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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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214420 84982011 1 O2F3N3C21H26 A2B3C3D21E26 -132.36 3.95 -6.02 -0.73 1
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214421 84982014 1 S2N6C20H21 A2B6C20D21 152.53 5.88 0.0 0.0 0
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214422 84982015 2 SN3C10H10 AB3C10D10 153.79 2.28 -8.6 -0.7 1
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214423 84982016 1 SO2N3H20C21 AB2C3D20E21 29.69 10.54 0.0 0.0 1
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214424 84982018 1 SO2N3H20C21 AB2C3D20E21 5.32 4.25 0.0 0.0 1
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214425 84982019 1 S2N4C17H21 A2B4C17D21 89.46 4.36 0.0 0.0 0
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214426 84982022 1 O3N4C23H32 A3B4C23D32 -125.59 4.98 -8.77 0.08 0
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214427 84982045 1 N2O3C24H24 A2B3C24D24 -53.17 2.14 -9.2 -1.48 0
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214428 84982048 1 S3N5C19H19 A3B5C19D19 137.25 8.31 -8.33 -1.48 0
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214429 84982053 1 OCl2N2C17H18 AB2C2D17E18 -25.96 5.35 -9.07 -0.37 1
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214430 84982057 1 ClON3C17H17 ABC3D17E17 43.24 3.85 0.0 0.0 1
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214431 84982062 1 BrClON2C16H17 ABCD2E16F17 11.28 4.6 0.0 0.0 1
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214432 84982094 1 S3N4C16H19 A3B4C16D19 98.5 3.36 0.0 0.0 0
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214433 84982102 1 BrClFON2H15C16 ABCDE2F15G16 -54.0 2.9 -9.09 -0.59 0
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214434 84982108 1 FOCl2N2H15C16 ABC2D2E15F16 -67.0 2.73 -9.04 -0.54 0
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214435 84982112 1 ClOF2N2H15C16 ABC2D2E15F16 -97.63 3.77 -9.4 -0.48 0
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214436 84982116 1 N3O4C20H23 A3B4C20D23 -77.38 1.81 -8.4 -0.91 1
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214437 84982117 1 S3N5C18H22 A3B5C18D22 130.39 4.84 0.0 0.0 0
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214438 84982119 1 ClSN2O5C18H21 ABC2D5E18F21 -163.54 8.46 -9.24 -1.34 1
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214439 84982126 1 ClON3C17H17 ABC3D17E17 40.8 5.94 0.0 0.0 1
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214440 84982139 1 SO2N3C23H24 AB2C3D23E24 19.38 11.57 0.0 0.0 0
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214441 84982141 1 N3O5C22H23 A3B5C22D23 -143.11 1.71 -9.13 -1.39 0
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214442 84986991 1 SO2N4H16C20 AB2C4D16E20 46.72 2.78 -9.11 -0.78 0
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214443 85083042 2 O2C18H19 A2B18C19 -87.7 2.91 -8.28 -0.07 0
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214444 85083046 1 SO4N6C26H42 AB4C6D26E42 -192.48 5.25 -9.12 -0.29 0
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214445 85083047 1 SiN4O6C26H42 AB4C6D26E42 -275.92 6.2 -8.61 -0.56 0
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214446 85083048 1 SO4C33H42 AB4C33D42 -135.78 5.95 -9.13 -0.87 0
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214447 85083050 2 C20H27 A20B27 47.46 1.75 -7.84 -0.15 0
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214448 85083051 1 ClO2N6C29H35 AB2C6D29E35 -28.36 2.94 -8.7 -0.83 0
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214449 85083053 1 BClP3N5C11O11H16 ABC3D5E11F11G16 -457.02 13.75 -9.02 -1.14 0
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214451 85083057 1 NSO10C25H29 ABC10D25E29 -287.03 6.98 -9.77 -1.13 0
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214452 85083058 1 NO8C30H33 AB8C30D33 -263.67 4.6 -8.33 0.02 0
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214453 85083062 1 S2N3O3C29H33 A2B3C3D29E33 -7.83 7.66 -8.53 -0.9 0
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214454 85083064 1 ISN2O5C20H29 ABC2D5E20F29 -167.58 13.66 -8.24 -0.71 0
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214455 85083067 1 N2O3F6C26H34 A2B3C6D26E34 -470.93 2.47 -8.77 -1.45 0
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214456 85083068 1 O7H28C33 A7B28C33 -161.53 7.38 -9.26 -1.02 0
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214457 85083069 1 N4O7C28H32 A4B7C28D32 -225.09 11.22 -8.71 -1.55 0
