486 | 6.374457 | 6.444647 | 6.341368 | 6.457141 | 6.39626 | 6.466466 | 6.645884 | 6.493102 | 6.540671 | 6.423596 | 6.560578 | 6.374184 | 6.445053 | 6.714207 | 6.366962 | 6.478682 | 6.381731 | 6.271798 | 6.227352 | 6.446674 | 6.427522 | 6.29603 | 6.514976 | 6.711329 | 6.468738 | 6.46987 | 6.476335 | 6.403059 | 6.505832 | 6.352612 | 6.717944 | 6.420463 | 6.332747 | 6.347038 | 6.403655 | 6.489947 | 6.323137 | 6.219511 | 6.437086 | 6.398774 | 6.219368 | 6.338079 | 6.683082 | 6.502436 | 6.477449 | 6.699038 | 6.412653 | 6.455178 | 6.341255 | 6.735242 | 6.513547 | 6.357676 | 6.528492 | 6.328868 | 6.353669 | 6.357806 | 6.319686 | 6.591012 | 6.414157 | 6.365099 | 6.564859 | 6.425488 | 6.419737 | 6.258313 | [C][C][Branch1][C][C][Branch2][Ring2][P][C][=C][C][=Branch1][Branch1][=N][O][Ring1][Branch1][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][=C][C][=C][Branch1][#C][C][=Branch1][#Branch2][=C][C][Ring1][=Branch1][=N][C][=N][Ring1][#Branch2][O][C][O][C][C] | -0.486836 | Q92630 | Q16288 | P04629 | 6.493947 | 7.025853 | 6.913131 |
CN1CCN(CC1)C2=CC=C(C=C2F)NC3=NC4=C(C=C[NH1]4)C(=N3)OC=CC=CC#C | 8.153024 | 8.142776 | 8.136225 | 8.095891 | 8.232505 | 8.191488 | 8.215689 | 8.182474 | 8.195474 | 8.31489 | 7.907878 | 8.114776 | 8.145097 | 8.163365 | 8.338862 | 8.028439 | 8.180082 | 7.925022 | 8.167443 | 8.112411 | 8.118415 | 7.753682 | 7.989927 | 8.418704 | 8.149858 | 8.305037 | 8.177822 | 8.092952 | 8.208589 | 8.133809 | 8.167893 | 8.190634 | 8.087925 | 8.278646 | 8.197965 | 8.1769 | 8.284151 | 8.193312 | 8.130848 | 8.329831 | 8.20429 | 8.309159 | 8.334835 | 8.343088 | 7.956384 | 7.941452 | 8.146702 | 8.202104 | 8.112923 | 8.09286 | 8.087979 | 8.158272 | 8.220808 | 8.268826 | 8.275269 | 8.109735 | 8.251228 | 8.303998 | 8.299779 | 8.078146 | 8.138896 | 8.242531 | 8.321961 | 7.930744 | 8.177155 | 8.273387 | 8.402601 | 8.157435 | 8.28709 | 8.284838 | 8.207607 | 8.277944 | 7.973336 | 7.934154 | 7.984639 | 8.311783 | 8.209396 | 8.23259 | 8.176605 | 8.056839 | 8.107871 | 8.164531 | 8.410902 | 8.353851 | 8.331615 | 8.353045 | 8.316378 | 8.29608 | 8.099241 | 8.097061 | 8.044152 | 8.133812 | 8.184142 | 8.143441 | 8.144638 | 8.263713 | 8.181187 | 8.241083 | 8.283247 | 8.248236 | 8.197127 | 8.309622 | 8.317878 | 8.33448 | 8.393299 | 8.101624 | 8.378895 | 8.043198 | 8.156772 | 8.126497 | 8.280428 | 8.218269 | 8.256308 | 8.048538 | 8.148939 | 8.129402 | 8.115236 | 8.14006 | 8.090343 | 8.23024 | 8.22566 | 8.118184 | 8.274924 | 8.124516 | 8.266613 | 8.31517 | 8.108749 | 8.104331 | 8.207306 | 8.277073 | 8.008427 | 7.792712 | 8.111533 | 8.182487 | 8.219288 | 8.164162 | 7.991497 | 8.021237 | 8.156395 | 8.131797 | 8.07197 | 8.036851 | 7.944871 | 7.943532 | 7.925037 | 8.270575 | 8.277086 | 8.25826 | 8.192313 | 8.285197 | 7.932039 | 8.149381 | 8.205643 | 8.132725 | 8.094112 | 7.895407 | 8.189413 | 8.216669 | 8.185683 | 7.841973 | 8.063262 | 8.320663 | 8.138503 | 8.265149 | 8.262169 | 8.208947 | 8.269482 | 8.268801 | 8.098003 | 8.210038 | 8.109011 | 7.955037 | 8.04597 | 8.086372 | 8.272859 | 8.044656 | 8.081598 | 8.140488 | 8.367025 | 8.193773 | 8.020079 | 8.27725 | 8.206841 | 8.171275 | 8.097555 | 8.106851 | 8.098289 | 8.315026 | 8.255064 | 8.193422 | 8.24155 | 8.121171 | 8.088119 | 8.389029 | 8.124912 | 8.044799 | 8.283364 | 7.953438 | 8.143776 | 8.169372 | 8.304422 | 8.199785 | 8.168556 | 7.947627 | 8.324906 | 7.895139 | 7.992901 | 7.999908 | 8.246321 | 8.01931 | 8.194854 | 8.092082 | 8.079176 | 8.097967 | 8.153537 | 8.267267 | 8.270192 | 8.179018 | 7.839733 | 8.303105 | 7.906147 | 8.203862 | 8.218808 | 8.227594 | 8.119477 | 8.259897 | 8.295286 | 8.259862 | 8.425802 | 8.183833 | 7.852056 | 8.213177 | 8.121602 | 8.453873 | 8.065386 | 8.181515 | 8.002008 | 8.00083 | 7.861769 | 8.277552 | 7.936918 | 8.040445 | 8.166677 | 8.097817 | 7.933956 | 8.165571 | 8.111094 | 8.217364 | 8.053164 | 8.302753 | 7.976315 | 8.261429 | 8.296594 | 8.221193 | 8.292706 | 8.044837 | 8.139405 | 8.202038 | 8.293923 | 8.077874 | 8.200313 | 8.259516 | 8.153452 | 8.129196 | 8.045089 | 8.231888 | 8.293156 | 8.215076 | 8.143 | 8.276062 | 8.038833 | 7.947864 | 7.968928 | 8.050923 | 8.23552 | 8.127745 | 8.071707 | 8.195633 | 8.25773 | 8.344668 | 8.180387 | 8.092988 | 8.10464 | 8.191107 | 7.923313 | 8.116076 | 8.136159 | 8.155965 | 8.178872 | 8.135589 | 8.173148 | 8.392683 | 8.175036 | 8.276807 | 8.048643 | 8.207214 | 8.025896 | 8.169531 | 7.871545 | 8.098428 | 8.218861 | 8.236401 | 8.307489 | 8.118818 | 8.086415 | 8.120865 | 8.129341 | 8.25247 | 8.093573 | 8.281137 | 8.228116 | 8.273297 | 8.393318 | 8.153031 | 8.305403 | 8.27072 | 8.073267 | 8.239234 | 8.134158 | 8.177708 | 8.244111 | 8.196408 | 7.998166 | 8.29979 | 7.92672 | 8.098927 | 8.039064 | 8.20159 | 8.213106 | 8.196362 | 8.128463 | 8.088887 | 8.178169 | 8.212177 | 8.043303 | 7.99206 | 8.127198 | 8.026272 | 8.055623 | 8.073883 | 8.304567 | 8.087384 | 8.203762 | 8.176913 | 8.176748 | 8.068555 | 8.094996 | 7.941428 | 8.188433 | 8.26615 | 8.433454 | 8.149226 | 8.258939 | 8.174386 | 8.193662 | 8.312511 | 8.017762 | 8.154357 | 8.159075 | 8.150978 | 8.137535 | 8.193367 | 8.168546 | 7.925207 | 7.92675 | 8.253246 | 8.435567 | 8.226875 | 8.059736 | 8.128799 | 8.306487 | 8.087395 | 8.148295 | 8.186671 | 8.079116 | 8.135932 | 8.245989 | 8.124 | 8.312319 | 8.245527 | 8.069287 | 8.066919 | 8.004684 | 7.977777 | 7.915882 | 8.384806 | 8.259413 | 8.309482 | 8.232546 | 8.097031 | 8.353699 | [C][N][C][C][N][Branch1][Branch1][C][C][Ring1][=Branch1][C][=C][C][=C][Branch1][=Branch1][C][=C][Ring1][=Branch1][F][N][C][=N][C][=C][Branch1][=Branch1][C][=C][NH1][Ring1][Branch1][C][=Branch1][Ring2][=N][Ring1][=Branch2][O][C][=C][C][=C][C][#C] | -0.524355 | Q92630 | Q16288 | Q9UF33 | 7.871545 | 8.453873 | 8.435567 |
C[C@@H1](C1=NC2=CC=C(C=C2C(=O)N1C3=CC=CC=C3)F)NC=CCN=C[NH1] | 7.162465 | 7.171306 | 7.586863 | 7.130243 | 7.491257 | 7.291958 | 7.446834 | 7.450436 | 7.209116 | 7.374421 | 7.302658 | 7.058408 | 7.133381 | 7.260317 | 7.236927 | 7.021346 | 7.277411 | 7.251092 | 7.14179 | 7.07116 | 7.208516 | 7.057353 | 7.271564 | 7.422204 | 7.043159 | 7.291148 | 7.399522 | 7.268462 | 7.366387 | 7.140002 | 7.379992 | 7.313465 | 7.153523 | 7.123402 | 7.41299 | 7.537956 | 7.355036 | 7.322998 | 7.207184 | 7.146223 | 7.266089 | 7.347604 | 7.378091 | 7.487395 | 6.98372 | 7.010785 | 7.307706 | 7.137121 | 7.093389 | 7.260119 | 7.34053 | 7.398464 | 7.216977 | 7.332665 | 7.211992 | 7.241079 | 7.374705 | 7.291322 | 7.441091 | 6.962713 | 7.212702 | 7.281676 | 7.2189 | 7.015907 | 7.221661 | 7.426431 | 7.425544 | 7.132129 | 7.362431 | 7.257618 | 7.138444 | 7.182911 | 6.988375 | 7.316778 | 7.121997 | 7.098949 | 7.179469 | 7.299904 | 7.182039 | 7.179808 | 7.173995 | 6.810267 | 7.396057 | 7.541379 | 7.42785 | 7.399568 | 7.141904 | 7.04592 | 7.208368 | 7.262784 | 7.159495 | 7.210216 | 7.339504 | 7.150794 | 7.451207 | 7.239568 | 7.143145 | 7.119647 | 7.178077 | 6.990008 | 7.549971 | 7.355823 | 7.347548 | 7.376063 | 7.439478 | 7.315695 | 7.422867 | 7.149915 | 7.184428 | 7.199954 | 7.2375 | 7.236653 | 7.379296 | 7.131335 | 7.081566 | 7.317966 | 7.241046 | 7.387601 | 6.655065 | 7.531903 | 7.291708 | 7.092921 | 7.294946 | 7.285162 | 7.511151 | 7.270089 | 7.217238 | 7.302329 | 7.270409 | 7.267739 | 6.894789 | 6.910495 | 7.095619 | 7.264018 | 7.309497 | 7.461071 | 7.118056 | 7.193641 | 7.466244 | 7.322846 | 7.140151 | 7.126496 | 7.163771 | 7.269909 | 6.938904 | 7.269938 | 7.410032 | 7.301083 | 7.342066 | 7.097679 | 7.012352 | 7.190993 | 7.386878 | 7.18067 | 7.331328 | 7.178796 | 7.416188 | 7.448023 | 7.119386 | 6.917116 | 7.228952 | 7.097446 | 7.034905 | 6.965739 | 6.944738 | 7.152917 | 7.451567 | 7.095314 | 7.211598 | 7.434134 | 7.362494 | 7.271453 | 7.162892 | 7.121712 | 7.328234 | 6.990598 | 7.107178 | 7.344079 | 7.328502 | 7.282835 | 7.233842 | 7.450367 | 7.310382 | 7.41134 | 7.262108 | 7.093283 | 7.285071 | 7.416066 | 7.419064 | 7.199287 | 7.49464 | 7.243222 | 7.352821 | 7.187862 | 7.412089 | 7.144381 | 7.425445 | 7.163804 | 7.322368 | 7.353863 | 7.427055 | 7.209758 | 7.392073 | 7.079293 | 7.384857 | 7.183518 | 7.319796 | 6.89665 | 7.410394 | 7.012715 | 7.25715 | 7.326555 | 7.232081 | 7.253646 | 7.158456 | 7.388497 | 7.198266 | 7.224693 | 7.049134 | 7.316988 | 7.251652 | 7.216582 | 7.346233 | 7.248713 | 7.256465 | 7.484681 | 7.325241 | 7.151972 | 7.434781 | 7.138054 | 7.030989 | 7.321099 | 7.064483 | 7.539877 | 7.070924 | 7.183921 | 7.095579 | 7.304387 | 7.264094 | 7.318041 | 6.891224 | 7.072777 | 7.349382 | 7.267613 | 6.951645 | 7.31996 | 7.258073 | 7.35515 | 7.225301 | 7.446884 | 7.229714 | 7.385137 | 7.223104 | 7.305738 | 7.348403 | 7.247108 | 7.182444 | 7.301279 | 7.108157 | 7.39998 | 7.194726 | 7.390605 | 7.27161 | 7.380616 | 7.500675 | 7.195654 | 7.397688 | 7.47672 | 7.393443 | 7.443665 | 7.168251 | 7.264685 | 7.325804 | 7.4086 | 7.08749 | 7.170923 | 6.878124 | 7.3606 | 7.45909 | 7.332036 | 7.504893 | 7.245874 | 7.428816 | 7.274557 | 7.21475 | 7.220245 | 7.463715 | 7.123061 | 7.303045 | 7.33531 | 7.359792 | 7.437735 | 7.290583 | 7.309963 | 7.126089 | 7.502246 | 7.43152 | 7.08606 | 7.239483 | 7.217072 | 7.412176 | 7.231525 | 7.472085 | 7.349533 | 7.317243 | 7.244492 | 7.20011 | 7.268086 | 7.120766 | 7.402148 | 7.159324 | 7.516259 | 7.481136 | 7.242164 | 7.388125 | 7.228376 | 7.023983 | 7.407389 | 7.296369 | 7.227641 | 7.407211 | 7.383442 | 7.092806 | 7.22426 | 7.120975 | 7.220384 | 7.127545 | 7.324008 | 7.335502 | 7.278556 | 7.301709 | 7.28817 | 7.206868 | 7.459783 | 7.427722 | 7.302053 | 7.269661 | 7.306781 | 7.150742 | 7.276685 | 7.35637 | 7.297884 | 7.233556 | 7.093752 | 7.303848 | 7.396387 | 7.296954 | 7.126252 | 7.388088 | 7.403298 | 7.551914 | 7.253829 | 7.442086 | 7.476402 | 7.213117 | 7.342156 | 7.135354 | 7.340431 | 7.351939 | 7.280851 | 7.190465 | 7.400119 | 7.196067 | 7.170099 | 6.889176 | 7.300305 | 7.256947 | 7.163176 | 7.270427 | 7.503908 | 7.411123 | 7.477098 | 7.523414 | 7.383341 | 7.122211 | 7.24777 | 7.540715 | 7.285266 | 7.403839 | 7.486227 | 7.210656 | 7.149334 | 7.137864 | 7.106103 | 7.364996 | 7.247441 | 7.297223 | 7.442408 | 7.454419 | 7.394775 | 7.216192 | [C][C@@H1][Branch2][Ring1][=C][C][=N][C][=C][C][=C][Branch2][Ring1][Ring2][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][F][N][C][=C][C][N][=C][NH1] | -0.33405 | Q92630 | O00311 | Q9NRP7 | 7.239483 | 7.586863 | 7.551914 |
CN1CCN(CC1)C2=CC=C(C=C2F)NC=NC3=C(C=C[NH1]3)C | 6.346173 | 6.458358 | 7.196984 | 6.413999 | 6.854712 | 6.550505 | 6.688579 | 6.57496 | 6.605865 | 6.430384 | 6.456899 | 6.463745 | 6.494582 | 6.584693 | 6.319653 | 6.342588 | 6.481162 | 6.671405 | 6.348794 | 6.388945 | 6.495958 | 6.409513 | 6.502026 | 6.574836 | 6.285475 | 6.460551 | 6.619811 | 6.473516 | 6.58568 | 6.455569 | 6.687012 | 6.443889 | 6.474806 | 6.433476 | 6.598693 | 6.732442 | 6.626722 | 6.464163 | 6.460129 | 6.397662 | 6.667715 | 6.483765 | 6.739073 | 6.978489 | 6.21049 | 6.302201 | 6.338315 | 6.343848 | 6.259221 | 6.47017 | 6.532325 | 6.837524 | 6.353292 | 6.488396 | 6.545979 | 6.385739 | 6.555307 | 6.444932 | 6.69606 | 6.316443 | 6.328628 | 6.555908 | 6.346063 | 6.457868 | 6.487432 | 6.61938 | 6.62213 | 6.304918 | 6.433663 | 6.402702 | 6.50916 | 6.476689 | 6.507443 | 6.425291 | 6.297001 | 6.26228 | 6.378382 | 6.594312 | 6.682254 | 6.534 | 6.40525 | 6.2671 | 6.621658 | 6.877257 | 6.484308 | 6.695641 | 6.24212 | 6.240602 | 6.490212 | 6.34121 | 6.430986 | 6.484959 | 6.445593 | 6.44999 | 6.498796 | 6.472756 | 6.41515 | 6.327477 | 6.389377 | 6.29226 | 6.811793 | 6.71797 | 6.549081 | 6.416869 | 6.542919 | 6.532513 | 6.659844 | 6.467443 | 6.544706 | 6.504921 | 6.433713 | 6.397758 | 6.466684 | 6.573415 | 6.488171 | 6.651928 | 6.501196 | 6.538434 | 6.227868 | 6.802495 | 6.429301 | 6.287057 | 6.674595 | 6.486555 | 6.749793 | 6.51778 | 6.320531 | 6.401546 | 6.558779 | 6.648753 | 6.361776 | 6.325664 | 6.465158 | 6.684411 | 6.420295 | 6.784522 | 6.430212 | 6.528479 | 6.754324 | 6.533854 | 6.281566 | 6.176353 | 6.388785 | 6.573367 | 6.346172 | 6.476406 | 6.480697 | 6.603947 | 6.651672 | 6.396307 | 6.322593 | 6.611046 | 6.562516 | 6.567727 | 6.405665 | 6.555538 | 6.536769 | 6.583052 | 6.430021 | 6.323092 | 6.454116 | 6.370969 | 6.277474 | 6.290921 | 6.265177 | 6.298753 | 6.776798 | 6.375398 | 6.707156 | 6.802208 | 6.411016 | 6.454941 | 6.45401 | 6.390645 | 6.573745 | 6.472044 | 6.389094 | 6.379209 | 6.409857 | 6.647204 | 6.482696 | 6.434301 | 6.542285 | 6.612403 | 6.524681 | 6.227963 | 6.356248 | 6.743465 | 6.464388 | 6.374438 | 6.728611 | 6.499679 | 6.788515 | 6.552848 | 6.645069 | 6.493714 | 6.610798 | 6.603727 | 6.605283 | 6.550058 | 6.484314 | 6.53366 | 6.585306 | 6.51495 | 6.476469 | 6.537902 | 6.287056 | 6.167487 | 6.602327 | 6.418051 | 6.661342 | 6.491684 | 6.503407 | 6.535855 | 6.684963 | 6.611349 | 6.557102 | 6.527932 | 6.452644 | 6.601502 | 6.394203 | 6.720392 | 6.576612 | 6.466697 | 6.447006 | 6.807152 | 6.881272 | 6.259861 | 6.795912 | 6.492803 | 6.275244 | 6.519427 | 6.402306 | 6.817357 | 6.223144 | 6.263535 | 6.313358 | 6.37499 | 6.457379 | 6.518771 | 6.163887 | 6.43214 | 6.453331 | 6.472044 | 6.233852 | 6.567874 | 6.582038 | 6.613472 | 6.417652 | 6.866099 | 6.472827 | 6.632527 | 6.573215 | 6.662823 | 6.526818 | 6.428571 | 6.573919 | 6.364708 | 6.350296 | 6.462014 | 6.435388 | 6.607224 | 6.493081 | 6.419583 | 6.578964 | 6.438138 | 6.606931 | 6.649967 | 6.617198 | 6.703641 | 6.29525 | 6.650574 | 6.401979 | 6.62428 | 6.175443 | 6.568752 | 6.289492 | 6.510921 | 6.755405 | 6.500353 | 6.58583 | 6.558476 | 6.534938 | 6.452053 | 6.481189 | 6.712089 | 6.754469 | 6.424323 | 6.700871 | 6.451873 | 6.43789 | 6.681914 | 6.567587 | 6.663452 | 6.38093 | 6.597695 | 6.770272 | 6.407519 | 6.57374 | 6.499803 | 6.894542 | 6.369944 | 6.634651 | 6.655541 | 6.509825 | 6.318954 | 6.402049 | 6.427271 | 6.504306 | 6.550936 | 6.511612 | 6.759683 | 6.65941 | 6.671968 | 6.688742 | 6.58616 | 6.444174 | 6.59969 | 6.837826 | 6.467062 | 6.496556 | 6.888664 | 6.355189 | 6.462246 | 6.435851 | 6.355376 | 6.497231 | 6.550535 | 6.437186 | 6.617854 | 6.480971 | 6.55612 | 6.291463 | 6.635733 | 6.671071 | 6.737102 | 6.63948 | 6.74116 | 6.497304 | 6.455798 | 6.467674 | 6.646922 | 6.684111 | 6.314636 | 6.583444 | 6.528729 | 6.618138 | 6.387452 | 6.653159 | 6.659006 | 6.570597 | 6.477795 | 6.67666 | 6.629585 | 6.301508 | 6.507826 | 6.430399 | 6.531475 | 6.381056 | 6.846365 | 6.490695 | 6.856759 | 6.452854 | 6.512161 | 6.268822 | 6.49413 | 6.388278 | 6.642486 | 6.600361 | 6.83738 | 6.596259 | 6.685002 | 6.908672 | 6.723476 | 6.364224 | 6.488512 | 6.673744 | 6.606024 | 6.465268 | 6.828785 | 6.443096 | 6.595162 | 6.54073 | 6.645834 | 6.571136 | 6.499237 | 6.575087 | 6.642545 | 6.797457 | 6.436814 | 6.424461 | [C][N][C][C][N][Branch1][Branch1][C][C][Ring1][=Branch1][C][=C][C][=C][Branch1][=Branch1][C][=C][Ring1][=Branch1][F][N][C][=N][C][=C][Branch1][=Branch1][C][=C][NH1][Ring1][Branch1][C] | -0.553383 | Q92630 | O00311 | P04629 | 6.57374 | 7.196984 | 6.978489 |
CC1=CC=CC=C1N2C(=C(C=N2)C(=O)C3=CC=CC(=C3)C#N)N | 6.106255 | 6.06154 | 6.292972 | 6.060861 | 6.276922 | 6.094837 | 6.271741 | 6.179179 | 6.117528 | 6.183065 | 6.162933 | 6.132067 | 5.722846 | 6.095131 | 6.058608 | 6.1251 | 6.13475 | 6.220164 | 6.082049 | 6.045657 | 6.152822 | 6.14467 | 6.141599 | 6.121537 | 6.080839 | 6.091159 | 6.155543 | 6.086215 | 6.182316 | 6.026023 | 6.131031 | 6.097131 | 6.116099 | 6.113261 | 6.174366 | 6.266212 | 6.218482 | 6.118786 | 6.076144 | 6.128636 | 6.083702 | 6.207007 | 6.175025 | 6.237987 | 5.732797 | 6.097919 | 6.270401 | 6.088202 | 5.988167 | 6.133231 | 6.190703 | 6.351937 | 6.046834 | 6.126156 | 6.127346 | 6.292686 | 6.230413 | 6.18975 | 6.348818 | 6.062172 | 6.015347 | 6.152781 | 6.12576 | 6.091182 | 6.118621 | 6.280005 | 6.164167 | 6.057154 | 6.322077 | 6.126164 | 6.072359 | 6.138801 | 6.023387 | 6.113082 | 6.164415 | 6.06973 | 6.142352 | 6.16147 | 6.156528 | 6.141631 | 6.093582 | 6.078403 | 6.311326 | 6.313053 | 6.348768 | 6.29385 | 6.052202 | 6.09242 | 6.17251 | 6.149037 | 6.149012 | 6.173832 | 6.229529 | 6.134257 | 6.095208 | 6.155993 | 5.858658 | 6.028345 | 6.067587 | 6.036168 | 6.390401 | 6.136252 | 6.098763 | 6.145238 | 6.251042 | 6.168132 | 6.190523 | 6.104869 | 6.138669 | 6.165127 | 6.101655 | 6.148425 | 6.26015 | 6.218591 | 5.939127 | 6.134425 | 6.096815 | 6.180004 | 6.065406 | 6.385937 | 6.174685 | 6.02514 | 6.137795 | 6.08493 | 6.30678 | 6.134629 | 6.096655 | 6.214352 | 6.097453 | 6.11168 | 6.130234 | 6.138992 | 6.088511 | 6.157375 | 6.244037 | 6.223467 | 6.169733 | 6.23057 | 6.262861 | 6.198349 | 6.116135 | 6.130397 | 6.169983 | 6.158958 | 6.062905 | 6.147682 | 6.127728 | 6.116697 | 6.101191 | 6.144937 | 5.962884 | 6.19032 | 6.139225 | 6.153852 | 6.189135 | 6.178586 | 6.251096 | 6.311195 | 6.115559 | 6.076138 | 6.142447 | 6.06082 | 5.873905 | 5.998712 | 5.930915 | 5.993379 | 6.180552 | 6.027286 | 6.198974 | 6.232683 | 6.345314 | 6.267282 | 6.118678 | 6.134081 | 6.112034 | 6.135569 | 6.073903 | 6.100853 | 6.184241 | 6.208763 | 6.171006 | 6.17591 | 6.162215 | 6.250956 | 6.048837 | 6.038512 | 6.140635 | 6.218677 | 6.187128 | 6.07302 | 6.252731 | 6.129644 | 6.233951 | 6.183274 | 6.155914 | 6.091805 | 6.180527 | 6.086137 | 6.162549 | 6.160017 | 6.242495 | 6.112498 | 6.172426 | 6.043164 | 6.204434 | 6.20444 | 6.209229 | 6.116675 | 6.154994 | 6.116491 | 6.140832 | 6.161724 | 6.132295 | 6.142816 | 6.135657 | 6.234977 | 6.183379 | 6.144475 | 6.228013 | 6.22103 | 6.147162 | 6.116287 | 6.113816 | 6.052502 | 6.079052 | 6.186462 | 6.122448 | 5.994225 | 6.154598 | 6.029102 | 6.116212 | 6.11476 | 6.094499 | 6.202763 | 6.001742 | 6.064109 | 6.134938 | 6.152017 | 6.253642 | 6.191247 | 6.098644 | 6.065254 | 6.131373 | 6.179166 | 5.649646 | 6.135899 | 6.157567 | 6.18973 | 6.216946 | 6.393244 | 6.237804 | 6.149948 | 6.207994 | 6.207184 | 6.149195 | 6.12878 | 6.143864 | 6.080417 | 6.098284 | 6.130871 | 6.08989 | 6.120559 | 6.146577 | 6.047754 | 6.201677 | 6.047753 | 6.187038 | 6.284188 | 6.189359 | 6.151715 | 5.969968 | 6.210126 | 6.194086 | 6.231581 | 5.999499 | 6.160452 | 6.016172 | 6.094924 | 6.273716 | 6.08065 | 6.157184 | 6.17733 | 6.208139 | 6.197093 | 6.190578 | 6.19901 | 6.249634 | 6.109189 | 6.136031 | 6.171783 | 6.077858 | 6.172554 | 6.270166 | 6.190256 | 6.097738 | 6.315366 | 6.230712 | 6.059745 | 6.13794 | 6.134702 | 6.180317 | 6.076701 | 6.168514 | 6.249763 | 6.038466 | 6.057154 | 6.051912 | 6.061785 | 6.134135 | 6.209029 | 6.094883 | 6.195935 | 6.272672 | 6.195082 | 6.169815 | 6.19783 | 6.044669 | 6.137766 | 6.263185 | 6.070777 | 6.230166 | 6.166117 | 6.203278 | 6.102496 | 6.02318 | 6.11378 | 6.174166 | 6.257641 | 6.098677 | 6.188908 | 6.078978 | 6.051732 | 6.045331 | 6.143238 | 6.211594 | 6.194535 | 6.110623 | 6.194068 | 6.194543 | 6.152819 | 6.065833 | 6.214639 | 6.1931 | 6.093974 | 6.246971 | 6.384273 | 6.142128 | 6.202137 | 6.250169 | 6.167118 | 6.20486 | 6.145566 | 6.233086 | 6.261479 | 6.140518 | 6.178055 | 6.095523 | 6.246495 | 6.051538 | 6.169558 | 6.043362 | 6.187616 | 6.139348 | 6.158109 | 6.041015 | 6.106497 | 6.104053 | 6.084641 | 6.187887 | 6.283734 | 6.184947 | 6.201424 | 6.318547 | 6.219648 | 6.081319 | 6.177288 | 6.197611 | 6.17453 | 6.113011 | 6.212188 | 6.040678 | 6.173775 | 6.10811 | 6.131781 | 6.210583 | 6.091327 | 6.236835 | 6.205132 | 6.24638 | 6.402468 | 6.100559 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch2][Ring1][Branch2][=C][Branch1][Branch1][C][=N][Ring1][Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][#N][N] | -0.258525 | Q92630 | Q9Y6M4 | Q5S007 | 6.13794 | 6.402468 | 6.393244 |
CN(C)C/C=C/C(=O)NC1=CC2=C(C=C1O[C@H1]3CCOC3)N=CN=C2NC4=CC=CC(=C4)Cl | 7.869372 | 7.947626 | 8.24539 | 7.883811 | 8.111478 | 7.965808 | 7.926312 | 8.053544 | 8.02255 | 7.973137 | 7.792156 | 8.080004 | 7.816396 | 8.000489 | 7.86264 | 7.557585 | 8.000302 | 7.826609 | 7.817834 | 7.715205 | 7.916739 | 7.838422 | 7.98183 | 8.022129 | 7.854868 | 7.939291 | 8.070368 | 7.936767 | 7.870904 | 7.846871 | 7.974022 | 7.913806 | 7.724844 | 7.872767 | 7.98435 | 8.005665 | 8.188368 | 7.908701 | 8.061098 | 7.933658 | 8.052673 | 8.042056 | 8.17607 | 8.144077 | 7.528254 | 7.747829 | 8.091508 | 7.918856 | 7.952562 | 7.675312 | 8.035582 | 7.989173 | 7.966526 | 7.974847 | 7.960638 | 8.168144 | 8.136981 | 8.056806 | 8.14276 | 7.620196 | 7.964417 | 8.127178 | 7.980348 | 7.614852 | 7.972574 | 8.134495 | 8.136498 | 8.144295 | 8.261966 | 8.031719 | 8.141134 | 8.10602 | 7.662183 | 7.991643 | 7.840868 | 7.766604 | 7.82155 | 8.087025 | 7.999441 | 7.868505 | 7.934883 | 7.840531 | 8.132452 | 8.099312 | 8.104926 | 8.176336 | 7.81451 | 7.696532 | 7.885735 | 7.950628 | 7.614285 | 7.951493 | 7.995819 | 7.676733 | 7.993662 | 7.77149 | 8.020368 | 7.939386 | 7.970879 | 7.868712 | 8.181894 | 8.14805 | 7.928243 | 7.949599 | 8.181162 | 7.877167 | 8.134728 | 7.907846 | 8.028053 | 7.929298 | 7.911223 | 7.851995 | 8.27654 | 7.766619 | 7.801662 | 7.945364 | 7.896904 | 8.114511 | 7.601788 | 8.25089 | 8.117842 | 7.918272 | 8.144341 | 7.902367 | 8.164804 | 7.973179 | 7.904638 | 7.967922 | 7.957037 | 7.791972 | 7.783812 | 7.404174 | 7.957373 | 7.89846 | 7.848469 | 8.120581 | 8.015932 | 7.931541 | 8.158369 | 7.910975 | 7.787498 | 7.736494 | 7.920201 | 7.929381 | 7.682969 | 7.870764 | 8.014153 | 7.877559 | 8.158178 | 7.98158 | 7.828383 | 8.17331 | 7.904786 | 7.88713 | 8.025811 | 7.806856 | 7.916119 | 7.981011 | 7.677221 | 7.658013 | 8.056072 | 7.897613 | 7.81847 | 7.84176 | 7.898112 | 7.869159 | 8.004433 | 7.857243 | 8.015534 | 7.943692 | 7.942067 | 7.977725 | 7.712935 | 7.846733 | 7.973404 | 7.455526 | 7.58 | 7.935169 | 8.221617 | 8.189209 | 7.981557 | 8.194323 | 7.902181 | 8.020817 | 8.005639 | 7.975199 | 7.923573 | 8.126431 | 8.098407 | 7.746833 | 7.999955 | 8.031004 | 7.924415 | 8.067747 | 7.909534 | 7.871681 | 7.981144 | 7.781617 | 8.162312 | 7.86121 | 8.156082 | 7.838568 | 7.820002 | 7.720066 | 7.97869 | 7.845877 | 8.028722 | 7.670333 | 7.918959 | 7.674662 | 7.869369 | 7.933209 | 7.90237 | 7.91298 | 7.970471 | 8.062308 | 8.065686 | 7.868196 | 7.798955 | 8.068789 | 8.029295 | 8.031332 | 8.035484 | 8.06301 | 7.873784 | 8.102779 | 8.06743 | 7.935833 | 8.034106 | 8.157387 | 7.512481 | 7.926142 | 8.079193 | 8.161074 | 7.893933 | 7.933119 | 7.731245 | 7.828037 | 7.975065 | 7.923214 | 7.71765 | 7.80649 | 7.972251 | 8.070796 | 7.908566 | 7.939593 | 7.734046 | 8.16856 | 7.93867 | 8.030335 | 7.932133 | 8.137751 | 8.095571 | 8.116564 | 8.101835 | 8.012362 | 8.177842 | 7.979417 | 7.83703 | 7.930566 | 7.951945 | 7.899178 | 7.992833 | 7.977803 | 7.9786 | 8.012544 | 7.936169 | 8.020968 | 7.974164 | 8.17333 | 8.0832 | 7.96841 | 7.996067 | 7.912004 | 7.850758 | 7.999785 | 7.620276 | 8.038575 | 8.048621 | 7.966612 | 8.023283 | 8.049937 | 7.994036 | 7.789596 | 7.81413 | 8.019852 | 7.96959 | 7.88261 | 8.114668 | 8.048296 | 8.007744 | 7.995749 | 8.142122 | 8.008498 | 7.716526 | 8.064049 | 7.912627 | 7.966453 | 7.885657 | 7.759199 | 8.097834 | 7.972949 | 8.139057 | 8.080083 | 8.034883 | 7.918031 | 7.847474 | 7.941757 | 8.162524 | 8.116724 | 8.10043 | 8.182574 | 8.074525 | 7.805532 | 7.938755 | 8.055584 | 8.04061 | 8.103827 | 7.847014 | 8.008582 | 8.061617 | 8.081829 | 7.882629 | 8.104033 | 7.6579 | 8.00276 | 7.698817 | 7.988376 | 7.912581 | 8.110848 | 8.100927 | 7.988079 | 7.968916 | 7.923065 | 7.883358 | 7.967053 | 7.806916 | 7.981242 | 7.726417 | 8.014828 | 7.933686 | 7.865366 | 8.186004 | 7.858089 | 8.152332 | 8.086145 | 7.815546 | 7.748344 | 8.180194 | 8.127594 | 8.18441 | 8.136858 | 8.089962 | 8.057897 | 7.837447 | 7.985541 | 8.067158 | 8.047681 | 7.950678 | 7.889474 | 7.816287 | 8.039816 | 7.881778 | 7.868446 | 7.827928 | 7.913203 | 8.027725 | 7.987481 | 7.936294 | 8.03171 | 7.937837 | 7.985983 | 8.09536 | 7.851955 | 7.746443 | 7.919712 | 8.132142 | 7.931223 | 7.929371 | 8.0962 | 7.950844 | 7.754178 | 7.692478 | 7.797062 | 7.880498 | 7.97439 | 8.043884 | 7.979474 | 8.073416 | 8.00873 | 7.982873 | [C][N][Branch1][C][C][C][/C][=C][/C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=N][C][=C][Ring1][=Branch1][O][C@H1][C][C][O][C][Ring1][Branch1][N][=C][N][=C][Ring1][=C][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][Cl] | -0.372121 | Q92630 | P36507 | P14616 | 7.885657 | 8.27654 | 8.261966 |
