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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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36451 8006994 1 ClSN3O4C18H18 ABC3D4E18F18 -116.99 2.96 -9.47 -0.88 0
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36452 8007025 1 ON7C15H19 AB7C15D19 24.89 4.95 -8.96 -0.59 0
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36453 8007027 1 ON7C15H19 AB7C15D19 27.92 4.08 -8.91 -0.6 0
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36454 8007041 2 ON3C8H11 AB3C8D11 -13.89 2.05 -8.4 0.1 1
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36455 8007042 1 ON4H17C18 AB4C17D18 77.29 4.1 0.0 0.0 0
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36456 8007054 1 O2F3N5C17H24 A2B3C5D17E24 -236.1 4.87 -8.97 -0.47 0
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36457 8007079 1 Cl2N3O3H15C19 A2B3C3D15E19 -69.27 7.77 -9.01 -1.65 0
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36458 8007087 1 SO2F3N5C17H20 AB2C3D5E17F20 -169.81 5.55 -8.92 -0.77 0
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36459 8007092 1 SN3O3H15C17 AB3C3D15E17 -2.45 4.72 -8.97 -1.99 1
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36460 8007109 1 N2O2C18H23 A2B2C18D23 -28.3 5.11 0.0 0.0 0
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36461 8007110 2 NOC9H11 ABC9D11 -44.3 3.89 -8.61 0.01 0
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36462 8007116 1 F2N2O3C18H20 A2B2C3D18E20 -182.2 4.02 -8.46 0.05 0
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36463 8007119 2 ClNOH7C8 ABCD7E8 -17.01 3.21 -8.67 -1.16 0
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36464 8007120 1 ClN2O2C16H17 AB2C2D16E17 -60.77 2.79 -8.9 -0.73 0
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36465 8007122 1 ClON4C15H15 ABC4D15E15 46.15 1.85 -8.41 -0.36 0
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36466 8007125 1 N2O3C17H18 A2B3C17D18 -73.75 1.59 -8.68 -0.42 0
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36467 8007150 1 F2O2N4H16C19 A2B2C4D16E19 -24.12 1.16 -8.34 -1.04 0
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36468 8007152 1 FO2N4C23H25 AB2C4D23E25 -11.91 8.95 -8.55 -0.73 0
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36469 8007173 1 O2F3N3H12C17 A2B3C3D12E17 -172.98 6.75 -9.14 -1.5 0
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36470 8007177 1 SN2O4H18C20 AB2C4D18E20 -41.28 5.4 -8.55 -0.57 0
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36471 8007179 1 SN2O5C19H22 AB2C5D19E22 -119.91 3.76 -8.29 -0.32 0
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36472 8007225 1 OSN4H18C19 ABC4D18E19 36.41 1.95 -8.96 -0.78 0
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36473 8007226 1 ClOS2N3H10C14 ABC2D3E10F14 45.69 4.82 -9.22 -1.76 0
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36475 8007245 1 OSF3N3H17C19 ABC3D3E17F19 -69.16 9.12 0.0 0.0 0
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36476 8007250 1 ON6H16C18 AB6C16D18 89.64 4.31 -8.76 -0.6 0
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36477 8007253 1 ClO2N4C20H23 AB2C4D20E23 -60.03 6.48 -7.98 -0.23 1
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36478 8007361 1 SO2N4C18H23 AB2C4D18E23 -7.1 6.92 0.0 0.0 0
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36479 8007363 1 N2O4C17H20 A2B4C17D20 -114.88 1.19 -9.1 -0.8 0
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36480 8007365 1 OSN4C17H22 ABC4D17E22 14.53 3.73 -8.73 -0.5 0
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36481 8007394 1 ClO3N4H15C17 AB3C4D15E17 31.38 6.37 -9.77 -1.16 0
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36482 8007410 1 ClSN2O3C19H19 ABC2D3E19F19 -72.04 9.26 -9.17 -1.84 0
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36483 8007413 1 NSF2O4H11C14 ABC2D4E11F14 -195.11 6.81 -9.58 -1.17 0
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36484 8007414 1 NSF2O4H11C14 ABC2D4E11F14 -198.86 6.13 -9.03 -1.24 -1
