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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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136512 52054099 1 F2O3N4H22C25 A2B3C4D22E25 -71.35 3.67 -8.65 -1.2 0
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136513 52054117 1 F2O3N5H21C22 A2B3C5D21E22 -106.14 3.72 -8.43 -1.15 0
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136514 52054329 1 FN4O4C29H31 AB4C4D29E31 -89.62 5.56 -8.74 -1.26 0
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136515 52054525 2 ON3C14H19 AB3C14D19 -32.71 8.76 -7.98 -0.1 0
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136516 52055226 2 ON2C12H15 AB2C12D15 12.2 3.51 -8.01 -0.24 0
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136517 52055671 1 ON6C24H34 AB6C24D34 21.17 2.77 -8.27 -0.49 0
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136518 52055747 1 O3N4C21H28 A3B4C21D28 -69.6 2.6 -8.4 -0.23 0
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136519 52055787 1 ClON4C24H31 ABC4D24E31 -10.18 5.93 -8.48 -0.63 0
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136520 52055788 1 ClON4C24H29 ABC4D24E29 6.1 6.56 -8.54 -0.7 0
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136521 52055789 1 ClON4C25H27 ABC4D25E27 25.82 8.82 -8.3 -0.4 0
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136522 52055923 1 FON5C23H24 ABC5D23E24 4.81 10.44 -8.26 -0.57 0
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136523 52056112 1 ClOF3N4H22C24 ABC3D4E22F24 -120.87 2.27 -8.8 -0.84 1
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136524 52056433 1 ON5C24H36 AB5C24D36 -5.76 3.32 0.0 0.0 0
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136525 52056434 1 ON5C24H35 AB5C24D35 -1.1 5.29 -8.24 -0.25 0
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136526 52056552 1 O2N4C25H28 A2B4C25D28 -0.88 5.86 -8.38 -0.42 0
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136527 52057085 1 ON4C27H32 AB4C27D32 16.46 5.03 -8.03 -0.29 0
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136528 52057298 1 O2N4C19H34 A2B4C19D34 -68.41 4.58 -9.16 -0.25 0
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136529 52057414 1 ClO2N5C23H32 AB2C5D23E32 -26.64 3.15 -8.4 -0.35 1
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136530 52057415 1 ClO2N5C24H35 AB2C5D24E35 -21.46 7.98 0.0 0.0 0
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136531 52057416 1 ClO2N5C24H34 AB2C5D24E34 -37.96 5.73 -8.94 -0.23 1
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136532 52057508 1 SO2N4C19H25 AB2C4D19E25 12.93 7.36 0.0 0.0 0
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136533 52057953 1 ClO2N5C26H30 AB2C5D26E30 13.33 4.3 -8.49 -0.48 0
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136534 52058021 1 O3N4C25H30 A3B4C25D30 -22.36 7.13 -8.79 -0.37 1
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136535 52058022 1 O3N4C26H33 A3B4C26D33 -17.53 9.83 0.0 0.0 0
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136536 52058323 1 FO2N7C23H26 AB2C7D23E26 6.3 4.94 -8.93 -0.77 1
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136537 52058324 1 FO4N5C24H33 AB4C5D24E33 -144.75 8.85 0.0 0.0 0
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136538 52058833 1 O4N5C28H31 A4B5C28D31 -64.43 3.27 -9.29 -0.6 1
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136539 52059192 1 FO2N4C21H28 AB2C4D21E28 -52.15 10.64 0.0 0.0 1
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136540 52059484 1 SO2N4C19H29 AB2C4D19E29 -14.95 7.19 0.0 0.0 0
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136541 52059485 1 SO2N4C19H28 AB2C4D19E28 -25.23 4.43 -8.98 -0.4 0
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136542 52059708 1 O2N5C22H33 A2B5C22D33 -25.77 8.75 -9.26 -0.85 1
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136543 52059709 1 O2N5C17H22 A2B5C17D22 37.95 10.62 0.0 0.0 0
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136544 52059710 1 O2N5C17H21 A2B5C17D21 26.04 7.9 -9.3 -0.91 2