CC(C)C1=CC=CC(=N1)NC2=C(C=NC(=N2)NC3=CC=C(C=C3)N4CCN(CC4)C)C | 7.680293 | 7.765939 | 8.041174 | 7.791668 | 7.823987 | 7.799898 | 7.69885 | 7.882448 | 7.788745 | 7.734061 | 7.498459 | 7.741124 | 7.489138 | 7.944093 | 7.874307 | 7.6951 | 7.862657 | 7.597497 | 7.776788 | 7.728662 | 7.914181 | 7.29848 | 7.532278 | 8.07409 | 7.631239 | 7.884861 | 7.73575 | 7.74955 | 7.772241 | 7.819303 | 7.897452 | 7.978247 | 7.856857 | 7.868103 | 7.630139 | 7.749675 | 7.947052 | 7.723193 | 7.797625 | 7.606066 | 8.013276 | 7.997306 | 7.985614 | 8.027936 | 7.400092 | 7.332206 | 7.599602 | 7.615145 | 7.609138 | 7.762354 | 7.599425 | 7.791716 | 7.778487 | 7.731318 | 7.733634 | 7.488186 | 8.094086 | 7.827981 | 7.91281 | 7.724211 | 7.605361 | 7.854315 | 8.045851 | 7.615433 | 7.897729 | 7.776206 | 8.093084 | 7.671268 | 7.920262 | 8.158268 | 7.889306 | 7.906916 | 7.587202 | 7.543801 | 7.58672 | 7.980914 | 7.77948 | 7.828765 | 7.866635 | 7.7879 | 7.833387 | 7.759767 | 7.985687 | 7.916162 | 7.897775 | 7.885218 | 8.014442 | 7.90436 | 7.883438 | 7.720309 | 7.768751 | 7.906411 | 7.747267 | 7.780537 | 7.751498 | 7.857577 | 7.767434 | 7.892517 | 7.701154 | 7.828201 | 7.860034 | 7.883484 | 7.957877 | 7.891875 | 7.903019 | 7.840734 | 8.114052 | 7.762223 | 7.771667 | 7.925194 | 7.762692 | 7.746973 | 7.718334 | 7.881388 | 7.659403 | 7.729268 | 7.653368 | 7.8279 | 7.68556 | 7.912229 | 7.748862 | 7.87641 | 7.903261 | 7.672154 | 7.867171 | 7.783312 | 7.731978 | 7.860179 | 7.915371 | 7.957206 | 7.796791 | 7.694838 | 7.576353 | 7.867501 | 7.93911 | 7.74103 | 7.654633 | 7.925716 | 7.765859 | 7.83861 | 7.685712 | 7.579165 | 7.80402 | 7.741721 | 7.642084 | 7.887923 | 7.810045 | 7.991008 | 7.939305 | 7.823161 | 7.550839 | 7.774975 | 7.982087 | 7.890167 | 7.471725 | 7.45811 | 7.811297 | 7.92221 | 7.752 | 7.638064 | 7.791767 | 7.751535 | 7.689407 | 7.63058 | 7.801469 | 7.817549 | 7.852937 | 7.791471 | 7.882484 | 7.966599 | 7.699883 | 7.745531 | 7.778842 | 7.823092 | 7.850901 | 7.634731 | 7.809909 | 7.783495 | 7.795576 | 7.845665 | 7.795462 | 7.958789 | 7.844142 | 7.842141 | 7.689508 | 7.836007 | 7.574478 | 7.983035 | 7.97521 | 7.864711 | 7.936763 | 7.718817 | 7.677384 | 7.890063 | 7.811931 | 7.64699 | 7.873822 | 7.550309 | 7.779624 | 7.805988 | 7.799357 | 7.79694 | 7.760126 | 7.532295 | 7.81144 | 7.508903 | 7.382668 | 7.373919 | 7.855359 | 7.678499 | 8.035191 | 7.766176 | 7.751664 | 7.787056 | 7.808464 | 7.715331 | 7.790678 | 7.737527 | 7.24679 | 8.000352 | 7.355935 | 7.831932 | 7.857555 | 8.063001 | 7.856621 | 8.074644 | 7.844863 | 7.867493 | 8.061918 | 7.833671 | 7.599325 | 7.814488 | 7.857795 | 8.152063 | 7.462614 | 7.836421 | 7.630957 | 7.810218 | 7.640673 | 7.998705 | 7.462804 | 7.600243 | 7.896806 | 7.635268 | 7.301148 | 7.727256 | 7.836238 | 7.811315 | 7.714577 | 7.920744 | 7.820721 | 7.823833 | 7.716335 | 7.775331 | 7.777348 | 7.490238 | 7.723585 | 8.102487 | 7.881827 | 7.580196 | 7.804107 | 7.845833 | 7.89388 | 7.806451 | 7.696288 | 7.763731 | 7.925805 | 7.868297 | 7.903595 | 7.968394 | 7.414645 | 7.775841 | 7.223262 | 7.568298 | 7.758746 | 7.748286 | 7.704367 | 7.811224 | 7.849209 | 8.155746 | 7.843741 | 7.640449 | 7.653286 | 7.909524 | 7.713867 | 7.916615 | 7.849051 | 7.833318 | 7.840641 | 7.809288 | 7.812514 | 8.053757 | 7.805543 | 7.914518 | 7.718606 | 7.925548 | 7.641301 | 7.881339 | 7.48552 | 7.921657 | 7.988015 | 7.863774 | 7.941798 | 8.04421 | 7.812438 | 7.604132 | 7.673522 | 7.995081 | 7.592698 | 7.940998 | 7.711262 | 8.002305 | 8.087635 | 7.919448 | 7.881917 | 7.840438 | 7.680139 | 7.966906 | 7.810343 | 7.75646 | 8.014099 | 8.019534 | 7.864338 | 8.033643 | 7.524847 | 7.633634 | 7.722736 | 7.699718 | 7.909013 | 8.010694 | 7.773698 | 7.803057 | 7.475742 | 7.923143 | 7.717665 | 7.785543 | 7.70452 | 7.764128 | 7.751711 | 7.692668 | 7.870803 | 7.784093 | 8.040384 | 7.72653 | 7.874487 | 7.712517 | 7.623471 | 7.565267 | 7.758893 | 7.900778 | 8.12528 | 7.877044 | 7.858061 | 7.833039 | 7.849488 | 7.991243 | 7.76579 | 7.726053 | 7.771973 | 7.83867 | 7.694785 | 7.830386 | 7.752052 | 7.603456 | 7.680144 | 7.662616 | 7.995961 | 7.934586 | 7.542936 | 7.746011 | 7.916712 | 7.808567 | 7.840043 | 7.884426 | 7.791918 | 7.847214 | 7.874474 | 7.811488 | 7.962076 | 8.051521 | 7.860809 | 7.763149 | 7.635759 | 7.65734 | 7.571364 | 7.996602 | 7.76803 | 7.848598 | 7.782108 | 7.725829 | 7.79565 | [C][C][Branch1][C][C][C][=C][C][=C][C][=Branch1][Ring2][=N][Ring1][=Branch1][N][C][=C][Branch2][Ring1][#C][C][=N][C][=Branch1][Ring2][=N][Ring1][=Branch1][N][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][N][C][C][N][Branch1][Branch1][C][C][Ring1][=Branch1][C][C] | -0.586784 | Q92630 | P15056 | Q8IYT8 | 7.48552 | 8.158268 | 8.155746 |
CC(C)C1=CC=CC(=N1)NC2=CC=NC(=N2)NC=CC | 7.011658 | 7.090109 | 7.874241 | 6.87561 | 7.035603 | 6.577541 | 6.896405 | 6.97718 | 7.565191 | 6.538854 | 6.679183 | 7.513626 | 6.60832 | 7.414177 | 7.25335 | 5.833212 | 7.282456 | 7.027395 | 6.215949 | 6.776368 | 7.10619 | 6.815417 | 6.999269 | 7.431781 | 6.85359 | 6.373954 | 7.424529 | 7.189428 | 6.330806 | 7.171418 | 7.088474 | 7.29048 | 7.515917 | 7.025993 | 6.754188 | 7.015561 | 7.320664 | 5.943692 | 7.334663 | 6.141914 | 7.525946 | 7.027506 | 7.532932 | 7.645136 | 5.62741 | 6.221249 | 6.877846 | 7.230817 | 6.234731 | 6.981833 | 6.888213 | 7.36216 | 7.073563 | 6.79403 | 7.005509 | 5.981336 | 7.629006 | 6.378883 | 7.524336 | 6.91974 | 7.013884 | 7.696572 | 6.72605 | 7.028585 | 7.390747 | 7.369649 | 7.228938 | 7.104122 | 7.1057 | 7.244336 | 7.836246 | 7.342935 | 7.061046 | 7.017172 | 5.857029 | 7.303526 | 7.425504 | 7.506421 | 7.853191 | 7.28718 | 7.5336 | 6.307221 | 7.32429 | 7.283301 | 7.111845 | 7 | 7.230361 | 7.193798 | 7.163301 | 6.900625 | 7.152696 | 7.403008 | 6.581763 | 7.082653 | 6.681173 | 7.1518 | 6.451258 | 6.555881 | 5.775048 | 6.47817 | 7.384543 | 7.680212 | 7.006821 | 5.595685 | 6.7949 | 7.262069 | 6.686886 | 7.457475 | 7.138342 | 7.472202 | 7.235306 | 7.086335 | 6.967259 | 7.441225 | 5.93132 | 7.034202 | 6.475196 | 7.31038 | 6.114763 | 7.536742 | 6.930024 | 7.432578 | 7.673391 | 6.66474 | 7.248576 | 7.100132 | 6.73372 | 7.372276 | 7.328273 | 7.352725 | 7.154465 | 6.918044 | 7.102284 | 7.229176 | 6.727884 | 7.482198 | 7.3521 | 7.859292 | 7.368887 | 7.678657 | 7.178906 | 6.996334 | 7.438298 | 7.312855 | 6.795405 | 7.32043 | 6.766236 | 7.601801 | 7.171592 | 6.962461 | 7.146808 | 7.595859 | 7.406818 | 7.22891 | 5.78687 | 6.87889 | 6.88488 | 7.188747 | 6.032884 | 6.514755 | 6.961957 | 6.191251 | 6.146518 | 5.468986 | 6.129062 | 6.423646 | 7.28153 | 6.154766 | 7.793693 | 7.452197 | 6.765382 | 7.142653 | 7.253735 | 7.227164 | 7.301375 | 7.17058 | 7.213862 | 7.095538 | 6.677174 | 7.323327 | 7.58431 | 7.475231 | 7.121717 | 7.521873 | 6.121788 | 7.290417 | 6.643217 | 7.443622 | 7.483276 | 7.244221 | 7.432956 | 7.160094 | 6.61847 | 6.765207 | 6.479237 | 7.200813 | 7.246432 | 7.097713 | 7.177839 | 6.081882 | 7.085337 | 7.597364 | 5.862909 | 6.989732 | 6.024702 | 7.024787 | 6.43382 | 6.534278 | 7.233586 | 7.374293 | 7.468494 | 6.610896 | 6.633893 | 6.998957 | 7.74829 | 6.959259 | 7.083324 | 7.288246 | 6.570662 | 7.619144 | 6.734186 | 7.171032 | 7.203647 | 7.584899 | 7.032594 | 7.4041 | 7.428801 | 6.360967 | 7.47404 | 6.949641 | 6.346444 | 6.971489 | 7.418483 | 7.492994 | 5.80046 | 6.836317 | 6.375806 | 7.202271 | 6.981183 | 6.872479 | 7.079023 | 7.202817 | 7.484718 | 7.207266 | 6.219699 | 6.95074 | 7.057105 | 7.353014 | 7.151304 | 7.507016 | 7.288615 | 7.382552 | 5.68377 | 7.027322 | 7.188262 | 7.020321 | 7.610371 | 7.304599 | 7.052135 | 6.775361 | 6.973497 | 7.332705 | 7.62139 | 6.717823 | 7.101195 | 7.167335 | 7.404353 | 7.106943 | 7.224771 | 7.656847 | 5.705913 | 7.566991 | 5.968137 | 6.50924 | 6.83467 | 6.826834 | 7.101905 | 6.815821 | 7.53196 | 7.250802 | 6.835272 | 7.182986 | 6.926096 | 6.967859 | 7.412514 | 7.791415 | 7.117314 | 7.530187 | 7.44379 | 7.299587 | 6.878875 | 7.354767 | 7.607333 | 7.417672 | 6.870986 | 7.238543 | 6.987513 | 7.327575 | 7.187854 | 7.085988 | 7.517748 | 7.242695 | 7.269984 | 7.682258 | 7.14003 | 6.123183 | 5.654989 | 7.215472 | 7.50847 | 7.254351 | 7.472873 | 7.544905 | 7.415648 | 7.451861 | 7.272083 | 6.37885 | 7.637632 | 7.12891 | 7.328235 | 7.160049 | 7.541423 | 7.344315 | 7.685064 | 7.398903 | 5.603777 | 7.333482 | 7.215328 | 5.670421 | 7.356735 | 7.731695 | 7.325231 | 6.723854 | 5.914626 | 7.176455 | 7.18741 | 7.664064 | 6.958778 | 7.662186 | 7.246246 | 7.519688 | 7.467148 | 7.601587 | 7.607023 | 7.055527 | 7.525811 | 6.595104 | 6.72284 | 7.323933 | 7.393067 | 7.250341 | 7.642963 | 7.519005 | 6.886863 | 7.194395 | 6.929461 | 7.316575 | 7.576195 | 7.515076 | 6.670903 | 7.274816 | 6.137198 | 7.003542 | 6.882792 | 7.068214 | 6.926642 | 6.791131 | 6.877308 | 6.795889 | 6.987058 | 7.139791 | 7.317751 | 7.3298 | 7.55611 | 7.438698 | 7.028953 | 7.557997 | 7.204048 | 7.06073 | 5.980278 | 7.465956 | 7.228574 | 7.301196 | 7.298263 | 7.43442 | 6.378993 | 7.403562 | 6.430548 | 6.341114 | 6.882707 | 6.520155 | 6.019918 | [C][C][Branch1][C][C][C][=C][C][=C][C][=Branch1][Ring2][=N][Ring1][=Branch1][N][C][=C][C][=N][C][=Branch1][Ring2][=N][Ring1][=Branch1][N][C][=C][C] | -0.595656 | Q92630 | O00311 | P49336 | 7.187854 | 7.874241 | 7.859292 |
CN(C)C/C=C/C(=O)NC1=CC2=C(C=C1O[C@H1]3CCOC3)N=CN=C2NC=CC=C | 7.746451 | 7.978024 | 8.098502 | 7.463635 | 7.942312 | 7.827332 | 7.614823 | 7.744981 | 7.960747 | 7.389143 | 7.608487 | 7.909547 | 7.666846 | 8.042658 | 7.855197 | 7.533352 | 7.539696 | 7.646948 | 7.739667 | 7.717051 | 7.920896 | 7.654533 | 7.682602 | 8.059212 | 7.763268 | 7.710145 | 7.793502 | 7.921147 | 7.641146 | 7.833479 | 7.773436 | 7.703859 | 7.854446 | 7.811904 | 7.679883 | 7.749536 | 7.919008 | 7.601471 | 7.869581 | 7.92615 | 8.016436 | 7.949966 | 8.157087 | 8.140954 | 7.383957 | 7.455011 | 7.641722 | 7.880637 | 7.774953 | 7.76461 | 7.596357 | 7.916708 | 7.90791 | 7.895143 | 7.938992 | 7.67237 | 7.997334 | 7.962464 | 8.105417 | 7.369556 | 7.809686 | 7.861399 | 7.967097 | 7.5199 | 8.085096 | 7.937504 | 7.923623 | 7.818557 | 7.898067 | 7.96319 | 7.828851 | 7.88916 | 7.547278 | 7.405012 | 7.567625 | 7.590248 | 7.570251 | 7.829436 | 7.875762 | 7.953153 | 7.751279 | 7.96096 | 7.933226 | 8.05372 | 7.896225 | 8.169861 | 7.751619 | 7.476099 | 8.11329 | 7.624452 | 7.668728 | 7.822544 | 7.827256 | 7.83718 | 7.592614 | 7.976747 | 7.993988 | 7.984778 | 8.0168 | 7.854218 | 7.794474 | 7.962294 | 7.816908 | 7.864616 | 7.917754 | 7.818376 | 8.1042 | 7.784662 | 7.914947 | 7.80765 | 7.738229 | 7.789074 | 7.651934 | 7.603374 | 7.958355 | 7.882269 | 7.878951 | 7.827258 | 7.873956 | 7.833634 | 7.853244 | 7.863025 | 8.117708 | 7.6941 | 8.041667 | 7.938361 | 7.64826 | 7.832132 | 7.836691 | 7.862565 | 7.880841 | 7.445859 | 7.841593 | 7.725826 | 7.880394 | 7.887324 | 7.80718 | 7.747925 | 7.933345 | 7.841902 | 7.807808 | 7.825156 | 7.987799 | 7.924654 | 7.816686 | 7.841276 | 8.004473 | 7.899877 | 8.032744 | 7.987591 | 7.701627 | 7.90451 | 7.799741 | 7.711395 | 7.633613 | 7.589731 | 7.738416 | 7.861932 | 7.898371 | 7.700839 | 7.771936 | 7.955187 | 7.888534 | 7.824758 | 7.812049 | 7.818124 | 7.926583 | 7.785702 | 7.77735 | 7.855576 | 7.799416 | 7.801142 | 7.823177 | 8.026283 | 7.831454 | 7.552167 | 7.723702 | 7.75364 | 7.729284 | 8.067583 | 7.710531 | 7.780174 | 7.878476 | 7.905998 | 7.872549 | 7.909971 | 7.524402 | 7.997287 | 7.74098 | 7.838698 | 7.972801 | 7.753406 | 7.735008 | 8.061144 | 7.595946 | 7.82825 | 7.882685 | 7.539724 | 7.891205 | 7.625811 | 7.758356 | 7.776167 | 7.5829 | 7.517053 | 7.629014 | 7.719877 | 7.644181 | 7.476922 | 7.80426 | 7.801126 | 7.893571 | 7.645184 | 7.674733 | 7.736201 | 8.038706 | 7.931786 | 7.937437 | 7.806303 | 7.484932 | 7.877224 | 7.717653 | 7.946564 | 7.951353 | 8.107014 | 7.74659 | 8.041676 | 8.091846 | 7.88606 | 8.004999 | 7.99848 | 7.765121 | 7.789543 | 7.914727 | 8.216836 | 7.488145 | 7.615087 | 7.798246 | 7.752223 | 7.727024 | 7.846498 | 7.618774 | 7.736101 | 7.657384 | 7.782925 | 7.799906 | 7.623036 | 7.477946 | 7.939588 | 7.888844 | 7.805057 | 7.69517 | 7.994629 | 8.128466 | 8.026294 | 7.943762 | 7.478954 | 7.878496 | 7.952868 | 7.778561 | 7.471296 | 7.899628 | 7.777609 | 7.703591 | 7.603846 | 7.728704 | 7.738956 | 7.950327 | 7.850914 | 8.053242 | 7.919406 | 7.739945 | 7.790679 | 7.828976 | 7.392814 | 7.55629 | 7.864308 | 7.779264 | 7.838789 | 7.987816 | 7.9498 | 7.683864 | 7.728473 | 7.615393 | 7.906477 | 7.630672 | 7.793887 | 7.7317 | 7.76887 | 7.810014 | 7.99753 | 7.779776 | 7.975848 | 7.989074 | 7.890723 | 7.730113 | 7.904188 | 7.673734 | 7.828423 | 7.650698 | 7.708467 | 7.800493 | 7.91299 | 7.89405 | 7.998929 | 7.723522 | 7.676128 | 7.660098 | 8.096471 | 7.790857 | 7.883459 | 7.802814 | 7.768732 | 7.965295 | 7.860849 | 7.984025 | 7.888985 | 7.823829 | 7.83036 | 7.695414 | 7.848231 | 7.873039 | 7.944246 | 7.759992 | 7.97061 | 7.566031 | 7.749762 | 7.746736 | 7.773035 | 7.598083 | 8.023185 | 7.821652 | 7.691478 | 7.832035 | 7.710587 | 7.745225 | 7.805305 | 7.803529 | 7.827789 | 7.767317 | 7.83743 | 7.845344 | 7.895064 | 7.918777 | 7.809864 | 7.972773 | 7.910068 | 7.532845 | 7.780966 | 7.916018 | 7.825054 | 7.92387 | 8.078817 | 7.880459 | 7.775374 | 7.536217 | 7.698821 | 7.776808 | 7.834767 | 7.592239 | 7.711212 | 7.65833 | 7.78801 | 7.913151 | 7.923625 | 7.710353 | 7.747833 | 8.050838 | 7.843081 | 7.800866 | 7.767673 | 7.965613 | 7.882293 | 7.864779 | 7.902095 | 8.025911 | 7.966901 | 7.643527 | 7.722873 | 7.801163 | 7.977378 | 7.613173 | 7.670297 | 7.702434 | 7.824247 | 7.427625 | 7.978182 | 8.072529 | 7.824391 | 7.812336 | 7.859788 | 7.883985 | [C][N][Branch1][C][C][C][/C][=C][/C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=N][C][=C][Ring1][=Branch1][O][C@H1][C][C][O][C][Ring1][Branch1][N][=C][N][=C][Ring1][=C][N][C][=C][C][=C] | -0.512518 | Q92630 | Q16288 | P22607 | 7.650698 | 8.216836 | 8.169861 |
CC#CC(=O)N1CCC[C@H1]1C2=NC(=C3N2C=CN=C3N)C4=CC=CC=C4 | 7.718348 | 7.819102 | 7.859158 | 7.604576 | 7.946478 | 7.691138 | 7.722987 | 7.789803 | 7.748142 | 7.600229 | 7.74411 | 7.683976 | 7.671761 | 7.820044 | 7.595287 | 7.364946 | 7.624021 | 7.766744 | 7.584599 | 7.618321 | 7.638842 | 7.639304 | 7.669335 | 7.887939 | 7.633995 | 7.758843 | 7.94468 | 7.789886 | 7.841862 | 7.731655 | 7.746545 | 7.751573 | 7.685732 | 7.596635 | 7.764609 | 7.812837 | 7.848446 | 7.683556 | 7.781864 | 7.683467 | 7.876651 | 7.723476 | 7.998311 | 7.809519 | 7.50231 | 7.561276 | 7.556258 | 7.723653 | 7.769601 | 7.578072 | 7.794451 | 7.693941 | 7.774166 | 7.84798 | 7.682501 | 7.611785 | 7.814404 | 7.767132 | 8.012917 | 7.199886 | 7.734759 | 7.776978 | 7.842353 | 7.408384 | 7.914521 | 7.702339 | 7.869423 | 7.759572 | 7.697062 | 7.818952 | 7.822074 | 7.699794 | 7.314455 | 7.672866 | 7.568305 | 7.566046 | 7.378101 | 7.967328 | 7.718156 | 7.635326 | 7.759213 | 7.721816 | 7.845646 | 7.933457 | 7.801318 | 7.918883 | 7.593935 | 7.509511 | 7.776333 | 7.711849 | 7.651235 | 7.741845 | 7.667563 | 7.7909 | 7.622139 | 7.937962 | 7.871611 | 7.723792 | 7.74694 | 7.627088 | 7.839643 | 7.837437 | 7.681974 | 7.830973 | 7.891974 | 7.750518 | 7.816955 | 7.756326 | 7.654524 | 7.718599 | 7.615207 | 7.62575 | 7.726631 | 7.413555 | 7.82521 | 7.695914 | 7.620326 | 7.85005 | 7.613571 | 7.914473 | 7.668979 | 7.786237 | 7.871936 | 7.658068 | 7.935682 | 7.714834 | 7.60082 | 7.747533 | 7.858561 | 7.797069 | 7.623019 | 7.391398 | 7.588266 | 7.684277 | 7.836634 | 7.905863 | 7.624131 | 7.533374 | 7.866258 | 7.606441 | 7.560455 | 7.609982 | 7.570771 | 7.665916 | 7.693896 | 7.609494 | 7.788416 | 7.847795 | 7.917004 | 7.780775 | 7.632264 | 7.770409 | 7.691828 | 7.662048 | 7.81622 | 7.781607 | 7.802351 | 7.831406 | 7.640885 | 7.568841 | 7.752857 | 7.704247 | 7.614821 | 7.598809 | 7.654828 | 7.630603 | 7.711863 | 7.713958 | 7.725813 | 7.735505 | 7.715034 | 7.70141 | 7.641596 | 7.675432 | 7.748665 | 7.537101 | 7.494928 | 7.698327 | 7.765543 | 7.7747 | 7.685891 | 7.880504 | 7.805327 | 7.749146 | 7.768638 | 7.784928 | 7.676245 | 7.865914 | 7.773348 | 7.59792 | 7.920786 | 7.607434 | 7.635268 | 7.755652 | 7.72239 | 7.719087 | 7.945889 | 7.521267 | 7.879066 | 7.847301 | 7.783 | 7.803274 | 7.75708 | 7.47103 | 7.676334 | 7.649002 | 7.787593 | 7.463205 | 7.88018 | 7.677836 | 7.882232 | 7.556945 | 7.580935 | 7.693194 | 7.802168 | 7.830011 | 7.694179 | 7.601882 | 7.560824 | 7.764062 | 7.804006 | 7.656731 | 7.93766 | 7.824639 | 7.765582 | 7.888565 | 7.934508 | 7.639838 | 7.887651 | 7.808717 | 7.492941 | 7.730218 | 7.612912 | 7.874708 | 7.611429 | 7.664875 | 7.600109 | 7.587298 | 7.623223 | 7.621645 | 7.518452 | 7.703632 | 7.652382 | 7.719429 | 7.686743 | 7.609291 | 7.598579 | 8.004984 | 7.666118 | 7.730043 | 7.669527 | 7.903794 | 7.837277 | 7.810464 | 7.884351 | 7.724166 | 7.866493 | 7.902147 | 7.820899 | 7.705322 | 7.639315 | 7.936248 | 7.801876 | 7.610334 | 7.797629 | 7.676618 | 7.833164 | 7.757804 | 7.909383 | 7.863699 | 7.712134 | 7.584675 | 7.775836 | 7.617965 | 7.525367 | 7.697019 | 7.68602 | 7.903065 | 7.783191 | 7.758645 | 7.818767 | 7.664135 | 7.648098 | 7.818478 | 7.642959 | 7.732347 | 7.773991 | 7.595612 | 7.750834 | 7.780913 | 7.902277 | 8.030863 | 7.771846 | 7.902762 | 7.663387 | 7.801898 | 7.734513 | 7.75488 | 7.697617 | 7.635187 | 7.868696 | 7.726634 | 7.950769 | 7.790387 | 7.608808 | 7.775905 | 7.702477 | 7.867845 | 7.769687 | 7.862293 | 7.738062 | 7.749378 | 7.869139 | 7.538417 | 7.922287 | 7.821184 | 7.78692 | 7.767437 | 7.724841 | 7.786695 | 7.756793 | 7.755662 | 7.450444 | 7.727675 | 7.565664 | 7.631307 | 7.644317 | 7.890841 | 7.812258 | 7.734862 | 7.734917 | 7.705463 | 7.598818 | 7.71298 | 7.767678 | 7.582182 | 7.818738 | 7.62868 | 7.628853 | 7.996885 | 7.823864 | 7.538889 | 7.8672 | 7.715933 | 7.708091 | 7.751817 | 7.532154 | 7.646063 | 7.678286 | 7.860615 | 7.934921 | 7.787912 | 7.78503 | 7.71393 | 7.567286 | 7.743969 | 7.739594 | 7.852922 | 7.615966 | 7.688144 | 7.610863 | 7.857792 | 7.767397 | 7.76748 | 7.551013 | 7.782611 | 7.828094 | 7.586951 | 7.841801 | 7.754592 | 7.834128 | 7.812291 | 7.869528 | 7.669049 | 7.621381 | 7.672466 | 7.89574 | 7.621728 | 7.866352 | 7.878623 | 7.628199 | 7.639325 | 7.640374 | 7.752141 | 7.652218 | 7.997676 | 7.811414 | 7.675091 | 7.922586 | 7.757085 | 7.674456 | [C][C][#C][C][=Branch1][C][=O][N][C][C][C][C@H1][Ring1][Branch1][C][=N][C][=Branch1][N][=C][N][Ring1][Branch1][C][=C][N][=C][Ring1][=Branch1][N][C][=C][C][=C][C][=C][Ring1][=Branch1] | -0.321435 | Q92630 | Q8TDR2 | P08922 | 7.697617 | 8.030863 | 8.012917 |
C[C@@H1](C1=NC2=CC=C(C=C2C(=O)N1C3=CC=CC=C3)F)NC=C4C(N=C[NH1]4)=NC#N | 7.374955 | 7.363761 | 7.823735 | 7.565476 | 7.671399 | 7.439577 | 7.588904 | 7.78758 | 7.47671 | 7.694477 | 7.556071 | 7.429932 | 7.251759 | 7.491925 | 7.395568 | 7.331012 | 7.613554 | 7.521648 | 7.524912 | 7.365455 | 7.437862 | 7.511694 | 7.548131 | 7.630707 | 7.410597 | 7.48636 | 7.585726 | 7.571062 | 7.612292 | 7.449577 | 7.637402 | 7.681271 | 7.453646 | 7.326235 | 7.581111 | 7.681672 | 7.677406 | 7.637586 | 7.494367 | 7.415353 | 7.526324 | 7.665802 | 7.552042 | 7.615829 | 7.343899 | 7.517737 | 7.55275 | 7.450376 | 7.394332 | 7.405395 | 7.572817 | 7.597376 | 7.489523 | 7.500005 | 7.336919 | 7.654004 | 7.770645 | 7.489219 | 7.728122 | 7.295563 | 7.467439 | 7.588396 | 7.623531 | 7.304486 | 7.512617 | 7.598024 | 7.561695 | 7.53482 | 7.752429 | 7.678393 | 7.544301 | 7.479144 | 7.339113 | 7.650412 | 7.500796 | 7.55855 | 7.471288 | 7.596615 | 7.553337 | 7.549399 | 7.644568 | 7.210927 | 7.616395 | 7.719055 | 7.669376 | 7.552331 | 7.510183 | 7.48746 | 7.364402 | 7.634341 | 7.435949 | 7.457604 | 7.560846 | 7.429255 | 7.696881 | 7.534109 | 7.40481 | 7.355057 | 7.339871 | 7.285064 | 7.822188 | 7.662772 | 7.511482 | 7.614269 | 7.647765 | 7.486992 | 7.617686 | 7.417882 | 7.40529 | 7.441347 | 7.623608 | 7.531978 | 7.648878 | 7.382792 | 7.172617 | 7.42959 | 7.303667 | 7.660654 | 7.095581 | 7.730038 | 7.541173 | 7.406924 | 7.542386 | 7.551912 | 7.746502 | 7.526176 | 7.594176 | 7.533397 | 7.552359 | 7.444333 | 7.314279 | 7.227697 | 7.349891 | 7.497302 | 7.578915 | 7.684008 | 7.512885 | 7.509807 | 7.698308 | 7.602494 | 7.51334 | 7.576909 | 7.518641 | 7.60802 | 7.497155 | 7.469463 | 7.527524 | 7.58813 | 7.628822 | 7.428523 | 7.369188 | 7.546306 | 7.581766 | 7.453332 | 7.666216 | 7.463112 | 7.736357 | 7.74089 | 7.356175 | 7.234936 | 7.569467 | 7.222024 | 7.270603 | 7.073616 | 7.283527 | 7.473517 | 7.598144 | 7.42007 | 7.565296 | 7.66927 | 7.585923 | 7.607023 | 7.350308 | 7.509245 | 7.444519 | 7.249088 | 7.298266 | 7.623019 | 7.571339 | 7.548144 | 7.598394 | 7.751391 | 7.512197 | 7.628541 | 7.460306 | 7.450039 | 7.639424 | 7.699917 | 7.674987 | 7.36529 | 7.684046 | 7.490786 | 7.496826 | 7.442335 | 7.663362 | 7.441326 | 7.600866 | 7.402283 | 7.65661 | 7.625183 | 7.602324 | 7.461559 | 7.615807 | 7.368768 | 7.660574 | 7.347229 | 7.669075 | 7.322054 | 7.676399 | 7.366947 | 7.46236 | 7.651225 | 7.576594 | 7.570999 | 7.519848 | 7.68515 | 7.383383 | 7.337193 | 7.426882 | 7.651233 | 7.582418 | 7.38168 | 7.58755 | 7.64054 | 7.599359 | 7.724654 | 7.51362 | 7.471948 | 7.603762 | 7.492931 | 7.311312 | 7.522703 | 7.396009 | 7.736235 | 7.584164 | 7.632761 | 7.410143 | 7.496549 | 7.615393 | 7.546399 | 7.285471 | 7.346294 | 7.599017 | 7.666417 | 7.431219 | 7.59051 | 7.4713 | 7.639495 | 7.576026 | 7.705271 | 7.563809 | 7.678816 | 7.381743 | 7.551417 | 7.663687 | 7.603148 | 7.583913 | 7.760344 | 7.409433 | 7.75532 | 7.472222 | 7.615802 | 7.592124 | 7.679746 | 7.691176 | 7.596599 | 7.594186 | 7.671403 | 7.603793 | 7.736375 | 7.560087 | 7.607667 | 7.554284 | 7.611604 | 7.453923 | 7.538192 | 7.356103 | 7.721346 | 7.632613 | 7.56707 | 7.709082 | 7.520672 | 7.59516 | 7.511604 | 7.563281 | 7.561145 | 7.625086 | 7.42935 | 7.625328 | 7.606045 | 7.71229 | 7.652629 | 7.632616 | 7.623661 | 7.257443 | 7.731379 | 7.56331 | 7.519662 | 7.607914 | 7.432944 | 7.688713 | 7.470936 | 7.751406 | 7.595551 | 7.656621 | 7.572675 | 7.476339 | 7.517464 | 7.587082 | 7.72092 | 7.440656 | 7.723271 | 7.721656 | 7.508522 | 7.514915 | 7.533556 | 7.409299 | 7.631572 | 7.474092 | 7.601193 | 7.670566 | 7.644787 | 7.436801 | 7.700257 | 7.304016 | 7.564911 | 7.359339 | 7.62959 | 7.69179 | 7.583724 | 7.613689 | 7.552618 | 7.451418 | 7.686742 | 7.597005 | 7.639345 | 7.35073 | 7.653782 | 7.373003 | 7.580432 | 7.643785 | 7.588408 | 7.566623 | 7.355207 | 7.617864 | 7.653461 | 7.516249 | 7.469702 | 7.567696 | 7.718107 | 7.822249 | 7.654394 | 7.685295 | 7.682254 | 7.538587 | 7.65482 | 7.565405 | 7.606454 | 7.654943 | 7.516786 | 7.475921 | 7.581974 | 7.513541 | 7.265751 | 7.362261 | 7.461051 | 7.495463 | 7.372159 | 7.599742 | 7.675212 | 7.622026 | 7.633387 | 7.734501 | 7.634384 | 7.558816 | 7.575594 | 7.842335 | 7.589941 | 7.600287 | 7.733852 | 7.577674 | 7.371678 | 7.34316 | 7.367915 | 7.623403 | 7.531223 | 7.516475 | 7.649954 | 7.631177 | 7.662137 | 7.391164 | [C][C@@H1][Branch2][Ring1][=C][C][=N][C][=C][C][=C][Branch2][Ring1][Ring2][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][F][N][C][=C][C][Branch1][=Branch1][N][=C][NH1][Ring1][Branch1][=N][C][#N] | -0.23022 | Q92630 | Q9UQB9 | O00311 | 7.607914 | 7.842335 | 7.823735 |
