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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 |
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