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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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223396 85334967 1 N3O3C17H17 A3B3C17D17 -44.36 6.36 -8.97 -1.29 0
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223397 85334968 1 OSN3C17H17 ABC3D17E17 64.92 6.48 -8.6 -0.76 0
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223398 85334970 1 NOC21H29 ABC21D29 -63.38 5.14 -8.52 -0.35 0
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223399 85334972 1 SCl2N2O3H6C11 AB2C2D3E6F11 -60.15 9.75 -10.12 -1.92 0
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223400 85334974 1 FSN2O3H11C15 ABC2D3E11F15 -46.48 4.06 -9.96 -1.13 0
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223401 85334975 1 NSO2C18H25 ABC2D18E25 -83.09 5.12 -8.72 -0.7 1
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223402 85334980 1 O3N5C15H22 A3B5C15D22 -83.02 7.3 0.0 0.0 0
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223403 85334982 1 ON3C11H17 AB3C11D17 11.07 6.06 -8.41 -0.32 0
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223405 85334986 1 ClO2H17C20 AB2C17D20 -37.97 7.73 -9.29 -1.23 0
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223407 85334988 1 NOC22H31 ABC22D31 -54.74 5.73 -8.64 -0.2 0
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223408 85334989 1 O6C17H26 A6B17C26 -250.6 6.18 -9.95 -0.49 0
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223409 85334990 1 NSO4H13C17 ABC4D13E17 -54.84 2.91 -8.85 -1.52 0
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223411 85334996 1 SCl2N2O3H8C12 AB2C2D3E8F12 -61.18 3.78 -9.68 -1.62 0
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223412 85334998 1 ClN3O3H14C16 AB3C3D14E16 -44.4 5.78 -9.27 -1.47 0
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223413 85334999 1 SO2N4C16H20 AB2C4D16E20 -7.28 6.22 -9.07 -1.92 0
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223414 85335002 1 NF2O3H17C18 AB2C3D17E18 -151.51 1.44 -9.62 -0.73 0
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223415 85335005 1 ClON7C14H16 ABC7D14E16 24.8 7.05 -9.09 -0.74 0
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223416 85335007 1 O4H20C21 A4B20C21 -100.52 4.69 -8.76 -0.99 0
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223417 85335011 1 FO3H19C21 AB3C19D21 -110.66 6.77 -9.06 -1.19 0
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223418 85335013 1 SN2C21H26 AB2C21D26 33.51 7.76 -7.59 0.15 0
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223419 85335014 1 ClNO4C17H22 ABC4D17E22 -187.86 8.65 -9.44 0.04 -1
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223420 85335015 1 BrO4C15H16 AB4C15D16 -119.27 6.25 0.0 0.0 0
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223421 85335017 1 SN2O4H12C17 AB2C4D12E17 27.66 6.71 -10.1 -2.06 0
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223422 85335022 1 FO3N5H14C16 AB3C5D14E16 -21.5 6.32 -9.54 -0.74 0
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223423 85335024 1 FO2N3C19H26 AB2C3D19E26 -113.43 3.58 -8.79 -0.14 0
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223424 85335026 1 ClN2O2C19H21 AB2C2D19E21 -46.1 10.32 -8.74 -1.34 0
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223425 85335027 1 N2O2C19H20 A2B2C19D20 -6.91 7.09 -8.97 -1.13 0
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223427 85335029 1 ON5C19H31 AB5C19D31 -6.27 9.42 -8.7 -0.65 0
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223428 85335030 1 FN2O8C13H17 AB2C8D13E17 -399.16 5.34 -10.39 -0.37 0
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223429 85335032 1 S2N3O4H9C14 A2B3C4D9E14 -53.7 6.76 -9.16 -2.16 0
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223430 85335034 1 N2S2O5H8C14 A2B2C5D8E14 -112.33 6.1 -9.38 -2.01 0
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223431 85335035 1 SF2N2O3C15H22 AB2C2D3E15F22 -211.47 5.97 -8.82 -1.18 0
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223432 85335036 1 SN3O3C18H19 AB3C3D18E19 -59.25 4.33 -9.58 -1.29 0
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223433 85335038 1 ON2S2C19H22 AB2C2D19E22 -7.48 3.48 -8.72 -0.66 0
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223434 85335040 1 F2O3N4C16H18 A2B3C4D16E18 -155.23 4.38 -10.13 -0.46 0
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223435 85335041 1 O4N5H15C17 A4B5C15D17 -35.42 4.96 -9.38 -1.78 0
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223436 85335042 1 SN4O4C15H22 AB4C4D15E22 -58.14 5.63 -8.8 -2.08 0