CN1C(=C(C=N1)Cl)C=2C=C(SC=2Cl)C(=O)N | 5.053516 | 5.072067 | 6.632585 | 5.535976 | 5.017183 | 4.966487 | 5.206581 | 4.914282 | 5.153798 | 5.245652 | 5.016587 | 5.03898 | 4.865438 | 5.020452 | 4.701181 | 5.026523 | 4.898361 | 5.634442 | 4.923709 | 4.87792 | 4.74801 | 5.185507 | 5.110176 | 4.979398 | 4.956158 | 5.477105 | 5.02364 | 5.168335 | 4.80277 | 5.166355 | 5.201789 | 5.188064 | 5.326674 | 4.933982 | 5.105423 | 5.268328 | 5.087354 | 5.08502 | 5.216334 | 4.912715 | 4.784725 | 4.914223 | 4.966855 | 4.985709 | 4.942288 | 4.836716 | 4.789484 | 5.195086 | 5.39911 | 5.164043 | 5.308022 | 5.257765 | 5.147603 | 5.472567 | 5.304502 | 4.941645 | 5.103703 | 5.400289 | 5.458378 | 4.899913 | 5.336048 | 5.181413 | 4.88133 | 5.166426 | 6.488047 | 5.133966 | 5.062735 | 5.214341 | 4.937759 | 4.930744 | 5.245633 | 4.915823 | 5.069217 | 5.270325 | 4.877419 | 5.008734 | 5.101443 | 5.339878 | 5.441793 | 5.125059 | 5.230261 | 4.830313 | 4.99474 | 4.96428 | 5.335881 | 5.195132 | 4.858572 | 4.969917 | 4.99661 | 5.256309 | 5.409536 | 5.14595 | 5.055078 | 4.992973 | 5.150434 | 5.028745 | 4.825737 | 4.791499 | 4.758061 | 4.648248 | 5.34412 | 5.262308 | 5.382448 | 4.858712 | 4.838152 | 5.107767 | 5.219681 | 5.160208 | 4.959474 | 5.130195 | 5.158229 | 4.997029 | 5.105513 | 4.85283 | 4.956245 | 5.011366 | 4.874728 | 5.120017 | 4.959279 | 5.287487 | 4.908761 | 4.915677 | 5.164602 | 5.12325 | 5.067955 | 5.017217 | 5.145105 | 5.023582 | 4.814713 | 5.480413 | 5.192126 | 5.307282 | 5.129263 | 5.005411 | 5.233001 | 5.144061 | 4.882883 | 5.471168 | 5.234443 | 5.659069 | 5.155113 | 5.16933 | 5.256355 | 5.331678 | 5.154792 | 5.235081 | 5.440258 | 5.369616 | 5.109807 | 4.938769 | 5.154355 | 5.24884 | 5.141157 | 5.012452 | 4.628198 | 5.293006 | 5.167324 | 5.324204 | 4.988289 | 4.924519 | 5.173642 | 4.602891 | 4.762593 | 4.496721 | 4.681361 | 4.801292 | 5.26327 | 5.189013 | 5.340042 | 5.144516 | 5.128487 | 5.227155 | 5.24173 | 4.947424 | 5.108153 | 5.260902 | 5.125312 | 4.886801 | 5.20533 | 4.968271 | 5.282245 | 5.133954 | 5.25779 | 5.030243 | 4.975873 | 4.797215 | 5.065554 | 5.25559 | 5.141606 | 5.085123 | 4.932067 | 5.281997 | 5.124451 | 4.765333 | 5.263907 | 5.473357 | 5.157147 | 4.984079 | 5.279667 | 4.8528 | 5.186666 | 5.220075 | 4.970624 | 5.015032 | 5.147921 | 5.350617 | 4.928972 | 4.827343 | 5.38138 | 5.359015 | 5.268837 | 5.121485 | 5.168508 | 5.324542 | 5.748068 | 4.970147 | 4.849635 | 4.929911 | 5.471677 | 5.131603 | 5.075807 | 5.303287 | 5.038517 | 5.509194 | 5.156441 | 5.111172 | 4.9746 | 4.798066 | 5.359715 | 5.184004 | 5.207112 | 5.111454 | 4.908391 | 5.396198 | 5.038951 | 5.112409 | 4.944543 | 5.034123 | 5.26121 | 5.166757 | 4.990698 | 5.151019 | 4.923202 | 5.298187 | 5.177691 | 5.304176 | 5.086937 | 5.189054 | 5.051096 | 6.028337 | 5.492807 | 5.350999 | 4.881261 | 5.013437 | 5.323632 | 4.972734 | 5.301035 | 5.093907 | 5.096687 | 5.143808 | 5.025794 | 5.321609 | 5.00986 | 5.159524 | 4.882822 | 5.260346 | 4.823177 | 5.074862 | 6.430404 | 5.170713 | 5.291043 | 5.659651 | 5.056991 | 5.386511 | 5.092286 | 4.958664 | 5.276161 | 5.113839 | 5.348397 | 5.339794 | 5.063795 | 4.991493 | 5.120469 | 5.298036 | 5.414384 | 5.33629 | 5.051236 | 5.105428 | 5.219062 | 5.002211 | 5.090878 | 5.358117 | 5.08921 | 5.392251 | 5.066876 | 5.180257 | 5.051082 | 5.175179 | 5.22529 | 5.057232 | 5.180532 | 5.07312 | 5.103266 | 5.085302 | 5.146533 | 5.132743 | 5.342381 | 4.965124 | 5.233371 | 4.950136 | 5.248568 | 5.055729 | 5.309288 | 5.08201 | 5.231817 | 5.088841 | 5.117769 | 5.143002 | 5.215285 | 5.248675 | 5.059054 | 5.32703 | 5.066891 | 4.903175 | 5.331103 | 5.284808 | 4.861754 | 5.271113 | 5.159945 | 5.117214 | 5.211179 | 5.220697 | 5.238249 | 5.613777 | 5.014985 | 5.662642 | 5.365742 | 5.6851 | 4.852295 | 5.069305 | 5.421787 | 6.360922 | 5.374673 | 5.042374 | 5.045381 | 5.106498 | 4.976316 | 5.461323 | 4.91439 | 5.042253 | 5.230828 | 5.229868 | 4.97296 | 5.245808 | 4.954932 | 5.072227 | 5.002858 | 5.392836 | 5.130775 | 5.348846 | 5.045759 | 5.034884 | 5.111544 | 4.907776 | 5.138138 | 5.052366 | 5.016861 | 5.103414 | 5.23231 | 5.305664 | 4.861111 | 4.789661 | 5.114303 | 5.190947 | 5.127682 | 5.134929 | 5.305317 | 5.219761 | 4.844617 | 5.146903 | 5.221633 | 5.126549 | 4.88939 | 5.590477 | 5.287107 | 5.026473 | 4.840453 | 5.270885 | 5.025383 | 5.114836 | 4.977919 | [C][N][C][=Branch1][=Branch2][=C][Branch1][Branch1][C][=N][Ring1][Branch1][Cl][C][C][=C][Branch1][=Branch1][S][C][=Ring1][Branch1][Cl][C][=Branch1][C][=O][N] | -0.886918 | Q92630 | O00311 | P11309 | 5.22529 | 6.632585 | 6.488047 |
CN(C)C/C=C/C(=O)NC1=CC2=C(C=C1O[C@H1]3CCOC3)N=CN=C2NC=CC | 7.288406 | 7.818339 | 7.961865 | 7.061296 | 7.760422 | 7.539845 | 7.251939 | 7.374788 | 7.859832 | 6.822807 | 7.241296 | 7.746099 | 7.421495 | 7.808666 | 7.526552 | 7.054002 | 7.31658 | 7.434732 | 7.192284 | 7.434874 | 7.670365 | 7.390236 | 7.224636 | 7.873892 | 7.495972 | 7.48731 | 7.721593 | 7.620162 | 7.331773 | 7.530312 | 7.462275 | 7.237939 | 7.635126 | 7.494303 | 7.545348 | 7.486337 | 7.527849 | 7.104025 | 7.625223 | 7.641805 | 7.965833 | 7.480709 | 8.172019 | 8.185118 | 6.946568 | 6.904996 | 6.921211 | 7.551705 | 7.208779 | 7.301067 | 7.347392 | 7.690551 | 7.639863 | 7.658602 | 7.688852 | 6.91748 | 7.761814 | 7.638536 | 7.925505 | 7.008968 | 7.415565 | 7.631725 | 7.49915 | 7.318634 | 7.900416 | 7.602861 | 7.89199 | 7.388703 | 7.593692 | 7.579063 | 7.484068 | 7.686537 | 7.272599 | 7.064352 | 6.908704 | 7.167875 | 7.255937 | 7.643037 | 7.560283 | 7.596498 | 7.547433 | 7.835112 | 7.750217 | 8.056065 | 7.608521 | 7.9906 | 7.289588 | 7.068125 | 7.881635 | 7.173352 | 7.030601 | 7.632449 | 7.451756 | 7.537078 | 7.256719 | 7.706978 | 7.904086 | 7.80244 | 7.821746 | 7.65433 | 7.501822 | 7.637029 | 7.625805 | 7.60166 | 7.616149 | 7.575494 | 7.924668 | 7.615869 | 7.637928 | 7.621641 | 7.355558 | 7.445982 | 7.139431 | 7.447645 | 7.83777 | 7.719394 | 7.718973 | 7.627414 | 7.665791 | 7.384587 | 7.365759 | 7.566834 | 8.001217 | 7.463017 | 7.922036 | 7.797927 | 7.303667 | 7.627023 | 7.598772 | 7.991318 | 7.640698 | 7.178689 | 7.479773 | 7.390133 | 7.911116 | 7.527735 | 7.511646 | 7.501324 | 7.586642 | 7.523382 | 7.560943 | 7.37167 | 7.910545 | 7.752389 | 7.308933 | 7.427328 | 7.860341 | 7.631555 | 7.849916 | 7.383668 | 7.389915 | 7.6867 | 7.491212 | 7.368267 | 7.106141 | 7.243806 | 7.645365 | 7.793197 | 7.481105 | 7.464695 | 7.433447 | 7.638998 | 7.661643 | 7.542862 | 7.550601 | 7.586488 | 7.665334 | 7.399587 | 7.428669 | 7.62465 | 7.510707 | 7.371951 | 7.584456 | 7.531004 | 7.69816 | 7.350412 | 7.501986 | 7.344495 | 7.300095 | 7.679333 | 7.406064 | 7.314778 | 7.732885 | 7.504255 | 7.718299 | 7.66815 | 6.995747 | 7.875254 | 7.367848 | 7.599884 | 7.840603 | 7.432773 | 7.372237 | 7.819759 | 7.177639 | 7.434354 | 7.855257 | 7.346468 | 7.604651 | 7.221898 | 7.588527 | 7.642609 | 7.189848 | 7.299865 | 7.2473 | 7.202888 | 7.316471 | 6.970883 | 7.713737 | 7.640938 | 7.738863 | 7.217608 | 7.270841 | 7.430969 | 7.923753 | 7.511956 | 7.663136 | 7.576291 | 7.037451 | 7.64074 | 7.396659 | 7.821321 | 7.823336 | 7.756667 | 7.337549 | 7.654473 | 8.090806 | 7.628462 | 8.100376 | 7.732812 | 7.298821 | 7.525748 | 7.745874 | 8.207072 | 6.995907 | 7.168127 | 7.270608 | 7.290022 | 7.236008 | 7.672117 | 7.247256 | 7.410431 | 7.268346 | 7.351231 | 7.130795 | 7.38752 | 7.2279 | 7.471263 | 7.576695 | 7.53976 | 7.305395 | 7.673094 | 7.854931 | 7.710246 | 7.5306 | 7.05366 | 7.682811 | 7.507901 | 7.264619 | 7.066219 | 7.661621 | 7.621923 | 7.516778 | 7.316228 | 7.284985 | 7.396629 | 7.683759 | 7.67059 | 8.001292 | 7.695935 | 7.21647 | 7.568658 | 7.290676 | 7.101141 | 7.308702 | 7.437263 | 7.646273 | 7.373223 | 7.657346 | 7.699791 | 7.340085 | 7.516781 | 7.301037 | 7.890758 | 7.329211 | 7.443981 | 7.586126 | 7.649345 | 7.517613 | 7.769452 | 7.241255 | 7.951501 | 7.705264 | 7.639077 | 7.612761 | 7.701693 | 7.580134 | 7.398233 | 7.404768 | 7.328101 | 7.542917 | 7.537323 | 7.305236 | 7.81032 | 7.466761 | 7.192312 | 7.060406 | 7.682362 | 7.521158 | 7.29323 | 7.53218 | 7.354587 | 8.024274 | 7.483208 | 8.012499 | 7.506753 | 7.625701 | 7.529297 | 7.40731 | 7.545568 | 7.684686 | 7.658925 | 7.406508 | 7.751145 | 7.185714 | 7.242872 | 7.425005 | 7.47668 | 7.194116 | 7.744762 | 7.459126 | 7.320449 | 7.372635 | 7.471647 | 7.369691 | 7.581805 | 7.769147 | 7.60391 | 7.520773 | 7.43761 | 7.666372 | 7.607706 | 7.623373 | 7.35236 | 7.668633 | 7.506369 | 7.022686 | 7.527593 | 7.71417 | 7.380724 | 7.556376 | 7.686373 | 7.549595 | 7.565436 | 7.223066 | 7.393463 | 7.467512 | 7.60237 | 7.29622 | 7.375659 | 7.225354 | 7.552295 | 7.630622 | 7.671649 | 7.440077 | 7.570037 | 7.966111 | 7.678123 | 7.541309 | 7.540596 | 7.696223 | 7.499077 | 7.639875 | 7.525477 | 7.732243 | 7.660594 | 7.215678 | 7.46984 | 7.43175 | 7.693571 | 7.280482 | 7.359316 | 7.444453 | 7.720819 | 7.056896 | 7.920552 | 7.723605 | 7.455698 | 7.649722 | 7.568811 | 7.352536 | [C][N][Branch1][C][C][C][/C][=C][/C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=N][C][=C][Ring1][=Branch1][O][C@H1][C][C][O][C][Ring1][Branch1][N][=C][N][=C][Ring1][=C][N][C][=C][C] | -0.665323 | Q92630 | Q16288 | P04629 | 7.404768 | 8.207072 | 8.185118 |
CC(C)C1=CC(=NO1)NC(=O)NC2=CC=CC(=C2)OC=CC=CC=C | 6.279766 | 6.289306 | 6.409792 | 6.168081 | 6.535722 | 6.471926 | 6.452533 | 6.571518 | 6.220392 | 6.431801 | 6.3322 | 6.155756 | 6.290332 | 6.364802 | 6.30445 | 6.228704 | 6.185959 | 6.257936 | 6.282524 | 6.219018 | 6.305159 | 6.130695 | 6.303008 | 6.380106 | 6.253067 | 6.420149 | 6.460099 | 6.363676 | 6.411583 | 6.167542 | 6.35846 | 6.228479 | 6.250614 | 6.208426 | 6.454556 | 6.682766 | 6.272754 | 6.377973 | 6.211286 | 6.205901 | 6.352014 | 6.42204 | 6.509604 | 6.813506 | 6.303814 | 6.276661 | 6.331188 | 6.219078 | 6.246108 | 6.358932 | 6.642756 | 6.760768 | 6.276827 | 6.505238 | 6.378171 | 6.482433 | 6.633178 | 6.479127 | 6.78125 | 6.02747 | 6.293495 | 6.22258 | 6.259047 | 6.250254 | 6.280625 | 6.601363 | 6.475351 | 6.286055 | 6.659023 | 6.387358 | 6.167032 | 6.309374 | 6.116505 | 6.416146 | 6.278507 | 6.154007 | 6.186386 | 6.366549 | 6.169542 | 6.23915 | 6.230562 | 6.091028 | 6.61127 | 6.726045 | 6.749168 | 6.783177 | 6.155191 | 6.14463 | 6.542131 | 6.268463 | 6.255491 | 6.359628 | 6.374348 | 6.233998 | 6.267736 | 6.290431 | 6.398979 | 6.265287 | 6.465571 | 6.063103 | 6.729438 | 6.290654 | 6.611303 | 6.396891 | 6.370113 | 6.509457 | 6.474136 | 6.222648 | 6.229509 | 6.300332 | 6.291525 | 6.461816 | 6.43752 | 6.329285 | 6.231574 | 6.341695 | 6.286077 | 6.484747 | 6.062449 | 6.73692 | 6.273988 | 6.189046 | 6.381776 | 6.516922 | 6.684565 | 6.271797 | 6.493582 | 6.541014 | 6.426576 | 6.429149 | 6.132598 | 6.196009 | 6.22572 | 6.293301 | 6.703684 | 6.659623 | 6.183954 | 6.194203 | 6.68227 | 6.198884 | 6.176035 | 6.198774 | 6.163846 | 6.281374 | 6.169281 | 6.189573 | 6.561713 | 6.30172 | 6.429762 | 6.278523 | 6.183334 | 6.184738 | 6.443928 | 6.213429 | 6.338607 | 6.27546 | 6.663372 | 6.675745 | 6.282485 | 6.173122 | 6.195229 | 6.304992 | 6.224435 | 6.177879 | 6.102872 | 6.349373 | 6.344537 | 6.316913 | 6.173722 | 6.40673 | 6.848657 | 6.405708 | 6.241943 | 6.139068 | 6.277437 | 6.21603 | 6.213854 | 6.192703 | 6.421194 | 6.450133 | 6.171754 | 6.436667 | 6.63123 | 6.610943 | 6.313187 | 6.155065 | 6.337297 | 6.601135 | 6.653803 | 6.205128 | 6.48263 | 6.282547 | 6.600435 | 6.348785 | 6.332836 | 6.387744 | 6.724193 | 6.303999 | 6.297602 | 6.384535 | 6.558182 | 6.220965 | 6.438518 | 6.234911 | 6.64228 | 6.315144 | 6.580545 | 6.205601 | 6.614124 | 6.177979 | 6.515683 | 6.360296 | 6.307168 | 6.321047 | 6.197783 | 6.439713 | 6.356557 | 6.179976 | 6.337196 | 6.289061 | 6.266876 | 6.207365 | 6.320422 | 6.146019 | 6.254973 | 6.449054 | 6.367553 | 6.258287 | 6.550365 | 6.088208 | 6.269232 | 6.306746 | 6.164179 | 6.804309 | 6.268674 | 6.240981 | 6.229555 | 6.397291 | 6.423353 | 6.588087 | 6.050602 | 6.245259 | 6.21755 | 6.313354 | 6.167485 | 6.403897 | 6.400305 | 6.540486 | 6.27102 | 6.739075 | 6.254119 | 6.461147 | 6.404655 | 6.364958 | 6.444352 | 6.25431 | 6.259371 | 6.3766 | 6.258727 | 6.324276 | 6.248891 | 6.54833 | 6.220903 | 6.23532 | 6.427588 | 6.261676 | 6.450485 | 6.702252 | 6.451293 | 6.357157 | 6.264066 | 6.176714 | 6.368521 | 6.430378 | 6.119723 | 6.17117 | 6.075409 | 6.281669 | 6.569408 | 6.28657 | 6.565388 | 6.231755 | 6.382307 | 6.678398 | 6.15395 | 6.177099 | 6.634727 | 6.127431 | 6.212499 | 6.334798 | 6.280078 | 6.586763 | 6.225554 | 6.349114 | 6.354218 | 6.677354 | 6.546672 | 6.16785 | 6.187005 | 6.214048 | 6.405989 | 6.162255 | 6.515446 | 6.311906 | 6.179437 | 6.396024 | 6.302028 | 6.308267 | 6.245521 | 6.51418 | 6.103094 | 6.382456 | 6.795465 | 6.262645 | 6.537467 | 6.22789 | 6.115015 | 6.417802 | 6.506093 | 6.287321 | 6.477358 | 6.342391 | 6.110201 | 6.208558 | 6.290626 | 6.21029 | 6.343804 | 6.546676 | 6.259581 | 6.199858 | 6.209567 | 6.227908 | 6.295124 | 6.56378 | 6.377342 | 6.17219 | 6.438107 | 6.190607 | 6.35497 | 6.366763 | 6.548144 | 6.232684 | 6.21223 | 6.199411 | 6.223595 | 6.83157 | 6.351292 | 6.24919 | 6.206077 | 6.332618 | 6.477947 | 6.258587 | 6.409329 | 6.550889 | 6.218844 | 6.27529 | 6.149632 | 6.50465 | 6.206457 | 6.314555 | 6.299544 | 6.433801 | 6.311377 | 6.431616 | 6.088782 | 6.305349 | 6.297113 | 6.16489 | 6.21912 | 6.63263 | 6.497203 | 6.434301 | 6.688573 | 6.36544 | 6.254275 | 6.210269 | 6.589555 | 6.26881 | 6.366007 | 6.457793 | 6.182302 | 6.367756 | 6.321724 | 6.253312 | 6.425018 | 6.453948 | 6.423985 | 6.517612 | 6.45108 | 6.872227 | 6.282101 | [C][C][Branch1][C][C][C][=C][C][=Branch1][Branch1][=N][O][Ring1][Branch1][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][=C][C][=C][C][=C] | -0.594904 | Q92630 | Q9Y6M4 | P78368 | 6.187005 | 6.872227 | 6.848657 |
C[C@@H1](C1=NC2=CC=C(C=C2C(=O)N1C3=CC=CC=C3)F)NC=C4CN=C[NH1]4 | 7.137146 | 7.114159 | 7.573789 | 7.103807 | 7.389667 | 7.235819 | 7.301186 | 7.352321 | 7.192106 | 7.318928 | 7.244125 | 7.018035 | 7.116629 | 7.158528 | 7.1458 | 6.931709 | 7.223844 | 7.216674 | 7.039674 | 6.948735 | 7.113589 | 7.013965 | 7.174627 | 7.317574 | 6.925868 | 7.273858 | 7.353056 | 7.263536 | 7.251752 | 7.066661 | 7.285252 | 7.249029 | 7.143262 | 7.031917 | 7.303565 | 7.42584 | 7.2664 | 7.204548 | 7.196622 | 7.065781 | 7.183657 | 7.218728 | 7.314669 | 7.418412 | 6.903625 | 7.00088 | 7.287364 | 7.100308 | 7.084311 | 7.173268 | 7.333706 | 7.367939 | 7.142807 | 7.247329 | 7.163051 | 7.201094 | 7.324308 | 7.257595 | 7.477272 | 6.88515 | 7.159293 | 7.276456 | 7.087178 | 7.061611 | 7.141223 | 7.315256 | 7.368919 | 7.112576 | 7.316555 | 7.132983 | 7.131286 | 7.154681 | 7.007403 | 7.288943 | 7.080388 | 7.034437 | 7.137451 | 7.29073 | 7.146851 | 7.142408 | 7.145904 | 6.664146 | 7.299358 | 7.427813 | 7.341678 | 7.309128 | 7.056717 | 6.992606 | 7.154847 | 7.201509 | 7.192754 | 7.195902 | 7.225581 | 7.007634 | 7.324247 | 7.134109 | 7.011576 | 7.051641 | 7.058975 | 6.866854 | 7.528683 | 7.322982 | 7.224683 | 7.287594 | 7.337954 | 7.223733 | 7.363898 | 7.145607 | 7.133849 | 7.190636 | 7.181059 | 7.205094 | 7.336946 | 7.143623 | 6.988254 | 7.181893 | 7.084446 | 7.322989 | 6.547252 | 7.524333 | 7.223999 | 7.01577 | 7.285347 | 7.178174 | 7.468237 | 7.182987 | 7.145693 | 7.23131 | 7.225663 | 7.175701 | 6.885841 | 6.897639 | 7.065989 | 7.215826 | 7.276906 | 7.404836 | 7.076332 | 7.272768 | 7.448566 | 7.259249 | 7.056185 | 7.075706 | 7.066639 | 7.197658 | 6.945457 | 7.185534 | 7.365509 | 7.257868 | 7.308156 | 7.030383 | 6.984673 | 7.187421 | 7.389122 | 7.140399 | 7.233854 | 7.151939 | 7.331445 | 7.382364 | 6.987116 | 6.868385 | 7.135255 | 6.990359 | 6.955015 | 6.855618 | 6.813009 | 7.059643 | 7.332907 | 7.024088 | 7.192432 | 7.317493 | 7.326429 | 7.234062 | 7.183262 | 7.003355 | 7.214155 | 6.969937 | 7.072698 | 7.236423 | 7.290147 | 7.261037 | 7.155267 | 7.454907 | 7.234442 | 7.347201 | 7.231893 | 6.99266 | 7.234207 | 7.370365 | 7.358938 | 7.107039 | 7.434103 | 7.20357 | 7.349789 | 7.125143 | 7.289849 | 7.116591 | 7.385002 | 7.150376 | 7.269686 | 7.209361 | 7.362416 | 7.163615 | 7.26698 | 7.065395 | 7.325551 | 7.128748 | 7.201929 | 6.790333 | 7.376284 | 6.994855 | 7.193651 | 7.287625 | 7.1969 | 7.247073 | 7.139941 | 7.278464 | 7.140499 | 7.202229 | 6.957211 | 7.233154 | 7.184077 | 7.197742 | 7.317525 | 7.108861 | 7.165674 | 7.393964 | 7.265369 | 7.044755 | 7.373629 | 7.103944 | 7.015759 | 7.24145 | 7.073958 | 7.501716 | 6.994595 | 7.09695 | 6.97727 | 7.291041 | 7.209798 | 7.251147 | 6.831591 | 7.054772 | 7.300308 | 7.203633 | 6.961782 | 7.281212 | 7.194655 | 7.307364 | 7.153984 | 7.421386 | 7.174423 | 7.337951 | 7.134405 | 7.193417 | 7.28002 | 7.221452 | 7.182616 | 7.267468 | 7.002984 | 7.330928 | 7.085867 | 7.357682 | 7.21249 | 7.255469 | 7.364107 | 7.237484 | 7.300559 | 7.370865 | 7.322633 | 7.37556 | 7.128542 | 7.272714 | 7.230792 | 7.262206 | 6.994802 | 7.070198 | 6.838265 | 7.244281 | 7.425513 | 7.277176 | 7.387526 | 7.200273 | 7.34796 | 7.264241 | 7.237047 | 7.200004 | 7.359195 | 7.060835 | 7.2101 | 7.261257 | 7.25398 | 7.31274 | 7.258612 | 7.300718 | 7.049517 | 7.425231 | 7.381722 | 7.067701 | 7.228936 | 7.146764 | 7.305412 | 7.138939 | 7.360538 | 7.289706 | 7.20335 | 7.190874 | 7.087205 | 7.141243 | 7.132334 | 7.39413 | 7.121917 | 7.435512 | 7.383931 | 7.166783 | 7.332085 | 7.155694 | 7.069013 | 7.285103 | 7.231078 | 7.169102 | 7.337529 | 7.268829 | 7.125824 | 7.176953 | 7.061224 | 7.173706 | 7.035323 | 7.26461 | 7.334047 | 7.216816 | 7.249398 | 7.198484 | 7.08947 | 7.423036 | 7.331051 | 7.296873 | 7.231865 | 7.299301 | 7.050029 | 7.261609 | 7.322245 | 7.21426 | 7.169477 | 7.055306 | 7.233946 | 7.389884 | 7.192583 | 7.137671 | 7.334623 | 7.324871 | 7.474491 | 7.202656 | 7.341673 | 7.396158 | 7.024485 | 7.25857 | 7.134517 | 7.308911 | 7.226254 | 7.222852 | 7.090802 | 7.326569 | 7.113153 | 7.095634 | 6.826878 | 7.186666 | 7.172039 | 7.144479 | 7.186016 | 7.414041 | 7.314479 | 7.36503 | 7.485416 | 7.282146 | 7.095837 | 7.15542 | 7.468719 | 7.247875 | 7.311791 | 7.399401 | 7.076442 | 7.114793 | 7.079046 | 7.089806 | 7.238525 | 7.19187 | 7.204637 | 7.355605 | 7.380844 | 7.360415 | 7.1403 | [C][C@@H1][Branch2][Ring1][=C][C][=N][C][=C][C][=C][Branch2][Ring1][Ring2][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][F][N][C][=C][C][N][=C][NH1][Ring1][Branch1] | -0.331803 | Q92630 | O00311 | P29376 | 7.228936 | 7.573789 | 7.528683 |
CC(C)C1=CC(=NO1)NC(=O)NC2=CC=CC(=C2)OC=C3C=CC=CC3=N | 6.313692 | 6.29464 | 6.48343 | 6.237405 | 6.576571 | 6.430595 | 6.498655 | 6.673847 | 6.340139 | 6.478283 | 6.445555 | 6.196798 | 6.334381 | 6.417233 | 6.2926 | 6.350515 | 6.297031 | 6.379991 | 6.353651 | 6.286314 | 6.314813 | 6.286527 | 6.360903 | 6.346568 | 6.320664 | 6.492824 | 6.57533 | 6.38558 | 6.413076 | 6.302347 | 6.38192 | 6.368023 | 6.342359 | 6.24788 | 6.544323 | 6.754193 | 6.337156 | 6.453207 | 6.29343 | 6.257863 | 6.349301 | 6.416599 | 6.495862 | 6.883584 | 6.349254 | 6.371459 | 6.540439 | 6.297256 | 6.319413 | 6.429677 | 6.615005 | 6.839299 | 6.322949 | 6.571258 | 6.422071 | 6.567362 | 6.67237 | 6.483014 | 6.727942 | 6.150109 | 6.39261 | 6.377113 | 6.31235 | 6.398586 | 6.264364 | 6.548476 | 6.596437 | 6.333192 | 6.782916 | 6.351422 | 6.26731 | 6.377952 | 6.258514 | 6.504658 | 6.383148 | 6.234529 | 6.361404 | 6.468624 | 6.303727 | 6.368305 | 6.337431 | 6.112187 | 6.600551 | 6.683517 | 6.821858 | 6.737377 | 6.245051 | 6.222897 | 6.468758 | 6.401571 | 6.33991 | 6.357819 | 6.34748 | 6.33949 | 6.404663 | 6.3896 | 6.314841 | 6.171264 | 6.357446 | 6.119792 | 6.808491 | 6.458327 | 6.580162 | 6.387563 | 6.424543 | 6.495836 | 6.344326 | 6.316953 | 6.340259 | 6.335453 | 6.402305 | 6.492017 | 6.506282 | 6.483895 | 6.275519 | 6.320468 | 6.257214 | 6.420783 | 6.100214 | 6.742586 | 6.331892 | 6.221817 | 6.393992 | 6.484743 | 6.71192 | 6.336793 | 6.477807 | 6.514464 | 6.398668 | 6.412279 | 6.242743 | 6.290446 | 6.326353 | 6.366536 | 6.584822 | 6.606016 | 6.233344 | 6.382091 | 6.621383 | 6.372739 | 6.282018 | 6.318803 | 6.340596 | 6.471827 | 6.248761 | 6.321734 | 6.513696 | 6.376398 | 6.434078 | 6.346944 | 6.320838 | 6.262268 | 6.488861 | 6.290061 | 6.41797 | 6.39209 | 6.608717 | 6.637355 | 6.368643 | 6.262568 | 6.348887 | 6.225785 | 6.174136 | 6.160307 | 6.150588 | 6.26966 | 6.451897 | 6.351442 | 6.292961 | 6.48042 | 6.808402 | 6.443311 | 6.335188 | 6.258433 | 6.366374 | 6.293424 | 6.287736 | 6.268606 | 6.460406 | 6.495989 | 6.273709 | 6.545343 | 6.584236 | 6.563782 | 6.357685 | 6.20012 | 6.435299 | 6.614907 | 6.618988 | 6.285861 | 6.497487 | 6.389668 | 6.616261 | 6.371789 | 6.5005 | 6.426096 | 6.710133 | 6.391653 | 6.423833 | 6.428238 | 6.542757 | 6.351769 | 6.473582 | 6.33036 | 6.696015 | 6.37516 | 6.541241 | 6.298809 | 6.551851 | 6.24902 | 6.432559 | 6.465922 | 6.441454 | 6.454688 | 6.298413 | 6.430786 | 6.330321 | 6.2778 | 6.403435 | 6.459651 | 6.375936 | 6.326121 | 6.424776 | 6.209136 | 6.368661 | 6.421202 | 6.371847 | 6.20572 | 6.614889 | 6.22536 | 6.322661 | 6.385687 | 6.235403 | 6.820909 | 6.365092 | 6.348322 | 6.356458 | 6.467125 | 6.438602 | 6.57476 | 6.127598 | 6.281879 | 6.333086 | 6.418178 | 6.256295 | 6.487771 | 6.43685 | 6.546638 | 6.417509 | 6.770684 | 6.35263 | 6.528969 | 6.344679 | 6.407731 | 6.449735 | 6.343451 | 6.360228 | 6.455453 | 6.318832 | 6.438528 | 6.310819 | 6.609471 | 6.337195 | 6.345362 | 6.501194 | 6.374827 | 6.436472 | 6.708559 | 6.471704 | 6.449128 | 6.355886 | 6.321986 | 6.44746 | 6.550483 | 6.265383 | 6.315242 | 6.176478 | 6.310355 | 6.580869 | 6.389161 | 6.716284 | 6.319188 | 6.497136 | 6.558063 | 6.30469 | 6.296804 | 6.716528 | 6.234801 | 6.3713 | 6.381796 | 6.306668 | 6.589811 | 6.304584 | 6.406343 | 6.326159 | 6.678788 | 6.543967 | 6.236562 | 6.326339 | 6.348232 | 6.504364 | 6.226928 | 6.555722 | 6.343736 | 6.270961 | 6.412933 | 6.361788 | 6.326374 | 6.316172 | 6.536086 | 6.234976 | 6.522846 | 6.794832 | 6.382825 | 6.552204 | 6.306057 | 6.202863 | 6.451691 | 6.512222 | 6.393757 | 6.494862 | 6.425495 | 6.321816 | 6.331701 | 6.388854 | 6.311285 | 6.319109 | 6.553933 | 6.383042 | 6.27418 | 6.291792 | 6.303672 | 6.325957 | 6.557187 | 6.480219 | 6.310373 | 6.393857 | 6.344644 | 6.339001 | 6.40414 | 6.574738 | 6.399403 | 6.328745 | 6.244682 | 6.300152 | 6.821505 | 6.456128 | 6.350063 | 6.379865 | 6.409636 | 6.553239 | 6.378669 | 6.48834 | 6.514088 | 6.377416 | 6.446635 | 6.250748 | 6.555342 | 6.321203 | 6.36307 | 6.372113 | 6.46736 | 6.395096 | 6.388647 | 6.159571 | 6.393678 | 6.273238 | 6.288616 | 6.341279 | 6.664528 | 6.472517 | 6.488227 | 6.638002 | 6.445107 | 6.328403 | 6.292024 | 6.6509 | 6.409936 | 6.389364 | 6.394858 | 6.253322 | 6.355298 | 6.313507 | 6.312709 | 6.55614 | 6.455843 | 6.457785 | 6.551037 | 6.518578 | 6.889183 | 6.304891 | [C][C][Branch1][C][C][C][=C][C][=Branch1][Branch1][=N][O][Ring1][Branch1][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=N] | -0.510084 | Q92630 | Q9Y6M4 | P04629 | 6.326339 | 6.889183 | 6.883584 |