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36485 8007430 1 SCl2N2O4H11C17 AB2C2D4E11F17 -34.81 23.91 0.0 0.0 -1
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36486 8007432 1 SCl2N2O4H11C17 AB2C2D4E11F17 -71.71 4.34 0.0 0.0 0
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36487 8007445 1 N3O3C16H21 A3B3C16D21 -50.53 2.38 -8.42 -0.31 0
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36488 8007511 1 ClSN2O3C17H19 ABC2D3E17F19 -94.84 7.83 -9.84 -1.49 0
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36489 8007513 2 ON2C10H11 AB2C10D11 -31.66 4.86 -8.69 -0.32 1
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36490 8007515 1 S2N4O4C16H21 A2B4C4D16E21 -74.55 15.05 0.0 0.0 0
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36491 8007525 1 FOSN2C20H23 ABCD2E20F23 -59.48 5.25 -9.19 -0.92 0
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36492 8007531 1 N3O5C20H27 A3B5C20D27 -206.93 9.3 -9.36 -1.08 1
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36493 8007599 1 ClON4C13H20 ABC4D13E20 -3.05 3.94 0.0 0.0 1
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36494 8007614 1 N2C17H21 A2B17C21 46.77 1.34 0.0 0.0 0
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36495 8007642 1 ON5H17C22 AB5C17D22 112.9 3.87 -9.35 -1.36 0
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36496 8007644 1 N2O3H18C23 A2B3C18D23 -21.78 8.66 -8.22 -1.29 0
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36497 8007658 1 Cl2O2N3H11C13 A2B2C3D11E13 -7.6 7.09 -9.46 -1.47 0
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36498 8007659 1 N2O6C19H26 A2B6C19D26 -235.2 5.71 -8.46 -0.81 0
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36499 8007660 1 N2O6C19H26 A2B6C19D26 -236.11 6.56 -8.47 -0.75 0
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36500 8007700 1 ON2C16H22 AB2C16D22 5.89 3.74 -8.68 -0.15 0
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36501 8007702 1 O2S2N4C15H18 A2B2C4D15E18 -17.32 8.88 -8.8 -1.34 0
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36502 8007703 1 S2O3N4C16H20 A2B3C4D16E20 -55.72 5.38 -8.53 -1.26 0
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36503 8007704 1 ON2F4H16C23 AB2C4D16E23 -135.33 3.42 -9.04 -0.61 0
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36504 8007705 2 NO2C11H11 AB2C11D11 -62.32 1.8 -8.79 -0.57 0
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36505 8007706 2 NO2C11H11 AB2C11D11 -62.72 1.26 -8.82 -0.57 0
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36506 8007723 1 N2O5C21H28 A2B5C21D28 -216.82 6.42 -9.79 -1.6 0
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36507 8007726 1 ClFNO5H19C20 ABCD5E19F20 -197.44 6.93 -8.79 -0.6 0
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36508 8007729 1 N2O5C21H28 A2B5C21D28 -211.49 4.23 -9.92 -1.29 0
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36509 8007732 1 NO5C22H25 AB5C22D25 -153.95 2.06 -8.69 -0.22 0
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36510 8007735 1 SO3N4C16H20 AB3C4D16E20 -57.8 10.18 -9.01 -0.39 0
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36511 8007738 1 O3N5C17H23 A3B5C17D23 25.78 4.33 -9.06 -1.4 0
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36512 8007764 1 SN2F3O3C16H19 AB2C3D3E16F19 -244.11 5.27 -9.51 -1.03 0
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36513 8007830 1 F2N2O4H14C17 A2B2C4D14E17 -218.08 5.36 -8.44 -1.59 0
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36514 8007832 1 ClN2O5H15C17 AB2C5D15E17 -184.82 4.48 -8.48 -1.39 -1
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36515 8007860 1 NSO4C22H30 ABC4D22E30 -176.23 5.95 0.0 0.0 0
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36516 8007870 1 NO4H15C16 AB4C15D16 -119.54 4.32 -9.02 -0.73 0
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36517 8007877 1 F3N3O4H16C17 A3B3C4D16E17 -234.91 7.85 -9.06 -1.0 0
