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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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181540 76758959 2 N3O3C19H22 A3B3C19D22 -191.66 3.34 -8.63 -0.79 0
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181541 76759127 1 FO3N4H19C20 AB3C4D19E20 -84.12 2.96 -9.01 -1.01 0
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181542 76759757 2 O3C7H12 A3B7C12 -293.61 2.11 -10.62 -1.2 1
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181543 76760352 1 N3O4C45H60 A3B4C45D60 -146.18 3.1 0.0 0.0 1
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181544 76760353 1 N3O5H40C42 A3B5C40D42 -57.01 4.25 0.0 0.0 1
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181545 76760354 1 BrN3O4H45C50 AB3C4D45E50 8.39 3.05 0.0 0.0 0
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181546 76760526 1 SO3N5C23H29 AB3C5D23E29 -68.12 7.09 -8.64 -0.62 0
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181547 76760603 1 OF3N6C24H27 AB3C6D24E27 -137.39 5.04 -9.12 -0.93 0
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181548 76760604 1 NO3C20H25 AB3C20D25 -140.6 3.5 -9.64 0.06 0
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181549 76760605 1 ON6C25H32 AB6C25D32 15.26 5.74 -9.03 -0.52 0
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181550 76760606 1 ClO2N7C30H38 AB2C7D30E38 -40.49 2.45 -9.33 -0.74 0
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181551 76760607 1 ON5F6C24H27 AB5C6D24E27 -333.34 4.73 -9.28 -0.9 0
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181552 76760608 1 OSSiN7C37H57 ABCD7E37F57 -63.12 3.98 -8.78 -0.64 0
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181553 76760609 1 F3O3N6C36H47 A3B3C6D36E47 -273.14 5.46 -8.87 -0.81 0
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181554 76760610 3 ON2C9H12 AB2C9D12 -72.46 7.39 -8.96 -0.3 0
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181555 76760611 1 OSN7C31H43 ABC7D31E43 0.45 5.14 -8.8 -0.62 0
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181556 76760612 1 O2N6C31H40 A2B6C31D40 -37.76 5.4 -9.08 -0.4 0
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181557 76760613 1 ON6C24H30 AB6C24D30 16.86 5.62 -9.06 -0.44 0
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181558 76760614 1 ClON8C29H37 ABC8D29E37 5.55 3.53 -9.02 -0.49 0
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181559 76760615 1 O3N7C30H41 A3B7C30D41 -103.74 5.1 -9.11 -0.52 0
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181560 76760616 2 ON3C15H19 AB3C15D19 -48.28 9.02 -9.03 -0.38 0
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181561 76760786 1 ClON6C26H31 ABC6D26E31 27.54 5.86 -9.16 -0.52 0
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181562 76760791 1 ClFON5C24H31 ABCD5E24F31 -62.44 2.38 -8.82 -0.22 0
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181563 76761043 1 O2N7C35H43 A2B7C35D43 -29.66 5.83 -9.18 -0.57 0
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181564 76761044 2 O2N3C15H20 A2B3C15D20 -145.13 5.21 -9.2 -0.61 0
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181565 76761287 1 SO2N4C22H24 AB2C4D22E24 93.03 2.86 -8.62 -0.94 0
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181566 76761385 1 S2N7O49C103H131 A2B7C49D103E131 -1936.51 7.65 -9.1 -1.66 0
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181567 76761386 1 S2N7O49C103H131 A2B7C49D103E131 -1637.83 30.38 -7.6 -2.12 0
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181568 76761387 1 N3O5C26H29 A3B5C26D29 -98.42 7.55 -8.78 -1.73 0
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181569 76761647 1 Cl2N4O7C48H48 A2B4C7D48E48 -212.21 4.59 -8.69 -0.61 0
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181570 76761648 1 ClN3O6H48C50 AB3C6D48E50 -122.4 3.24 -8.57 -0.3 0
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181571 76761649 1 Cl2N4O7H40C47 A2B4C7D40E47 -151.67 9.53 -8.71 -1.15 0
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181572 76761650 4 NO2C12H13 AB2C12D13 -246.19 11.44 -8.39 -0.52 0
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181573 76761651 1 Cl2S2N5O8H49C51 A2B2C5D8E49F51 -193.03 3.02 -8.5 -0.9 0
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181574 76761733 1 Cl2N3O6H35C42 A2B3C6D35E42 -111.94 2.64 -8.12 -0.79 0
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181575 76762265 1 N3O3C23H31 A3B3C23D31 -114.28 4.84 -9.18 0.08 0
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181576 76762266 1 ClSN4O5C23H31 ABC4D5E23F31 -192.76 10.47 -9.45 -0.26 0
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181577 76762371 1 NO6C35H52 AB6C35D52 -205.84 8.3 0.0 0.0 0
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181578 76762453 1 NO3C20H27 AB3C20D27 -142.22 5.91 -8.41 -0.1 0
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181579 76762454 1 NO5C27H31 AB5C27D31 -99.87 7.71 -8.97 -1.16 -1
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181580 76762914 1 NO3C9H13 AB3C9D13 -35.5 13.83 -9.13 -3.34 -3
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181582 76762916 1 YC22H45 AB22C45 75.01 8.34 -3.91 -1.82 0
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181583 76763267 2 SN6O8C24H37 AB6C8D24E37 -720.15 6.15 -8.56 -0.79 1
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181584 76763410 1 ClBr2N2C48H54 AB2C2D48E54 48.1 7.51 0.0 0.0 0
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181585 76763411 1 ClSI2N2O3C35H39 ABC2D2E3F35G39 -5.24 17.19 -8.08 -2.22 0
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181586 76763675 1 Cl3N4O7C26H35 A3B4C7D26E35 -240.12 7.81 -9.54 -0.6 0
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181587 76764207 1 ClOC13H17 ABC13D17 -41.02 1.97 -9.63 0.16 0
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181588 76764218 1 ICl3O3H8C9 AB3C3D8E9 -100.14 1.1 -10.04 -1.98 0
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181589 76764219 1 N3O3H11C15 A3B3C11D15 9.47 5.29 -8.89 -1.64 0
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181590 76764220 1 ClOH7C9 ABC7D9 -21.38 4.5 -9.99 -0.88 0