CC(C)C1=CC(=NO1)NC(=O)NC2=CC=CC(=C2)OC3=C4C=CC(=CC4=NC=N3)O | 6.510063 | 6.443373 | 6.95132 | 6.587232 | 6.725181 | 6.604145 | 6.701825 | 6.865314 | 6.581346 | 6.976935 | 6.533432 | 6.328268 | 6.520121 | 6.644072 | 6.498879 | 6.540668 | 6.56259 | 6.594498 | 6.537674 | 6.422479 | 6.488936 | 6.636799 | 6.734572 | 6.693753 | 6.613341 | 6.729628 | 6.74057 | 6.656173 | 6.614058 | 6.521636 | 6.652368 | 6.64756 | 6.555223 | 6.4075 | 6.700274 | 6.964085 | 6.6105 | 6.673274 | 6.580193 | 6.406536 | 6.544326 | 6.715522 | 6.619057 | 7.085058 | 6.458764 | 6.577315 | 6.705805 | 6.55922 | 6.477561 | 6.599196 | 6.917706 | 7.131648 | 6.541402 | 6.681281 | 6.57301 | 6.708963 | 6.993251 | 6.511127 | 6.910475 | 6.554423 | 6.562122 | 6.640426 | 6.552634 | 6.64538 | 6.664158 | 6.910022 | 6.764312 | 6.5089 | 6.947977 | 6.725586 | 6.512798 | 6.556075 | 6.681832 | 6.879074 | 6.60227 | 6.57253 | 6.691407 | 6.837563 | 6.615999 | 6.643423 | 6.7451 | 6.240303 | 6.867006 | 6.779447 | 7.027872 | 6.864996 | 6.52571 | 6.53324 | 6.497686 | 6.571055 | 6.622425 | 6.480778 | 6.489794 | 6.510235 | 6.70699 | 6.583866 | 6.675427 | 6.507384 | 6.58802 | 6.378145 | 7.153101 | 6.763574 | 6.753969 | 6.57938 | 6.650041 | 6.559944 | 6.597878 | 6.426414 | 6.495013 | 6.46843 | 6.74693 | 6.912863 | 6.683084 | 6.694682 | 6.411328 | 6.45187 | 6.434778 | 6.604348 | 6.172668 | 6.87667 | 6.439639 | 6.392417 | 6.603537 | 6.650769 | 6.849925 | 6.461302 | 6.696117 | 6.544461 | 6.748804 | 6.659471 | 6.326486 | 6.468926 | 6.535407 | 6.572115 | 6.831355 | 6.934656 | 6.371308 | 6.706024 | 7.000551 | 6.618532 | 6.509101 | 6.479617 | 6.541921 | 6.782706 | 6.542977 | 6.558075 | 6.69076 | 6.617904 | 6.767395 | 6.578825 | 6.607535 | 6.448085 | 6.718411 | 6.489152 | 6.635299 | 6.535774 | 6.831097 | 6.83042 | 6.605245 | 6.394521 | 6.641488 | 6.520195 | 6.515014 | 6.408376 | 6.424964 | 6.699848 | 6.759773 | 6.497919 | 6.58298 | 6.687239 | 6.797874 | 6.648227 | 6.570368 | 6.506175 | 6.571536 | 6.449173 | 6.512125 | 6.487124 | 6.67929 | 6.669434 | 6.500156 | 6.893435 | 6.619611 | 6.735118 | 6.496933 | 6.36282 | 6.699123 | 6.773392 | 6.800841 | 6.538917 | 6.80584 | 6.638006 | 6.76905 | 6.57578 | 6.84103 | 6.592204 | 6.830306 | 6.708315 | 6.73854 | 6.599783 | 6.799938 | 6.510071 | 6.644065 | 6.602687 | 6.787773 | 6.476321 | 6.71387 | 6.456658 | 6.749483 | 6.444241 | 6.567935 | 6.615284 | 6.631836 | 6.630493 | 6.607512 | 6.604252 | 6.458074 | 6.493944 | 6.510432 | 6.709689 | 6.559214 | 6.419724 | 6.667497 | 6.414218 | 6.581267 | 6.742973 | 6.549773 | 6.739831 | 6.773187 | 6.523698 | 6.496982 | 6.829013 | 6.418248 | 7.070159 | 6.566909 | 6.653502 | 6.557928 | 6.621578 | 6.642613 | 6.828869 | 6.263978 | 6.421595 | 6.611349 | 6.750278 | 6.474596 | 6.765581 | 6.647165 | 6.74014 | 6.625354 | 6.88678 | 6.507197 | 6.92053 | 6.450685 | 6.520542 | 6.87244 | 6.613927 | 6.66632 | 6.791567 | 6.48971 | 6.680908 | 6.519538 | 6.759852 | 6.57049 | 6.64106 | 6.70214 | 6.708762 | 6.734752 | 6.917027 | 6.793496 | 6.746241 | 6.61541 | 6.806451 | 6.558997 | 6.870676 | 6.58672 | 6.527318 | 6.374555 | 6.572545 | 6.622949 | 6.658349 | 6.952378 | 6.44994 | 6.811128 | 6.778213 | 6.722732 | 6.58548 | 6.855264 | 6.477518 | 6.767493 | 6.560985 | 6.575975 | 6.815307 | 6.467662 | 6.708453 | 6.432734 | 6.831866 | 6.736694 | 6.426176 | 6.805564 | 6.532491 | 6.869607 | 6.522717 | 6.897024 | 6.448973 | 6.497817 | 6.619151 | 6.504183 | 6.519281 | 6.575224 | 6.776976 | 6.373135 | 6.825888 | 6.890711 | 6.586024 | 6.677075 | 6.404593 | 6.425822 | 6.639578 | 6.658023 | 6.849802 | 6.7648 | 6.693256 | 6.588882 | 6.588598 | 6.460114 | 6.771118 | 6.472637 | 6.639816 | 6.65485 | 6.488428 | 6.613925 | 6.52931 | 6.58505 | 6.825971 | 6.635161 | 6.805652 | 6.564726 | 6.903326 | 6.519906 | 6.59053 | 6.970127 | 6.606698 | 6.748762 | 6.509159 | 6.456796 | 6.788842 | 6.604783 | 6.723171 | 6.54365 | 6.732252 | 6.924287 | 6.587746 | 6.707644 | 6.811641 | 6.624585 | 6.74743 | 6.491866 | 6.901632 | 6.602219 | 6.466057 | 6.55945 | 6.635683 | 6.597529 | 6.480265 | 6.420063 | 6.621539 | 6.667021 | 6.450986 | 6.533671 | 7.006143 | 6.78524 | 6.669908 | 7.021405 | 6.698847 | 6.663871 | 6.548643 | 7.148029 | 6.637022 | 6.590843 | 6.770888 | 6.494617 | 6.490856 | 6.50775 | 6.547294 | 6.921941 | 6.73208 | 6.570194 | 6.674278 | 6.636756 | 6.792742 | 6.536292 | [C][C][Branch1][C][C][C][=C][C][=Branch1][Branch1][=N][O][Ring1][Branch1][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][=C][C][=C][C][=Branch1][#Branch2][=C][C][Ring1][=Branch1][=N][C][=N][Ring1][#Branch2][O] | -0.334189 | Q92630 | P29376 | Q9UQB9 | 6.805564 | 7.153101 | 7.148029 |
CC#CC(=O)N1CCC[C@H1]1C2=NC(=C3N2C=CN=C3N)C4=CC=C(C=C4)C(=O)NC5=CC=CC=N5 | 7.487924 | 7.520935 | 7.671949 | 7.572833 | 7.645976 | 7.43881 | 7.554298 | 7.677448 | 7.512864 | 7.491415 | 7.560359 | 7.557209 | 7.425909 | 7.531417 | 7.442874 | 7.408971 | 7.482857 | 7.440302 | 7.46271 | 7.422451 | 7.473729 | 7.395534 | 7.535005 | 7.650707 | 7.452135 | 7.553341 | 7.58864 | 7.551709 | 7.564827 | 7.552481 | 7.613106 | 7.566664 | 7.470796 | 7.387011 | 7.506447 | 7.658595 | 7.640683 | 7.580134 | 7.595456 | 7.357351 | 7.629027 | 7.556198 | 7.623361 | 7.612318 | 7.431163 | 7.440386 | 7.366716 | 7.487833 | 7.460844 | 7.46443 | 7.586504 | 7.557429 | 7.479561 | 7.564173 | 7.467759 | 7.379416 | 7.64827 | 7.478068 | 7.727944 | 7.271141 | 7.466637 | 7.571229 | 7.615752 | 7.317822 | 7.646873 | 7.503037 | 7.575019 | 7.501609 | 7.522974 | 7.669973 | 7.666543 | 7.416371 | 7.285245 | 7.544723 | 7.435038 | 7.466817 | 7.420928 | 7.742589 | 7.593133 | 7.576662 | 7.597195 | 7.418898 | 7.579148 | 7.680154 | 7.572371 | 7.690545 | 7.477818 | 7.432633 | 7.504215 | 7.580915 | 7.436491 | 7.561609 | 7.524474 | 7.485628 | 7.608919 | 7.619378 | 7.50711 | 7.42718 | 7.471117 | 7.360658 | 7.722441 | 7.649079 | 7.494966 | 7.571644 | 7.562393 | 7.542885 | 7.644987 | 7.441334 | 7.472884 | 7.543106 | 7.497015 | 7.492013 | 7.526026 | 7.336999 | 7.468457 | 7.480649 | 7.443335 | 7.618327 | 7.381702 | 7.656931 | 7.494327 | 7.45963 | 7.589285 | 7.466866 | 7.615523 | 7.475123 | 7.453758 | 7.576715 | 7.594592 | 7.553897 | 7.519427 | 7.33736 | 7.461637 | 7.439507 | 7.643164 | 7.760704 | 7.553064 | 7.510026 | 7.742352 | 7.450559 | 7.458451 | 7.454398 | 7.561882 | 7.592381 | 7.517485 | 7.405887 | 7.48647 | 7.570421 | 7.648701 | 7.607842 | 7.432718 | 7.604141 | 7.530257 | 7.437895 | 7.4851 | 7.479584 | 7.591447 | 7.662795 | 7.46697 | 7.410662 | 7.635911 | 7.378077 | 7.322233 | 7.324347 | 7.371117 | 7.397364 | 7.489824 | 7.50382 | 7.575779 | 7.519917 | 7.606958 | 7.543509 | 7.387161 | 7.524128 | 7.483877 | 7.355762 | 7.334156 | 7.540603 | 7.500638 | 7.546715 | 7.566954 | 7.606615 | 7.519909 | 7.62715 | 7.510732 | 7.486546 | 7.557781 | 7.643041 | 7.538648 | 7.385738 | 7.585105 | 7.467776 | 7.427215 | 7.526261 | 7.611398 | 7.569205 | 7.580515 | 7.363919 | 7.644876 | 7.597433 | 7.544652 | 7.483455 | 7.557665 | 7.336184 | 7.530973 | 7.424243 | 7.520277 | 7.342184 | 7.644328 | 7.460223 | 7.674097 | 7.539644 | 7.515615 | 7.549909 | 7.537906 | 7.614585 | 7.503535 | 7.372485 | 7.524327 | 7.595206 | 7.612677 | 7.429625 | 7.572805 | 7.710707 | 7.547683 | 7.76123 | 7.536411 | 7.427284 | 7.648821 | 7.588843 | 7.419503 | 7.593659 | 7.513219 | 7.588655 | 7.626193 | 7.597636 | 7.429079 | 7.481128 | 7.545259 | 7.536262 | 7.438856 | 7.476636 | 7.439376 | 7.632621 | 7.545592 | 7.509461 | 7.482209 | 7.653644 | 7.473075 | 7.535013 | 7.52786 | 7.664021 | 7.506781 | 7.582708 | 7.635115 | 7.551791 | 7.63823 | 7.67943 | 7.525579 | 7.549718 | 7.551376 | 7.675317 | 7.538417 | 7.616783 | 7.565751 | 7.541084 | 7.514165 | 7.581258 | 7.632443 | 7.682531 | 7.587069 | 7.509975 | 7.571227 | 7.505275 | 7.453669 | 7.437488 | 7.497598 | 7.685108 | 7.553479 | 7.614796 | 7.652625 | 7.558884 | 7.479961 | 7.611419 | 7.498947 | 7.574341 | 7.668993 | 7.525725 | 7.529366 | 7.591006 | 7.654976 | 7.774894 | 7.572265 | 7.733759 | 7.409646 | 7.607306 | 7.557641 | 7.578686 | 7.448549 | 7.407837 | 7.6971 | 7.607822 | 7.760619 | 7.676539 | 7.621614 | 7.633837 | 7.483823 | 7.669882 | 7.59389 | 7.607625 | 7.549345 | 7.585009 | 7.628477 | 7.404969 | 7.568228 | 7.559138 | 7.517854 | 7.538417 | 7.612985 | 7.616644 | 7.690485 | 7.712075 | 7.458039 | 7.593953 | 7.366778 | 7.545208 | 7.489103 | 7.64243 | 7.514853 | 7.651898 | 7.602664 | 7.618533 | 7.55791 | 7.584796 | 7.530838 | 7.533608 | 7.580824 | 7.533578 | 7.489487 | 7.629653 | 7.667757 | 7.447357 | 7.715914 | 7.530699 | 7.566119 | 7.593732 | 7.45296 | 7.423735 | 7.438437 | 7.663263 | 7.679209 | 7.690672 | 7.55184 | 7.560696 | 7.509681 | 7.523117 | 7.579031 | 7.659441 | 7.580876 | 7.487344 | 7.545737 | 7.598989 | 7.488511 | 7.4313 | 7.439222 | 7.45235 | 7.562936 | 7.41871 | 7.569345 | 7.642251 | 7.533165 | 7.605901 | 7.709339 | 7.452023 | 7.553314 | 7.532646 | 7.771684 | 7.549325 | 7.584753 | 7.775634 | 7.591833 | 7.559912 | 7.44437 | 7.482451 | 7.518441 | 7.583122 | 7.50007 | 7.60727 | 7.581031 | 7.657296 | 7.470832 | [C][C][#C][C][=Branch1][C][=O][N][C][C][C][C@H1][Ring1][Branch1][C][=N][C][=Branch1][N][=C][N][Ring1][Branch1][C][=C][N][=C][Ring1][=Branch1][N][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][=N][Ring1][=Branch1] | -0.315899 | Q92630 | Q9Y2H1 | Q8TDR2 | 7.448549 | 7.775634 | 7.774894 |
CC#CC(=O)N1CCC[C@H1]1C2=NC(=C3N2C=CN=C3N)C=CC=C | 8.093361 | 8.22393 | 8.045221 | 7.865129 | 8.21577 | 8.019306 | 7.92443 | 8.121498 | 8.022648 | 7.506356 | 7.911092 | 8.216116 | 7.956764 | 8.26285 | 8.001405 | 7.540414 | 7.904436 | 8.039153 | 7.799984 | 7.818228 | 7.894121 | 7.705325 | 7.864123 | 8.319435 | 7.865072 | 8.072814 | 8.239632 | 8.109062 | 8.033985 | 8.091975 | 8.012995 | 7.909866 | 7.97188 | 7.991312 | 8.048038 | 7.977789 | 8.114348 | 7.938929 | 8.131623 | 8.064181 | 8.275764 | 8.117947 | 8.544107 | 8.208858 | 7.586623 | 7.730958 | 7.676515 | 8.051936 | 7.957549 | 7.746108 | 7.981287 | 7.934623 | 8.043045 | 8.008531 | 7.928625 | 7.844249 | 8.119476 | 7.942329 | 8.276423 | 7.144465 | 7.824072 | 8.169168 | 8.272675 | 7.505836 | 8.340571 | 7.933531 | 8.284998 | 7.890363 | 7.929603 | 8.142074 | 8.189505 | 8.048319 | 7.32685 | 7.839647 | 7.746702 | 7.99468 | 7.449713 | 8.302542 | 8.018861 | 7.890659 | 7.966099 | 8.01261 | 8.152232 | 8.347736 | 7.965914 | 8.250445 | 8.143847 | 7.894775 | 8.299637 | 7.868297 | 7.887364 | 8.100451 | 7.990807 | 7.991488 | 7.934937 | 8.166887 | 8.039657 | 8.031889 | 8.02166 | 7.94781 | 8.033607 | 8.303408 | 7.958694 | 8.291147 | 8.381988 | 8.198561 | 8.153821 | 8.179302 | 7.89618 | 8.101173 | 7.686832 | 7.705804 | 7.978801 | 7.445507 | 8.274036 | 8.03382 | 8.006521 | 8.165298 | 8.099421 | 8.12476 | 8.045846 | 8.142945 | 8.333328 | 7.747777 | 8.181758 | 8.17749 | 7.665141 | 8.222078 | 8.308146 | 8.136647 | 7.851017 | 7.44156 | 7.900238 | 7.817304 | 8.004375 | 8.072058 | 7.993202 | 7.727555 | 8.040205 | 7.785803 | 7.890997 | 7.795127 | 7.81848 | 7.866057 | 7.913617 | 7.92345 | 7.93441 | 8.012153 | 8.160124 | 8.245299 | 7.766518 | 7.990206 | 7.899519 | 7.785726 | 7.941092 | 8.050582 | 7.955393 | 8.12711 | 8.021261 | 7.722114 | 8.144849 | 8.014632 | 7.841794 | 7.870135 | 7.929208 | 7.905434 | 7.874187 | 7.922916 | 7.9316 | 7.993598 | 7.920742 | 7.952059 | 7.925037 | 8.019667 | 8.163798 | 7.845341 | 7.717396 | 7.914902 | 8.038858 | 8.112761 | 7.926884 | 8.119309 | 8.106612 | 7.846307 | 8.050999 | 8.145128 | 7.84486 | 8.182154 | 8.053942 | 7.966037 | 8.148245 | 7.801301 | 7.735397 | 8.261436 | 7.825186 | 7.973941 | 8.228327 | 7.629706 | 8.160074 | 8.071777 | 7.907362 | 8.107157 | 8.034708 | 7.60638 | 7.956391 | 7.970288 | 7.955119 | 7.686222 | 8.197204 | 7.863392 | 8.236553 | 7.627572 | 7.591044 | 7.819306 | 8.056902 | 8.219823 | 8.110527 | 7.922843 | 7.822477 | 8.009768 | 8.057201 | 8.01833 | 8.214197 | 8.191941 | 7.915868 | 8.171851 | 8.501163 | 7.855649 | 8.29284 | 8.324445 | 7.665199 | 8.054693 | 8.041862 | 8.104627 | 7.758194 | 7.886384 | 7.894255 | 7.875843 | 7.902236 | 7.732239 | 7.929489 | 8.034811 | 7.900299 | 7.940243 | 7.981799 | 7.727323 | 7.680345 | 8.194154 | 7.911555 | 7.900239 | 7.953232 | 8.238008 | 8.295959 | 8.273705 | 8.187945 | 7.938803 | 8.11125 | 8.229477 | 8.158887 | 7.881912 | 8.112429 | 8.206668 | 8.043427 | 8.001989 | 7.965658 | 8.027899 | 8.121892 | 8.169355 | 8.330729 | 8.208869 | 7.945684 | 7.782185 | 7.956295 | 7.786533 | 7.645951 | 7.971299 | 7.930284 | 8.281209 | 8.153664 | 8.176188 | 8.045333 | 7.980223 | 7.908681 | 8.013488 | 7.692488 | 7.954639 | 8.074366 | 7.968657 | 8.028056 | 8.167519 | 8.263448 | 8.367019 | 7.986688 | 8.261426 | 7.918776 | 8.129792 | 7.897095 | 8.1129 | 7.771601 | 7.84066 | 8.163507 | 8.211057 | 8.23114 | 8.176976 | 7.980229 | 7.964624 | 7.874684 | 8.403609 | 8.005472 | 8.064347 | 7.968904 | 8.072948 | 8.227053 | 7.908591 | 8.283786 | 8.103545 | 8.112785 | 7.972738 | 8.004814 | 8.150949 | 8.091822 | 8.166348 | 7.666298 | 8.30494 | 7.791215 | 7.862556 | 7.946135 | 8.034883 | 7.920756 | 8.042912 | 8.007318 | 8.040897 | 7.842691 | 7.865065 | 7.880056 | 7.788919 | 8.117075 | 7.843007 | 7.93968 | 8.232628 | 8.204146 | 7.72629 | 8.244655 | 8.124681 | 8.024594 | 7.979234 | 7.747711 | 7.767732 | 8.073186 | 8.077091 | 8.211394 | 8.116517 | 8.114468 | 8.023635 | 7.687186 | 7.974213 | 8.185127 | 8.049442 | 7.983691 | 7.958223 | 7.915449 | 8.171335 | 8.073131 | 8.126544 | 8.121237 | 8.09271 | 8.136126 | 7.930652 | 8.199889 | 7.933057 | 8.131008 | 8.076493 | 8.154479 | 7.988705 | 7.890778 | 7.927624 | 8.025241 | 7.770366 | 8.360215 | 8.179788 | 7.982784 | 7.972991 | 7.914974 | 8.070952 | 7.716951 | 8.379581 | 8.153486 | 7.915798 | 8.217245 | 7.992427 | 8.059496 | [C][C][#C][C][=Branch1][C][=O][N][C][C][C][C@H1][Ring1][Branch1][C][=N][C][=Branch1][N][=C][N][Ring1][Branch1][C][=C][N][=C][Ring1][=Branch1][N][C][=C][C][=C] | -0.648385 | Q92630 | P04626 | Q15303 | 7.771601 | 8.544107 | 8.501163 |
CC(C)C1=CC=CC(=N1)NC2=C(C=NC(=N2)NC3=CC=C(C=C3)N4CCN(CC4)C)C=O | 7.420584 | 7.457934 | 7.938744 | 7.729753 | 7.467866 | 7.379132 | 7.538444 | 7.718235 | 7.533401 | 7.54396 | 7.425238 | 7.443398 | 7.21671 | 7.75848 | 7.720787 | 7.426759 | 7.561457 | 7.376279 | 7.528438 | 7.518665 | 7.612027 | 7.173525 | 7.41453 | 7.810995 | 7.435326 | 7.461442 | 7.456072 | 7.536803 | 7.42959 | 7.709576 | 7.672697 | 7.727033 | 7.59983 | 7.574025 | 7.300065 | 7.540334 | 7.686942 | 7.433696 | 7.523085 | 7.472639 | 7.681436 | 7.878773 | 7.487621 | 7.925467 | 7.234343 | 7.321547 | 7.409063 | 7.504499 | 7.468851 | 7.433531 | 7.459256 | 7.615569 | 7.677114 | 7.634611 | 7.598425 | 7.386456 | 7.834165 | 7.650412 | 7.560877 | 7.602173 | 7.490047 | 7.639256 | 7.926261 | 7.419065 | 7.769788 | 7.545163 | 7.665105 | 7.562037 | 7.664066 | 8.031423 | 7.643761 | 7.482809 | 7.513188 | 7.379328 | 7.444553 | 7.713716 | 7.69366 | 7.606568 | 7.616241 | 7.497972 | 7.610147 | 7.484736 | 7.679804 | 7.583781 | 7.8807 | 7.581329 | 7.721921 | 7.62557 | 7.584025 | 7.508155 | 7.369558 | 7.627468 | 7.479398 | 7.485505 | 7.526201 | 7.596048 | 7.538736 | 7.682067 | 7.514187 | 7.542755 | 7.68546 | 7.6917 | 7.639046 | 7.549466 | 7.571068 | 7.554791 | 7.749998 | 7.414863 | 7.535706 | 7.581775 | 7.748351 | 7.645955 | 7.352215 | 7.603014 | 7.295964 | 7.526456 | 7.431677 | 7.503173 | 7.415298 | 7.629624 | 7.470942 | 7.498979 | 7.712057 | 7.645639 | 7.705699 | 7.608164 | 7.623103 | 7.600245 | 7.674541 | 7.738693 | 7.425285 | 7.345845 | 7.367819 | 7.674803 | 7.675637 | 7.545586 | 7.415204 | 7.606458 | 7.606722 | 7.585584 | 7.568429 | 7.344549 | 7.534727 | 7.53758 | 7.374246 | 7.511322 | 7.737547 | 7.677957 | 7.794533 | 7.577002 | 7.3498 | 7.479274 | 7.770053 | 7.654941 | 7.277534 | 7.299188 | 7.771834 | 7.798234 | 7.450576 | 7.22646 | 7.570388 | 7.471472 | 7.484897 | 7.388361 | 7.498311 | 7.657913 | 7.710709 | 7.608059 | 7.604173 | 7.649168 | 7.501007 | 7.632564 | 7.50134 | 7.453013 | 7.472876 | 7.408082 | 7.49378 | 7.626372 | 7.468458 | 7.559452 | 7.572555 | 7.636647 | 7.590386 | 7.686147 | 7.163068 | 7.430184 | 7.394907 | 7.864307 | 7.736581 | 7.54725 | 7.770853 | 7.544456 | 7.437847 | 7.544203 | 7.547034 | 7.513027 | 7.58883 | 7.333712 | 7.587739 | 7.380973 | 7.531283 | 7.494256 | 7.447491 | 7.295191 | 7.443939 | 7.274801 | 7.276024 | 7.174562 | 7.622315 | 7.459836 | 7.713568 | 7.559233 | 7.594725 | 7.578145 | 7.572455 | 7.492045 | 7.355254 | 7.446903 | 7.194903 | 7.713915 | 7.207224 | 7.483764 | 7.44183 | 7.886426 | 7.572524 | 7.788956 | 7.426287 | 7.665502 | 7.736385 | 7.643725 | 7.375257 | 7.694852 | 7.588225 | 7.971872 | 7.44379 | 7.694089 | 7.211317 | 7.56782 | 7.501602 | 7.795845 | 7.256019 | 7.39788 | 7.635759 | 7.513328 | 7.329344 | 7.574458 | 7.601631 | 7.691626 | 7.391935 | 7.717288 | 7.650743 | 7.670864 | 7.464746 | 7.519185 | 7.614969 | 7.356138 | 7.498266 | 7.894802 | 7.595231 | 7.355921 | 7.600723 | 7.623614 | 7.627951 | 7.595412 | 7.530889 | 7.562308 | 7.724872 | 7.711733 | 7.750708 | 7.739919 | 7.2677 | 7.543931 | 7.094558 | 7.217711 | 7.603809 | 7.262268 | 7.477353 | 7.518714 | 7.57791 | 7.787212 | 7.534271 | 7.347015 | 7.448026 | 7.686056 | 7.53043 | 7.623558 | 7.612753 | 7.758435 | 7.555717 | 7.486008 | 7.49394 | 7.791998 | 7.455367 | 7.617908 | 7.30555 | 7.701046 | 7.411013 | 7.673692 | 7.291117 | 7.586327 | 7.728859 | 7.676804 | 7.789203 | 7.618647 | 7.587988 | 7.435358 | 7.351644 | 7.733003 | 7.358324 | 7.663602 | 7.4177 | 7.69586 | 7.868145 | 7.536242 | 7.45714 | 7.589603 | 7.48843 | 7.733887 | 7.764544 | 7.568641 | 7.821851 | 7.800443 | 7.623643 | 7.789633 | 7.155715 | 7.399117 | 7.606072 | 7.488035 | 7.592056 | 7.676555 | 7.659709 | 7.550585 | 7.413645 | 7.696776 | 7.543365 | 7.601224 | 7.493737 | 7.563906 | 7.638119 | 7.462502 | 7.808234 | 7.524952 | 7.792104 | 7.5112 | 7.498984 | 7.484689 | 7.410853 | 7.338965 | 7.421751 | 7.717959 | 7.961811 | 7.734962 | 7.486171 | 7.616515 | 7.555229 | 7.699709 | 7.604968 | 7.717864 | 7.497496 | 7.602058 | 7.423748 | 7.444214 | 7.471952 | 7.406898 | 7.513638 | 7.359157 | 7.74483 | 7.529025 | 7.363733 | 7.53452 | 7.733896 | 7.588957 | 7.679745 | 7.628051 | 7.494289 | 7.528053 | 7.681497 | 7.637735 | 7.438528 | 7.752804 | 7.615675 | 7.592577 | 7.511872 | 7.447337 | 7.261466 | 7.684532 | 7.504355 | 7.593483 | 7.377862 | 7.508341 | 7.465096 | [C][C][Branch1][C][C][C][=C][C][=C][C][=Branch1][Ring2][=N][Ring1][=Branch1][N][C][=C][Branch2][Ring1][#C][C][=N][C][=Branch1][Ring2][=N][Ring1][=Branch1][N][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][N][C][C][N][Branch1][Branch1][C][C][Ring1][=Branch1][C][C][=O] | -0.62933 | Q92630 | P15056 | Q16288 | 7.291117 | 8.031423 | 7.971872 |
CC1=CC=CC=C1N2C=C(C=N2)C(=O)C | 5.377492 | 4.77219 | 5.376185 | 5.019749 | 4.824632 | 4.956304 | 4.848643 | 5.984626 | 4.856395 | 5.539032 | 4.779494 | 4.633313 | 4.711729 | 5.889133 | 4.817576 | 4.671535 | 5.270452 | 4.978422 | 5.297852 | 4.910717 | 4.879126 | 4.977369 | 5.98926 | 4.515951 | 4.540356 | 5.017146 | 5.034902 | 4.886584 | 4.667308 | 5.186553 | 5.203237 | 5.246905 | 6.0943 | 4.604985 | 4.965837 | 4.743093 | 4.662558 | 4.696134 | 4.889845 | 4.68034 | 5.872393 | 5.061706 | 4.704983 | 5.270101 | 4.459686 | 4.534945 | 5.104759 | 4.712219 | 4.887963 | 6.11205 | 5.103436 | 6.039819 | 4.820309 | 4.616668 | 4.987919 | 5.156442 | 5.520975 | 4.854177 | 4.984546 | 5.208229 | 4.749956 | 4.917035 | 4.66274 | 5.932886 | 5.795881 | 5.062112 | 4.84524 | 4.894488 | 4.983901 | 5.505874 | 4.818197 | 4.813689 | 5.457222 | 4.987014 | 4.495245 | 4.744588 | 5.978825 | 5.077835 | 5.122774 | 5.055412 | 5.042264 | 4.611005 | 5.521896 | 4.842931 | 5.042453 | 5.112856 | 4.653525 | 4.668222 | 4.873362 | 5.193921 | 6.247955 | 4.603537 | 4.498246 | 5.108868 | 5.015873 | 4.700986 | 4.726105 | 4.456819 | 4.534369 | 4.568939 | 5.249013 | 4.923607 | 4.633494 | 4.465225 | 4.588196 | 4.806974 | 4.730267 | 4.74376 | 5.059156 | 4.627512 | 5.977258 | 6.012789 | 4.810771 | 6.153521 | 4.829406 | 4.758646 | 4.74477 | 4.839613 | 4.666095 | 5.322186 | 4.81162 | 4.481289 | 4.940726 | 4.807768 | 4.948796 | 4.754313 | 4.719198 | 4.677255 | 4.56975 | 5.291857 | 5.087196 | 5.015319 | 5.017395 | 4.613561 | 4.544207 | 4.801994 | 4.71336 | 5.557007 | 4.849538 | 4.985744 | 4.716612 | 4.81757 | 5.299637 | 5.588476 | 5.112471 | 5.048621 | 4.800576 | 5.490461 | 4.90519 | 5.012006 | 4.782866 | 4.843162 | 6.053556 | 4.554049 | 4.568958 | 4.866733 | 5.908031 | 6.088514 | 4.74876 | 4.899884 | 4.720615 | 4.590656 | 4.478985 | 4.504673 | 4.57518 | 4.511333 | 5.354826 | 4.658574 | 5.210586 | 4.510993 | 4.595932 | 4.942353 | 5.651111 | 4.973291 | 4.896927 | 6.007757 | 5.759212 | 5.390663 | 4.728131 | 5.203968 | 5.633652 | 6.060352 | 4.90036 | 4.961492 | 4.768678 | 4.395473 | 4.632559 | 4.753124 | 5.175149 | 5.392543 | 5.992818 | 4.970089 | 4.875063 | 4.439827 | 4.857027 | 4.920477 | 4.946559 | 4.807928 | 4.75571 | 4.768689 | 4.751758 | 5.07011 | 4.730076 | 4.808907 | 4.735797 | 4.936923 | 4.805369 | 4.673027 | 5.047389 | 5.037526 | 6.183098 | 5.988255 | 5.94702 | 5.94146 | 5.054809 | 4.639757 | 4.562238 | 4.944905 | 4.957472 | 5.046782 | 4.768363 | 4.724009 | 5.059019 | 5.912449 | 5.050172 | 5.371973 | 4.663033 | 4.429945 | 4.96417 | 4.673016 | 4.86703 | 4.388859 | 4.751043 | 5.925805 | 4.523836 | 4.491366 | 4.683991 | 6.04889 | 5.136868 | 4.587708 | 4.631132 | 4.845983 | 5.573432 | 5.112382 | 4.833216 | 4.881743 | 6.072688 | 4.989971 | 4.965749 | 5.727981 | 5.592733 | 4.823052 | 4.585629 | 4.803543 | 4.720647 | 4.747024 | 5.040422 | 5.920801 | 4.905759 | 4.93173 | 4.646262 | 4.815499 | 4.805634 | 4.886361 | 4.659271 | 5.079566 | 6.048059 | 5.557079 | 5.981099 | 5.53239 | 4.960692 | 5.262858 | 4.969505 | 5.015636 | 4.862516 | 5.013113 | 4.829781 | 5.272409 | 6.081784 | 5.188978 | 4.686152 | 4.583363 | 5.181805 | 5.147259 | 5.161863 | 5.206428 | 4.645305 | 4.429657 | 5.029298 | 4.9042 | 5.536363 | 4.560339 | 4.559278 | 4.994578 | 4.618965 | 5.261386 | 4.807049 | 4.7916 | 5.213261 | 5.036936 | 4.942103 | 5.342241 | 5.708285 | 4.905841 | 4.894269 | 4.791892 | 4.800101 | 5.967485 | 4.960523 | 6.151656 | 4.907627 | 6.062492 | 4.668431 | 4.853374 | 4.708816 | 4.745354 | 4.888584 | 4.838309 | 4.743948 | 4.840667 | 5.207138 | 5.950076 | 5.078308 | 4.485135 | 4.75663 | 5.028839 | 4.860522 | 4.431584 | 5.35556 | 6.088307 | 4.972295 | 4.820036 | 4.767315 | 4.970253 | 4.839211 | 5.231234 | 4.824918 | 5.290597 | 4.70566 | 4.880958 | 4.988405 | 5.397576 | 5.999174 | 5.337142 | 4.662594 | 4.602054 | 4.810543 | 5.032339 | 4.907594 | 4.788887 | 5.434172 | 5.628054 | 5.081436 | 4.868074 | 4.588346 | 4.758477 | 4.63987 | 5.114003 | 5.028352 | 5.573776 | 4.754911 | 4.790006 | 4.980161 | 4.827083 | 5.232366 | 5.06043 | 4.346227 | 4.69371 | 4.824347 | 4.87062 | 6.039014 | 4.587024 | 4.873091 | 4.707286 | 4.862019 | 5.247153 | 5.298666 | 6.042065 | 4.749642 | 4.720104 | 4.326014 | 5.434201 | 4.564463 | 5.012971 | 5.023774 | 5.076687 | 4.653094 | 5.120133 | 4.798708 | 4.529294 | 4.628045 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=C][Branch1][Branch1][C][=N][Ring1][Branch1][C][=Branch1][C][=O][C] | -0.775784 | Q92630 | P24941 | Q13546 | 5.213261 | 6.247955 | 6.183098 |