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214458 85083073 2 NSO3C13H18 ABC3D13E18 -232.01 6.41 -8.96 -0.72 0
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214459 85083074 1 O7C31H52 A7B31C52 -421.1 3.92 -10.13 0.24 0
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214460 85083076 1 PN5O10C21H24 AB5C10D21E24 -320.94 3.24 -9.49 -1.07 0
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214461 85083077 1 N5O13C19H31 A5B13C19D31 -594.86 6.5 -10.07 -0.43 0
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214462 85083078 1 SN3O7C27H27 AB3C7D27E27 -191.82 1.87 -8.53 -0.6 0
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214463 85083083 1 S2O6N7C21H27 A2B6C7D21E27 -94.18 14.46 -8.77 -0.82 0
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214464 85083085 1 NS4O11C16H27 AB4C11D16E27 -476.88 4.04 -9.39 -0.14 0
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214465 85083086 1 SN3O7C26H39 AB3C7D26E39 -292.88 1.15 -9.58 -1.12 0
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214466 85083088 1 F3N6O6C23H25 A3B6C6D23E25 -211.8 7.12 -9.36 -1.46 0
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214467 85083089 2 O6C13H17 A6B13C17 -502.55 8.31 -9.82 -0.51 0
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214468 85083090 1 N2O9C28H30 A2B9C28D30 -345.95 1.99 -10.2 -2.03 0
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214469 85083092 1 N4O7C28H34 A4B7C28D34 -266.16 5.5 -9.44 -0.28 0
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214470 85083093 1 O7N8C23H38 A7B8C23D38 -323.21 10.63 -9.51 -0.01 0
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214471 85083097 1 N2O6C31H42 A2B6C31D42 -211.16 3.68 -9.42 0.03 0
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214472 85083099 1 ClSiO10C23H39 ABC10D23E39 -528.5 5.05 -8.8 0.0 0
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214473 85083100 1 ClO3N4C30H39 AB3C4D30E39 -141.33 5.07 -9.06 -0.31 0
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214474 85083101 1 I2O2N3C16H19 A2B2C3D16E19 49.33 23.4 -6.68 -2.82 2
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214475 85083102 1 O2N3C16H19 A2B3C16D19 80.86 2.73 -4.91 -2.37 0
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214476 85083103 1 BF3N3O6C25H33 AB3C3D6E25F33 -494.65 11.54 -9.21 -1.15 0
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214477 85083105 1 SCl2N4O4C24H28 AB2C4D4E24F28 -135.75 7.98 -9.36 -0.23 0
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214478 85083106 1 FN3O4H30C32 AB3C4D30E32 -77.15 3.65 -8.15 -1.91 0
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214479 85083107 1 N3O7C29H37 A3B7C29D37 -228.26 3.55 -9.47 -0.76 0
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214480 85083108 1 N3O7C29H37 A3B7C29D37 -270.19 7.64 -9.15 -1.11 0
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214481 85083109 1 ON7C33H33 AB7C33D33 148.96 7.06 -8.31 -1.0 0
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214482 85083110 1 SO2N7C29H33 AB2C7D29E33 74.21 9.41 -8.78 -0.84 0
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214483 85083111 1 N7C34H37 A7B34C37 174.32 6.68 -8.56 -0.4 0
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214484 85083112 1 N3O3C33H53 A3B3C33D53 -177.01 4.58 -8.74 -0.11 0
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214485 85083113 1 ClPN3O5C27H27 ABC3D5E27F27 -161.91 2.2 -9.03 -1.29 0
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214486 85083114 1 NCl2O7C26H31 AB2C7D26E31 -305.56 3.92 -8.78 -0.7 0
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214487 85083115 2 O4C16H17 A4B16C17 -266.35 5.43 -9.03 -1.18 0
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214488 85083116 1 O7H32C33 A7B32C33 -225.86 12.02 -8.92 -1.35 0
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214489 85083117 1 FSN2O6C27H41 ABC2D6E27F41 -288.22 7.69 -8.83 -0.51 0
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214490 85083118 1 Si2O5C30H44 A2B5C30D44 -232.58 1.19 -8.63 -0.17 0
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214491 85083119 1 IN5O6C19H20 AB5C6D19E20 -142.97 4.96 -9.29 -1.08 0
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214492 85083120 1 BrSO3H21C30 ABC3D21E30 -3.79 3.09 -8.58 -1.02 0
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214493 85083121 1 SN3O8C26H27 AB3C8D26E27 -222.19 2.02 -8.88 -1.03 0
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214494 85083122 1 FNSO7C27H40 ABCD7E27F40 -338.17 4.08 -9.32 -1.03 0
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214495 85083123 1 SN3O3C31H47 AB3C3D31E47 -154.28 7.95 -9.03 0.43 0