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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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168562 74989457 1 BrON3C13H14 ABC3D13E14 17.32 6.63 -9.51 -0.22 1
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168563 74989510 1 OCl2N2C20H27 AB2C2D20E27 -31.02 4.92 0.0 0.0 -4
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168564 74989511 1 PN8O14C30H37 AB8C14D30E37 -418.95 13.99 -9.42 -1.88 0
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168565 74989512 1 PN8O14C30H41 AB8C14D30E41 -622.35 7.05 -8.7 -1.39 0
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168566 74989513 1 ClS3O6N8C16H17 AB3C6D8E16F17 -114.61 7.74 -9.25 -1.36 0
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168567 74989514 1 S3O5N9H15C16 A3B5C9D15E16 -38.48 2.34 -8.98 -1.0 1
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168568 74989515 1 OCl2N3C22H26 AB2C3D22E26 13.14 7.0 0.0 0.0 0
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168569 74989516 1 PN3O11C23H34 AB3C11D23E34 -499.13 6.35 -8.98 -0.59 0
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168570 74989517 1 ClO2N3H12C16 AB2C3D12E16 38.21 5.39 -9.07 -0.77 0
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168571 74989518 1 Cl4O4N5C38H49 A4B4C5D38E49 -141.72 9.84 -8.48 -0.97 0
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168572 74989519 1 O9C25H28 A9B25C28 -316.44 0.93 -8.65 -0.31 0
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168573 74989520 1 FO8C24H27 AB8C24D27 -317.75 4.72 -8.81 -0.41 0
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168574 74989521 1 N3O3H15C17 A3B3C15D17 5.59 6.76 -8.94 -0.68 0
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168575 74989522 1 O2N3H15C17 A2B3C15D17 33.39 3.61 -8.84 -0.99 0
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168576 74989523 1 O9C25H30 A9B25C30 -311.04 4.27 -8.85 -0.31 0
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168577 74989600 1 N3O5C24H35 A3B5C24D35 -240.48 3.26 -9.39 -0.5 0
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168578 74989771 1 NS2O5H21C22 AB2C5D21E22 -142.8 1.86 -9.18 -1.82 0
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168579 74989772 1 O10N22C69H86 A10B22C69D86 -257.59 10.12 -8.69 -0.28 0
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168580 74989812 1 O22N23C95H133 A22B23C95D133 -907.4 17.92 -8.56 -0.26 0
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168581 74990185 1 NNaSO8H14C16 ABCD8E14F16 -335.89 12.81 -8.86 -0.98 0
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168582 74990186 1 NSO8H15C16 ABC8D15E16 -272.73 5.21 -9.35 -1.07 0
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168583 74990684 1 N4O4C23H30 A4B4C23D30 -116.77 7.11 -9.31 -0.34 0
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168584 74990967 1 N4O5C14H20 A4B5C14D20 -146.88 3.46 -10.04 -1.13 0
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168585 74990968 1 S2O4N5H17C18 A2B4C5D17E18 -42.59 1.53 -9.23 -1.4 0
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168586 74990974 1 S2N9O9C45H57 A2B9C9D45E57 -276.73 13.43 -8.63 -2.03 0
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168587 74991008 1 O3N4C34H42 A3B4C34D42 -91.48 3.74 -9.18 -0.31 0
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168588 74991644 1 O5N6C33H48 A5B6C33D48 -221.65 10.52 -8.99 -0.8 0
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168589 74991766 1 SN5O5C30H43 AB5C5D30E43 -210.87 3.52 -8.46 0.02 0
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168590 74991767 1 N5O5C31H45 A5B5C31D45 -228.67 3.9 -8.6 -0.13 0
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168591 74991768 1 O5N7C32H45 A5B7C32D45 -205.68 2.64 -8.57 -0.09 0
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168592 74991769 1 NSCl2O8H25C27 ABC2D8E25F27 -249.29 8.54 -8.71 -1.52 0
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168593 74991812 1 N11O17C50H89 A11B17C50D89 -814.99 11.94 -9.57 -0.6 0
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168594 74992138 1 O9N13C53H69 A9B13C53D69 -349.64 12.67 -8.8 -0.39 0
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168595 74992139 1 SN7O9H35C38 AB7C9D35E38 -234.06 4.09 -9.34 -0.89 0
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168596 74992140 1 PN5O8C21H30 AB5C8D21E30 -360.48 8.28 -9.58 -0.39 0
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168597 74992528 1 N6O6C27H44 A6B6C27D44 -299.38 2.37 -9.44 0.04 0
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168598 74992714 1 NO13C40H53 AB13C40D53 -486.37 14.05 -9.66 -0.57 0
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168599 74992956 1 N3O6C27H37 A3B6C27D37 -224.43 1.34 -8.62 -0.12 0
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168600 74993381 1 SN3O3C28H33 AB3C3D28E33 -68.18 8.14 -9.24 -0.9 0
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168601 74993382 1 SN3O3C30H33 AB3C3D30E33 -54.42 6.88 -8.83 -1.48 0
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168602 74993383 1 O14C37H50 A14B37C50 -521.59 5.32 -9.36 -2.61 0
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168603 74994139 1 SN24O34C89H144 AB24C34D89E144 -1642.39 9.52 -8.91 -0.24 0
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168604 74994140 1 O2N3C6H11 A2B3C6D11 -97.88 4.94 -10.39 -0.01 0
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168605 74994237 1 S2O18N32C87H134 A2B18C32D87E134 -586.11 9.39 -8.77 -0.88 0
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168606 74994238 1 ClN2O2H17C18 AB2C2D17E18 -2.75 8.63 -9.16 -1.64 0
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168607 74994239 1 S2N5O7C33H51 A2B5C7D33E51 -300.88 6.1 -8.65 -0.34 0
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168608 74994240 1 N3O11C52H67 A3B11C52D67 -310.35 9.21 -8.28 -1.19 0
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168609 74994241 1 N3O11C50H73 A3B11C50D73 -416.82 5.34 -8.96 -1.2 0
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168610 74994242 1 N13O21C55H71 A13B21C55D71 -792.66 12.48 -9.34 -1.37 0
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168611 74994464 1 N3O27C82H89 A3B27C82D89 -999.65 9.2 -8.65 -1.7 1