CN1C(=C(C=N1)Cl)C=2C=C(SC=2Cl)C(=O)N[C@@H1]CC | 5.052248 | 4.624673 | 6.298223 | 5.295593 | 4.959146 | 4.677498 | 5.090207 | 4.654092 | 4.719957 | 4.901888 | 4.810989 | 4.964824 | 4.840998 | 4.917023 | 4.681247 | 5.110412 | 4.755134 | 5.272723 | 4.889408 | 4.862772 | 4.532017 | 4.86561 | 4.980079 | 4.882219 | 4.960467 | 5.25392 | 4.802679 | 4.998917 | 4.796177 | 5.11648 | 5.15188 | 4.982869 | 5.017774 | 4.771917 | 5.000826 | 4.928894 | 4.850579 | 5.055651 | 5.070927 | 4.724997 | 4.658231 | 4.794852 | 4.870537 | 5.025306 | 4.908018 | 4.845886 | 4.517625 | 5.265207 | 5.114575 | 4.857699 | 5.061631 | 5.324608 | 5.095162 | 5.352098 | 5.156466 | 4.654203 | 4.946515 | 5.08574 | 5.076899 | 4.785003 | 5.224279 | 5.000597 | 4.840707 | 5.442234 | 6.279679 | 5.014279 | 4.804407 | 5.135699 | 4.546305 | 4.80324 | 5.105961 | 4.718716 | 5.366438 | 5.052243 | 4.88812 | 4.912515 | 4.869843 | 5.159975 | 5.198504 | 4.801405 | 4.854342 | 4.825944 | 4.837224 | 4.789087 | 5.096216 | 5.069739 | 4.697655 | 4.889617 | 4.814744 | 4.969739 | 5.151315 | 5.053812 | 4.785365 | 4.741225 | 5.127914 | 4.772349 | 4.710841 | 4.616324 | 4.651149 | 4.60041 | 5.062385 | 5.133036 | 4.99102 | 4.841317 | 4.834854 | 5.029351 | 5.054111 | 5.062204 | 4.960388 | 5.046101 | 4.92331 | 5.139399 | 5.039567 | 4.87717 | 4.601316 | 4.748334 | 4.641131 | 4.840347 | 4.73565 | 5.074429 | 4.772076 | 4.938883 | 5.002841 | 5.106053 | 4.905452 | 4.769283 | 5.180441 | 4.800928 | 4.698649 | 5.089365 | 4.964567 | 5.155705 | 5.106526 | 4.818309 | 5.079967 | 4.855916 | 4.706269 | 4.75137 | 4.971951 | 5.219426 | 4.898904 | 5.001119 | 4.810081 | 4.975658 | 4.996291 | 4.980435 | 5.337717 | 5.074979 | 5.054706 | 4.80491 | 5.10012 | 5.099384 | 5.106248 | 4.880696 | 4.541491 | 5.14979 | 5.049506 | 5.067855 | 5.012815 | 4.802921 | 5.114612 | 4.373512 | 4.60766 | 4.33932 | 4.626509 | 4.771185 | 5.241528 | 4.990012 | 5.153351 | 5.070345 | 4.947232 | 4.90549 | 5.175672 | 4.810334 | 4.751531 | 5.125566 | 4.941754 | 4.862767 | 5.212909 | 4.948747 | 5.117126 | 4.924632 | 4.726929 | 4.921445 | 4.769211 | 4.709967 | 5.02371 | 4.980086 | 4.835696 | 4.939835 | 4.841211 | 5.123466 | 4.982856 | 4.57335 | 5.217724 | 5.188096 | 5.139183 | 4.910424 | 5.17976 | 4.880335 | 5.059025 | 4.990567 | 4.902157 | 4.968612 | 4.927753 | 5.19155 | 4.789681 | 4.765653 | 5.138235 | 5.358656 | 5.071891 | 4.9627 | 4.953124 | 5.116244 | 5.741926 | 4.811892 | 4.515318 | 4.713748 | 5.16083 | 4.736224 | 4.932561 | 5.004408 | 4.906428 | 5.260881 | 5.091725 | 4.990269 | 4.947947 | 4.794239 | 5.005646 | 5.032094 | 5.299809 | 5.162118 | 4.745389 | 5.32567 | 4.964528 | 5.005005 | 4.991457 | 4.975347 | 4.958345 | 5.176702 | 4.926448 | 5.10884 | 4.737218 | 5.052428 | 5.077902 | 5.17182 | 4.947854 | 5.08067 | 4.724401 | 5.850654 | 5.177778 | 5.215592 | 4.743732 | 4.856843 | 5.194022 | 4.863255 | 5.112059 | 5.147017 | 5.087364 | 5.017534 | 4.824989 | 5.184502 | 4.851637 | 5.122457 | 4.745055 | 5.164093 | 4.671264 | 4.899667 | 6.222798 | 4.996254 | 5.157382 | 5.488849 | 4.954386 | 5.141271 | 4.911271 | 4.820134 | 5.144892 | 5.145639 | 5.225229 | 5.09735 | 4.897615 | 4.794314 | 5.088552 | 5.176 | 5.2771 | 5.157674 | 4.87633 | 5.017112 | 5.142118 | 4.900062 | 5.132102 | 5.116978 | 5.002557 | 5.258263 | 5.052468 | 4.881186 | 5.011856 | 5.102967 | 5.061917 | 4.911905 | 5.16018 | 5.103109 | 4.907725 | 4.894419 | 5.087618 | 5.062572 | 5.308492 | 4.958385 | 5.089799 | 4.848893 | 5.142235 | 4.950171 | 5.012058 | 5.112666 | 4.95841 | 4.950746 | 4.862458 | 5.010309 | 5.152737 | 5.137457 | 4.907682 | 5.124355 | 4.410858 | 4.79608 | 5.246144 | 5.065432 | 4.78465 | 5.049369 | 5.045253 | 5.029624 | 5.092375 | 5.168583 | 5.111279 | 5.491145 | 4.827715 | 5.525474 | 5.284523 | 5.432208 | 4.793692 | 5.086076 | 5.291165 | 5.517168 | 5.10463 | 5.048985 | 4.969655 | 4.985315 | 4.916251 | 5.285028 | 4.721462 | 4.89977 | 5.057541 | 4.998702 | 4.865143 | 5.065841 | 4.942363 | 4.70253 | 4.97292 | 5.249776 | 5.128299 | 5.182291 | 5.080247 | 5.099669 | 5.049359 | 4.703457 | 5.06526 | 4.992706 | 4.777822 | 4.933269 | 5.039629 | 5.072521 | 4.717577 | 4.672085 | 4.961699 | 4.999025 | 4.890187 | 4.864414 | 5.065465 | 5.063147 | 4.93486 | 4.933022 | 5.083919 | 4.986654 | 4.865602 | 5.263597 | 5.076588 | 4.912469 | 4.691301 | 5.089684 | 4.974515 | 4.972445 | 4.739634 | [C][N][C][=Branch1][=Branch2][=C][Branch1][Branch1][C][=N][Ring1][Branch1][Cl][C][C][=C][Branch1][=Branch1][S][C][=Ring1][Branch1][Cl][C][=Branch1][C][=O][N][C@@H1][C][C] | -0.844399 | Q92630 | O00311 | P11309 | 5.061917 | 6.298223 | 6.279679 |
C[C@@H1]C=NC1=CC=CC=C1C(=O)N | 4.753346 | 5.09346 | 5.345731 | 4.863452 | 5.222058 | 4.896852 | 5.652109 | 4.738576 | 5.124391 | 4.987596 | 4.748529 | 4.689328 | 4.916946 | 5.076855 | 4.536876 | 4.803295 | 4.389624 | 5.526276 | 4.651947 | 4.682484 | 4.47488 | 4.897535 | 4.901036 | 5.382854 | 5.12095 | 5.538765 | 5.763587 | 5.18661 | 4.355951 | 4.608384 | 5.145619 | 4.830859 | 4.928184 | 4.589396 | 5.922469 | 5.889172 | 4.673265 | 4.784741 | 5.013342 | 4.735094 | 4.47439 | 4.643855 | 4.623557 | 5.262188 | 4.610723 | 4.53338 | 4.803315 | 4.506489 | 4.727996 | 4.906063 | 5.724885 | 6.191161 | 4.62066 | 4.80471 | 4.984594 | 4.910262 | 4.689165 | 4.748915 | 5.358337 | 5.307594 | 4.644531 | 5.375004 | 4.591217 | 5.739937 | 4.427958 | 5.91362 | 4.917469 | 4.622556 | 4.765858 | 4.644349 | 4.980515 | 4.683533 | 5.526621 | 5.556901 | 4.594685 | 4.658819 | 5.670334 | 5.853396 | 5.512554 | 5.059568 | 4.8963 | 4.439637 | 5.677474 | 5.752105 | 6.09048 | 5.542078 | 4.552852 | 4.623376 | 4.936376 | 5.687638 | 5.151647 | 4.988598 | 4.511796 | 5.073421 | 4.620092 | 5.080709 | 4.788668 | 4.4315 | 4.751029 | 4.376376 | 5.733717 | 5.400734 | 4.983528 | 4.128115 | 4.443594 | 4.929645 | 4.391134 | 4.8826 | 4.947253 | 4.879718 | 5.364475 | 5.361008 | 5.060969 | 5.345667 | 5.057202 | 4.934678 | 4.819586 | 5.248177 | 4.594762 | 5.433072 | 4.770123 | 4.729968 | 4.960779 | 5.136573 | 5.347609 | 4.918096 | 4.972878 | 5.076344 | 4.94463 | 5.660254 | 5.269186 | 5.106274 | 4.85234 | 4.704089 | 4.607664 | 5.7957 | 4.73935 | 5.305138 | 5.822303 | 5.469701 | 4.577475 | 4.845876 | 5.365003 | 5.519303 | 4.906137 | 4.902601 | 5.076418 | 5.710943 | 5.107138 | 4.655225 | 4.860886 | 5.15732 | 4.71583 | 4.602881 | 4.367208 | 5.197749 | 5.647086 | 5.641318 | 4.876894 | 4.976529 | 4.597101 | 4.559831 | 4.455838 | 4.493862 | 4.534767 | 4.610362 | 5.428193 | 4.670615 | 5.272608 | 4.923758 | 5.015117 | 4.883954 | 4.935666 | 4.728433 | 4.878307 | 5.333058 | 4.743845 | 4.327511 | 5.184064 | 5.131194 | 4.937975 | 4.845243 | 5.345616 | 5.20217 | 5.022017 | 4.397683 | 4.447397 | 5.096992 | 5.19348 | 4.708922 | 5.078105 | 5.023066 | 5.294604 | 4.555218 | 5.354818 | 5.124481 | 5.292199 | 5.392347 | 4.792758 | 4.509504 | 5.800975 | 5.392947 | 4.52759 | 5.173525 | 5.038004 | 5.101217 | 4.951406 | 4.813748 | 5.303516 | 5.40345 | 4.556582 | 4.668575 | 4.785021 | 5.300553 | 5.378024 | 4.738389 | 4.719995 | 4.781533 | 5.103166 | 5.352975 | 4.712763 | 5.011562 | 5.253014 | 4.941238 | 5.061169 | 4.68802 | 4.695032 | 4.563333 | 5.709745 | 4.686447 | 4.92256 | 4.426414 | 4.456161 | 4.739908 | 4.448304 | 4.466527 | 4.84536 | 4.602652 | 5.095624 | 4.608417 | 4.686409 | 5.18639 | 4.81214 | 5.129166 | 4.866926 | 5.197084 | 4.728843 | 5.303735 | 4.960316 | 6.116302 | 5.161092 | 5.205602 | 4.60829 | 4.96769 | 5.074031 | 4.494565 | 5.527503 | 4.619606 | 4.845099 | 5.427278 | 4.755711 | 5.26572 | 4.99387 | 4.57355 | 4.711467 | 5.080699 | 4.540843 | 5.124012 | 4.880482 | 5.472131 | 4.7856 | 5.676775 | 4.773462 | 5.656365 | 5.038384 | 5.06265 | 5.388122 | 4.925427 | 5.394701 | 5.087329 | 5.570164 | 5.090832 | 5.227155 | 4.671512 | 5.224835 | 5.254396 | 5.626915 | 4.328078 | 4.946582 | 4.736992 | 4.999275 | 5.677674 | 5.049357 | 5.252024 | 4.621857 | 5.441459 | 5.506238 | 4.598987 | 5.366493 | 4.869629 | 4.953392 | 4.561958 | 5.099804 | 5.066107 | 4.710519 | 4.659369 | 5.023859 | 4.779272 | 5.376899 | 4.605423 | 4.821368 | 4.895597 | 5.420933 | 4.660542 | 6.019602 | 4.493969 | 4.944728 | 4.761429 | 5.022409 | 5.479377 | 5.26833 | 4.923291 | 4.945618 | 4.7101 | 5.078253 | 5.056677 | 4.636453 | 4.514517 | 5.179271 | 5.375049 | 4.673876 | 4.757388 | 4.601954 | 5.659468 | 4.833342 | 5.74093 | 4.917692 | 5.783823 | 4.803916 | 5.182349 | 5.580109 | 5.824574 | 5.304763 | 4.713013 | 4.872058 | 4.931283 | 4.750093 | 5.400877 | 4.970653 | 4.99268 | 5.900966 | 5.027334 | 4.706204 | 5.510113 | 4.665036 | 5.693336 | 4.771091 | 6.159936 | 4.537494 | 4.684337 | 4.950952 | 4.87456 | 5.093781 | 5.131794 | 4.605896 | 5.307573 | 4.687356 | 4.924514 | 4.954403 | 6.131156 | 4.551611 | 4.787231 | 5.929308 | 4.992413 | 5.013867 | 5.052742 | 5.346351 | 4.987323 | 4.269102 | 5.287209 | 4.327723 | 4.747065 | 4.764852 | 5.298953 | 5.460013 | 5.024175 | 4.641048 | 4.878376 | 5.449075 | 5.015424 | 4.573738 | [C][C@@H1][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N] | -0.677603 | Q92630 | P07333 | Q9NZJ5 | 5.366493 | 6.191161 | 6.159936 |
CN1C(=C(C=N1)Cl)C=2C=C(SC=2Cl)C(=O)N[C@@H1]CC=C | 5.067018 | 4.778566 | 6.360123 | 5.413301 | 5.082542 | 4.861919 | 5.266413 | 4.763278 | 4.888556 | 4.990719 | 4.887155 | 4.991168 | 4.95421 | 5.054732 | 4.816332 | 5.204147 | 4.851569 | 5.332018 | 5.029434 | 5.115255 | 4.711411 | 5.089067 | 5.021043 | 5.012059 | 5.058083 | 5.4139 | 4.93929 | 5.073012 | 4.898797 | 5.161671 | 5.417228 | 5.192819 | 5.288447 | 4.969198 | 5.064903 | 5.021965 | 4.952317 | 5.096828 | 5.228782 | 5.008535 | 4.833149 | 4.928622 | 5.074567 | 5.45819 | 4.993209 | 4.898526 | 4.532474 | 5.47776 | 5.260325 | 5.032709 | 5.132872 | 5.575081 | 5.247443 | 5.475195 | 5.402578 | 4.717442 | 5.038676 | 5.432042 | 5.075776 | 5.092952 | 5.347422 | 5.092102 | 4.978455 | 5.61006 | 6.434757 | 5.070414 | 5.110184 | 5.284293 | 4.668843 | 5.124111 | 5.183846 | 4.865566 | 5.664306 | 5.105157 | 4.911723 | 5.034966 | 5.081698 | 5.332018 | 5.402679 | 5.023376 | 4.993553 | 5.417748 | 4.95077 | 4.913354 | 5.274262 | 5.213602 | 4.790009 | 4.978744 | 4.917701 | 5.043517 | 5.361844 | 5.144895 | 4.88043 | 4.919707 | 5.157797 | 5.002225 | 4.952976 | 5.084702 | 4.925435 | 5.118614 | 5.08694 | 5.221646 | 5.380282 | 4.990863 | 4.912936 | 5.103008 | 5.266689 | 5.15912 | 5.04742 | 5.114562 | 5.242813 | 5.427838 | 5.188807 | 5.316041 | 4.780539 | 4.838972 | 4.759703 | 4.914401 | 4.992837 | 5.175394 | 4.847493 | 5.003449 | 5.074181 | 5.228199 | 5.074297 | 4.927475 | 5.306943 | 4.867117 | 4.867064 | 5.445096 | 5.130519 | 5.359026 | 5.145888 | 4.964039 | 5.199276 | 4.886312 | 4.833707 | 5.009743 | 5.020789 | 5.508239 | 5.230543 | 5.044593 | 4.969632 | 5.063301 | 5.135251 | 5.276117 | 5.546706 | 5.220338 | 5.186566 | 5.069288 | 5.183717 | 5.104707 | 5.142359 | 4.990884 | 4.573896 | 5.187163 | 5.335488 | 5.194673 | 5.227491 | 4.96339 | 5.213779 | 4.689656 | 5.064325 | 4.687419 | 5.069623 | 5.085917 | 5.408963 | 5.221139 | 5.330004 | 5.345877 | 5.086972 | 5.072374 | 5.441563 | 5.00893 | 4.953452 | 5.289162 | 5.255748 | 4.964601 | 5.371414 | 5.048399 | 5.230081 | 4.98133 | 4.873255 | 5.041281 | 4.836023 | 4.779145 | 5.059255 | 5.19513 | 5.114742 | 5.133791 | 4.867122 | 5.217459 | 5.199988 | 4.752452 | 5.245516 | 5.373846 | 5.379772 | 5.002247 | 5.287717 | 4.951484 | 5.300118 | 5.109687 | 5.024639 | 5.022529 | 4.993018 | 5.287654 | 4.917859 | 4.796288 | 5.3274 | 5.618374 | 5.315315 | 5.048654 | 5.045765 | 5.251689 | 6.063988 | 4.912999 | 4.711239 | 4.956847 | 5.248754 | 4.887728 | 4.920525 | 5.238217 | 5.08848 | 5.366516 | 5.165336 | 5.043405 | 5.059875 | 5.217234 | 5.131799 | 5.237214 | 5.470201 | 5.291383 | 4.872628 | 5.542457 | 5.014672 | 5.086895 | 5.085182 | 5.121422 | 5.059074 | 5.277259 | 4.989566 | 5.172179 | 4.817857 | 5.064466 | 5.130518 | 5.374057 | 5.280876 | 5.145297 | 4.932689 | 6.11862 | 5.316183 | 5.403495 | 4.954498 | 5.003047 | 5.404077 | 4.831128 | 5.188234 | 5.203519 | 5.186378 | 4.969851 | 4.96963 | 5.343976 | 4.940024 | 5.121435 | 4.842157 | 5.179806 | 4.901904 | 4.97952 | 6.419631 | 5.088836 | 5.176536 | 5.709667 | 4.951776 | 5.129497 | 5.074447 | 4.920355 | 5.302511 | 5.198575 | 5.382731 | 5.318653 | 4.95471 | 4.852891 | 5.042903 | 5.321782 | 5.385287 | 5.355753 | 4.919147 | 5.089665 | 5.179604 | 5.007458 | 5.152611 | 5.405069 | 5.051603 | 5.322261 | 5.079045 | 4.974833 | 5.122182 | 5.119461 | 5.284826 | 5.147643 | 5.363395 | 5.117639 | 5.133852 | 5.009098 | 5.133389 | 5.136417 | 5.272278 | 5.033279 | 5.093865 | 4.908881 | 5.208576 | 4.969751 | 5.128356 | 5.244617 | 5.153338 | 5.261987 | 4.944982 | 5.22669 | 5.305222 | 5.280894 | 5.028832 | 5.157073 | 4.647714 | 5.004622 | 5.237327 | 5.188579 | 4.961127 | 5.303139 | 5.222188 | 5.070837 | 5.162699 | 5.267892 | 5.162476 | 5.829584 | 4.949459 | 5.689181 | 5.464651 | 5.603116 | 4.960484 | 5.124901 | 5.521694 | 6.163453 | 5.2034 | 5.053352 | 5.070814 | 5.121655 | 4.957919 | 5.665417 | 4.809678 | 4.969893 | 5.151715 | 4.992064 | 4.967528 | 5.191704 | 5.07994 | 4.859515 | 4.984051 | 5.389538 | 5.157262 | 5.389595 | 5.110347 | 5.212468 | 5.15652 | 4.787463 | 5.102647 | 5.056683 | 5.274562 | 5.172162 | 5.126855 | 5.167411 | 4.974602 | 4.759038 | 5.035157 | 5.272403 | 5.210611 | 4.974087 | 5.19709 | 5.099839 | 5.009048 | 5.007383 | 5.144202 | 5.272909 | 5.033408 | 5.640039 | 5.080319 | 5.05807 | 4.818358 | 5.283925 | 5.087538 | 5.097223 | 4.937468 | [C][N][C][=Branch1][=Branch2][=C][Branch1][Branch1][C][=N][Ring1][Branch1][Cl][C][C][=C][Branch1][=Branch1][S][C][=Ring1][Branch1][Cl][C][=Branch1][C][=O][N][C@@H1][C][C][=C] | -0.817731 | Q92630 | P11309 | Q86V86 | 5.284826 | 6.434757 | 6.419631 |
CN1C(=C(C=N1)Cl)C=2C=C(SC=2Cl)C=O | 4.970277 | 4.702966 | 5.287314 | 5.313875 | 4.887051 | 4.72581 | 4.827509 | 4.749034 | 5.003819 | 5.172343 | 5.0384 | 4.758169 | 4.944198 | 4.904891 | 4.769341 | 4.791253 | 4.899521 | 5.340775 | 5.252805 | 5.028946 | 4.660607 | 5.124065 | 5.130641 | 4.759357 | 4.715851 | 4.98666 | 4.991219 | 5.03907 | 4.664095 | 5.05365 | 4.915696 | 4.955108 | 5.289229 | 4.707771 | 4.875792 | 4.818299 | 4.90133 | 4.906641 | 4.922999 | 4.751618 | 5.05337 | 4.829245 | 4.940282 | 4.9344 | 4.736822 | 4.844264 | 4.888043 | 4.781074 | 4.881539 | 5.043334 | 5.137038 | 5.188492 | 4.720763 | 4.77291 | 4.736229 | 5.050237 | 5.103351 | 4.817386 | 5.118755 | 5.305752 | 4.882426 | 4.966939 | 4.710005 | 5.323244 | 5.477296 | 4.95892 | 4.876412 | 4.827275 | 4.786999 | 4.882925 | 5.162853 | 4.973262 | 5.476068 | 5.181634 | 4.817174 | 4.647498 | 5.516833 | 4.972445 | 4.975144 | 5.01945 | 5.183709 | 4.535589 | 4.752759 | 4.832239 | 5.175519 | 4.857716 | 4.506536 | 4.636632 | 4.741053 | 4.984529 | 5.440949 | 4.728583 | 4.747413 | 4.831419 | 4.885494 | 4.779468 | 4.630466 | 4.475873 | 4.527447 | 4.487815 | 5.447962 | 4.967547 | 4.765847 | 4.525301 | 4.683132 | 4.777479 | 4.594991 | 4.925662 | 4.846457 | 4.75329 | 5.499733 | 5.536759 | 4.918637 | 5.39248 | 4.63636 | 4.717283 | 4.649188 | 4.83766 | 4.649514 | 5.261254 | 4.746608 | 4.685366 | 5.005668 | 5.022881 | 5.090662 | 4.832698 | 4.956223 | 4.725862 | 4.760326 | 4.571178 | 4.919631 | 5.065104 | 4.955934 | 4.711164 | 4.743345 | 4.921881 | 4.8528 | 5.278311 | 4.977966 | 5.536821 | 5.218574 | 5.252926 | 4.950043 | 5.053246 | 5.075543 | 5.046025 | 4.897419 | 5.191756 | 4.869322 | 4.875291 | 4.866067 | 4.997177 | 4.996625 | 4.679056 | 4.785257 | 5.267832 | 4.74437 | 5.197271 | 4.811225 | 4.830322 | 4.824045 | 4.563175 | 4.454398 | 4.450788 | 4.526449 | 4.508392 | 5.116422 | 4.965384 | 5.043837 | 4.788431 | 4.816915 | 5.024818 | 5.271978 | 4.88269 | 4.75716 | 5.19403 | 5.051603 | 4.818315 | 4.811252 | 4.879802 | 5.172447 | 5.081487 | 4.81636 | 5.068235 | 4.857384 | 4.650254 | 5.007269 | 4.986457 | 5.157906 | 4.912234 | 5.210239 | 4.883209 | 5.141805 | 4.69278 | 5.000647 | 4.868568 | 5.048222 | 4.919696 | 4.99548 | 4.696192 | 4.704686 | 5.100281 | 4.714084 | 4.892064 | 4.860556 | 5.072597 | 4.740098 | 4.640404 | 5.222352 | 4.940496 | 4.933763 | 5.170531 | 5.181784 | 5.120743 | 5.516535 | 4.875757 | 4.674518 | 4.890903 | 5.149381 | 4.967287 | 4.877501 | 4.830338 | 4.705728 | 4.969971 | 4.975677 | 5.051764 | 4.767925 | 4.498283 | 4.828784 | 4.907499 | 4.889735 | 4.644286 | 4.749864 | 5.160151 | 4.906504 | 4.91784 | 4.863496 | 4.993214 | 5.174022 | 4.759013 | 4.824774 | 5.000841 | 4.943875 | 5.058662 | 5.042381 | 5.096093 | 4.879112 | 4.977654 | 4.900617 | 5.528196 | 5.243252 | 4.793013 | 4.696836 | 4.821248 | 4.713494 | 5.005436 | 5.059253 | 5.008086 | 4.938294 | 5.093879 | 4.729282 | 5.102458 | 4.916219 | 4.809117 | 4.952847 | 5.166601 | 5.149407 | 4.844205 | 5.976626 | 5.151803 | 4.993616 | 5.512487 | 4.854191 | 5.082195 | 4.81303 | 4.868579 | 4.892724 | 5.061327 | 5.137534 | 4.817821 | 4.756857 | 4.666736 | 5.053032 | 4.779227 | 5.466045 | 5.031342 | 4.631722 | 4.770156 | 5.023973 | 4.831722 | 5.054686 | 4.77174 | 4.700985 | 4.9145 | 4.6788 | 4.871541 | 4.76317 | 4.827774 | 5.271557 | 4.912771 | 4.944739 | 4.86041 | 4.982895 | 4.796149 | 4.84543 | 4.875544 | 5.10246 | 4.807733 | 5.049417 | 5.300996 | 4.953773 | 5.075084 | 4.763772 | 4.852197 | 4.797886 | 4.612114 | 4.979477 | 4.86216 | 4.904691 | 5.033981 | 4.98533 | 4.830654 | 4.860409 | 4.803596 | 5.098001 | 5.228232 | 4.823559 | 4.656633 | 5.042323 | 4.980895 | 4.940825 | 5.033447 | 4.798792 | 5.427157 | 5.015071 | 5.528719 | 4.775277 | 5.524616 | 4.801632 | 4.978083 | 4.975271 | 5.782733 | 5.078889 | 4.9766 | 4.73683 | 4.821665 | 4.992375 | 5.182159 | 4.895094 | 4.938879 | 5.025831 | 5.016111 | 5.131005 | 4.968682 | 4.710945 | 4.814479 | 4.920236 | 5.255486 | 4.840138 | 4.874654 | 4.855098 | 4.875617 | 4.911514 | 4.9436 | 5.038942 | 4.871944 | 4.420712 | 4.700062 | 5.033298 | 4.877399 | 5.180672 | 4.81264 | 5.264441 | 4.850847 | 4.968068 | 5.059972 | 5.174899 | 5.0957 | 4.66231 | 4.846511 | 4.721127 | 4.938914 | 4.800045 | 5.411942 | 5.000523 | 5.012987 | 4.762255 | 4.916964 | 4.846974 | 4.79909 | 4.72809 | [C][N][C][=Branch1][=Branch2][=C][Branch1][Branch1][C][=N][Ring1][Branch1][Cl][C][C][=C][Branch1][=Branch1][S][C][=Ring1][Branch1][Cl][C][=O] | -0.607575 | Q92630 | Q86V86 | Q9HAZ1 | 5.271557 | 5.976626 | 5.782733 |
CCCS | 4.667615 | 4.493234 | 4.965518 | 4.903451 | 4.630517 | 4.401315 | 4.717705 | 4.636453 | 4.705205 | 4.632967 | 4.64526 | 4.489824 | 4.596013 | 4.524911 | 4.444383 | 4.65711 | 4.642017 | 4.710106 | 4.709056 | 4.605138 | 4.446824 | 4.620815 | 5.31054 | 4.641507 | 5.178641 | 4.955459 | 4.738283 | 4.597837 | 4.452482 | 4.629786 | 4.791719 | 4.598792 | 4.593872 | 4.529656 | 4.609731 | 4.906749 | 4.88779 | 4.496284 | 4.674719 | 4.57386 | 4.402244 | 4.83796 | 4.534493 | 4.626472 | 4.567415 | 4.428995 | 4.579217 | 4.479701 | 4.46062 | 4.535287 | 4.994586 | 4.925552 | 4.343718 | 4.620122 | 4.675818 | 4.709441 | 4.794891 | 4.586549 | 4.615322 | 5.437199 | 4.574404 | 4.584373 | 4.787241 | 5.005182 | 4.646001 | 4.812981 | 4.600085 | 4.453052 | 4.572954 | 4.810559 | 4.883945 | 4.531944 | 5.319089 | 4.978024 | 4.525265 | 4.565332 | 4.871855 | 4.984236 | 4.943004 | 4.624658 | 4.876459 | 4.378635 | 4.555813 | 4.542977 | 4.700094 | 4.736186 | 4.435767 | 4.560129 | 4.566996 | 5.16966 | 4.556549 | 4.453023 | 4.624161 | 4.627252 | 5.40343 | 4.690407 | 4.355171 | 4.315548 | 4.366587 | 4.259897 | 4.644106 | 4.642772 | 4.292065 | 4.444191 | 4.582894 | 4.338645 | 4.531196 | 4.455173 | 4.641464 | 4.47682 | 4.838459 | 4.687274 | 4.617819 | 5.037301 | 4.449393 | 4.481392 | 4.418825 | 4.531098 | 4.516106 | 4.595557 | 4.538679 | 4.375381 | 4.753282 | 4.543327 | 4.548855 | 4.605668 | 4.535985 | 4.2547 | 4.556954 | 4.369396 | 4.696687 | 4.505175 | 4.564623 | 4.390713 | 4.549461 | 4.69495 | 4.446375 | 4.713615 | 4.703802 | 4.823426 | 4.454192 | 4.548371 | 4.58914 | 4.601481 | 4.692285 | 4.643121 | 4.577915 | 4.737354 | 4.602413 | 4.902081 | 4.800629 | 4.968583 | 4.65701 | 4.48929 | 4.609294 | 4.586468 | 4.370262 | 4.332173 | 4.602906 | 4.471342 | 5.244043 | 4.282515 | 4.2279 | 4.266389 | 4.266777 | 4.241942 | 6.036331 | 4.697207 | 4.888707 | 4.45979 | 4.584769 | 4.824907 | 4.456992 | 4.605145 | 4.564312 | 4.621369 | 4.539208 | 4.728004 | 4.638397 | 4.581667 | 5.009037 | 4.623693 | 4.442513 | 4.624389 | 4.442925 | 4.268252 | 4.813086 | 4.611211 | 4.464658 | 4.475936 | 4.568957 | 4.630457 | 4.565015 | 4.402817 | 4.753235 | 4.880987 | 4.526231 | 4.561873 | 5.203745 | 4.550452 | 4.628942 | 4.607939 | 4.539595 | 4.538778 | 4.433604 | 4.956209 | 4.65607 | 4.948535 | 4.533942 | 4.593517 | 4.539638 | 4.662368 | 4.701648 | 4.619461 | 4.777537 | 4.693866 | 4.357654 | 4.458865 | 5.037167 | 4.926792 | 4.661665 | 4.630907 | 4.603933 | 5.047784 | 4.56682 | 4.63029 | 4.63584 | 4.32775 | 4.565169 | 4.61672 | 4.572625 | 4.557696 | 4.441178 | 4.725488 | 4.551075 | 4.761971 | 4.701872 | 4.444267 | 4.909151 | 4.667255 | 4.399575 | 4.763938 | 4.520968 | 5.261832 | 4.651913 | 4.722353 | 4.488997 | 4.649709 | 4.576668 | 4.648067 | 4.86322 | 4.730952 | 4.482918 | 4.547515 | 4.669747 | 4.747959 | 5.063885 | 4.707992 | 4.79314 | 5.073072 | 4.62183 | 4.587754 | 4.651652 | 5.295984 | 4.427111 | 4.64048 | 4.56363 | 4.453691 | 4.648946 | 4.731689 | 4.745939 | 5.055241 | 4.641803 | 4.964499 | 4.539526 | 4.888047 | 4.502604 | 4.78649 | 4.527083 | 4.779561 | 4.768553 | 4.507721 | 4.505303 | 4.55328 | 4.706239 | 4.864171 | 4.513949 | 4.767474 | 4.928864 | 4.610179 | 4.863431 | 4.658536 | 4.737889 | 4.818596 | 4.355808 | 4.349395 | 4.65105 | 4.914348 | 4.746026 | 4.496334 | 4.978185 | 4.673385 | 4.739993 | 4.533616 | 5.224222 | 4.5584 | 4.734351 | 4.641987 | 4.870177 | 4.88806 | 4.72571 | 4.736402 | 4.396211 | 4.462071 | 4.643168 | 4.833804 | 4.675719 | 4.526968 | 4.669473 | 4.662691 | 4.847033 | 4.740767 | 4.57125 | 4.536061 | 4.598419 | 4.964358 | 4.536172 | 4.484535 | 4.563466 | 4.743242 | 4.913612 | 4.796567 | 5.004739 | 4.689883 | 4.464729 | 5.087297 | 4.622964 | 5.03259 | 4.554738 | 4.732558 | 4.749629 | 4.842069 | 5.111756 | 4.628179 | 4.683405 | 4.547152 | 4.618263 | 4.623505 | 4.595999 | 4.895285 | 4.880621 | 5.111851 | 4.695991 | 4.431553 | 4.642243 | 5.000661 | 4.789482 | 5.309333 | 5.217999 | 4.605002 | 4.559248 | 4.625074 | 4.661063 | 4.530802 | 4.772422 | 4.560911 | 4.381502 | 4.586892 | 4.542388 | 4.940431 | 4.555999 | 4.380554 | 4.521983 | 4.46226 | 4.714027 | 4.717328 | 4.647573 | 4.656572 | 4.555619 | 4.66827 | 6.073149 | 4.575334 | 4.552328 | 4.659505 | 4.944144 | 4.576916 | 4.540251 | 4.590485 | 4.606115 | 4.557808 | 4.47603 | [C][C][C][S] | -0.868544 | Q92630 | Q9Y2K2 | P57059 | 4.746026 | 6.073149 | 6.036331 |
