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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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317352 126636694 1 ON2C7H18 AB2C7D18 -55.83 1.24 -8.94 2.08 0
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317354 126636696 1 F3C7H7 A3B7C7 -106.58 0.99 -10.02 -0.48 0
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317355 126636702 1 NSC11H13 ABC11D13 42.08 2.51 -7.88 0.02 0
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317357 126636706 1 NC12H21 AB12C21 6.95 2.34 -9.17 0.97 0
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317358 126636808 1 ISO8C21H29 ABC8D21E29 -319.82 7.53 -9.01 -2.48 0
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317359 126636809 1 O2C7N7H13 A2B7C7D13 41.6 7.12 -8.33 0.01 0
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317360 126636841 1 ClFO4C27H36 ABC4D27E36 -246.88 5.33 -9.35 -0.64 0
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317362 126636851 1 SN2O3C21H22 AB2C3D21E22 -42.55 4.4 -8.39 -0.55 0
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317363 126636866 1 IO2C9H15 AB2C9D15 -102.89 2.65 -9.78 -0.91 0
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317364 126636869 1 ClNO2F4C29H32 ABC2D4E29F32 -258.86 6.66 -9.29 -0.86 0
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317366 126636877 1 Cl2F2O2S2C37H52 A2B2C2D2E37F52 -223.18 0.47 -8.3 -1.28 0
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317368 126636881 1 ClFSO3C23H30 ABCD3E23F30 -196.7 2.21 -8.82 -0.5 0
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317370 126636888 1 FNO8C30H42 ABC8D30E42 -407.82 6.56 -8.95 -0.29 0
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317371 126636895 2 O4C13H15 A4B13C15 -278.0 11.04 -9.1 -0.46 0
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317372 126636924 1 FNCl2O4C30H34 ABC2D4E30F34 -196.96 9.23 -9.23 -0.96 0
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317375 126636930 1 NCl2C14H19 AB2C14D19 -20.56 3.29 -8.85 -0.32 0
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317376 126636934 2 NO3C11H12 AB3C11D12 -110.32 2.51 -8.83 -0.85 0
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317377 126636935 1 NCl2C13H17 AB2C13D17 -15.04 3.34 -8.88 -0.31 0
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317378 126636937 1 SF2N3O3C19H21 AB2C3D3E19F21 -159.4 3.87 -9.57 -1.05 0
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317379 126636939 1 OBr2C9H18 AB2C9D18 -79.16 2.88 -10.11 -0.29 0
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317380 126636940 1 O3C9H20 A3B9C20 -166.99 3.61 -10.01 1.81 0
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317381 126636941 1 BrN2O3C18H33 AB2C3D18E33 -142.73 1.91 -9.55 -0.12 0
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317383 126636945 1 N2C7H16 A2B7C16 -16.78 2.93 -9.38 1.14 0
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317384 126636946 1 SN3O5C20H33 AB3C5D20E33 -222.04 6.11 -9.45 -0.65 0
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317385 126636955 1 SF2O2N7C19H21 AB2C2D7E19F21 -47.32 8.62 -8.51 -1.0 0
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317386 126636957 1 N11O12C62H111 A11B12C62D111 -428.54 5.03 -7.6 -0.85 0
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317389 126636964 1 ClFIC7H11 ABCD7E11 -74.84 3.73 -9.94 -1.02 0
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317391 126636990 1 F2C7H12 A2B7C12 -112.2 1.84 -10.02 0.68 -1
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317395 126637206 1 ClFNO3C24H35 ABCD3E24F35 -207.48 5.4 -8.95 -0.42 0
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317396 126637220 1 N5H37C52 A5B37C52 277.34 3.24 -7.92 -1.28 0
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317397 126637227 1 SN2O2F3C10H13 AB2C2D3E10F13 -221.45 8.6 -10.36 -1.08 0
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317398 126637228 1 ClNO2S2C8H12 ABC2D2E8F12 -72.94 2.88 -9.51 -0.67 0
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317399 126637243 1 ClON5H18C23 ABC5D18E23 92.6 6.95 -8.64 -1.11 0
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317400 126637244 2 O3C12H13 A3B12C13 -215.24 7.16 -8.96 -1.09 0
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317401 126637250 1 BrON2H15C17 ABC2D15E17 33.51 5.01 -8.56 -0.73 0
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317403 126637282 1 NSO2C9H17 ABC2D9E17 -56.06 3.91 -8.91 0.32 0
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317404 126637284 1 ClFN5H21C22 ABC5D21E22 34.24 4.72 -8.87 -0.81 0
