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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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65051 29204401 1 IN2O4C15H17 AB2C4D15E17 -74.33 5.68 -9.0 -0.8 0
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65052 29204403 1 IN2O4C15H17 AB2C4D15E17 -73.02 4.62 -9.18 -0.94 0
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65053 29204404 1 IN2O4C15H17 AB2C4D15E17 -75.31 4.05 -9.16 -0.93 0
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65054 29204406 1 ClION3C15H17 ABCD3E15F17 9.54 6.7 -8.8 -0.66 0
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65055 29204407 1 ClION3H17C19 ABCD3E17F19 40.84 6.69 -8.76 -0.64 0
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65056 29204408 1 ISN3O3H14C15 ABC3D3E14F15 -76.4 4.1 -9.05 -0.84 -1
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65057 29204409 1 ISN3O4H11C15 ABC3D4E11F15 0.24 5.97 0.0 0.0 0
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65058 29204410 1 ISN3O4H12C15 ABC3D4E12F15 -26.06 11.45 -8.73 -1.79 0
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65059 29204411 1 IN2O3H15C17 AB2C3D15E17 -54.2 4.49 -8.89 -0.72 0
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65060 29204412 1 INF2O2H12C15 ABC2D2E12F15 -130.28 3.16 -9.05 -0.85 0
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65061 29204413 1 IN2O3H13C18 AB2C3D13E18 -21.2 7.71 -8.83 -1.13 0
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65062 29204414 1 IN2O2C13H17 AB2C2D13E17 -72.42 5.95 -8.81 -0.66 0
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65063 29204415 1 ISN3O3H14C15 ABC3D3E14F15 -59.84 8.99 -8.76 -1.31 0
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65064 29204416 1 ISN3O3H16C18 ABC3D3E16F18 -25.2 9.66 -8.74 -1.47 0
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65065 29204417 1 FION3H15C18 ABCD3E15F18 3.22 3.91 -8.81 -0.88 0
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65066 29204418 1 IN2O3H13C16 AB2C3D13E16 -58.47 6.67 -8.96 -0.89 0
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65067 29204423 1 ClISN2O4H14C15 ABCD2E4F14G15 -71.27 5.3 -9.05 -1.46 0
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65068 29204424 1 ISN3O4C17H20 ABC3D4E17F20 -140.99 6.59 -9.0 -1.1 0
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65069 29204425 1 ISN3O4C17H20 ABC3D4E17F20 -139.84 5.22 -9.07 -0.87 0
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65070 29204426 1 N2O4C19H26 A2B4C19D26 -112.6 3.43 -8.63 -0.52 0
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65071 29204427 1 N2O4C19H26 A2B4C19D26 -108.53 3.89 -8.57 -0.86 0
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65072 29204428 1 N2O4C19H26 A2B4C19D26 -116.27 4.8 -8.83 -0.6 0
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65073 29204429 1 N2O4C19H26 A2B4C19D26 -112.98 4.11 -8.82 -0.6 0
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65074 29204430 1 SN3O3C19H23 AB3C3D19E23 -115.34 3.0 -8.81 -0.67 -1
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65075 29204431 1 SN3O4C19H20 AB3C4D19E20 -35.44 5.04 0.0 0.0 0
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65076 29204433 2 NOC9H12 ABC9D12 -47.71 2.1 -8.66 -0.38 0
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65077 29204434 1 NSO3C19H23 ABC3D19E23 -106.9 4.88 -8.53 -0.75 0
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65078 29204435 1 NO4C20H23 AB4C20D23 -125.95 5.36 -8.54 -0.45 0
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65079 29204437 1 N2O3C20H22 A2B3C20D22 -95.04 4.27 -8.49 -0.68 0
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65080 29204438 1 ClSN2O4C22H27 ABC2D4E22F27 -167.55 3.27 -8.65 -0.92 0
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65081 29204441 1 ClN2S2O5C21H27 AB2C2D5E21F27 -192.54 10.75 -8.92 -1.51 0
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65082 29204442 1 ClSN2O4C22H27 ABC2D4E22F27 -159.91 6.9 -8.6 -0.89 0
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65083 29204443 1 ClSN2O4C22H27 ABC2D4E22F27 -162.23 6.81 -8.76 -0.99 0