CC(C)C1=CC(=NO1)NC(=O)NC=CC=C | 4.584809 | 4.542333 | 5.160187 | 4.994473 | 4.33328 | 4.768374 | 4.443342 | 4.561231 | 4.912371 | 4.597286 | 4.515365 | 4.590124 | 4.836324 | 4.771435 | 4.632353 | 4.913608 | 4.431149 | 4.58324 | 4.552743 | 4.640575 | 4.537947 | 4.837458 | 4.656142 | 4.404187 | 4.45408 | 4.616504 | 4.696253 | 4.827886 | 4.361072 | 4.521755 | 4.469209 | 4.739474 | 5.008326 | 4.604757 | 4.576249 | 4.296238 | 4.640424 | 4.531872 | 4.660257 | 4.476143 | 5.143819 | 4.669147 | 4.684317 | 4.908381 | 4.623301 | 4.740367 | 4.596833 | 4.625388 | 4.63831 | 4.845162 | 4.864093 | 4.688576 | 4.874104 | 4.684478 | 4.624362 | 4.600541 | 5.061565 | 4.684551 | 4.830664 | 4.644947 | 4.743809 | 4.921961 | 4.494323 | 4.800358 | 6.05115 | 4.689468 | 4.580221 | 4.680997 | 4.578941 | 4.662856 | 4.634275 | 4.859282 | 4.85306 | 4.951877 | 4.637688 | 4.609553 | 4.550531 | 4.715684 | 5.153987 | 4.943722 | 4.880605 | 4.620271 | 4.541968 | 4.593184 | 4.499747 | 4.714914 | 4.506381 | 4.570985 | 4.763974 | 4.728621 | 5.302079 | 4.60865 | 4.409905 | 4.762328 | 4.675098 | 4.625558 | 4.663513 | 4.57644 | 4.535257 | 4.426711 | 4.693642 | 4.857344 | 4.877543 | 4.418681 | 4.270165 | 4.673135 | 4.667156 | 4.879994 | 4.808035 | 4.673622 | 4.700164 | 4.834386 | 4.847813 | 5.321617 | 4.513096 | 4.623322 | 4.545858 | 4.596157 | 4.517158 | 4.958305 | 4.543679 | 4.645841 | 4.97716 | 5.009614 | 4.892666 | 4.594305 | 4.777008 | 4.668804 | 4.45492 | 4.41398 | 5.192291 | 5.163503 | 4.609617 | 4.756505 | 4.34891 | 4.528755 | 4.627898 | 5.311675 | 4.499761 | 4.821781 | 4.682202 | 4.971346 | 5.314916 | 5.199628 | 4.877285 | 4.83429 | 4.781371 | 4.740237 | 4.666015 | 4.638794 | 4.638462 | 4.742055 | 4.749979 | 4.6838 | 4.426484 | 4.629097 | 4.320952 | 4.39262 | 4.918686 | 5.109423 | 4.58665 | 4.393997 | 4.54347 | 4.369685 | 4.410017 | 4.538786 | 4.492052 | 4.448953 | 5.061515 | 4.681643 | 4.58104 | 4.725163 | 4.975637 | 4.949847 | 4.663674 | 4.974996 | 4.892642 | 4.528258 | 4.758373 | 4.95218 | 4.724003 | 4.769351 | 4.727145 | 4.668438 | 4.69102 | 4.481959 | 4.820478 | 4.882467 | 4.741359 | 4.786895 | 4.519283 | 4.717306 | 5.017764 | 4.413243 | 4.349136 | 4.819375 | 4.854071 | 4.515593 | 4.613868 | 4.353669 | 4.634915 | 4.712362 | 4.423616 | 4.478542 | 4.437871 | 4.791168 | 4.604275 | 4.485292 | 4.515365 | 4.979724 | 4.734744 | 4.468477 | 4.438499 | 4.55232 | 5.579614 | 4.446798 | 4.58683 | 4.919415 | 4.768727 | 4.705663 | 4.553261 | 4.768199 | 4.536144 | 4.880037 | 4.824834 | 4.409249 | 4.765674 | 4.471273 | 4.723282 | 4.508842 | 5.089774 | 4.46449 | 4.596586 | 4.58221 | 4.439855 | 4.497207 | 4.68841 | 4.755219 | 4.533597 | 4.687255 | 4.899945 | 4.625525 | 4.890885 | 4.687678 | 4.66166 | 4.580919 | 5.032969 | 4.789787 | 4.887433 | 4.776684 | 4.566999 | 4.622901 | 4.658201 | 4.519059 | 4.639828 | 4.581429 | 4.779611 | 6.446052 | 4.600486 | 4.400905 | 4.63619 | 4.527923 | 4.587748 | 4.648686 | 4.439557 | 4.948911 | 4.752991 | 4.457235 | 5.718095 | 4.708452 | 4.480015 | 5.450613 | 4.618862 | 4.542656 | 4.519581 | 4.716422 | 4.866894 | 4.570069 | 4.947136 | 4.586588 | 4.39565 | 4.508115 | 4.566444 | 4.393087 | 5.208751 | 5.042016 | 4.494117 | 4.572509 | 4.698136 | 4.611187 | 4.556943 | 4.494488 | 4.623169 | 4.62185 | 4.338781 | 4.46396 | 4.492964 | 4.567647 | 5.045841 | 5.114522 | 4.52091 | 4.626551 | 4.735555 | 4.759462 | 4.585799 | 4.429554 | 4.623589 | 4.567946 | 4.80331 | 4.689279 | 4.741613 | 4.671654 | 4.573352 | 4.758557 | 4.313572 | 4.605989 | 4.758771 | 4.746673 | 4.725573 | 4.930509 | 4.595081 | 6.285681 | 5.099509 | 4.663775 | 4.739991 | 5.099863 | 4.681557 | 4.376671 | 4.808578 | 4.786665 | 4.691676 | 4.501375 | 4.480202 | 4.398345 | 4.567652 | 5.430976 | 4.594463 | 5.445332 | 4.689166 | 4.702702 | 4.683667 | 4.853501 | 5.014749 | 4.626276 | 4.68994 | 4.598728 | 4.419879 | 5.28451 | 4.636998 | 4.596687 | 4.554542 | 4.670997 | 4.661839 | 4.375188 | 4.378493 | 4.589005 | 4.688394 | 4.77722 | 4.691337 | 4.551933 | 4.472384 | 4.296177 | 4.668167 | 4.69719 | 4.547833 | 4.741937 | 4.430504 | 4.547262 | 4.705924 | 4.35461 | 4.702533 | 4.39212 | 4.574471 | 4.617707 | 5.035995 | 5.051147 | 4.863763 | 4.579827 | 4.446988 | 4.321509 | 4.390038 | 4.776001 | 4.769721 | 5.039701 | 4.478104 | 4.581609 | 4.484969 | 4.564542 | 4.30273 | 4.53875 | 4.523238 | [C][C][Branch1][C][C][C][=C][C][=Branch1][Branch1][=N][O][Ring1][Branch1][N][C][=Branch1][C][=O][N][C][=C][C][=C] | -0.885397 | Q92630 | Q6P5Z2 | Q9BUB5 | 5.045841 | 6.446052 | 6.285681 |
CCCS(=O)=O | 4.660074 | 4.555117 | 5.180845 | 4.871774 | 4.608491 | 4.409527 | 4.671091 | 4.658253 | 4.706622 | 4.645126 | 4.79548 | 4.341134 | 4.495455 | 4.470465 | 4.283401 | 4.49109 | 4.686734 | 4.701114 | 4.703808 | 4.647131 | 4.417146 | 4.592576 | 5.297005 | 4.580778 | 4.966908 | 4.820068 | 4.684463 | 4.643134 | 4.556184 | 4.610671 | 4.716131 | 4.815959 | 4.688833 | 4.43114 | 4.601858 | 4.839154 | 4.972716 | 4.528162 | 4.733603 | 4.587596 | 4.42014 | 4.881087 | 4.52804 | 4.69137 | 4.559649 | 4.520122 | 4.620132 | 4.175244 | 4.494916 | 4.680898 | 5.128813 | 5.241377 | 4.283013 | 4.577774 | 4.605655 | 4.676598 | 4.851393 | 4.6661 | 4.693733 | 5.406776 | 4.569023 | 4.645543 | 4.708522 | 5.052044 | 4.647544 | 4.828977 | 4.511971 | 4.38712 | 4.582138 | 4.897387 | 4.839651 | 4.51813 | 5.380719 | 5.386485 | 4.585942 | 4.516318 | 4.901108 | 4.828833 | 5.060475 | 4.758574 | 5.07391 | 4.244699 | 4.687555 | 4.577933 | 4.815254 | 4.784581 | 4.430545 | 4.496477 | 4.49432 | 4.910673 | 4.758826 | 4.265238 | 4.605154 | 4.776492 | 4.800057 | 4.77321 | 4.353953 | 4.195432 | 4.276054 | 4.147793 | 4.850826 | 4.678496 | 4.218042 | 4.282743 | 4.44853 | 4.355315 | 4.365112 | 4.457906 | 4.599693 | 4.264909 | 5.054521 | 4.946095 | 4.731422 | 5.091282 | 4.479168 | 4.688606 | 4.618847 | 4.621297 | 4.359017 | 4.678205 | 4.493616 | 4.328467 | 4.818275 | 4.535113 | 4.557894 | 4.631945 | 4.591862 | 4.253604 | 4.54086 | 4.274674 | 4.674768 | 4.412287 | 4.518303 | 4.398888 | 4.791274 | 4.822402 | 4.279686 | 4.805202 | 4.962589 | 4.983794 | 4.494708 | 4.646557 | 4.631321 | 4.629165 | 4.785206 | 4.641453 | 4.536449 | 4.890629 | 4.593303 | 4.896583 | 4.819141 | 4.950535 | 4.760493 | 4.481605 | 4.900635 | 4.672119 | 4.453681 | 4.724651 | 4.486244 | 4.420382 | 4.79964 | 4.195187 | 4.159066 | 4.135754 | 4.20039 | 4.152067 | 4.938911 | 4.660002 | 5.045619 | 4.538088 | 4.720063 | 4.781924 | 4.496924 | 4.538364 | 4.479919 | 4.683924 | 4.56388 | 4.568871 | 4.660793 | 4.629075 | 5.009846 | 4.821041 | 4.54887 | 4.794123 | 4.374487 | 4.282299 | 4.762336 | 4.557168 | 4.523693 | 4.440721 | 4.710575 | 4.516518 | 4.555271 | 4.309989 | 4.605748 | 4.932118 | 4.535214 | 4.503754 | 4.920591 | 4.585525 | 4.624751 | 4.750804 | 4.576423 | 4.493726 | 4.40654 | 5.085872 | 4.782788 | 4.580558 | 4.601579 | 4.512593 | 4.544016 | 4.797729 | 4.811436 | 4.75817 | 4.923526 | 4.764838 | 4.269192 | 4.392049 | 4.944698 | 4.981116 | 4.62697 | 4.597789 | 4.534264 | 5.037846 | 4.706619 | 4.60441 | 4.554852 | 4.20676 | 4.528579 | 4.549189 | 4.476931 | 4.354686 | 4.436733 | 4.644776 | 4.561698 | 4.718166 | 4.557011 | 4.517517 | 4.838694 | 4.589156 | 4.18747 | 4.715401 | 4.566065 | 5.260136 | 4.695879 | 4.753006 | 4.497178 | 4.786604 | 4.648848 | 4.723253 | 4.809964 | 4.67314 | 4.38937 | 4.464189 | 4.66151 | 4.748892 | 4.982064 | 4.735125 | 4.835405 | 5.137939 | 4.662889 | 4.700438 | 4.667975 | 4.58481 | 4.477498 | 4.699962 | 4.683165 | 4.495486 | 4.716477 | 4.917285 | 4.729232 | 5.213215 | 4.712208 | 4.97879 | 4.557725 | 4.943569 | 4.453037 | 4.695751 | 4.738865 | 4.710031 | 4.689568 | 4.381575 | 4.618366 | 4.765354 | 4.78772 | 5.015041 | 4.460546 | 4.678657 | 4.789276 | 4.66759 | 4.73942 | 4.722879 | 4.622739 | 4.875686 | 4.323512 | 4.476501 | 4.575011 | 4.836374 | 4.909183 | 4.550037 | 4.759719 | 4.501108 | 4.676066 | 4.477294 | 4.754265 | 4.521203 | 4.924031 | 4.672392 | 4.823196 | 5.026484 | 4.532568 | 4.765609 | 4.502412 | 4.475628 | 4.719026 | 4.77444 | 4.680522 | 4.504838 | 4.616756 | 4.732838 | 4.987347 | 4.568699 | 4.597293 | 4.510176 | 4.726751 | 5.034121 | 4.458411 | 4.531034 | 4.8547 | 4.732394 | 4.814438 | 4.529838 | 4.760114 | 4.801267 | 4.547752 | 5.255857 | 4.566894 | 5.205204 | 4.514942 | 4.964977 | 4.68641 | 5.048848 | 5.005387 | 4.502894 | 4.607256 | 4.684417 | 4.664979 | 4.737645 | 4.747855 | 4.949717 | 4.820484 | 5.126732 | 4.813277 | 4.493955 | 4.597795 | 4.852956 | 4.816062 | 5.284219 | 4.675876 | 4.601707 | 4.508954 | 4.627287 | 4.622699 | 4.60114 | 4.784081 | 4.57086 | 4.283042 | 4.584561 | 4.559516 | 4.861715 | 4.671539 | 4.441379 | 4.689968 | 4.455153 | 4.906312 | 4.781488 | 4.735225 | 4.722147 | 4.448635 | 4.639112 | 5.727942 | 4.492959 | 4.447933 | 4.784431 | 4.899866 | 4.680581 | 4.501386 | 4.67479 | 4.566984 | 4.693099 | 4.520365 | [C][C][C][S][=Branch1][C][=O][=O] | -0.674394 | Q92630 | Q9Y2K2 | P09619 | 4.909183 | 5.727942 | 5.406776 |
C[C@@H1](C1=NC2=CC=C(C=C2C(=O)N1C3=CC=CC=C3)F)NC=CCN=C=[NH1] | 6.989104 | 6.997965 | 7.502547 | 6.976005 | 7.338677 | 7.175281 | 7.277844 | 7.285219 | 7.051475 | 7.2257 | 7.167471 | 6.941379 | 6.96203 | 7.132959 | 7.112283 | 6.87173 | 7.139895 | 7.143009 | 6.962041 | 6.896172 | 7.047674 | 6.931895 | 7.102947 | 7.209483 | 6.851102 | 7.160068 | 7.277048 | 7.148635 | 7.241291 | 6.943203 | 7.196065 | 7.188196 | 7.024168 | 6.919994 | 7.255427 | 7.382177 | 7.195319 | 7.15131 | 7.032069 | 6.962166 | 7.127113 | 7.109734 | 7.200867 | 7.370528 | 6.865592 | 6.86823 | 7.203201 | 7.033513 | 6.937466 | 7.13104 | 7.269018 | 7.31143 | 7.063262 | 7.196353 | 7.118195 | 7.117629 | 7.260141 | 7.201515 | 7.381925 | 6.785841 | 7.082781 | 7.185642 | 7.01593 | 6.885684 | 7.029174 | 7.278779 | 7.237318 | 6.99541 | 7.273719 | 7.079608 | 6.955408 | 7.004547 | 6.885587 | 7.211329 | 6.997982 | 6.973424 | 6.996345 | 7.172446 | 7.02266 | 7.045318 | 6.96167 | 6.599547 | 7.226899 | 7.425198 | 7.309203 | 7.257968 | 6.996175 | 6.923008 | 7.125834 | 7.082666 | 7.019098 | 7.123031 | 7.15486 | 6.99227 | 7.290745 | 7.054849 | 6.967795 | 6.930244 | 6.98069 | 6.743634 | 7.498514 | 7.258567 | 7.183567 | 7.199714 | 7.263022 | 7.175685 | 7.24132 | 7.022616 | 7.062027 | 7.103526 | 7.099766 | 7.044087 | 7.194319 | 6.960509 | 6.871683 | 7.152461 | 7.061079 | 7.287401 | 6.478432 | 7.454764 | 7.192659 | 6.879414 | 7.171476 | 7.136659 | 7.424972 | 7.097747 | 7.089848 | 7.174448 | 7.101088 | 7.129236 | 6.797422 | 6.799507 | 6.961506 | 7.157257 | 7.212605 | 7.359219 | 6.981738 | 7.071322 | 7.403038 | 7.17786 | 6.989271 | 7.007138 | 7.001756 | 7.121634 | 6.805888 | 7.106148 | 7.297244 | 7.161181 | 7.228849 | 6.923234 | 6.881797 | 7.07523 | 7.246539 | 7.073338 | 7.160851 | 7.091119 | 7.317472 | 7.341691 | 6.965564 | 6.784606 | 7.11545 | 6.884217 | 6.832201 | 6.759354 | 6.685421 | 6.930462 | 7.308494 | 6.946077 | 7.059881 | 7.279847 | 7.291122 | 7.130432 | 7.018448 | 6.928589 | 7.136087 | 6.863542 | 6.975284 | 7.13384 | 7.152317 | 7.193235 | 7.086447 | 7.283938 | 7.182378 | 7.290477 | 7.152318 | 6.893514 | 7.147986 | 7.286798 | 7.229934 | 7.035086 | 7.360206 | 7.137702 | 7.256852 | 7.026991 | 7.24901 | 7.032997 | 7.278849 | 6.978577 | 7.200297 | 7.196785 | 7.318816 | 7.056592 | 7.237041 | 6.886672 | 7.21516 | 7.075357 | 7.178277 | 6.726903 | 7.276535 | 6.929688 | 7.084908 | 7.189068 | 7.08467 | 7.110109 | 7.044775 | 7.198836 | 7.044106 | 7.080098 | 6.944305 | 7.137464 | 7.107784 | 7.093438 | 7.217563 | 7.121032 | 7.111401 | 7.337304 | 7.207027 | 6.933287 | 7.326525 | 6.940251 | 6.898921 | 7.142701 | 6.920071 | 7.394501 | 6.900912 | 7.000678 | 6.931044 | 7.208706 | 7.141367 | 7.169957 | 6.708963 | 6.907862 | 7.199587 | 7.146768 | 6.802949 | 7.194442 | 7.107562 | 7.227002 | 7.055061 | 7.33386 | 7.121216 | 7.250686 | 7.085129 | 7.171165 | 7.19853 | 7.062651 | 7.076717 | 7.092903 | 6.904681 | 7.259383 | 7.067525 | 7.278087 | 7.095572 | 7.217175 | 7.39063 | 7.042205 | 7.24392 | 7.353391 | 7.24599 | 7.291748 | 7.037127 | 7.216683 | 7.248982 | 7.241305 | 6.902901 | 6.992566 | 6.723723 | 7.185319 | 7.32796 | 7.18418 | 7.348448 | 7.11359 | 7.323174 | 7.178456 | 7.12457 | 7.072462 | 7.345588 | 6.964027 | 7.130988 | 7.216781 | 7.184441 | 7.251586 | 7.193502 | 7.167353 | 6.982791 | 7.402597 | 7.311283 | 6.892434 | 7.131372 | 7.027536 | 7.239761 | 7.071084 | 7.279049 | 7.253194 | 7.168011 | 7.067613 | 7.012383 | 7.097903 | 6.974704 | 7.26861 | 7.061179 | 7.343385 | 7.363941 | 7.065977 | 7.234217 | 7.026612 | 6.869156 | 7.259523 | 7.187684 | 7.066969 | 7.308695 | 7.228265 | 6.95081 | 7.07201 | 6.948221 | 7.068327 | 6.984553 | 7.232159 | 7.205427 | 7.163622 | 7.179415 | 7.116495 | 7.054454 | 7.296378 | 7.311343 | 7.260794 | 7.127148 | 7.24471 | 7.004663 | 7.146985 | 7.201885 | 7.140495 | 7.050728 | 6.92074 | 7.198737 | 7.342225 | 7.133347 | 7.050706 | 7.286105 | 7.279689 | 7.391335 | 7.118477 | 7.291853 | 7.355024 | 7.036305 | 7.138588 | 6.967288 | 7.247709 | 7.185061 | 7.120607 | 7.009878 | 7.24859 | 7.010292 | 7.070966 | 6.7109 | 7.136898 | 7.057793 | 6.961558 | 7.172664 | 7.376375 | 7.263199 | 7.360866 | 7.460272 | 7.241852 | 6.97489 | 7.110656 | 7.368478 | 7.172462 | 7.22685 | 7.362332 | 7.019641 | 7.013051 | 7.004704 | 7.027927 | 7.177136 | 7.073791 | 7.182034 | 7.290223 | 7.296309 | 7.328397 | 7.027662 | [C][C@@H1][Branch2][Ring1][=C][C][=N][C][=C][C][=C][Branch2][Ring1][Ring2][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][F][N][C][=C][C][N][=C][=NH1] | -0.355019 | Q92630 | O00311 | P29376 | 7.131372 | 7.502547 | 7.498514 |
CC(C)C1=CC(=NO1)NC(=O)NC2=CC=CC(=C2)OC=CC=C | 6.254392 | 5.867503 | 6.349556 | 6.201842 | 6.453144 | 6.325196 | 6.423583 | 6.576458 | 6.372847 | 6.353736 | 6.104465 | 6.15944 | 6.025243 | 6.374913 | 6.383322 | 6.228935 | 6.257937 | 6.215209 | 6.316566 | 6.27308 | 6.251727 | 6.131403 | 6.363621 | 6.34959 | 6.223258 | 6.319223 | 6.472005 | 6.32768 | 6.369571 | 6.150505 | 6.350953 | 6.24831 | 6.238694 | 6.233595 | 6.473563 | 6.69404 | 6.235325 | 6.076526 | 5.837215 | 6.219107 | 6.41949 | 6.518688 | 6.569973 | 6.762019 | 6.05458 | 6.220124 | 5.997268 | 6.226095 | 6.062873 | 6.273627 | 6.093414 | 6.663183 | 6.280025 | 6.343822 | 6.323822 | 6.158844 | 6.753625 | 6.354735 | 6.783152 | 6.029787 | 6.205808 | 6.27725 | 6.309203 | 6.199064 | 6.399192 | 6.511976 | 6.442843 | 6.139371 | 6.534409 | 6.407257 | 5.888054 | 6.375275 | 6.066313 | 6.252149 | 6.217017 | 6.160498 | 6.177382 | 6.400419 | 6.195219 | 6.249456 | 6.18605 | 6.076875 | 6.608774 | 6.725407 | 6.730651 | 6.844732 | 5.741899 | 5.97104 | 6.421152 | 6.252985 | 6.268253 | 6.155863 | 6.328288 | 6.211265 | 6.271328 | 6.279818 | 6.280389 | 6.384304 | 6.537132 | 6.011113 | 6.714686 | 6.38948 | 6.516691 | 6.320273 | 6.461134 | 6.439578 | 6.504349 | 6.124127 | 6.202545 | 6.064067 | 6.279874 | 6.41003 | 6.413406 | 6.398304 | 5.433188 | 6.347308 | 6.318624 | 6.378551 | 5.6113 | 6.77303 | 5.806661 | 5.761047 | 6.44374 | 6.435186 | 6.563617 | 6.284139 | 6.459635 | 6.418376 | 6.408498 | 6.382705 | 6.154375 | 6.251204 | 6.148676 | 6.318768 | 6.278692 | 6.263421 | 6.058043 | 6.222646 | 6.194995 | 6.084288 | 6.040836 | 5.778907 | 5.895326 | 6.113801 | 6.175364 | 6.202009 | 6.407276 | 6.327147 | 6.36855 | 6.330345 | 6.152249 | 6.124871 | 6.366625 | 6.247817 | 5.822068 | 6.262615 | 6.575541 | 6.597811 | 6.284565 | 6.257852 | 6.168329 | 6.393173 | 6.190582 | 5.890915 | 5.816525 | 6.442887 | 6.344172 | 6.281427 | 6.131696 | 6.343576 | 6.233437 | 6.35924 | 6.269287 | 6.137182 | 6.303913 | 6.149604 | 6.201029 | 6.051045 | 6.398429 | 6.445094 | 6.190974 | 6.432115 | 6.612338 | 6.468985 | 5.713665 | 5.176241 | 6.292622 | 6.650495 | 6.585614 | 6.203082 | 6.420912 | 6.24185 | 6.57311 | 6.417251 | 6.326947 | 6.430379 | 6.725834 | 6.35127 | 6.286979 | 6.344452 | 6.411875 | 6.076958 | 6.38956 | 6.242954 | 6.524468 | 6.136687 | 6.440013 | 6.230471 | 6.549363 | 6.170147 | 6.493379 | 6.154999 | 6.196345 | 6.278011 | 6.21819 | 6.427951 | 6.20522 | 6.225011 | 6.07942 | 6.32834 | 6.07098 | 6.162239 | 6.315766 | 5.869037 | 6.274616 | 6.525158 | 6.459857 | 6.408058 | 6.516727 | 6.110884 | 6.277844 | 6.29204 | 5.225884 | 6.776037 | 5.18819 | 6.159096 | 6.211463 | 6.313388 | 6.378705 | 6.496614 | 5.321295 | 6.023619 | 6.280848 | 5.704553 | 5.574282 | 6.374044 | 6.469127 | 6.448607 | 6.154342 | 6.719648 | 6.234236 | 6.569161 | 6.382761 | 6.327906 | 6.490193 | 6.062078 | 6.296326 | 6.417464 | 6.225967 | 6.247055 | 5.853189 | 6.472568 | 6.180661 | 6.227133 | 6.39303 | 6.251007 | 6.545197 | 6.655719 | 6.48887 | 6.41655 | 5.953805 | 6.240663 | 6.043945 | 6.437517 | 5.376924 | 6.22711 | 5.938566 | 6.29797 | 6.556376 | 6.286422 | 6.651771 | 6.267695 | 6.376186 | 6.529547 | 6.163249 | 6.143785 | 6.667442 | 6.176177 | 6.290594 | 6.286858 | 6.312955 | 6.501753 | 6.03019 | 6.421096 | 6.225072 | 6.588624 | 6.581376 | 6.017348 | 6.137917 | 6.23783 | 6.369227 | 6.193201 | 6.62253 | 6.260831 | 6.216642 | 6.327251 | 5.614118 | 6.269612 | 6.235899 | 6.546628 | 6.099983 | 6.434722 | 6.718874 | 6.34807 | 6.519349 | 6.319401 | 5.880681 | 6.322447 | 6.451996 | 6.355445 | 6.362503 | 6.441943 | 5.897552 | 6.266122 | 5.746182 | 6.300118 | 6.357049 | 6.252235 | 6.277701 | 6.23202 | 6.137025 | 6.265719 | 5.925533 | 6.407571 | 6.387936 | 6.232524 | 6.380563 | 6.255918 | 6.356189 | 6.273561 | 6.623606 | 6.20978 | 6.251813 | 6.19059 | 6.194274 | 6.013175 | 6.375975 | 6.257067 | 5.966924 | 6.417405 | 6.392467 | 5.927439 | 6.387982 | 6.433897 | 5.926923 | 6.331481 | 6.245038 | 6.377289 | 6.217672 | 6.333766 | 6.31623 | 6.378164 | 6.294429 | 6.02901 | 6.088128 | 6.319174 | 6.397953 | 6.137934 | 6.104726 | 6.585437 | 6.581851 | 6.414454 | 6.57778 | 6.310679 | 6.166161 | 6.109177 | 6.528996 | 6.146632 | 6.327383 | 6.50541 | 6.212044 | 6.342985 | 6.2858 | 6.185742 | 6.417426 | 6.416697 | 6.36666 | 6.48772 | 6.412968 | 6.010593 | 6.279654 | [C][C][Branch1][C][C][C][=C][C][=Branch1][Branch1][=N][O][Ring1][Branch1][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][=C][C][=C] | -0.608676 | Q92630 | P22607 | P08922 | 6.137917 | 6.844732 | 6.783152 |
CN1C(=C(C=N1)Cl)C=2C=C(SC=2Cl)C(=O)N[C@@H1] | 5.010934 | 4.654672 | 6.30462 | 5.394837 | 4.893833 | 4.617005 | 5.12159 | 4.628262 | 4.775468 | 4.918139 | 4.788506 | 5.018914 | 4.817341 | 4.915527 | 4.673157 | 5.012034 | 4.743241 | 5.387868 | 4.7188 | 4.664938 | 4.413481 | 4.760284 | 4.876159 | 4.732828 | 4.924907 | 5.320193 | 4.862289 | 5.056689 | 4.767889 | 4.976384 | 5.188305 | 4.963405 | 4.971664 | 4.616034 | 4.828957 | 4.89278 | 4.806633 | 4.976086 | 5.079135 | 4.730361 | 4.679761 | 4.694643 | 4.769163 | 5.108882 | 4.848845 | 4.777574 | 4.601646 | 5.267147 | 5.063197 | 4.837926 | 5.134653 | 5.391445 | 4.995188 | 5.391492 | 5.127495 | 4.568824 | 5.040272 | 5.04481 | 5.295625 | 4.806871 | 5.105542 | 4.991412 | 4.629697 | 5.452464 | 6.490626 | 4.994302 | 4.8277 | 4.943604 | 4.572406 | 4.797081 | 5.137344 | 4.662451 | 5.271074 | 5.114445 | 4.851262 | 4.844025 | 4.701668 | 5.235421 | 5.196218 | 4.752781 | 4.760098 | 5.00822 | 4.758508 | 4.827973 | 5.035454 | 5.015158 | 4.672431 | 4.842927 | 4.882258 | 4.962465 | 5.11545 | 5.0898 | 4.806746 | 4.652199 | 5.089534 | 4.584678 | 4.641897 | 4.491894 | 4.387806 | 4.472818 | 5.17791 | 5.06919 | 4.878735 | 4.651233 | 4.618536 | 4.964294 | 4.932399 | 5.035172 | 4.956548 | 5.06589 | 4.988285 | 4.925092 | 4.899577 | 4.916371 | 4.50203 | 4.635315 | 4.573257 | 4.878554 | 4.714053 | 5.14777 | 4.707159 | 4.622343 | 5.001122 | 4.951383 | 4.914686 | 4.867471 | 5.107467 | 4.787502 | 4.522571 | 5.075205 | 5.004111 | 5.079454 | 5.083219 | 4.833323 | 5.101963 | 4.887453 | 4.729502 | 4.908059 | 5.05485 | 4.980186 | 4.759818 | 4.944185 | 4.801017 | 4.952254 | 4.911425 | 4.96691 | 5.211216 | 5.00658 | 5.084641 | 4.750516 | 5.162091 | 5.132674 | 5.104331 | 4.890741 | 4.406764 | 5.230296 | 5.086173 | 5.154873 | 4.864572 | 4.691293 | 5.116651 | 4.304331 | 4.411633 | 4.307589 | 4.455001 | 4.565161 | 5.26757 | 4.87332 | 5.174439 | 4.913969 | 4.872455 | 4.947996 | 5.077507 | 4.916779 | 4.661293 | 5.126976 | 4.909488 | 4.785217 | 5.111662 | 5.018872 | 5.090881 | 4.971861 | 4.713714 | 4.924508 | 4.708066 | 4.41422 | 5.006643 | 5.087525 | 4.852443 | 4.866454 | 4.711861 | 5.129321 | 5.101227 | 4.471533 | 5.14086 | 5.386097 | 5.137356 | 4.839765 | 5.203424 | 4.826491 | 4.951072 | 4.873243 | 4.972023 | 4.877562 | 4.754138 | 5.17039 | 4.748804 | 4.746634 | 5.26048 | 5.293021 | 5.029897 | 4.874443 | 4.81407 | 5.017671 | 5.420474 | 4.764945 | 4.475105 | 4.751472 | 5.072357 | 4.56097 | 4.845244 | 4.922454 | 4.93391 | 5.176825 | 5.003621 | 4.931064 | 4.96166 | 4.504192 | 4.982321 | 5.030271 | 5.220045 | 5.111434 | 4.70393 | 5.448758 | 4.810126 | 4.87859 | 4.923176 | 4.909696 | 4.910094 | 5.249897 | 4.922807 | 5.064057 | 4.752743 | 5.034682 | 5.0568 | 5.215216 | 4.936348 | 5.103347 | 4.77666 | 5.958072 | 5.067986 | 5.231187 | 4.759233 | 4.906919 | 5.199149 | 4.761001 | 5.1814 | 4.973874 | 5.006627 | 4.932299 | 4.676779 | 5.231283 | 4.843117 | 5.084908 | 4.769189 | 5.137593 | 4.679346 | 4.867715 | 6.457254 | 4.867863 | 5.100514 | 5.521053 | 4.819818 | 5.154709 | 4.863986 | 4.817881 | 4.997975 | 5.058227 | 5.307085 | 5.082417 | 4.825699 | 4.850838 | 5.039336 | 5.349529 | 5.220292 | 5.1816 | 4.818336 | 4.905441 | 5.165412 | 4.80065 | 5.002111 | 5.18102 | 4.988534 | 5.302941 | 4.92354 | 4.906772 | 4.921607 | 5.019147 | 5.111584 | 4.8931 | 5.283428 | 5.082774 | 4.808684 | 4.980503 | 5.048468 | 4.937961 | 5.205666 | 4.837874 | 5.11971 | 4.745191 | 5.16758 | 4.892464 | 4.88345 | 4.833487 | 4.818984 | 4.945489 | 4.963213 | 4.863649 | 5.1809 | 5.077809 | 5.005217 | 5.205444 | 4.558753 | 4.660736 | 5.174991 | 5.103883 | 4.761361 | 5.244556 | 4.985812 | 5.05663 | 5.075111 | 5.127967 | 4.994225 | 5.600852 | 4.850973 | 5.542957 | 5.442675 | 5.475132 | 4.77538 | 5.065995 | 5.326077 | 5.176449 | 5.139334 | 5.026321 | 5.019278 | 4.945089 | 4.805809 | 5.202908 | 4.722027 | 4.828849 | 5.005353 | 4.92476 | 4.773132 | 5.04866 | 4.984485 | 4.560514 | 4.890855 | 5.266594 | 5.065404 | 5.454132 | 4.924768 | 4.99649 | 4.869029 | 4.74009 | 4.946195 | 4.826407 | 4.607525 | 4.852415 | 5.0925 | 4.965756 | 4.728199 | 4.639428 | 5.020738 | 4.839872 | 4.765842 | 4.900638 | 5.110312 | 4.994251 | 4.745122 | 4.90447 | 4.947305 | 5.015333 | 4.843914 | 5.258632 | 5.096798 | 4.868834 | 4.670487 | 5.074001 | 4.864139 | 4.856127 | 4.610515 | [C][N][C][=Branch1][=Branch2][=C][Branch1][Branch1][C][=N][Ring1][Branch1][Cl][C][C][=C][Branch1][=Branch1][S][C][=Ring1][Branch1][Cl][C][=Branch1][C][=O][N][C@@H1] | -0.880737 | Q92630 | P11309 | Q86V86 | 5.111584 | 6.490626 | 6.457254 |
