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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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234501 92298562 1 NOCl2H13C15 ABC2D13E15 -31.99 5.54 -9.31 -0.65 0
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234502 92298563 1 S2O3N4C23H28 A2B3C4D23E28 -75.87 10.09 -8.15 -1.61 0
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234503 92298567 1 N2S2O3C6H12 A2B2C3D6E12 -124.66 6.72 -9.44 -0.34 0
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234504 92298568 1 BrN2O2S2C6H11 AB2C2D2E6F11 -74.09 4.56 -9.89 -1.16 0
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234505 92298569 1 N2S2O3C6H12 A2B2C3D6E12 -122.15 6.45 -9.71 -0.6 0
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234508 92298572 1 ClN3O4H8C14 AB3C4D8E14 11.64 7.66 -9.88 -2.02 0
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234509 92298573 1 NSO6C13H15 ABC6D13E15 -195.52 6.34 -10.06 -1.47 0
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234510 92298580 1 NO2S2H7C12 AB2C2D7E12 18.64 6.12 -9.32 -1.97 0
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234511 92298581 1 NO8C19H19 AB8C19D19 -304.91 6.1 -9.57 -1.39 0
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234512 92298584 1 ON2Cl3H9C16 AB2C3D9E16 31.22 5.4 -9.65 -1.3 0
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234513 92298588 1 N3O3H13C14 A3B3C13D14 80.67 5.65 -9.48 -1.61 0
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234514 92298591 1 N2O3F4H10C18 A2B3C4D10E18 -185.95 4.12 -9.68 -1.14 0
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234515 92298594 1 ClSN3O4H12C20 ABC3D4E12F20 35.0 1.74 -9.25 -2.12 0
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234516 92298595 1 SN3O4H13C20 AB3C4D13E20 40.75 1.09 -9.21 -2.04 0
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234517 92298597 1 OI2N2H18C21 AB2C2D18E21 63.1 3.68 -8.64 -0.91 0
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234518 92298598 1 OI2N2H18C21 AB2C2D18E21 64.48 2.32 -8.63 -0.93 1
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234519 92298599 1 ClN2O3H16C26 AB2C3D16E26 0.61 2.1 0.0 0.0 0
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234520 92298600 1 SO2N3H13C18 AB2C3D13E18 46.79 6.24 -8.88 -1.02 0
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234521 92298604 1 N2O2H12C17 A2B2C12D17 101.67 4.74 -9.53 -1.58 0
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234522 92298605 1 ON2H10C16 AB2C10D16 90.57 4.91 -9.66 -1.13 0
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234523 92298606 2 OH11C15 AB11C15 55.99 1.68 -9.06 -1.03 0
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234524 92298608 1 ON4C23H24 AB4C23D24 95.5 4.59 -8.4 -0.47 0
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234525 92298610 1 FO2N4H31C34 AB2C4D31E34 -21.43 3.57 -9.06 -1.03 0
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234526 92298611 1 FO2N4H31C34 AB2C4D31E34 -20.08 4.85 -9.11 -1.2 0
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234527 92298615 1 O4N7C29H29 A4B7C29D29 8.9 7.52 -9.02 -0.89 0
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234528 92298618 2 BrNOH8C12 ABCD8E12 40.42 3.59 -9.9 -0.81 0
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234529 92298619 2 BrNOH8C12 ABCD8E12 13.5 4.08 -9.97 -0.86 0
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234530 92298620 2 BrNOH8C12 ABCD8E12 40.29 3.48 -9.89 -0.8 0
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234531 92298621 1 ClO3N4H27C31 AB3C4D27E31 69.64 6.99 -9.02 -1.7 2
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234532 92298622 2 BrNO2H6C14 ABC2D6E14 -22.11 1.0 -8.21 -2.25 0
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234533 92298623 1 N2O4C21H24 A2B4C21D24 -125.12 3.75 -9.5 -0.61 0
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234534 92298625 4 NOC6H7 ABC6D7 -98.38 6.21 -8.99 -0.71 0
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234535 92298627 1 SN4O6C28H30 AB4C6D28E30 -164.06 3.43 -8.76 -0.84 0
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234536 92298628 1 SN4O6C28H30 AB4C6D28E30 -164.93 9.16 -8.22 -1.26 0
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234537 92298630 1 O4N7C34H35 A4B7C34D35 -6.52 5.82 -8.54 -0.82 0
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234538 92298634 1 N2O2C21H24 A2B2C21D24 -36.65 4.49 -8.94 -0.28 0
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234539 92298641 1 ION2H23C29 ABC2D23E29 88.56 4.84 -7.9 -1.3 0