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65084 29204445 1 BrSN2O4C22H27 ABC2D4E22F27 -158.71 4.86 -8.54 -0.9 0
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65085 29204446 1 SN2O5C23H30 AB2C5D23E30 -191.8 7.71 -8.78 -0.64 0
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65086 29204448 1 SN3O4C22H25 AB3C4D22E25 -113.44 5.5 -9.27 -0.8 0
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65087 29204449 1 SN3O5C24H31 AB3C5D24E31 -182.81 6.67 -9.08 -0.55 0
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65088 29204451 1 SN3O5C26H33 AB3C5D26E33 -164.16 6.91 -9.0 -0.72 0
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65089 29204452 1 SN3O5C24H31 AB3C5D24E31 -175.56 6.32 -9.22 -0.59 0
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65090 29204453 1 ClSO3N4C24H27 ABC3D4E24F27 -59.78 12.15 -8.97 -0.79 0
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65091 29204454 1 SN4O5C22H26 AB4C5D22E26 -91.69 6.27 -9.16 -1.08 0
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65092 29204456 1 N2O3S3C19H28 A2B3C3D19E28 -126.97 5.11 -8.42 -1.09 0
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65093 29204457 1 N2O3S3C19H28 A2B3C3D19E28 -125.57 7.07 -8.42 -1.11 0
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65094 29204459 1 SN3O6C20H27 AB3C6D20E27 -173.55 5.28 -9.19 -1.06 0
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65095 29204461 1 SN3O6C20H27 AB3C6D20E27 -176.66 6.42 -9.47 -0.77 0
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65096 29204463 1 SO3N4C25H30 AB3C4D25E30 -66.41 9.63 -8.91 -0.4 0
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65097 29204466 1 SN4O4C19H22 AB4C4D19E22 -119.35 10.31 -9.11 -0.87 0
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65098 29204467 1 SN3O4C17H23 AB3C4D17E23 -154.78 6.59 -9.34 -0.57 0
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65099 29204468 1 S2O3N4C24H28 A2B3C4D24E28 -46.43 9.24 -8.77 -0.59 0
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65100 29204470 1 SN3O4C18H23 AB3C4D18E23 -102.95 6.7 -9.3 -0.78 0
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65101 29204471 1 SN4O5C25H28 AB4C5D25E28 -116.41 8.46 -8.63 -0.51 0
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65102 29204472 1 SN3O5C21H23 AB3C5D21E23 -161.42 4.46 -9.16 -0.69 0
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65103 29204474 1 SN4O5C21H26 AB4C5D21E26 -102.82 14.03 -9.05 -0.86 0
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65104 29204475 1 SO3N4C22H24 AB3C4D22E24 -34.95 6.92 -9.09 -1.11 0
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65105 29204476 1 S2N3O6C20H25 A2B3C6D20E25 -161.32 6.98 -9.17 -1.31 0
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65106 29204477 1 N2S3O5C17H24 A2B3C5D17E24 -196.58 6.83 -9.3 -0.72 0
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65107 29204479 1 F2S2O3N4C21H22 A2B2C3D4E21F22 -151.73 5.51 -9.43 -1.28 0
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65108 29204481 1 SO3N5C25H25 AB3C5D25E25 1.47 4.69 -9.23 -1.12 0
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65109 29204482 1 SN3O5C23H31 AB3C5D23E31 -186.96 11.9 -8.98 -0.83 0
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65110 29204483 1 SN3O5C25H33 AB3C5D25E33 -168.82 6.77 -9.0 -0.76 0
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65111 29204484 1 SN3O5C23H31 AB3C5D23E31 -180.78 7.5 -9.2 -0.55 0
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65112 29204485 1 SN4O5C21H26 AB4C5D21E26 -93.66 8.03 -9.18 -1.12 0
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65113 29204486 1 SCl2O3N4C22H24 AB2C3D4E22F24 -63.97 4.56 -9.07 -0.71 0
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65114 29204487 1 SO3N4C22H26 AB3C4D22E26 -54.84 4.41 -9.05 -0.63 0
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65115 29204490 1 SO3N4C23H28 AB3C4D23E28 -61.78 7.15 -8.95 -0.36 0
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65116 29204491 1 SN3O6C19H27 AB3C6D19E27 -178.71 7.14 -9.22 -0.71 0
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65117 29204493 1 SN3O6C19H27 AB3C6D19E27 -182.34 0.65 -9.4 -0.71 0