CC(C)C1=CC=CC(=N1)NC2=CC=NC(=N2)NC3=CC=C(C=C3)NCCN | 7.065088 | 7.066057 | 7.55107 | 7.35446 | 7.242553 | 7.044164 | 7.209091 | 7.37583 | 7.332461 | 7.271476 | 7.001794 | 7.064609 | 6.936628 | 7.181108 | 7.145545 | 6.977781 | 7.244766 | 7.056361 | 7.044046 | 6.849115 | 7.131795 | 6.951591 | 7.079556 | 7.372017 | 7.098231 | 7.316034 | 7.210253 | 7.063699 | 7.005228 | 7.244584 | 7.29291 | 7.400244 | 7.373484 | 7.173738 | 7.096195 | 7.255744 | 7.352777 | 7.185395 | 7.157944 | 6.954548 | 7.172038 | 7.253271 | 7.270366 | 7.386502 | 6.616662 | 6.652828 | 6.880143 | 7.134008 | 6.961792 | 7.173408 | 7.058918 | 7.312174 | 7.091358 | 7.137595 | 7.119429 | 6.861205 | 7.424815 | 7.112369 | 7.237884 | 7.213718 | 7.019252 | 7.320046 | 7.232382 | 7.080642 | 7.207657 | 7.302137 | 7.405683 | 7.061447 | 7.188918 | 7.449359 | 7.413711 | 7.10989 | 7.161212 | 7.053236 | 6.807332 | 7.368555 | 7.403944 | 7.325382 | 7.451339 | 7.278377 | 7.347225 | 6.747559 | 7.350775 | 7.301033 | 7.359001 | 7.292364 | 7.321154 | 7.292938 | 7.01092 | 7.13776 | 7.156053 | 7.342466 | 6.999437 | 7.235837 | 7.232149 | 7.289823 | 6.908264 | 6.98116 | 6.866964 | 6.883606 | 7.382917 | 7.435045 | 7.190228 | 7.055726 | 7.271892 | 7.172 | 7.227059 | 7.123779 | 7.024261 | 7.353905 | 7.404933 | 7.306895 | 7.04885 | 7.283576 | 6.992584 | 7.057546 | 6.849758 | 7.22594 | 6.764525 | 7.32986 | 7.10568 | 7.284506 | 7.278614 | 6.960421 | 7.184394 | 7.14561 | 6.937624 | 7.163182 | 7.316431 | 7.414864 | 7.072458 | 6.968179 | 7.038317 | 7.168991 | 7.30149 | 7.272082 | 7.006277 | 7.46569 | 7.253335 | 7.283657 | 7.08886 | 6.927828 | 7.146402 | 7.189651 | 7.025397 | 7.407441 | 7.123243 | 7.570093 | 7.28572 | 7.041914 | 7.156391 | 7.19385 | 7.358859 | 7.134109 | 6.841735 | 7.016023 | 7.332558 | 7.420163 | 7.004908 | 6.791118 | 7.190623 | 6.89242 | 6.734591 | 6.724577 | 6.846316 | 6.905028 | 7.305309 | 6.971317 | 7.448063 | 7.36727 | 7.137583 | 7.085405 | 7.212647 | 7.151191 | 7.291994 | 7.175513 | 7.218759 | 7.193527 | 7.048495 | 7.036076 | 7.214837 | 7.429366 | 7.205123 | 7.277214 | 7.016392 | 7.159559 | 6.99756 | 7.36411 | 7.200013 | 7.252903 | 7.277741 | 7.080494 | 6.933151 | 7.073844 | 7.335412 | 7.09364 | 7.132915 | 7.08077 | 7.214359 | 7.030945 | 7.229384 | 7.37385 | 6.970861 | 7.060309 | 7.089113 | 6.983044 | 6.809548 | 6.999589 | 7.288875 | 7.115453 | 7.359268 | 7.142919 | 7.144446 | 7.210179 | 7.406637 | 7.105715 | 6.993544 | 6.952391 | 6.836312 | 7.498307 | 6.871094 | 7.134369 | 7.150308 | 7.447732 | 7.257645 | 7.429879 | 7.192219 | 6.95341 | 7.410835 | 7.163862 | 6.805055 | 7.192008 | 7.196665 | 7.626497 | 6.936673 | 7.353082 | 7.095128 | 7.090342 | 7.065088 | 7.352877 | 6.747678 | 7.071392 | 7.24879 | 7.199932 | 6.789466 | 7.273427 | 7.098663 | 7.210373 | 6.971848 | 7.330986 | 7.243738 | 7.330334 | 6.82256 | 7.046366 | 7.25056 | 7.06741 | 7.223799 | 7.339422 | 7.260852 | 7.118083 | 7.149793 | 7.27709 | 7.34686 | 7.248769 | 7.11126 | 7.273822 | 7.184861 | 7.227974 | 7.266898 | 7.471785 | 6.822644 | 7.339365 | 6.645446 | 7.035248 | 7.163752 | 7.208047 | 7.124508 | 7.085501 | 7.168801 | 7.578691 | 7.202213 | 7.097463 | 7.080629 | 7.28087 | 7.28113 | 7.469592 | 7.209379 | 7.347704 | 7.346944 | 7.156672 | 7.086259 | 7.538928 | 7.222143 | 7.386341 | 7.031016 | 7.31917 | 7.098564 | 7.310741 | 7.050415 | 7.09001 | 7.43836 | 7.167692 | 7.457048 | 7.347937 | 7.291784 | 6.964031 | 6.866352 | 7.267597 | 7.188605 | 7.331298 | 7.096401 | 7.384976 | 7.415244 | 7.254169 | 7.347169 | 7.046529 | 7.213651 | 7.334561 | 7.222904 | 7.230704 | 7.303018 | 7.299421 | 7.365491 | 7.293367 | 6.87311 | 7.168588 | 7.022112 | 6.924567 | 7.356802 | 7.317515 | 7.225199 | 7.205135 | 6.880003 | 7.420044 | 7.158046 | 7.374331 | 6.983669 | 7.367341 | 7.056638 | 7.19682 | 7.345645 | 7.231505 | 7.443044 | 7.041579 | 7.10303 | 7.153715 | 7.221932 | 7.173834 | 7.169807 | 7.36261 | 7.600096 | 7.346226 | 7.164681 | 7.265423 | 7.138733 | 7.503966 | 7.280176 | 7.255375 | 7.19036 | 7.230325 | 7.163964 | 7.2241 | 7.202074 | 6.959929 | 7.057611 | 7.076838 | 7.240734 | 7.171372 | 6.974354 | 7.267791 | 7.190736 | 7.17977 | 7.323965 | 7.30975 | 7.184186 | 7.180681 | 7.408952 | 7.275128 | 7.134227 | 7.450371 | 7.363402 | 7.110828 | 6.996788 | 7.216545 | 7.02577 | 7.291209 | 7.004508 | 7.278742 | 7.171785 | 7.139979 | 7.014661 | [C][C][Branch1][C][C][C][=C][C][=C][C][=Branch1][Ring2][=N][Ring1][=Branch1][N][C][=C][C][=N][C][=Branch1][Ring2][=N][Ring1][=Branch1][N][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][N][C][C][N] | -0.519812 | Q92630 | Q16288 | Q9NRP7 | 7.050415 | 7.626497 | 7.600096 |
CC(C)C1=CC=CC(=N1)NC=CC=NC=N | 6.730149 | 7.074203 | 7.456373 | 6.410189 | 7.219703 | 6.365206 | 6.661869 | 7.01192 | 7.012134 | 6.564056 | 6.503349 | 7.148102 | 6.453463 | 7.080846 | 6.765864 | 6.398891 | 6.939992 | 6.681331 | 6.556541 | 6.632964 | 7.051215 | 6.772679 | 6.502129 | 7.321723 | 6.736433 | 6.374957 | 6.988903 | 6.859628 | 6.764193 | 6.63633 | 7.011678 | 6.610271 | 6.773033 | 6.424915 | 6.625995 | 6.627164 | 7.211845 | 6.430207 | 6.765512 | 6.777543 | 7.319584 | 7.076562 | 7.559901 | 7.05994 | 5.875001 | 6.011765 | 6.296217 | 6.698704 | 5.941922 | 6.488478 | 6.549812 | 6.954474 | 6.375323 | 6.426813 | 6.499278 | 6.204401 | 7.317729 | 6.221593 | 7.230138 | 6.342382 | 6.207695 | 6.86266 | 7.011859 | 6.444208 | 7.271873 | 7.022907 | 6.818845 | 6.323975 | 6.855736 | 7.03533 | 7.175253 | 6.880649 | 6.413565 | 6.498944 | 6.27367 | 6.580528 | 6.728577 | 6.981434 | 7.048518 | 6.74324 | 6.71778 | 6.660175 | 7.196689 | 7.515749 | 6.937465 | 6.959349 | 6.612697 | 6.468306 | 6.85372 | 6.656329 | 6.614233 | 6.898444 | 6.73554 | 6.583106 | 6.585368 | 6.714835 | 6.966028 | 6.762498 | 6.796928 | 6.567759 | 7.083666 | 6.88292 | 6.449739 | 6.809929 | 7.197289 | 6.907156 | 6.826579 | 7.089312 | 6.462023 | 6.873414 | 6.754403 | 6.793129 | 6.513704 | 6.62555 | 6.798769 | 6.87779 | 6.788879 | 7.133915 | 6.440961 | 6.966002 | 6.696057 | 6.786667 | 7.223811 | 6.256015 | 7.155886 | 7.004337 | 6.430979 | 6.919461 | 7.07991 | 7.236379 | 6.760846 | 6.463884 | 6.608876 | 6.667021 | 7.036284 | 7.31475 | 6.736096 | 6.657701 | 7.131957 | 7.122873 | 6.785171 | 6.508987 | 6.750636 | 6.683803 | 6.47881 | 6.650084 | 6.249305 | 7.004924 | 6.875475 | 6.794318 | 6.431836 | 6.810916 | 6.642317 | 6.655896 | 6.45829 | 6.631292 | 7.046851 | 7.442473 | 6.471328 | 6.584095 | 6.561156 | 6.668303 | 6.511727 | 6.327985 | 6.50449 | 6.744162 | 6.634661 | 6.419501 | 6.827191 | 6.913215 | 6.770633 | 6.825813 | 6.700563 | 6.788642 | 6.89526 | 6.586428 | 6.611579 | 6.746054 | 6.685503 | 6.638325 | 6.712732 | 7.122125 | 6.80497 | 6.809055 | 6.820821 | 6.830331 | 6.53069 | 7.078248 | 6.860108 | 6.846455 | 7.242769 | 6.602774 | 6.843564 | 6.988839 | 6.514006 | 6.736624 | 6.984334 | 6.635782 | 6.68883 | 6.756183 | 6.702188 | 6.842945 | 6.661259 | 6.498435 | 6.555875 | 6.560424 | 6.665954 | 6.492032 | 7.196311 | 6.835729 | 7.305462 | 6.43995 | 6.388039 | 6.528876 | 7.106496 | 7.144784 | 6.924845 | 6.783859 | 6.305189 | 6.952274 | 6.450064 | 6.454129 | 6.891671 | 7.015532 | 6.406118 | 7.51664 | 7.422296 | 6.711969 | 7.021614 | 6.442251 | 6.305797 | 6.687087 | 6.987872 | 6.995725 | 6.078605 | 6.539582 | 6.639258 | 6.79561 | 6.707777 | 6.718162 | 6.490317 | 6.841127 | 6.914402 | 6.717435 | 5.925166 | 6.466242 | 6.636659 | 6.773478 | 6.609318 | 6.942066 | 6.741817 | 7.00628 | 6.919883 | 6.950845 | 6.693902 | 6.874031 | 6.769053 | 7.10611 | 6.49845 | 6.752426 | 6.66257 | 7.024923 | 7.104966 | 6.594805 | 7.012639 | 6.650832 | 7.215983 | 7.052528 | 7.206505 | 7.268035 | 5.918537 | 6.798953 | 6.07837 | 6.451589 | 6.353318 | 6.807285 | 6.580227 | 6.90508 | 6.97738 | 6.517966 | 6.630747 | 6.905371 | 6.866391 | 6.944133 | 6.688323 | 6.841677 | 6.92589 | 6.724962 | 6.979547 | 6.774097 | 6.860949 | 7.220478 | 6.849522 | 7.077199 | 6.971189 | 7.115003 | 6.701616 | 6.75808 | 6.83176 | 6.425535 | 6.898913 | 6.99436 | 7.031615 | 7.136889 | 6.783091 | 6.375605 | 6.433007 | 7.175794 | 6.913466 | 7.208468 | 6.548057 | 7.074943 | 7.236567 | 6.817822 | 7.071912 | 6.836253 | 7.168919 | 6.478374 | 6.569245 | 6.701067 | 7.063779 | 7.193492 | 6.478384 | 6.850158 | 6.18325 | 6.647213 | 6.99204 | 6.676975 | 6.780714 | 7.198495 | 6.690072 | 6.643344 | 6.072738 | 6.973335 | 6.845742 | 6.886515 | 6.776658 | 6.94518 | 6.976075 | 6.86126 | 6.894293 | 7.168159 | 7.137828 | 6.692026 | 6.849501 | 6.934363 | 6.471332 | 6.619087 | 6.96341 | 7.196935 | 7.219264 | 6.835532 | 7.089133 | 7.033836 | 6.598137 | 6.937699 | 6.831356 | 6.839357 | 6.478073 | 6.859035 | 6.370571 | 7.010146 | 6.837968 | 6.892688 | 6.412684 | 6.672103 | 6.971141 | 6.482037 | 6.857862 | 6.67672 | 7.162109 | 7.164721 | 7.156229 | 7.003368 | 6.448644 | 6.755005 | 6.993838 | 6.580337 | 6.858928 | 7.46486 | 6.605089 | 6.829033 | 7.046418 | 6.66775 | 6.527967 | 7.041523 | 6.85323 | 6.962175 | 7.093306 | 6.758509 | 6.695374 | [C][C][Branch1][C][C][C][=C][C][=C][C][=Branch1][Ring2][=N][Ring1][=Branch1][N][C][=C][C][=N][C][=N] | -0.621926 | Q92630 | P04626 | Q15208 | 6.83176 | 7.559901 | 7.51664 |
CCN1CCN(CC1)CC2=CC=C(N=C2)NC=NC=CC#N | 6.77014 | 7.1426 | 7.475419 | 6.864361 | 7.352667 | 6.851886 | 7.22905 | 7.194867 | 7.111138 | 7.020108 | 6.73314 | 7.386748 | 6.505776 | 7.060617 | 6.802561 | 6.524824 | 6.755702 | 6.888068 | 6.953992 | 6.909247 | 7.03744 | 6.609115 | 7.035048 | 7.320491 | 6.862893 | 6.865782 | 7.271235 | 7.066636 | 7.060218 | 7.008946 | 7.35315 | 7.102216 | 6.89539 | 7.010928 | 7.207097 | 7.351147 | 7.039744 | 6.806805 | 7.080267 | 7.179602 | 7.459034 | 7.217326 | 7.539482 | 7.510327 | 6.77414 | 6.634559 | 6.761924 | 7.360918 | 6.892774 | 6.668386 | 7.135136 | 7.565914 | 7.034835 | 7.194046 | 7.077212 | 6.720634 | 7.359255 | 7.376672 | 7.359653 | 7.040075 | 7.033545 | 7.266402 | 7.059467 | 7.054384 | 7.485002 | 7.391014 | 6.915591 | 7.085249 | 7.106327 | 7.190319 | 7.051894 | 6.915354 | 6.971609 | 7.000741 | 6.857832 | 6.740047 | 7.225739 | 7.092603 | 7.076191 | 7.111399 | 6.954453 | 7.109494 | 7.51482 | 7.55536 | 7.37941 | 7.592175 | 6.717896 | 6.645285 | 7.093036 | 6.884789 | 6.990796 | 6.936854 | 7.033723 | 6.828808 | 6.906967 | 6.918645 | 7.336471 | 7.100197 | 7.045717 | 6.866452 | 7.276121 | 7.296895 | 7.117129 | 7.014638 | 7.055005 | 7.05349 | 7.346193 | 6.997561 | 7.246882 | 6.934175 | 7.181762 | 7.208631 | 7.034482 | 7.286427 | 6.926846 | 7.093251 | 7.077679 | 7.260142 | 6.939115 | 7.190216 | 6.93153 | 7.056993 | 7.558178 | 7.081367 | 7.364058 | 7.30071 | 7.022496 | 6.955165 | 7.148638 | 7.31972 | 6.892427 | 6.692708 | 7.231258 | 7.249684 | 7.196604 | 7.270738 | 6.983495 | 6.863743 | 7.25421 | 6.816292 | 6.967185 | 6.778128 | 7.200983 | 7.183126 | 6.860341 | 6.892518 | 7.294657 | 6.942087 | 7.433447 | 7.076151 | 6.750752 | 7.351451 | 6.965809 | 7.215992 | 6.821137 | 6.80722 | 7.253822 | 7.288187 | 6.633218 | 6.693071 | 7.007421 | 6.850965 | 6.903437 | 6.611981 | 6.813211 | 7.032202 | 7.330554 | 6.992217 | 7.048454 | 7.242505 | 6.987188 | 7.008012 | 6.864628 | 6.863777 | 6.767693 | 6.643814 | 6.681096 | 7.07849 | 7.191244 | 7.298602 | 6.921078 | 7.029032 | 7.124718 | 7.134222 | 7.078773 | 6.9021 | 6.708145 | 7.396184 | 6.961725 | 6.682924 | 7.366071 | 7.066896 | 7.159348 | 7.102826 | 6.91824 | 7.142442 | 7.167253 | 7.185598 | 7.147367 | 6.987395 | 7.23799 | 7.143074 | 7.003555 | 7.143632 | 6.885974 | 6.891087 | 6.985568 | 6.57571 | 7.222256 | 6.788129 | 7.277419 | 7.100412 | 7.097251 | 7.111752 | 7.163239 | 7.014053 | 7.018069 | 7.221477 | 6.69368 | 6.868898 | 6.962463 | 7.10681 | 7.491884 | 7.289167 | 7.044916 | 7.322066 | 7.661771 | 7.020014 | 7.234962 | 7.023239 | 6.654326 | 7.043193 | 7.130139 | 7.606115 | 6.62512 | 6.784917 | 6.772094 | 7.134485 | 6.83417 | 7.239813 | 6.626109 | 7.189707 | 6.972211 | 7.062401 | 6.5378 | 7.060372 | 7.115464 | 7.207316 | 6.77997 | 7.396723 | 6.845587 | 7.36571 | 7.154976 | 7.211071 | 7.26429 | 6.752028 | 7.119706 | 7.296994 | 6.90724 | 6.777442 | 7.117851 | 7.101875 | 7.05427 | 6.924555 | 7.094283 | 6.808353 | 7.301438 | 7.169908 | 7.521514 | 7.371904 | 6.697161 | 7.040082 | 6.836254 | 6.859526 | 6.787011 | 6.761976 | 6.749612 | 7.148677 | 7.322118 | 7.069319 | 7.252549 | 7.214983 | 6.88679 | 7.179896 | 6.942768 | 7.078271 | 7.056481 | 7.205162 | 7.097587 | 7.143371 | 7.109568 | 7.303346 | 7.283652 | 7.230285 | 7.057835 | 7.173101 | 7.273819 | 7.071436 | 6.804655 | 6.966649 | 7.2305 | 6.908422 | 7.095029 | 7.280445 | 7.09358 | 6.996758 | 7.002612 | 6.982182 | 7.066998 | 7.221461 | 7.251107 | 7.090503 | 7.362563 | 6.953127 | 7.430213 | 7.25538 | 7.131168 | 7.211318 | 7.145535 | 7.130686 | 7.164016 | 7.279796 | 6.733238 | 7.148438 | 6.990093 | 6.877847 | 7.017062 | 7.213868 | 6.993743 | 7.199574 | 7.19307 | 6.963603 | 6.927046 | 7.319638 | 7.149202 | 7.105266 | 7.437223 | 7.071287 | 7.077531 | 6.985469 | 7.232515 | 6.883711 | 7.105956 | 6.742651 | 7.268688 | 7.060868 | 6.971021 | 6.888716 | 7.180457 | 7.049082 | 7.349703 | 7.223354 | 7.150687 | 7.110355 | 6.901219 | 6.750387 | 7.002942 | 7.140134 | 6.80792 | 7.310408 | 6.800027 | 7.17935 | 7.058125 | 7.028478 | 6.903479 | 7.028579 | 7.22473 | 6.825328 | 6.90636 | 7.449847 | 7.330195 | 7.177608 | 7.38873 | 7.209418 | 6.867311 | 6.938602 | 7.024806 | 7.137083 | 7.029861 | 7.367149 | 7.016684 | 7.173018 | 7.065448 | 7.096943 | 6.979916 | 7.082121 | 7.192905 | 7.294099 | 7.243632 | 6.997024 | 6.937353 | [C][C][N][C][C][N][Branch1][Branch1][C][C][Ring1][=Branch1][C][C][=C][C][=C][Branch1][Branch1][N][=C][Ring1][=Branch1][N][C][=N][C][=C][C][#N] | -0.694769 | Q92630 | Q15303 | Q16288 | 6.804655 | 7.661771 | 7.606115 |
C[C@@H1]C1=NC2=CC=CC=C2C(=O)N1C=CC=C | 5.873432 | 6.144108 | 6.688366 | 6.047213 | 6.328601 | 6.11095 | 6.233427 | 6.016788 | 6.294538 | 6.036792 | 6.090053 | 6.001885 | 5.93338 | 6.121182 | 6.03756 | 5.931985 | 6.092748 | 6.210042 | 5.84078 | 5.91292 | 6.115307 | 6.086204 | 6.095895 | 6.226269 | 6.011907 | 6.103024 | 6.326446 | 6.09248 | 6.159329 | 6.040113 | 6.164948 | 6.053966 | 6.17095 | 6.093535 | 6.129042 | 6.254196 | 6.170231 | 5.661358 | 6.027766 | 6.119089 | 6.306112 | 6.157223 | 6.337465 | 6.65506 | 5.650952 | 5.994014 | 6.157038 | 6.105339 | 5.905439 | 6.10565 | 6.181168 | 6.453574 | 6.018816 | 6.220588 | 6.189075 | 6.126369 | 6.465802 | 6.139719 | 6.577841 | 6.095933 | 6.044339 | 6.296119 | 6.026582 | 6.103955 | 6.053822 | 6.227793 | 6.341462 | 6.011049 | 6.134008 | 6.071058 | 6.060687 | 6.041882 | 6.117002 | 6.233784 | 6.013851 | 5.674526 | 6.015796 | 6.335224 | 6.177393 | 6.087358 | 6.091341 | 5.87564 | 6.333091 | 6.421131 | 6.361094 | 6.308369 | 5.694775 | 5.509994 | 6.195441 | 6.125535 | 6.213892 | 6.28795 | 6.094947 | 6.119952 | 6.003375 | 6.157278 | 6.134208 | 5.972145 | 6.024389 | 5.859228 | 6.366297 | 6.334875 | 6.099876 | 6.082341 | 6.117694 | 6.109548 | 6.230474 | 6.056228 | 6.244851 | 6.271571 | 6.02208 | 6.037043 | 6.1785 | 6.228655 | 5.637659 | 6.201985 | 6.091578 | 6.321044 | 5.68905 | 6.400525 | 6.169322 | 5.6186 | 6.395197 | 5.970259 | 6.289213 | 6.232574 | 6.067276 | 6.212393 | 6.04545 | 6.249434 | 6.129594 | 6.146977 | 6.0535 | 6.243884 | 6.235989 | 6.310219 | 6.007367 | 6.393429 | 6.257236 | 6.279256 | 5.848865 | 5.789752 | 6.092165 | 6.09028 | 5.954872 | 6.199819 | 6.175464 | 6.154967 | 6.184327 | 5.9675 | 6.063581 | 6.193503 | 6.199502 | 6.160215 | 5.930949 | 6.05081 | 6.340241 | 6.287743 | 6.016173 | 5.999215 | 6.015979 | 5.897671 | 5.881212 | 5.611978 | 5.692772 | 5.959291 | 6.273152 | 5.819595 | 6.19027 | 6.255213 | 6.111008 | 6.224052 | 6.194503 | 6.086846 | 6.267409 | 5.969003 | 6.085527 | 6.030972 | 6.117251 | 6.367289 | 6.248228 | 6.142776 | 6.21553 | 6.250618 | 5.989987 | 5.131482 | 6.1167 | 6.308136 | 6.203017 | 6.072508 | 6.330166 | 6.09713 | 6.209834 | 6.05716 | 6.012636 | 6.090422 | 6.386356 | 6.153559 | 6.149559 | 6.062321 | 6.357379 | 6.161081 | 6.095307 | 6.084436 | 5.926434 | 6.190996 | 6.065118 | 5.855821 | 6.351378 | 6.07366 | 6.281462 | 6.040796 | 6.03811 | 6.108553 | 6.230699 | 6.144934 | 6.11686 | 6.15737 | 6.131645 | 6.271127 | 5.951122 | 6.180355 | 6.216331 | 6.072588 | 6.052511 | 6.153265 | 6.345201 | 5.891293 | 6.425132 | 6.064809 | 5.966754 | 6.121794 | 5.886863 | 6.637849 | 5.611172 | 5.87088 | 6.014222 | 6.004945 | 6.124276 | 6.357868 | 5.739207 | 6.013377 | 6.102911 | 6.051407 | 5.51475 | 6.080986 | 6.246027 | 6.155302 | 6.117619 | 6.518976 | 6.188287 | 6.269366 | 6.121521 | 6.158064 | 6.149062 | 5.956318 | 6.231463 | 6.152896 | 6.026377 | 6.17381 | 5.926572 | 6.286409 | 6.162374 | 5.946383 | 6.116963 | 6.118981 | 6.261866 | 6.245412 | 6.228891 | 6.259279 | 5.907161 | 6.329805 | 6.069118 | 6.134302 | 5.369184 | 6.143348 | 5.854507 | 6.000705 | 6.357817 | 6.039713 | 6.06001 | 6.054321 | 6.095072 | 6.232967 | 6.2256 | 6.19002 | 6.400675 | 6.132571 | 6.141487 | 6.061181 | 5.945272 | 6.431778 | 6.240183 | 6.204179 | 6.001888 | 6.29931 | 6.239474 | 6.026556 | 6.078144 | 6.180597 | 6.289676 | 5.964863 | 6.081605 | 6.401759 | 5.984392 | 5.84989 | 5.252949 | 6.030831 | 6.187984 | 6.174123 | 6.157769 | 6.250674 | 6.392885 | 6.136327 | 6.25912 | 6.128404 | 6.015493 | 6.221518 | 6.227716 | 6.0904 | 6.358421 | 6.203771 | 6.030509 | 6.029144 | 5.419775 | 6.178853 | 6.098925 | 6.187824 | 6.094649 | 6.194221 | 6.068591 | 5.935308 | 5.89889 | 6.214298 | 6.130231 | 6.390389 | 6.264678 | 6.404093 | 6.145525 | 6.134867 | 6.391398 | 6.376262 | 6.185814 | 5.933949 | 6.24824 | 6.164039 | 5.83361 | 6.141967 | 6.23328 | 6.160614 | 6.172361 | 6.075245 | 6.183378 | 6.217978 | 6.126031 | 6.197837 | 6.062056 | 6.368675 | 5.964859 | 6.283954 | 5.778685 | 6.276739 | 6.125833 | 6.095093 | 5.742931 | 6.056301 | 6.18047 | 6.164242 | 6.170045 | 6.197234 | 6.250298 | 6.178136 | 6.386994 | 6.20816 | 5.91106 | 6.145567 | 6.178249 | 6.136798 | 6.071876 | 6.174075 | 5.924854 | 6.127001 | 6.106897 | 6.163923 | 6.060045 | 6.181054 | 6.164978 | 6.177066 | 6.310382 | 6.120532 | 5.949606 | [C][C@@H1][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][O][C][=C][C][=C] | -0.544284 | Q92630 | O00311 | P04629 | 6.078144 | 6.688366 | 6.65506 |
CC1=CC=CC=C1NC=CC#N | 4.675903 | 4.548687 | 5.326806 | 4.759159 | 4.510989 | 4.506248 | 5.135906 | 4.460278 | 4.681467 | 5.154471 | 4.777065 | 4.547059 | 4.3725 | 4.911269 | 4.292012 | 4.678619 | 4.656793 | 4.967522 | 4.535672 | 4.489324 | 4.231225 | 4.834089 | 5.751199 | 4.311166 | 4.313258 | 5.148625 | 4.972589 | 4.726046 | 4.389669 | 4.670791 | 5.051474 | 4.84258 | 4.821764 | 4.277184 | 5.068848 | 4.761993 | 4.62558 | 4.584214 | 4.82727 | 4.688119 | 4.229767 | 4.568998 | 4.568192 | 5.066264 | 4.534867 | 4.494268 | 4.755735 | 4.708788 | 4.655603 | 4.673159 | 5.320453 | 6.103133 | 4.509635 | 4.748445 | 5.206592 | 4.765483 | 5.051634 | 4.860239 | 4.797124 | 5.379467 | 4.752734 | 4.951444 | 4.458332 | 5.75771 | 4.556111 | 6.042655 | 4.465454 | 4.825651 | 4.609533 | 4.456129 | 4.803252 | 4.470708 | 5.418736 | 5.408732 | 4.632845 | 4.156564 | 5.938513 | 5.163565 | 5.216127 | 5.004353 | 4.901856 | 4.025169 | 5.986008 | 5.58026 | 5.955588 | 6.014214 | 4.167698 | 4.113017 | 4.692718 | 5.633166 | 4.936263 | 4.575938 | 4.484793 | 4.798359 | 5.181656 | 4.692783 | 4.247537 | 4.095775 | 4.064042 | 3.935081 | 5.284885 | 4.813206 | 4.506198 | 4.055363 | 4.277109 | 4.500446 | 4.464236 | 4.532672 | 4.922956 | 4.608426 | 5.920389 | 5.858492 | 4.732559 | 5.961177 | 4.424212 | 4.583102 | 4.344669 | 4.48429 | 4.204273 | 5.358188 | 4.556314 | 4.065402 | 4.797375 | 4.576889 | 4.807971 | 4.974627 | 4.76597 | 4.533367 | 4.403518 | 4.455792 | 5.055332 | 4.820311 | 5.139953 | 4.751354 | 4.366401 | 4.872698 | 4.673195 | 5.203862 | 4.922119 | 4.977345 | 4.487398 | 4.777064 | 5.291504 | 5.31498 | 4.944459 | 4.766646 | 4.519319 | 4.993009 | 4.862486 | 4.433808 | 4.958693 | 5.27723 | 5.003159 | 4.667964 | 4.629074 | 4.882813 | 5.497973 | 5.018767 | 4.49263 | 4.510008 | 5.133826 | 3.947086 | 4.07636 | 3.910882 | 3.974164 | 4.159137 | 5.233106 | 4.437096 | 5.210502 | 4.719042 | 4.800402 | 5.286028 | 4.546488 | 4.61163 | 4.509331 | 5.106509 | 4.473324 | 4.646493 | 4.637096 | 5.111533 | 5.216688 | 5.12368 | 4.554586 | 5.355078 | 4.35697 | 3.896181 | 4.966603 | 4.790362 | 4.699288 | 4.534639 | 4.674909 | 5.022843 | 4.784836 | 4.054169 | 4.888005 | 5.055098 | 4.724821 | 4.783726 | 5.123811 | 4.444242 | 4.925003 | 4.894468 | 4.544867 | 4.762272 | 4.359606 | 5.091036 | 4.794689 | 4.370647 | 4.894591 | 4.976316 | 4.543551 | 5.047128 | 4.968518 | 5.067627 | 4.924485 | 4.51807 | 4.216511 | 4.659636 | 5.062614 | 4.819449 | 4.691105 | 4.563289 | 4.704116 | 5.045147 | 4.94305 | 4.421123 | 4.546153 | 4.081013 | 4.748154 | 4.546909 | 4.807638 | 4.360367 | 4.253535 | 5.229192 | 4.486937 | 4.172683 | 4.774391 | 4.84172 | 5.183047 | 4.933713 | 4.870215 | 4.633158 | 4.809755 | 5.270728 | 4.582031 | 5.062303 | 4.817728 | 5.255657 | 4.840735 | 5.923524 | 5.07437 | 4.830154 | 4.266058 | 4.506992 | 4.929592 | 4.682433 | 5.26153 | 4.678165 | 4.908875 | 4.901108 | 4.540606 | 4.784128 | 4.795148 | 5.006765 | 4.760151 | 5.095298 | 4.891825 | 4.798705 | 4.555034 | 4.851003 | 4.635701 | 5.34048 | 4.994521 | 5.345861 | 4.685206 | 4.959702 | 4.737365 | 5.084727 | 5.702593 | 4.963712 | 4.692462 | 4.635859 | 5.12827 | 4.502852 | 5.125793 | 5.193064 | 4.573486 | 4.405501 | 5.382526 | 4.999405 | 5.335813 | 4.596352 | 4.896692 | 5.036759 | 4.234064 | 4.926523 | 4.72251 | 4.787267 | 5.246154 | 4.525187 | 5.127584 | 4.53453 | 4.856552 | 4.775175 | 5.00003 | 4.660208 | 4.60434 | 4.69174 | 5.255527 | 4.958555 | 5.052078 | 5.190539 | 4.398937 | 4.735027 | 4.493648 | 4.470153 | 4.733688 | 4.464185 | 5.040929 | 4.907763 | 5.077132 | 4.744577 | 4.946926 | 4.352789 | 4.665532 | 5.317702 | 4.503938 | 4.398175 | 4.981546 | 5.167097 | 4.991426 | 4.492665 | 4.744999 | 5.469348 | 4.891397 | 5.370655 | 4.671779 | 5.391126 | 4.516602 | 4.956667 | 5.000651 | 5.133593 | 5.248616 | 4.628832 | 4.862023 | 4.782224 | 4.650685 | 5.069061 | 4.791651 | 4.556728 | 5.760285 | 5.26051 | 4.819 | 4.901879 | 4.877719 | 4.706284 | 4.769159 | 5.654181 | 5.031687 | 4.797462 | 4.632021 | 4.520016 | 4.969769 | 4.625322 | 4.51356 | 5.025331 | 3.993991 | 4.549992 | 4.935805 | 4.948582 | 4.972165 | 4.514279 | 4.894462 | 4.672215 | 4.863786 | 5.139194 | 5.199005 | 5.057617 | 4.285762 | 4.453338 | 4.540471 | 4.768838 | 4.584115 | 4.908189 | 5.458972 | 4.433375 | 4.354799 | 5.406575 | 4.499007 | 4.772198 | 4.404914 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=C][C][#N] | -0.694698 | Q92630 | P07333 | P11362 | 5.246154 | 6.103133 | 6.042655 |
