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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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393558 135021035 1 N3O3H17C25 A3B3C17D25 52.35 4.46 -9.26 -1.49 0
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393559 135021036 1 FOC12H17 ABC12D17 -95.26 1.41 -9.32 0.42 0
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393560 135021037 1 NO2H19C27 AB2C19D27 107.15 6.37 -9.02 -1.33 0
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393561 135021038 1 S2N3O8H29C30 A2B3C8D29E30 -172.0 11.57 -8.66 -1.79 0
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393562 135021039 1 S2N3O3H13C17 A2B3C3D13E17 26.78 3.2 -8.86 -1.05 1
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393563 135021040 1 S2N3O3H14C17 A2B3C3D14E17 24.35 4.12 0.0 0.0 0
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393564 135021041 1 O2N4H18C21 A2B4C18D21 51.38 0.82 -9.23 -0.85 1
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393565 135021042 1 O2N4H19C21 A2B4C19D21 47.57 3.26 0.0 0.0 0
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393566 135021043 1 O3C13H14 A3B13C14 -122.0 2.55 -9.77 -0.64 0
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393567 135021044 1 O2H18C21 A2B18C21 13.94 3.98 -9.33 -0.38 0
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393568 135021047 1 N3O10C16H23 A3B10C16D23 -371.71 4.12 -9.99 -0.22 0
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393569 135021054 1 SiO5C23H46 AB5C23D46 -267.92 2.48 -8.81 1.06 0
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393570 135021055 1 SiO5C23H46 AB5C23D46 -289.33 2.81 -8.97 0.91 0
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393571 135021056 1 SiO5C23H46 AB5C23D46 -273.88 1.42 -8.78 1.1 0
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393572 135021057 1 NSC16H19 ABC16D19 99.15 2.22 -8.28 -0.41 0
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393573 135021058 2 NO2C7H9 AB2C7D9 -151.38 2.75 -8.45 0.02 0
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393574 135021059 1 NSO2C25H27 ABC2D25E27 6.49 4.68 -8.7 -0.4 0
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393575 135021060 1 NSO2C31H35 ABC2D31E35 17.2 5.54 -8.97 -0.33 0
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393576 135021061 1 NSO4C24H25 ABC4D24E25 -84.24 7.94 -9.36 -0.44 0
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393577 135021077 1 NO2C15H21 AB2C15D21 -50.52 1.93 -8.95 0.04 0
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393578 135021078 1 NO3C7H9 AB3C7D9 -102.42 5.01 -10.28 0.41 0
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393579 135021089 1 ON2H22C23 AB2C22D23 66.22 2.19 -8.78 -0.57 0
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393580 135021139 1 O2C13H14 A2B13C14 -66.44 1.21 -9.01 -0.01 -8
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393581 135021140 1 NSRh2O4C23H47 ABC2D4E23F47 -299.37 43.34 -9.95 -2.67 -8
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393582 135021141 1 NRh2O4C22H41 AB2C4D22E41 -187.7 17.7 -9.22 -4.06 0
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393583 135021143 1 N3O3H19C30 A3B3C19D30 85.76 4.11 -9.34 -1.52 1
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393584 135021144 1 NO4C20H26 AB4C20D26 -121.24 2.97 0.0 0.0 0
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393585 135021145 1 SiO3C22H30 AB3C22D30 -123.96 1.84 -8.94 0.16 0
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393586 135021146 1 NOC16H19 ABC16D19 -14.78 3.5 -8.11 -0.29 0
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393587 135021148 1 NSO6C27H31 ABC6D27E31 -194.28 3.4 -8.82 -0.36 0
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393588 135021149 1 BrNO3C17H24 ABC3D17E24 -114.9 4.82 -10.46 -0.29 0
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393589 135021159 1 O13C19H26 A13B19C26 -599.03 1.92 -10.7 0.4 0
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393590 135021160 1 O7C27H34 A7B27C34 -260.58 3.34 -9.3 0.0 0