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223437 85335043 1 O6C19H30 A6B19C30 -266.54 6.35 -9.6 -0.34 0
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223438 85335044 1 SN2O3C18H30 AB2C3D18E30 -150.39 7.17 -8.91 -0.34 0
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223439 85335045 1 ClN2O3H15C19 AB2C3D15E19 -65.32 6.8 -8.32 -1.25 1
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223440 85335047 1 O3N7C16H18 A3B7C16D18 18.04 9.24 0.0 0.0 0
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223441 85335048 1 O2N7C17H21 A2B7C17D21 36.56 4.76 -8.66 -0.75 0
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223442 85335049 1 N3O3C20H25 A3B3C20D25 -53.7 7.74 -8.81 -1.29 0
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223443 85335050 1 O2N5C19H25 A2B5C19D25 -13.84 8.63 -9.05 -1.2 0
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223444 85335053 1 SN4O4H12C16 AB4C4D12E16 -40.38 11.35 -9.2 -2.05 0
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223445 85335054 1 O3N4C19H24 A3B4C19D24 -57.52 7.61 -9.1 -1.23 0
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223446 85335055 1 O3C23H32 A3B23C32 -33.0 5.71 -9.29 -0.55 0
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223447 85335056 1 BrNO2F3H7C14 ABC2D3E7F14 -151.59 12.71 -9.01 -1.85 0
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223448 85335057 1 ON8C18H22 AB8C18D22 89.07 1.19 -8.67 -1.05 0
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223449 85335058 1 ClFNOC21H23 ABCDE21F23 -55.44 3.34 -9.05 -0.24 0
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223450 85335059 1 FSN2O4H15C17 ABC2D4E15F17 -165.82 7.57 -9.9 -0.9 0
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223451 85335064 2 PC11H18 AB11C18 -68.26 2.5 -8.35 0.82 0
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223452 85335065 1 NOSC22H37 ABCD22E37 -92.7 2.62 -8.88 0.41 0
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223453 85335066 1 O2N5C20H23 A2B5C20D23 27.83 11.73 -8.82 -1.56 0
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223454 85335067 1 ON6C20H32 AB6C20D32 20.19 1.68 -8.9 0.29 0
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223455 85335068 1 ON6C20H32 AB6C20D32 15.12 4.2 -8.59 0.24 0
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223456 85335069 1 NO3F4H13C18 AB3C4D13E18 -260.33 3.03 -8.43 -1.37 0
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223457 85335071 1 ClOF3N3H13C17 ABC3D3E13F17 -90.21 5.05 -10.12 -2.65 0
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223458 85335072 1 S2O3N4C15H22 A2B3C4D15E22 -57.25 6.65 -8.88 -2.06 0
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223459 85335073 1 O5C21H38 A5B21C38 -275.95 2.79 -9.98 -0.09 0
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223460 85335074 1 O5C22H28 A5B22C28 -203.61 3.34 -9.18 -0.2 0
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223461 85335075 1 O4C23H32 A4B23C32 -105.94 4.37 -9.13 -0.7 0
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223462 85335076 1 OSCl2N2H10C18 ABC2D2E10F18 66.91 2.55 -9.21 -1.16 0
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223463 85335077 1 SN7C19H19 AB7C19D19 124.63 5.76 -8.43 -0.81 0
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223464 85335081 1 O3C25H28 A3B25C28 -88.31 4.79 -8.65 -1.0 0
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223465 85335082 1 SN2O3C20H28 AB2C3D20E28 -107.99 5.33 -8.67 -0.96 0
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223466 85335083 2 ClNOC9H15 ABCD9E15 -147.5 3.43 -8.15 0.23 0
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223467 85335085 1 N3O6C18H23 A3B6C18D23 -206.4 5.16 -9.96 -0.68 0
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223468 85335086 1 SN3O3H15C20 AB3C3D15E20 78.17 7.39 -9.56 -1.64 0
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223469 85335088 1 ON3C24H31 AB3C24D31 6.81 4.57 -8.71 -0.82 0
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223470 85335089 1 ClSN3O4H14C16 ABC3D4E14F16 -114.83 2.27 -9.6 -1.21 0
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223472 85335093 1 ClO5C20H23 AB5C20D23 -160.33 9.21 -8.95 -0.87 0
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223473 85335094 1 ClO5C20H23 AB5C20D23 -159.81 7.42 -8.8 -0.8 0
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223474 85335095 1 O2F3N3C19H24 A2B3C3D19E24 -218.57 2.95 -8.7 -0.6 0
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223475 85335096 1 N3O3C22H25 A3B3C22D25 -59.04 4.58 -9.33 -0.34 0