CC(C)C1=CC=CC(=N1)N2C3=C(C=NC(=N3)NC4=CC=C(C=C4)N5CCN(CC5)C)C(=O)N2CC=C | 7.364158 | 7.42881 | 7.828691 | 7.602975 | 7.551356 | 7.284544 | 7.332594 | 7.412712 | 7.615919 | 7.567307 | 7.16328 | 7.680263 | 7.162479 | 7.467389 | 7.494411 | 7.097489 | 7.603398 | 7.336123 | 7.286252 | 7.064407 | 7.38798 | 7.098173 | 7.548865 | 7.656287 | 7.228616 | 7.486419 | 7.685385 | 7.393254 | 7.481363 | 7.432164 | 7.583364 | 7.567355 | 7.488079 | 7.412625 | 7.302249 | 7.419312 | 7.627529 | 7.350046 | 7.540547 | 7.310732 | 7.742244 | 7.633589 | 7.7863 | 7.826398 | 6.991926 | 7.231104 | 7.358146 | 7.559259 | 7.428083 | 7.134862 | 7.473322 | 7.61872 | 7.51566 | 7.418127 | 7.33211 | 7.244236 | 7.828697 | 7.462481 | 7.755795 | 7.546017 | 7.458981 | 7.799725 | 7.534257 | 7.315873 | 7.677188 | 7.656427 | 7.517684 | 7.548667 | 7.511303 | 7.683739 | 7.813162 | 7.378729 | 7.490153 | 7.391444 | 7.210026 | 7.623306 | 7.493545 | 7.780586 | 7.746667 | 7.332444 | 7.52391 | 7.435483 | 7.646516 | 7.635949 | 7.486793 | 7.700373 | 7.539519 | 7.539208 | 7.298057 | 7.439444 | 7.364489 | 7.509168 | 7.343584 | 7.128901 | 7.521275 | 7.227494 | 7.476526 | 7.4038 | 7.255929 | 7.410873 | 7.727053 | 7.825742 | 7.399726 | 7.369028 | 7.58997 | 7.391779 | 7.540989 | 7.390904 | 7.487821 | 7.532068 | 7.636428 | 7.55527 | 7.534967 | 7.680121 | 7.301471 | 7.43407 | 7.356224 | 7.595657 | 7.494816 | 7.882349 | 7.492166 | 7.6045 | 7.911938 | 7.28619 | 7.641148 | 7.455972 | 7.434599 | 7.418486 | 7.516818 | 7.525097 | 7.510479 | 7.353666 | 7.368532 | 7.380022 | 7.558135 | 7.632333 | 7.521164 | 7.720333 | 7.652342 | 7.580269 | 7.304435 | 7.349403 | 7.487288 | 7.451325 | 7.331101 | 7.364925 | 7.53776 | 7.548608 | 7.737773 | 7.335579 | 7.428391 | 7.711389 | 7.566156 | 7.41449 | 7.260049 | 7.27766 | 7.415133 | 7.52809 | 7.079313 | 7.239936 | 7.538843 | 7.243749 | 7.210814 | 7.123473 | 7.324778 | 7.324528 | 7.658351 | 7.206892 | 7.695291 | 7.563834 | 7.482214 | 7.487961 | 7.390841 | 7.441539 | 7.416214 | 7.173576 | 7.240168 | 7.539731 | 7.549436 | 7.514001 | 7.703269 | 7.716391 | 7.476044 | 7.529053 | 7.415946 | 7.513926 | 7.470595 | 7.702327 | 7.650552 | 7.181682 | 7.642738 | 7.443555 | 7.445354 | 7.406526 | 7.452084 | 7.42805 | 7.522714 | 7.463385 | 7.674629 | 7.475282 | 7.605342 | 7.443398 | 7.28926 | 7.433836 | 7.45027 | 7.181302 | 7.184919 | 7.022043 | 7.669816 | 7.329918 | 7.6264 | 7.294169 | 7.265668 | 7.377767 | 7.509088 | 7.418361 | 7.362704 | 7.403948 | 7.099033 | 7.535172 | 7.289724 | 7.400318 | 7.623766 | 7.793605 | 7.436882 | 7.688808 | 7.692041 | 7.338944 | 7.693133 | 7.522845 | 7.154375 | 7.390047 | 7.627727 | 7.847255 | 7.376587 | 7.637944 | 7.182369 | 7.299622 | 7.445328 | 7.59936 | 7.261755 | 7.518289 | 7.571243 | 7.503922 | 7.201049 | 7.376127 | 7.449698 | 7.556841 | 7.303003 | 7.508717 | 7.575347 | 7.747779 | 7.348724 | 7.496293 | 7.645964 | 7.434071 | 7.64681 | 7.837091 | 7.362249 | 7.48043 | 7.342641 | 7.595211 | 7.624291 | 7.524719 | 7.386809 | 7.679737 | 7.535917 | 7.48929 | 7.597223 | 7.871883 | 7.326367 | 7.640483 | 7.004155 | 7.324648 | 7.422235 | 7.375405 | 7.473793 | 7.460644 | 7.641448 | 7.589129 | 7.357848 | 7.499522 | 7.35894 | 7.500226 | 7.533463 | 7.703047 | 7.432641 | 7.718303 | 7.611205 | 7.461369 | 7.49443 | 7.591402 | 7.530491 | 7.734848 | 7.303418 | 7.599058 | 7.426789 | 7.544645 | 7.314621 | 7.381311 | 7.72016 | 7.574362 | 7.618006 | 7.692168 | 7.571589 | 7.277053 | 7.121482 | 7.470776 | 7.616864 | 7.713233 | 7.595733 | 7.713481 | 7.627897 | 7.564188 | 7.567429 | 7.418434 | 7.63265 | 7.643656 | 7.493182 | 7.60081 | 7.716494 | 7.740273 | 7.601748 | 7.518579 | 7.04647 | 7.607069 | 7.360753 | 7.282149 | 7.618517 | 7.772588 | 7.630891 | 7.371212 | 7.307055 | 7.519742 | 7.291615 | 7.69039 | 7.494078 | 7.706993 | 7.409334 | 7.486018 | 7.808842 | 7.48402 | 7.855766 | 7.37235 | 7.563072 | 7.51553 | 7.193507 | 7.32273 | 7.581314 | 7.624443 | 7.767352 | 7.655368 | 7.496318 | 7.587332 | 7.329144 | 7.462674 | 7.606965 | 7.653663 | 7.482718 | 7.522264 | 7.291892 | 7.507014 | 7.375201 | 7.180619 | 7.445338 | 7.175956 | 7.523325 | 7.467106 | 7.414186 | 7.51888 | 7.539351 | 7.45209 | 7.685551 | 7.485957 | 7.245713 | 7.506033 | 7.710196 | 7.397058 | 7.409803 | 7.697133 | 7.6619 | 7.413958 | 7.41131 | 7.436519 | 7.291314 | 7.552635 | 7.351887 | 7.439399 | 7.472893 | 7.490764 | 7.269815 | [C][C][Branch1][C][C][C][=C][C][=C][C][=Branch1][Ring2][=N][Ring1][=Branch1][N][C][=C][Branch2][Ring1][#C][C][=N][C][=Branch1][Ring2][=N][Ring1][=Branch1][N][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][N][C][C][N][Branch1][Branch1][C][C][Ring1][=Branch1][C][C][=Branch1][C][=O][N][Ring2][Ring1][Branch2][C][C][=C] | -0.535137 | Q92630 | P42679 | P41240 | 7.314621 | 7.911938 | 7.882349 |
CC1=CC=CC=C1N2C=C(C=N2)C(=O)C3=CC=CC=C3 | 6.076944 | 6.040393 | 6.416416 | 6.069417 | 6.181948 | 6.02562 | 6.15927 | 6.287387 | 6.190451 | 6.237636 | 6.151526 | 6.039837 | 5.882439 | 5.959249 | 6.097982 | 6.043147 | 6.187783 | 6.107018 | 6.060703 | 5.962152 | 6.134633 | 6.025379 | 6.134769 | 6.071079 | 6.007259 | 6.023999 | 6.095757 | 6.021247 | 6.091398 | 5.964832 | 6.050219 | 6.017691 | 6.162283 | 6.034056 | 6.030485 | 6.137431 | 6.283597 | 6.088156 | 6.062231 | 6.106353 | 6.178146 | 6.140081 | 6.271074 | 6.30143 | 5.891209 | 6.02594 | 6.389406 | 5.946022 | 5.913506 | 6.141441 | 6.18185 | 6.271928 | 5.956805 | 6.039282 | 6.040828 | 6.388794 | 6.357092 | 6.178247 | 6.454314 | 6.063118 | 5.96009 | 6.052142 | 6.042297 | 6.002136 | 6.054996 | 6.243496 | 6.218429 | 6.000995 | 6.46318 | 6.09589 | 6.115255 | 6.203313 | 5.979539 | 6.072659 | 6.106638 | 6.008125 | 6.110971 | 6.113716 | 6.058708 | 6.09043 | 6.026794 | 5.851933 | 6.331049 | 6.249438 | 6.379594 | 6.260206 | 5.983789 | 5.99093 | 6.039114 | 6.058447 | 6.145123 | 6.156266 | 6.159105 | 6.002208 | 6.146611 | 6.020865 | 5.96678 | 5.891106 | 5.933561 | 5.903762 | 6.44043 | 6.036711 | 6.035374 | 6.231784 | 6.299876 | 6.095128 | 6.13402 | 6.074979 | 6.042912 | 6.130858 | 6.153536 | 6.145087 | 6.224778 | 6.194084 | 5.673606 | 6.153539 | 6.040158 | 6.214819 | 5.698543 | 6.45932 | 6.200336 | 5.997586 | 6.302615 | 6.045214 | 6.317248 | 6.131588 | 6.021909 | 6.130619 | 6.120147 | 6.110039 | 6.016098 | 6.099039 | 5.999916 | 6.044924 | 6.384187 | 6.276184 | 6.118765 | 6.216403 | 6.31265 | 6.229139 | 6.030928 | 6.025194 | 6.053903 | 6.080936 | 5.971297 | 6.106328 | 6.129475 | 6.018885 | 6.006024 | 6.117731 | 5.933826 | 6.171506 | 6.259475 | 6.06236 | 6.229629 | 6.081571 | 6.30721 | 6.413464 | 6.043149 | 6.001082 | 6.074098 | 5.931083 | 5.719096 | 5.667139 | 5.744902 | 5.882531 | 6.17885 | 6.004149 | 6.165459 | 6.178216 | 6.416809 | 6.160958 | 6.1455 | 6.054541 | 6.078431 | 6.041802 | 6.102095 | 6.126791 | 6.14026 | 6.064281 | 6.121518 | 6.246927 | 6.123564 | 6.314466 | 5.940696 | 6.042348 | 6.074361 | 6.209634 | 6.385296 | 6.050814 | 6.35339 | 6.02456 | 6.228351 | 6.181689 | 6.052063 | 5.977615 | 6.128624 | 5.926345 | 6.124428 | 6.04745 | 6.226896 | 5.976919 | 6.129043 | 5.899638 | 6.27623 | 6.13669 | 6.093448 | 6.029449 | 6.164644 | 6.006097 | 6.207696 | 6.195298 | 6.13997 | 6.144529 | 6.042314 | 6.207847 | 6.19089 | 6.08122 | 6.169693 | 6.232041 | 6.048488 | 6.04189 | 6.025087 | 6.031775 | 5.948302 | 6.175605 | 6.107726 | 5.863814 | 6.145301 | 5.998567 | 6.114064 | 6.07044 | 6.10877 | 6.180524 | 5.871489 | 6.147992 | 6.008313 | 6.128509 | 6.173177 | 6.149165 | 5.643188 | 5.937137 | 6.01995 | 6.11933 | 5.395154 | 6.018624 | 6.117665 | 6.054537 | 6.081218 | 6.414354 | 6.158831 | 6.033916 | 6.106098 | 6.094401 | 6.010367 | 6.142879 | 6.093733 | 6.116422 | 6.028052 | 6.042839 | 6.015301 | 6.110547 | 6.165665 | 6.100864 | 6.12974 | 5.983794 | 6.204793 | 6.280539 | 6.188268 | 6.180134 | 5.834364 | 6.190113 | 6.07973 | 6.061329 | 5.817102 | 6.026951 | 5.898238 | 6.097628 | 6.276701 | 6.021429 | 6.024088 | 6.099765 | 6.164503 | 6.34527 | 6.128987 | 6.163957 | 6.229596 | 6.076184 | 6.046101 | 6.150689 | 6.132535 | 6.183822 | 6.183956 | 6.076848 | 6.040163 | 6.306222 | 6.153627 | 6.007935 | 6.004357 | 6.106738 | 6.104017 | 6.042314 | 6.19032 | 6.221137 | 6.126665 | 5.960456 | 6.008725 | 6.032849 | 6.090775 | 6.309734 | 5.984358 | 6.283352 | 6.328268 | 6.103604 | 6.215091 | 6.086373 | 6.005794 | 6.086905 | 6.189138 | 5.973327 | 6.323466 | 6.106775 | 6.164729 | 6.080566 | 5.730653 | 6.074875 | 6.110079 | 6.27035 | 5.997387 | 6.157045 | 6.051075 | 6.100201 | 5.908668 | 6.128169 | 6.134094 | 6.193011 | 6.142918 | 6.185531 | 6.131905 | 6.108124 | 6.078609 | 6.287366 | 6.129838 | 6.051661 | 6.163394 | 6.451426 | 6.097151 | 6.01781 | 6.34223 | 6.288332 | 6.209676 | 6.125375 | 6.211949 | 6.184039 | 6.024938 | 6.178408 | 6.079218 | 6.288099 | 6.069776 | 6.105616 | 6.017154 | 6.071304 | 5.990587 | 6.095279 | 6.007529 | 5.942233 | 5.989923 | 6.061699 | 6.150299 | 6.143504 | 6.221657 | 6.14192 | 6.304155 | 6.149948 | 6.038451 | 6.129195 | 6.187428 | 6.191843 | 6.151297 | 6.200207 | 6.096437 | 6.119597 | 6.023917 | 6.095339 | 6.079562 | 6.116378 | 6.172536 | 6.247124 | 6.122488 | 6.461232 | 6.007799 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=C][Branch1][Branch1][C][=N][Ring1][Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1] | -0.429124 | Q92630 | P14616 | Q9Y6M4 | 6.004357 | 6.46318 | 6.461232 |
CCN1CCN(CC1)CC2=CC=C(N=C2)NC3=NC=CC(=N3)C=C | 7.071344 | 7.204749 | 7.543492 | 7.078384 | 7.042892 | 7.067356 | 7.253643 | 6.699752 | 7.437593 | 6.805297 | 6.57785 | 7.426391 | 6.534711 | 7.289764 | 7.205923 | 6.312388 | 7.132925 | 6.819616 | 6.693164 | 6.734206 | 7.022743 | 6.679662 | 7.046563 | 7.598007 | 6.838272 | 7.144258 | 7.241153 | 6.979643 | 6.941075 | 7.214408 | 7.426008 | 7.434422 | 7.413075 | 7.073657 | 7.085112 | 7.200591 | 7.083562 | 6.449335 | 7.4062 | 6.970254 | 7.441762 | 6.983039 | 7.40535 | 7.472614 | 6.427516 | 6.297877 | 6.900383 | 7.374052 | 6.664351 | 6.968776 | 6.947402 | 7.449476 | 7.073769 | 7.164518 | 7.092326 | 6.121564 | 7.484168 | 7.164983 | 7.44522 | 7.142829 | 6.944289 | 7.467212 | 7.008692 | 7.081275 | 7.543894 | 7.269615 | 7.17392 | 6.881659 | 7.126196 | 7.242731 | 7.530591 | 7.128524 | 7.074516 | 6.76907 | 6.631073 | 7.034601 | 7.201752 | 7.385972 | 7.522974 | 7.139867 | 7.01571 | 7.164979 | 7.32003 | 7.451311 | 7.20848 | 7.304146 | 7.105032 | 6.875424 | 7.334536 | 7.035661 | 7.414508 | 7.486405 | 6.75841 | 7.086161 | 7.0141 | 7.187293 | 7.060052 | 7.077814 | 6.686845 | 6.876196 | 7.365719 | 7.51631 | 7.079439 | 6.759464 | 6.865379 | 7.190847 | 7.479645 | 7.348802 | 7.235782 | 7.51488 | 7.328997 | 7.232585 | 6.88105 | 7.364341 | 7.019111 | 6.939152 | 6.779378 | 6.961843 | 7.215095 | 7.401353 | 6.901803 | 7.269031 | 7.687053 | 6.922717 | 7.318923 | 7.269264 | 6.863322 | 7.197941 | 7.212383 | 7.585751 | 7.281721 | 7.066527 | 7.297309 | 7.352787 | 7.265748 | 7.2821 | 7.102842 | 7.468812 | 7.285495 | 7.177132 | 7.1564 | 6.905655 | 7.339167 | 7.287906 | 7.182517 | 7.08554 | 7.323795 | 7.4284 | 7.376575 | 6.957523 | 7.0233 | 7.516326 | 7.245888 | 7.323661 | 6.3095 | 6.743127 | 7.169135 | 7.471969 | 6.262129 | 6.86418 | 7.070068 | 6.514196 | 6.788944 | 6.394056 | 6.71651 | 6.778279 | 7.526756 | 6.81659 | 7.412842 | 7.496605 | 7.031514 | 6.973798 | 7.162143 | 7.185453 | 7.221687 | 7.363612 | 7.071728 | 7.113468 | 7.063446 | 7.270665 | 7.03922 | 7.289672 | 7.091976 | 7.402426 | 7.050475 | 7.176967 | 6.75435 | 7.424967 | 7.254444 | 7.107749 | 7.527057 | 7.077232 | 7.105499 | 6.911446 | 6.957568 | 7.302858 | 6.918434 | 7.238385 | 7.24612 | 6.844932 | 7.086295 | 7.580081 | 6.891143 | 7.199108 | 6.271842 | 6.968165 | 6.476023 | 6.196111 | 7.350689 | 7.282998 | 7.623161 | 7.18903 | 7.203785 | 7.284361 | 7.477908 | 6.660958 | 6.974942 | 7.435028 | 6.502943 | 7.096143 | 6.804186 | 7.310354 | 7.290075 | 7.607025 | 7.279262 | 7.50756 | 7.539229 | 6.975445 | 7.666447 | 7.262829 | 6.920021 | 7.113201 | 7.371307 | 7.713689 | 6.471745 | 6.763721 | 6.535669 | 7.173632 | 6.776394 | 7.366303 | 6.813119 | 7.289569 | 7.279132 | 7.030155 | 6.497652 | 7.145961 | 7.226847 | 7.217855 | 6.714731 | 7.531757 | 6.955376 | 7.457193 | 6.875418 | 7.093328 | 7.255659 | 6.921958 | 7.357485 | 7.293716 | 7.434132 | 6.858868 | 7.131494 | 7.308745 | 7.227636 | 7.034999 | 6.935924 | 7.059186 | 7.315265 | 7.234958 | 7.351593 | 7.452363 | 6.298642 | 7.292426 | 6.399763 | 6.726113 | 6.786914 | 6.613693 | 6.852585 | 7.29929 | 7.626531 | 7.551094 | 7.056229 | 7.123258 | 7.05541 | 7.330417 | 7.184782 | 7.447218 | 7.284304 | 7.472762 | 7.408134 | 7.324766 | 7.287716 | 7.566763 | 7.536715 | 7.447489 | 7.156665 | 7.409974 | 7.230322 | 7.284822 | 6.985249 | 7.114926 | 7.405171 | 7.267268 | 7.027809 | 7.518408 | 7.322479 | 6.683092 | 6.810655 | 7.298016 | 7.252841 | 7.09254 | 7.48911 | 7.223443 | 7.570763 | 7.205482 | 7.499966 | 7.193782 | 7.452335 | 7.256221 | 7.285748 | 7.053228 | 7.450511 | 7.580593 | 7.439141 | 7.0966 | 6.734202 | 7.004475 | 6.959677 | 7.038387 | 7.3768 | 7.676031 | 7.276096 | 7.245471 | 6.587997 | 7.383167 | 7.075242 | 7.355974 | 7.336037 | 7.343756 | 7.08436 | 7.179334 | 7.326396 | 7.114473 | 7.417625 | 7.086608 | 7.478958 | 6.967496 | 6.751368 | 7.0723 | 7.321355 | 6.960195 | 7.614208 | 7.347474 | 6.868203 | 7.353917 | 7.283668 | 6.735064 | 7.338324 | 7.140489 | 7.016435 | 7.377723 | 6.694842 | 7.069653 | 7.01637 | 6.959869 | 7.15901 | 7.109747 | 7.377181 | 7.188326 | 6.959686 | 7.294769 | 7.269358 | 7.072302 | 7.328692 | 7.409755 | 6.841233 | 7.3995 | 7.075516 | 7.320122 | 7.079394 | 7.553845 | 7.218086 | 7.338998 | 7.127792 | 7.302207 | 6.660998 | 7.209444 | 6.96898 | 7.240523 | 7.012445 | 6.990974 | 6.799126 | [C][C][N][C][C][N][Branch1][Branch1][C][C][Ring1][=Branch1][C][C][=C][C][=C][Branch1][Branch1][N][=C][Ring1][=Branch1][N][C][=N][C][=C][C][=Branch1][Ring2][=N][Ring1][=Branch1][C][=C] | -0.62211 | Q92630 | Q16288 | P42679 | 6.985249 | 7.713689 | 7.687053 |
CN1C(=C(C=N1)Cl)C=2C=CSC=2Cl | 4.847825 | 4.43941 | 4.858431 | 5.163733 | 4.589992 | 4.389631 | 4.81632 | 4.596025 | 4.605127 | 4.835757 | 4.651784 | 4.823442 | 4.663165 | 4.583266 | 4.340399 | 4.648426 | 4.575543 | 5.252454 | 4.755378 | 4.747489 | 4.131473 | 4.596764 | 4.757844 | 4.45459 | 4.611692 | 5.13525 | 4.663198 | 4.727798 | 4.488088 | 4.998304 | 4.609709 | 4.621984 | 4.765099 | 4.316116 | 4.718849 | 4.628552 | 4.600549 | 4.802943 | 4.974478 | 4.330104 | 4.483633 | 4.384903 | 4.622404 | 4.422623 | 4.74566 | 4.572688 | 4.502666 | 4.39718 | 4.536512 | 4.436717 | 4.861897 | 4.892566 | 4.324283 | 4.754442 | 4.514057 | 4.542572 | 4.736331 | 4.611804 | 4.802471 | 4.79953 | 4.453583 | 4.701521 | 4.29366 | 5.246197 | 4.721916 | 4.614767 | 4.523676 | 4.357793 | 4.399304 | 4.360238 | 5.050414 | 4.519922 | 5.215707 | 4.980447 | 4.688791 | 4.542152 | 4.905096 | 5.004133 | 4.891093 | 4.510126 | 4.674991 | 4.356979 | 4.436586 | 4.401381 | 4.583299 | 4.71338 | 4.383114 | 4.524631 | 4.568087 | 4.74226 | 4.866352 | 4.753851 | 4.580427 | 4.447975 | 4.93197 | 4.408088 | 4.169995 | 4.028537 | 4.134408 | 4.054001 | 4.945944 | 4.735104 | 4.446674 | 4.28097 | 4.48143 | 4.630966 | 4.340829 | 4.837241 | 4.569018 | 4.798508 | 4.888289 | 4.792542 | 4.70681 | 4.664182 | 4.38257 | 4.427333 | 4.316576 | 4.508674 | 4.481791 | 5.035313 | 4.575282 | 4.648438 | 4.859984 | 4.703801 | 4.685641 | 4.407027 | 4.683417 | 4.562605 | 4.490775 | 4.510516 | 4.658715 | 4.807712 | 4.84832 | 4.436493 | 4.505623 | 4.604869 | 4.685733 | 4.807648 | 4.684889 | 4.78215 | 4.320677 | 4.739395 | 4.632725 | 4.759545 | 4.687265 | 4.65523 | 4.678315 | 4.891177 | 4.529505 | 4.787684 | 4.867376 | 4.928771 | 4.817903 | 4.424237 | 4.483511 | 5.0182 | 4.35177 | 4.574386 | 4.483295 | 4.465359 | 4.764612 | 4.116579 | 4.045823 | 4.067202 | 4.071867 | 4.078098 | 4.874745 | 5.054004 | 4.869074 | 4.596602 | 4.565736 | 4.707295 | 4.668047 | 4.504793 | 4.481897 | 4.798957 | 4.508778 | 4.60481 | 4.643118 | 4.54114 | 4.932686 | 4.840556 | 4.409127 | 4.609646 | 4.733489 | 4.584109 | 4.917366 | 4.668661 | 4.749065 | 4.543425 | 4.645494 | 4.778022 | 4.819263 | 4.261654 | 4.894927 | 4.78996 | 4.64533 | 4.586988 | 4.878813 | 4.554054 | 4.506978 | 4.803405 | 4.599623 | 4.606089 | 4.60503 | 5.231262 | 4.324109 | 4.587379 | 4.814679 | 4.639143 | 4.650939 | 4.921349 | 4.934499 | 4.946336 | 4.811724 | 4.531798 | 4.308244 | 4.391284 | 4.992213 | 4.465921 | 4.727612 | 4.427376 | 4.505507 | 5.219383 | 4.733103 | 4.853045 | 4.641931 | 3.973012 | 4.695657 | 4.66481 | 4.632906 | 4.542069 | 4.628382 | 4.530839 | 4.656886 | 4.769977 | 4.550089 | 4.695698 | 4.829896 | 4.651282 | 4.74682 | 5.017263 | 4.627224 | 4.97367 | 4.915783 | 4.934633 | 4.493783 | 4.809273 | 4.297718 | 5.074947 | 5.117376 | 4.568433 | 4.526573 | 4.735099 | 4.508076 | 4.747473 | 4.950927 | 4.717208 | 4.832369 | 4.852397 | 4.274923 | 4.925587 | 4.696792 | 4.908214 | 4.522452 | 4.98376 | 4.565195 | 4.568527 | 4.72595 | 4.799096 | 4.79278 | 5.281314 | 4.628811 | 4.877102 | 4.555129 | 4.496945 | 4.958961 | 4.903736 | 4.77493 | 4.947758 | 4.65394 | 4.705591 | 4.925424 | 4.572986 | 4.888494 | 4.874269 | 4.714097 | 4.438973 | 4.786467 | 4.56993 | 4.916584 | 4.573555 | 4.709234 | 4.951462 | 4.636786 | 4.743484 | 4.820219 | 4.894322 | 4.83568 | 4.489398 | 4.741074 | 4.700016 | 4.776344 | 4.668222 | 4.918936 | 4.744696 | 5.20519 | 4.58147 | 4.843074 | 4.814329 | 4.886059 | 4.781052 | 4.526065 | 4.649958 | 4.801948 | 4.378863 | 4.748871 | 4.501394 | 4.765656 | 4.742991 | 4.733404 | 4.857872 | 4.371652 | 4.470813 | 5.265606 | 4.838653 | 4.446153 | 4.387235 | 4.79498 | 4.877643 | 4.840023 | 4.904982 | 4.577995 | 4.685706 | 4.591115 | 5.287086 | 4.940106 | 5.215435 | 4.437743 | 4.786225 | 4.841122 | 4.76182 | 4.904213 | 4.796776 | 4.677114 | 4.684623 | 4.666473 | 4.799011 | 4.627751 | 4.672962 | 4.828918 | 4.8055 | 4.611599 | 4.829064 | 4.64485 | 4.392883 | 4.764311 | 5.058232 | 4.87588 | 4.991288 | 4.62186 | 4.737535 | 4.4581 | 4.609037 | 4.896441 | 4.711821 | 4.018803 | 4.473826 | 4.935519 | 4.727273 | 4.573431 | 4.393445 | 4.760775 | 4.501756 | 4.555042 | 4.62435 | 4.884587 | 5.017477 | 4.444246 | 4.822281 | 4.867979 | 4.65956 | 4.518056 | 4.877627 | 4.837306 | 4.716269 | 4.524845 | 4.672444 | 4.549745 | 4.545455 | 4.365996 | [C][N][C][=Branch1][=Branch2][=C][Branch1][Branch1][C][=N][Ring1][Branch1][Cl][C][C][=C][S][C][=Ring1][Branch1][Cl] | -0.423054 | Q92630 | Q9H2X6 | Q86Z02 | 4.83568 | 5.287086 | 5.281314 |
CN1CCN(CC1)C2=CC=C(C=C2F)NC=NC3=C(C=C[NH1]3)C#N | 6.34855 | 6.766259 | 7.399563 | 6.524396 | 6.985184 | 6.596028 | 6.83316 | 6.837407 | 6.656592 | 6.50163 | 6.63633 | 6.727196 | 6.291531 | 6.676115 | 6.305989 | 6.354702 | 6.521355 | 6.903667 | 6.408426 | 6.383326 | 6.594387 | 6.47206 | 6.588169 | 6.763312 | 6.317599 | 6.502216 | 6.840839 | 6.673541 | 6.682444 | 6.494956 | 6.770285 | 6.57799 | 6.509807 | 6.392327 | 6.844906 | 7.088509 | 6.706062 | 6.554702 | 6.535159 | 6.547734 | 6.807847 | 6.669728 | 6.882702 | 7.279931 | 5.976554 | 6.278058 | 6.513012 | 6.462716 | 6.349226 | 6.408126 | 6.803487 | 7.261531 | 6.418227 | 6.625304 | 6.741128 | 6.442845 | 6.92435 | 6.685638 | 7.08215 | 6.408096 | 6.493614 | 6.712716 | 6.400839 | 6.610585 | 6.693659 | 6.888996 | 6.705846 | 6.367128 | 6.653475 | 6.583986 | 6.623419 | 6.387697 | 6.643476 | 6.602849 | 6.364009 | 6.222704 | 6.620659 | 6.69911 | 6.706754 | 6.644687 | 6.516938 | 6.259613 | 6.826968 | 7.179101 | 6.678771 | 7.007576 | 6.204188 | 6.172335 | 6.67002 | 6.372857 | 6.474997 | 6.464802 | 6.591927 | 6.479951 | 6.698864 | 6.562707 | 6.475204 | 6.32844 | 6.385281 | 6.245436 | 7.333186 | 6.947321 | 6.567907 | 6.413547 | 6.619773 | 6.621061 | 6.807338 | 6.482384 | 6.714741 | 6.475905 | 6.788424 | 6.80161 | 6.645333 | 6.867455 | 6.584527 | 6.902979 | 6.654002 | 6.951337 | 6.270873 | 7.044075 | 6.480927 | 6.138551 | 6.949172 | 6.616183 | 7.002703 | 6.72367 | 6.492817 | 6.492788 | 6.545847 | 6.696336 | 6.446681 | 6.379125 | 6.618573 | 6.748552 | 6.751034 | 7.190841 | 6.553287 | 6.584254 | 7.133978 | 6.838062 | 6.526644 | 6.375812 | 6.545022 | 6.884779 | 6.361096 | 6.480804 | 6.72374 | 6.715537 | 6.8583 | 6.385708 | 6.487643 | 6.656469 | 6.605916 | 6.628625 | 6.479081 | 6.810888 | 6.706587 | 6.875938 | 6.398152 | 6.310266 | 6.486817 | 6.348191 | 6.243577 | 6.154489 | 5.827611 | 6.285786 | 6.923244 | 6.39926 | 6.7821 | 6.935798 | 6.794518 | 6.622504 | 6.439391 | 6.422494 | 6.601097 | 6.438997 | 6.347626 | 6.369284 | 6.479488 | 6.924262 | 6.522119 | 6.602662 | 6.738101 | 6.822728 | 6.679658 | 6.187284 | 6.43184 | 7.064914 | 6.564021 | 6.328507 | 7.044625 | 6.594284 | 6.968078 | 6.630831 | 6.838541 | 6.650127 | 6.69661 | 6.803513 | 6.67368 | 6.652585 | 6.766088 | 6.570294 | 6.691636 | 6.649907 | 6.48911 | 6.551025 | 6.500273 | 6.189648 | 6.849193 | 6.564145 | 6.65166 | 6.702494 | 6.714171 | 6.736298 | 6.801722 | 6.859477 | 6.71766 | 6.587358 | 6.539183 | 6.671546 | 6.541542 | 6.77242 | 6.672334 | 6.572062 | 6.535536 | 7.059393 | 7.079123 | 6.265112 | 6.992074 | 6.444631 | 6.312025 | 6.502035 | 6.454495 | 7.177293 | 6.243491 | 6.318055 | 6.363311 | 6.475677 | 6.614301 | 6.733888 | 5.835767 | 6.629979 | 6.569819 | 6.615293 | 6.296115 | 6.730337 | 6.642262 | 6.778954 | 6.507945 | 7.069531 | 6.700144 | 6.989559 | 6.750529 | 6.87078 | 6.794896 | 6.582165 | 6.688128 | 6.621834 | 6.319905 | 6.593876 | 6.535865 | 6.804724 | 6.574201 | 6.66994 | 6.890353 | 6.45327 | 6.790795 | 6.902329 | 6.915457 | 7.040932 | 6.386161 | 6.915959 | 6.568724 | 6.833091 | 6.016 | 6.589294 | 6.393364 | 6.788735 | 6.979402 | 6.535078 | 6.825695 | 6.689188 | 6.762131 | 6.701284 | 6.684332 | 6.799625 | 7.004653 | 6.463347 | 6.680696 | 6.710574 | 6.730604 | 6.849517 | 6.738488 | 6.814914 | 6.408649 | 6.946813 | 7.073823 | 6.485655 | 6.741697 | 6.564147 | 6.905975 | 6.412932 | 6.747062 | 6.870758 | 6.72818 | 6.450044 | 6.411823 | 6.458673 | 6.58569 | 6.83389 | 6.540629 | 6.820127 | 6.975605 | 6.772436 | 6.911733 | 6.655144 | 6.604132 | 6.638234 | 6.923293 | 6.689535 | 6.80566 | 7.013609 | 6.406354 | 6.548559 | 6.440686 | 6.484849 | 6.46174 | 6.815238 | 6.576258 | 6.794631 | 6.603892 | 6.688947 | 6.442793 | 6.897087 | 6.889102 | 6.980675 | 6.772275 | 6.964061 | 6.50479 | 6.596725 | 6.687894 | 6.864314 | 6.72758 | 6.282488 | 6.719197 | 6.831987 | 6.758962 | 6.725881 | 6.830678 | 6.737963 | 6.797584 | 6.578962 | 6.904675 | 6.941929 | 6.618212 | 6.61559 | 6.522001 | 6.75096 | 6.585349 | 6.843172 | 6.462286 | 6.85637 | 6.533893 | 6.580559 | 6.323865 | 6.574461 | 6.519855 | 6.616414 | 6.879322 | 7.226686 | 6.840412 | 6.85644 | 7.298257 | 6.850703 | 6.436141 | 6.594942 | 6.92362 | 6.801467 | 6.411446 | 7.113745 | 6.528166 | 6.603239 | 6.492488 | 6.801336 | 6.810999 | 6.559678 | 6.756216 | 6.821276 | 6.886646 | 6.862827 | 6.390957 | [C][N][C][C][N][Branch1][Branch1][C][C][Ring1][=Branch1][C][=C][C][=C][Branch1][=Branch1][C][=C][Ring1][=Branch1][F][N][C][=N][C][=C][Branch1][=Branch1][C][=C][NH1][Ring1][Branch1][C][#N] | -0.576941 | Q92630 | O00311 | P29376 | 6.741697 | 7.399563 | 7.333186 |
Subsets and Splits