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393591 135021162 1 ClON2C21H21 ABC2D21E21 44.29 3.0 -9.02 -0.24 0
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393592 135021165 1 O3C18H20 A3B18C20 -120.72 2.97 -9.6 -0.61 0
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393593 135021172 1 NSO4C16H23 ABC4D16E23 -149.59 4.66 -8.2 -0.48 0
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393594 135021174 1 SN3O3C25H27 AB3C3D25E27 -56.39 8.61 -8.6 -0.71 0
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393595 135021176 1 N5H11C14 A5B11C14 151.35 3.04 -9.12 -0.8 0
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393596 135021177 1 NO2C16H23 AB2C16D23 -89.76 4.15 -8.38 0.32 0
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393597 135021178 1 ClNO3H18C23 ABC3D18E23 -46.68 5.07 -9.22 -1.13 0
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393598 135021179 1 F3N4O4C25H29 A3B4C4D25E29 -293.28 3.53 -9.21 -1.23 0
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393599 135021180 1 SN3O3H15C16 AB3C3D15E16 -32.69 8.39 -10.47 -0.94 0
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393601 135021182 1 SN2O2C14H14 AB2C2D14E14 -1.34 8.38 -9.87 -0.78 0
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393602 135021183 1 SO2N3H19C21 AB2C3D19E21 34.74 10.2 -9.82 -0.69 0
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393603 135021184 1 SO2N3H19C21 AB2C3D19E21 33.39 8.41 -9.9 -0.7 0
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393604 135021186 1 SO2N3C16H17 AB2C3D16E17 5.79 7.2 -9.61 -0.71 0
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393605 135021187 1 SN3O3H13C15 AB3C3D13E15 -33.04 6.73 -10.42 -0.98 0
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393606 135021188 1 O3C13H16 A3B13C16 -122.12 3.39 -9.06 -0.48 0
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393607 135021189 1 OSi2C23H46 AB2C23D46 -147.32 2.57 -8.99 0.59 0
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393608 135021191 1 O3C13H16 A3B13C16 -116.42 3.51 -9.05 -0.64 0
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393609 135021192 1 NSeC18H23 ABC18D23 33.6 2.57 -8.41 -0.16 0
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393610 135021201 1 Si2O4C31H50 A2B4C31D50 -298.58 6.65 -8.53 0.07 0
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393611 135021202 4 OC3H3 AB3C3 -144.96 2.53 -9.14 -0.15 0
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393612 135021203 2 O2C7H8 A2B7C8 -51.75 3.12 -8.6 0.22 0
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393613 135021204 2 NC7H7 AB7C7 62.15 2.43 -8.0 -0.1 0
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393614 135021205 8 C3H5 A3B5 -68.05 0.07 -9.75 3.86 0
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393615 135021206 1 FNC9H16 ABC9D16 -51.42 1.13 -9.16 1.01 1
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393616 135021224 1 SN2O4H11C14 AB2C4D11E14 30.39 1.7 0.0 0.0 0
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393617 135021241 1 FSN2O4H21C24 ABC2D4E21F24 -143.99 7.38 -9.87 -0.64 0
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393618 135021283 1 N5H19C23 A5B19C23 154.51 1.02 -8.78 -0.8 0
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393619 135021284 1 ClN5H16C22 AB5C16D22 155.23 2.62 -9.02 -1.08 0
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393620 135021293 1 ON2C14H16 AB2C14D16 -11.04 4.24 -8.82 -0.06 0
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393621 135021295 2 NO2C8H10 AB2C8D10 -130.57 6.11 -10.64 -0.48 0
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393622 135021296 1 SO2N3C16H17 AB2C3D16E17 -0.97 6.88 -9.88 -0.66 0
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393623 135021299 1 SSiO2N3H14C16 ABC2D3E14F16 118.16 10.35 0.0 0.0 0
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393624 135021306 1 OSi2C16H36 AB2C16D36 -146.55 2.8 -8.93 0.94 0