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234540 92298642 1 ION2H23C29 ABC2D23E29 80.31 5.64 -7.93 -1.32 0
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234541 92298645 1 OI2N2H20C25 AB2C2D20E25 80.12 4.46 -8.49 -0.84 0
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234542 92298646 1 N2O3C16H22 A2B3C16D22 -136.86 7.39 -9.81 -0.06 0
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234543 92298653 1 OI2N4H16C21 AB2C4D16E21 120.37 5.2 -8.65 -0.91 0
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234544 92298656 1 ClO2N4H17C19 AB2C4D17E19 24.54 6.86 -8.9 -0.94 0
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234545 92298660 1 N3O4H17C19 A3B4C17D19 -62.34 5.85 -8.89 -0.42 0
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234546 92298661 1 N3O4H17C19 A3B4C17D19 -67.02 4.35 -8.82 -0.3 0
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234547 92298662 1 O4H20C23 A4B20C23 -100.96 6.92 -9.28 -1.01 0
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234548 92298664 1 ClN2O2C15H15 AB2C2D15E15 -45.16 6.56 -8.56 -0.9 0
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234550 92298671 1 N2F3O3H19C22 A2B3C3D19E22 -187.88 7.68 -9.82 -0.62 0
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234551 92298676 1 O3N6C12H14 A3B6C12D14 26.68 3.35 -9.43 -1.73 0
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234552 92298677 1 O3N4H12C18 A3B4C12D18 61.46 8.87 -9.07 -1.5 0
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234553 92298678 1 ClON3H16C19 ABC3D16E19 74.2 6.46 -8.56 -0.91 0
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234554 92298679 1 O8H18C19 A8B18C19 -288.52 4.33 -9.03 -1.01 0
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234555 92298682 1 SO3N4H16C18 AB3C4D16E18 -32.42 8.22 -9.07 -1.24 0
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234556 92298683 1 O3N6C21H22 A3B6C21D22 31.52 6.9 -8.69 -1.44 0
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234557 92298685 1 ClON6H17C19 ABC6D17E19 105.08 6.12 -8.77 -1.7 0
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234558 92298687 1 ClON6H17C19 ABC6D17E19 105.87 6.17 -8.7 -1.51 0
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234559 92298692 1 NOH17C18 ABC17D18 24.7 3.54 -8.48 -0.5 0
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234560 92298696 1 ClSN3H12C16 ABC3D12E16 97.31 2.18 -8.94 -1.11 0
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234561 92298697 1 S2N3O3C19H23 A2B3C3D19E23 -95.21 8.01 -8.22 -1.07 0
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234562 92298699 1 ON2S3C15H18 AB2C3D15E18 0.09 1.47 -8.97 -0.95 0
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234563 92298700 1 ON2S3C15H18 AB2C3D15E18 1.95 1.88 -8.78 -0.91 0
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234564 92298701 1 N2O5C22H24 A2B5C22D24 -139.45 5.94 -8.41 -0.57 0
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234565 92298702 1 N2S2O3C19H20 A2B2C3D19E20 -57.3 3.35 -8.83 -0.93 0
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234566 92298705 1 N2O5C22H24 A2B5C22D24 -143.13 9.43 -8.65 -0.68 0
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234567 92298706 1 N2S2O3C19H20 A2B2C3D19E20 -57.52 2.7 -8.86 -0.95 0
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234568 92298709 1 ClN3C12H14 AB3C12D14 42.7 1.67 -8.9 -0.34 0
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234569 92298713 1 ClN2O2F3C16H16 AB2C2D3E16F16 -220.1 9.03 -9.02 -0.93 0
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234570 92298714 1 NO2C20H23 AB2C20D23 -60.88 5.3 -8.7 0.14 0
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234571 92298716 1 NO6H17C20 AB6C17D20 -152.01 6.74 -9.38 -1.58 0
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234572 92298717 1 NOC16H23 ABC16D23 -59.98 4.54 -9.05 0.32 0
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234573 92298719 1 NOC16H23 ABC16D23 -59.03 4.31 -9.03 0.33 0
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234574 92298720 1 N2S2O3H16C18 A2B2C3D16E18 -63.75 7.71 -8.75 -1.92 0
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234575 92298722 1 N2O2F3C17H19 A2B2C3D17E19 -215.83 9.83 -9.16 -0.74 0
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234576 92298723 2 NO2H8C10 AB2C8D10 -30.61 4.96 -8.77 -1.55 0
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234577 92303098 1 BrNSO3H8C10 ABCD3E8F10 -73.88 2.48 -9.23 -1.65 0
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234578 92303101 1 NSCl2O3H11C16 ABC2D3E11F16 -75.43 2.47 -9.1 -1.64 0