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136545 52060051 1 SO2N5C25H33 AB2C5D25E33 41.55 20.7 -6.51 -1.52 0
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136546 52060052 1 SO2N5C25H31 AB2C5D25E31 23.67 3.13 -9.02 -0.87 1
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136547 52060053 1 SO2N4C19H29 AB2C4D19E29 -13.84 9.58 0.0 0.0 0
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136548 52060652 1 N4O5C24H26 A4B5C24D26 -79.32 7.63 -8.84 -0.73 1
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136549 52060653 1 N4O5C25H29 A4B5C25D29 -75.93 11.29 0.0 0.0 0
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136550 52060654 1 N4O5C25H28 A4B5C25D28 -84.29 4.5 -8.85 -0.73 1
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136551 52061127 1 ClFO2N4C23H25 ABC2D4E23F25 -29.14 6.67 0.0 0.0 0
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136552 52061458 1 ClN4O5H21C22 AB4C5D21E22 -111.82 7.15 -8.72 -1.19 0
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136553 52062109 1 ClO2N5C18H24 AB2C5D18E24 -23.49 3.79 -9.33 -1.22 1
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136554 52062182 1 N4O4C24H31 A4B4C24D31 -40.05 6.81 0.0 0.0 0
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136555 52062183 2 N2O2C12H15 A2B2C12D15 -57.68 3.45 -8.36 -0.64 1
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136556 52062278 1 OF2N4C19H19 AB2C4D19E19 -13.3 3.81 0.0 0.0 0
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136557 52062385 1 O3N4C17H24 A3B4C17D24 -42.69 4.5 -8.43 -0.78 0
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136558 52063329 1 O2N5C17H21 A2B5C17D21 24.49 4.01 -9.17 -1.16 0
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136559 52064196 1 O2N6C23H24 A2B6C23D24 63.09 3.97 -8.97 -0.6 0
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136560 52064388 1 O3N4C24H26 A3B4C24D26 1.19 3.92 -8.92 -0.82 0
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136561 52064424 1 O2N6C19H20 A2B6C19D20 50.79 5.24 -9.63 -1.32 0
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136562 52064893 1 SO3N4C17H18 AB3C4D17E18 4.45 3.18 -9.44 -1.15 1
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136563 52065005 1 SO2N6C19H23 AB2C6D19E23 78.11 7.1 0.0 0.0 0
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136564 52065006 1 SO2N6C19H22 AB2C6D19E22 64.52 4.15 -9.21 -0.87 1
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136565 52065007 1 SO2N4C23H27 AB2C4D23E27 43.37 11.31 0.0 0.0 0
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136566 52065093 2 FON2C11H11 ABC2D11E11 -76.03 1.52 -9.3 -0.96 0
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136567 52065097 1 FO3N4C23H25 AB3C4D23E25 -66.22 2.24 -9.25 -0.56 1
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136568 52065116 1 ClO3N4C23H26 AB3C4D23E26 -20.29 4.01 0.0 0.0 0
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136569 52065219 1 O2N4C23H26 A2B4C23D26 7.17 2.27 -9.22 -0.53 0
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136570 52065989 1 FO2N4C23H25 AB2C4D23E25 -36.26 5.67 -9.47 -0.84 1
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136571 52066541 1 ClO3N4C24H28 AB3C4D24E28 -24.15 11.75 0.0 0.0 0
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136572 52066656 1 ClO2N4C23H25 AB2C4D23E25 6.19 1.59 -9.51 -0.95 1
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136573 52066837 1 ClSO2N5H19C20 ABC2D5E19F20 67.75 8.34 0.0 0.0 0
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136574 52066838 1 ClSO2N5H18C20 ABC2D5E18F20 56.01 2.7 -9.57 -1.56 0
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136575 52066858 1 N4O5C25H30 A4B5C25D30 -99.25 1.63 -8.46 -0.61 0
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136576 52066907 1 N4O5C25H30 A4B5C25D30 -96.5 3.8 -8.47 -0.57 1
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136577 52067302 1 O2N5C21H26 A2B5C21D26 29.56 5.15 0.0 0.0 0