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65118 29204494 1 SN3O6C19H27 AB3C6D19E27 -183.78 1.49 -9.48 -0.71 0
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65119 29204495 1 ClSO3N4C19H27 ABC3D4E19F27 -97.05 9.37 -9.03 -0.59 0
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65120 29204496 1 ClSO3N4C23H27 ABC3D4E23F27 -63.46 6.98 -9.05 -0.55 0
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65121 29204498 1 SN3O3C21H25 AB3C3D21E25 -72.77 3.96 -8.69 -0.53 0
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65122 29204500 1 SN4O4C19H24 AB4C4D19E24 -130.16 5.03 -9.21 -0.82 0
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65123 29204501 1 S2O3N4C23H28 A2B3C4D23E28 -56.56 4.79 -9.02 -0.67 0
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65124 29204502 1 SN3O5C21H25 AB3C5D21E25 -164.8 7.36 -9.15 -0.53 0
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65125 29204503 1 S2N3O4C18H25 A2B3C4D18E25 -153.05 8.61 -8.89 -0.49 0
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65126 29204504 1 SN3O5C22H23 AB3C5D22E23 -125.22 9.9 -9.12 -1.13 0
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65127 29204505 1 SN4O4C22H30 AB4C4D22E30 -145.94 6.57 -9.18 -0.68 0
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65128 29204506 1 SN3O5C21H33 AB3C5D21E33 -230.54 5.76 -9.37 -0.63 0
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65129 29204507 1 SN2O4C19H24 AB2C4D19E24 -131.99 8.52 -8.96 -0.72 0
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65130 29204508 1 S2N4O5C22H26 A2B4C5D22E26 -133.32 10.44 -8.98 -1.5 0
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65131 29204509 1 FSO3N4C22H25 ABC3D4E22F25 -100.41 6.53 -9.13 -0.98 0
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65132 29204510 1 S2N3O4C22H25 A2B3C4D22E25 -91.32 7.44 -9.12 -0.66 0
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65133 29204511 1 SN4O5C24H28 AB4C5D24E28 -123.58 5.36 -8.6 -0.52 0
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65134 29204512 1 S2N3O5C18H23 A2B3C5D18E23 -152.96 4.08 -9.44 -1.28 0
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65135 29204513 1 SN3O5C20H23 AB3C5D20E23 -162.5 5.1 -9.24 -0.76 0
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65136 29204515 1 FN2S2O3C19H19 AB2C2D3E19F19 -110.35 4.74 -9.28 -1.4 0
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65137 29204516 1 SO3N4C21H24 AB3C4D21E24 -42.4 6.35 -9.27 -1.03 0
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65138 29204517 1 SN4O4C21H24 AB4C4D21E24 -78.41 2.49 -9.42 -1.14 0
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65139 29204521 1 SN3O5C25H25 AB3C5D25E25 -125.32 7.12 -8.38 -0.53 0
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65140 29204522 1 SN4O4C26H26 AB4C4D26E26 -61.61 8.78 -8.35 -0.67 0
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65141 29204523 1 ClSN4O4C23H27 ABC4D4E23F27 -104.47 9.98 -8.06 -0.67 0
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65142 29204524 1 S2N3O5C19H21 A2B3C5D19E21 -153.16 6.27 -8.68 -0.66 0
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65143 29204528 1 SN4O5C23H24 AB4C5D23E24 -137.04 5.48 -8.12 -0.76 0
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65144 29204529 1 SN4O4C25H26 AB4C4D25E26 -75.6 5.6 -8.24 -0.83 0
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65145 29204530 1 SN4O6C23H24 AB4C6D23E24 -97.79 3.71 -8.33 -1.12 0
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65146 29204531 1 ClSN4O4C23H27 ABC4D4E23F27 -106.8 9.67 -8.29 -0.57 0
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65147 29204532 1 S2N4O5H20C22 A2B4C5D20E22 -106.04 3.78 -8.43 -1.39 0
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65148 29204533 1 SN4O5H22C24 AB4C5D22E24 -106.7 6.91 -8.34 -1.47 0
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65149 29204535 1 SN3O6C25H25 AB3C6D25E25 -166.98 7.57 -8.04 -0.63 0
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65150 29204536 2 FNSO2H10C11 ABCD2E10F11 -180.72 5.01 -8.18 -1.16 0