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36518 8007883 1 FSO2N3H16C19 ABC2D3E16F19 -20.67 3.48 -9.22 -0.67 0
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36519 8007889 1 SN3O3C19H21 AB3C3D19E21 -12.93 5.97 -8.47 -0.36 0
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36520 8007891 1 SF2O2N3H17C18 AB2C2D3E17F18 -95.48 4.31 -9.15 -0.59 0
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36521 8007909 1 FN2O3C20H21 AB2C3D20E21 -107.15 5.95 -8.94 -0.54 0
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36522 8007929 1 NSO4C13H19 ABC4D13E19 -147.03 6.74 -9.24 -0.6 1
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36523 8007932 1 N3O4C14H26 A3B4C14D26 -193.76 4.77 0.0 0.0 0
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36524 8007957 1 FOSN4C21H23 ABCD4E21F23 -15.07 3.18 -8.87 -0.83 0
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36525 8007991 1 N2H16C17 A2B16C17 97.31 0.87 -9.41 -0.24 -2
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36526 8008003 1 NO4C13H13 AB4C13D13 -96.98 3.28 -9.6 -0.35 0
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36527 8008014 1 N2O5C21H24 A2B5C21D24 -175.11 3.41 -8.97 -0.46 0
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36528 8008040 2 ON2C11H14 AB2C11D14 -79.38 2.46 -8.68 0.2 0
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36529 8008041 2 ON2C11H14 AB2C11D14 -79.28 5.83 -8.49 0.06 0
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36530 8008043 1 OSN3C15H17 ABC3D15E17 4.65 3.31 -9.14 -0.89 1
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36531 8008054 1 SN4C13H21 AB4C13D21 52.58 4.75 0.0 0.0 0
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36532 8008060 1 SN2O2C15H18 AB2C2D15E18 -57.8 3.44 -9.01 -0.63 0
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36533 8008065 1 ClN2O3C19H21 AB2C3D19E21 -101.97 4.86 -8.71 -0.7 1
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36534 8008067 1 ClN2O2C21H26 AB2C2D21E26 -43.22 6.26 0.0 0.0 0
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36535 8008079 1 ON3C27H29 AB3C27D29 39.72 2.44 -8.6 -0.81 1
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36536 8008091 1 O3N4C21H23 A3B4C21D23 -22.77 6.99 0.0 0.0 0
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36537 8008100 1 FSN2O4C21H23 ABC2D4E21F23 -179.47 6.72 -9.15 -0.8 0
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36538 8008104 1 BrFNO4C15H19 ABCD4E15F19 -205.09 0.6 -9.5 -0.8 0
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36539 8008127 1 SN2O5C19H22 AB2C5D19E22 -167.79 3.73 -8.72 -0.86 0
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36540 8008128 1 F3N3O3H20C21 A3B3C3D20E21 -215.88 6.71 -8.98 -0.87 0
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36541 8008129 1 NF2O3H17C18 AB2C3D17E18 -186.35 2.18 -8.73 -1.59 0
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36542 8008130 1 BrNO4C19H20 ABC4D19E20 -126.35 4.01 -8.84 -0.74 0
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36543 8008163 1 N3F4H13C15 A3B4C13D15 -134.87 5.41 -9.1 -0.86 0
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36544 8008191 1 NO2H21C23 AB2C21D23 -16.32 2.33 -8.92 0.03 0
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36545 8008211 1 SF3N4O4C30H31 AB3C4D4E30F31 -229.11 6.24 -8.78 -1.89 -1
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36546 8008219 1 BrN2O3H12C19 AB2C3D12E19 12.05 5.1 0.0 0.0 0
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36547 8008401 1 SCl2N2O3C16H16 AB2C2D3E16F16 -94.99 4.05 -9.78 -0.92 1
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36548 8008451 1 SN3O4C21H28 AB3C4D21E28 -109.53 10.36 0.0 0.0 1
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36549 8008472 1 N3O4C13H18 A3B4C13D18 -35.79 5.11 0.0 0.0 0
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36550 8008486 1 N2O5C24H26 A2B5C24D26 -127.93 2.18 -8.81 -1.06 0
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36551 8008492 1 ON2S2C20H24 AB2C2D20E24 9.47 5.93 -8.81 -0.62 1