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136578 52067543 1 O2F3N5H20C23 A2B3C5D20E23 -97.09 7.6 -9.71 -1.16 1
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136579 52067544 1 O2F3N6C24H24 A2B3C6D24E24 -80.81 3.11 0.0 0.0 0
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136580 52067545 1 O2F3N6H23C24 A2B3C6D23E24 -99.26 5.16 -8.99 -1.06 0
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136581 52067742 1 O2F3N6C22H23 A2B3C6D22E23 -103.72 4.94 -9.43 -1.06 1
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136582 52067743 1 O2F3N4C26H28 A2B3C4D26E28 -126.1 12.57 0.0 0.0 0
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136583 52067744 1 O2F3N4C26H27 A2B3C4D26E27 -140.74 5.83 -9.22 -1.06 1
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136584 52068383 1 N3O4C25H32 A3B4C25D32 -54.81 2.94 0.0 0.0 1
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136585 52068478 1 N3O5C25H30 A3B5C25D30 -95.46 4.28 0.0 0.0 1
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136586 52068726 1 O2N3C23H28 A2B3C23D28 13.3 2.28 0.0 0.0 1
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136587 52068785 1 O2N3C20H30 A2B3C20D30 -17.35 11.62 0.0 0.0 1
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136588 52068983 1 O2N3C25H32 A2B3C25D32 -5.65 2.42 0.0 0.0 0
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136589 52069158 1 O2N3C25H31 A2B3C25D31 -26.12 2.49 -7.93 -0.35 0
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136590 52069270 1 OCl2N3C21H21 AB2C3D21E21 21.06 3.81 -8.36 -0.92 0
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136591 52070156 3 NOC8H9 ABC8D9 -47.91 5.03 -8.56 -0.27 0
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136592 52070261 1 N3O4C26H31 A3B4C26D31 -98.9 3.21 -8.67 -0.47 0
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136593 52070271 3 NOC8H9 ABC8D9 -53.74 4.04 -8.62 -0.42 0
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136594 52070656 1 N3O4C27H31 A3B4C27D31 -65.5 3.46 -8.35 -0.45 0
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136595 52071006 1 ClO2N4H21C23 AB2C4D21E23 21.58 7.05 -8.99 -0.96 1
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136596 52071601 1 N4O5C24H33 A4B5C24D33 -107.46 17.67 0.0 0.0 0
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136597 52071602 1 N4O5C24H32 A4B5C24D32 -151.85 6.57 -8.32 -0.43 0
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136598 52071618 1 N3O4C23H33 A3B4C23D33 -129.98 6.22 -8.36 -0.41 1
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136599 52071853 1 N4O5C30H37 A4B5C30D37 -94.17 7.42 0.0 0.0 0
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136600 52071854 1 N4O5C30H36 A4B5C30D36 -111.86 2.68 -8.64 -0.21 0
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136601 52071930 1 O3N4C26H38 A3B4C26D38 -90.39 7.06 -8.34 -0.53 1
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136602 52072015 1 O3N4C23H33 A3B4C23D33 -61.65 6.53 0.0 0.0 0
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136603 52072080 1 N4O5C27H32 A4B5C27D32 -123.14 0.83 -8.52 -0.46 0
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136604 52072522 1 SN3O4C24H33 AB3C4D24E33 -127.66 5.39 -8.35 -0.41 0
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136605 52072588 1 N3O3C24H35 A3B3C24D35 -113.74 5.49 -8.38 -0.21 1
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136606 52072789 1 ClN3O4C25H33 AB3C4D25E33 -142.57 6.13 0.0 0.0 0
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136607 52072956 1 BrN4O4C24H31 AB4C4D24E31 -124.12 4.2 -8.63 -0.66 0
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136608 52073324 1 N3O6C29H37 A3B6C29D37 -178.54 3.71 -8.28 -0.12 0
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136609 52073804 1 N3O5C22H31 A3B5C22D31 -155.25 6.42 -8.45 -0.4 0
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136610 52073914 1 N3O3C26H35 A3B3C26D35 -90.7 3.0 -8.61 -0.21 0
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136611 52073946 1 N3O5C29H37 A3B5C29D37 -146.87 6.41 -8.31 -0.32 0