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393625 135021307 1 OSi2C12H26 AB2C12D26 -100.27 3.35 -8.95 0.79 0
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393626 135021308 1 ON2C15H21 AB2C15D21 -4.99 3.56 0.0 0.0 0
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393627 135021311 1 N5O6C27H37 A5B6C27D37 -130.16 8.63 -8.38 -0.95 0
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393628 135021314 1 N4O5C27H44 A4B5C27D44 -137.58 11.72 -7.84 -0.57 0
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393629 135021316 2 NO3C12H18 AB3C12D18 -166.73 8.78 -8.13 -0.78 0
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393630 135021317 1 N5O6C33H49 A5B6C33D49 -156.59 12.88 -7.66 -0.41 0
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393631 135021318 1 NO2H21C27 AB2C21D27 84.76 6.76 -9.0 -1.23 0
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393632 135021319 1 NSO2H17C21 ABC2D17E21 72.62 6.77 -9.23 -1.27 0
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393633 135021320 1 NO2C23H27 AB2C23D27 10.27 7.02 -9.01 -1.26 0
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393634 135021321 1 NO2C21H23 AB2C21D23 22.57 7.01 -9.03 -1.24 0
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393635 135021323 1 NO2H21C24 AB2C21D24 58.53 7.0 -9.1 -1.29 0
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393636 135021324 1 NO2H21C28 AB2C21D28 97.6 6.28 -9.12 -1.25 0
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393637 135021326 1 NO5C14H23 AB5C14D23 -259.2 2.74 -9.83 0.13 0
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393638 135021327 1 BrNSO3H16C19 ABCD3E16F19 -40.67 8.15 -9.11 -0.9 0
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393639 135021331 2 NO2C9H10 AB2C9D10 -152.33 3.35 -8.56 -0.04 0
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393640 135021332 1 SN2C13H22 AB2C13D22 -20.6 0.75 -8.82 0.11 0
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393641 135021335 1 ClSiO3C18H27 ABC3D18E27 -176.36 2.29 -9.32 -0.25 0
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393642 135021337 1 OC18H22 AB18C22 -45.23 2.7 -9.14 0.4 0
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393644 135021365 2 N2C17H22 A2B17C22 71.19 4.85 -8.08 -0.32 0
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393645 135021368 1 NCl2S2O4C27H29 AB2C2D4E27F29 -98.6 3.46 -8.17 -0.67 0
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393646 135021411 1 O3H12C13 A3B12C13 -96.01 6.25 -10.02 -0.9 0
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393647 135021423 1 ClISN2H12C14 ABCD2E12F14 61.25 2.54 -8.76 -1.17 0
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393648 135021424 1 NO4C24H31 AB4C24D31 -150.85 2.05 -8.52 0.13 0
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393649 135021425 1 NOC19H21 ABC19D21 19.85 1.73 -7.74 0.35 0
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393650 135021427 1 NO3C21H23 AB3C21D23 -48.84 2.18 -9.28 -0.09 0
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393651 135021429 2 ON2C15H15 AB2C15D15 57.98 1.59 -9.08 -0.93 0
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393652 135021430 1 ClO2N4H29C30 AB2C4D29E30 49.24 1.91 -9.07 -1.04 0
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393653 135021431 2 ON2C19H19 AB2C19D19 65.88 4.54 -8.69 -1.02 0
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393654 135021436 1 ClN2O8C22H23 AB2C8D22E23 -220.87 1.23 -9.05 -0.88 0
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393655 135021437 1 ClN2O7H19C21 AB2C7D19E21 -168.66 4.31 -9.32 -0.85 0
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393656 135021439 1 ClN2O9C21H23 AB2C9D21E23 -298.96 3.23 -9.21 -0.7 0
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393658 135021444 1 OC9H14 AB9C14 6.36 2.65 -9.3 1.28 0
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393659 135021446 12 C2H3 A2B3 117.89 0.13 -9.14 2.71 0
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393660 135021447 1 NSO2C27H29 ABC2D27E29 8.68 7.3 -8.86 -0.46 0