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317406 126637311 1 ClO4N5H26C28 AB4C5D26E28 -54.83 3.37 -8.73 -0.68 1
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317407 126637322 1 N4C9H21 A4B9C21 54.36 1.56 0.0 0.0 0
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317408 126637331 1 O4N6C25H28 A4B6C25D28 -68.23 5.52 -8.39 -0.6 0
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317409 126637347 1 NOC25H27 ABC25D27 59.39 3.56 -8.66 -0.91 0
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317410 126637348 1 ClO4N5C22H22 AB4C5D22E22 -81.8 2.07 -8.73 -0.75 0
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317411 126637377 1 ClF2O2N6H23C28 AB2C2D6E23F28 -45.55 2.76 -9.36 -1.21 0
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317412 126637380 1 ClN4O5C25H25 AB4C5D25E25 -116.16 4.0 -9.04 -0.95 0
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317414 126637422 2 N2O4C12H17 A2B4C12D17 -304.4 2.65 -9.07 -0.66 0
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317415 126637436 1 BrClO2N4H16C20 ABC2D4E16F20 23.73 2.01 -9.14 -1.12 0
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317416 126637438 1 O4N5C17H23 A4B5C17D23 -103.42 4.52 -8.46 -0.6 0
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317418 126637462 1 BrClNOH5C9 ABCDE5F9 35.72 3.47 -9.25 -1.47 0
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317419 126637570 1 O2F3N6C24H25 A2B3C6D24E25 -165.9 1.62 -8.61 -1.14 0
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317420 126637582 1 F2O2N6C27H30 A2B2C6D27E30 -119.55 3.41 -8.64 -0.75 0
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317421 126637583 2 FON3C12H13 ABC3D12E13 -112.98 4.6 -8.74 -0.67 0
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317422 126637584 2 FN3C12H13 AB3C12D13 -27.22 6.09 -8.47 -0.78 0
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317423 126637586 1 ClO2N6C21H21 AB2C6D21E21 3.45 2.33 -8.9 -1.01 0
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317426 126637600 1 ClN4O4H23C24 AB4C4D23E24 -80.29 3.99 -8.86 -1.22 0
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317427 126637601 1 Cl2O4N5H19C24 A2B4C5D19E24 -43.62 6.06 -9.47 -1.79 0
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317429 126637614 1 ClO2N3H18C21 AB2C3D18E21 8.56 3.57 -8.74 -0.95 0
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317430 126637618 1 ClN5O8C33H40 AB5C8D33E40 -300.1 6.33 -9.08 -1.01 0
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317431 126637620 1 N5O6C32H39 A5B6C32D39 -200.11 5.73 -8.85 -0.69 0
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317432 126637623 1 NC18H25 AB18C25 11.71 3.79 -9.15 -0.2 0
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317433 126637638 1 O2N5C24H25 A2B5C24D25 -6.14 4.21 -8.72 -0.67 0
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317434 126637642 1 SN3O4H19C20 AB3C4D19E20 -74.87 4.69 -8.88 -0.97 0
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317435 126637643 1 O4N5C23H23 A4B5C23D23 -69.76 3.34 -8.51 -0.55 0
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317437 126637659 1 O3N6H20C21 A3B6C20D21 -20.37 2.42 -8.7 -1.22 0
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317439 126637668 1 ClO2N5C26H28 AB2C5D26E28 -14.08 6.78 -8.63 -0.83 0
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317440 126637670 1 ClON4C24H29 ABC4D24E29 -8.56 4.71 -9.11 -0.6 0
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317441 126637674 1 ClN5C25H28 AB5C25D28 62.78 5.88 -8.4 -0.8 0
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317442 126637676 1 N2O3C19H24 A2B3C19D24 -94.15 2.24 -9.09 -0.81 0
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317444 126637689 1 Cl2N4O4H20C23 A2B4C4D20E23 -78.59 4.85 -8.98 -1.31 0
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317445 126637690 1 ClF3N4O4H20C24 AB3C4D4E20F24 -224.84 5.77 -9.46 -1.45 0
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317446 126637691 1 ClO4N5H20C22 AB4C5D20E22 -55.57 3.93 -9.14 -1.29 0
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317449 126637700 1 IO4N6C27H31 AB4C6D27E31 -46.15 4.81 -8.53 -0.81 0
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317451 126637727 1 F3O4N5H22C24 A3B4C5D22E24 -231.14 3.8 -8.75 -1.47 0
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317453 126637743 1 N2O3C19H22 A2B3C19D22 44.4 3.4 -8.5 -0.93 0
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317454 126637754 1 FO2N6C25H27 AB2C6D25E27 -57.11 3.93 -8.64 -0.82 0
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317455 126637941 1 OF3N5C25H26 AB3C5D25E26 -120.15 3.08 -8.85 -0.76 0