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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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399552 135040899 1 NSO4C14H15 ABC4D14E15 -119.33 2.9 -8.74 -0.36 1
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399553 135040911 1 NO2C13H14 AB2C13D14 -22.98 5.97 0.0 0.0 0
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399554 135040917 2 FOC5H5 ABC5D5 -138.07 2.86 -10.1 -0.71 0
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399555 135040922 1 NSiO3C13H25 ABC3D13E25 -182.73 3.0 -9.38 0.29 0
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399556 135040924 1 SO2N3C13H19 AB2C3D13E19 -58.63 5.78 -8.12 -0.41 0
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399557 135040926 1 O3C15H20 A3B15C20 -120.59 4.26 -9.87 -1.0 1
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399558 135040927 1 O2N5C8H12 A2B5C8D12 -41.61 1.53 0.0 0.0 0
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399559 135040928 1 O2N5C8H11 A2B5C8D11 -46.29 2.09 -9.28 -0.59 0
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399560 135040929 7 CHN ABC 146.11 9.51 -9.25 -1.45 0
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399561 135040931 4 OC3H5 AB3C5 -167.52 2.17 -10.24 -0.08 0
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399562 135040932 1 NO2C16H23 AB2C16D23 -77.81 3.27 -8.2 -0.17 0
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399563 135040933 1 NC17H21 AB17C21 19.35 1.85 -7.99 0.34 0
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399564 135040934 2 FOC5H5 ABC5D5 -148.84 0.83 -9.36 -0.51 0
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399565 135040936 1 NO4C12H21 AB4C12D21 -190.78 3.58 -10.15 0.38 0
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399566 135040939 1 SH14C16 AB14C16 49.84 1.49 -8.65 -0.42 0
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399567 135040940 1 O4C11H22 A4B11C22 -224.79 1.93 -10.16 0.7 0
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399568 135040941 1 O5C24H38 A5B24C38 -188.49 1.56 -9.3 0.21 0
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399569 135040961 1 NOC12H17 ABC12D17 25.64 5.32 -8.98 0.04 0
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399570 135040971 1 N5C11H13 A5B11C13 110.31 4.28 -8.48 -0.13 0
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399571 135040976 1 ON2H10C15 AB2C10D15 66.79 5.39 -10.19 -1.06 0
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399572 135040992 1 NOC14H19 ABC14D19 -27.58 3.34 -9.53 0.19 1
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399573 135040994 1 NO2C5H10 AB2C5D10 -71.41 2.17 0.0 0.0 0
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399574 135040996 1 BrOH15C16 ABC15D16 -2.68 3.03 -9.56 -0.51 0
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399575 135041017 1 O3C13H16 A3B13C16 -119.85 4.65 -9.75 -0.91 0
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399576 135041018 1 SiC14H24 AB14C24 -40.69 0.59 -9.21 0.33 0
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399577 135041033 1 BrOC15H17 ABC15D17 15.72 3.01 -9.0 -0.1 0
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399578 135041035 2 OC8H12 AB8C12 -91.04 5.6 -9.65 0.19 0
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399579 135041056 1 OC15H18 AB15C18 26.22 1.66 -9.09 -0.04 0
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399580 135041080 1 NOC16H23 ABC16D23 -40.63 4.94 -9.25 0.28 0
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399581 135041082 1 OC12H20 AB12C20 -24.05 1.88 -9.08 1.1 0
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399582 135041083 1 O3H16C17 A3B16C17 -53.06 2.12 -9.27 -0.59 0
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399583 135041084 1 BrON3H12C14 ABC3D12E14 57.88 4.69 -9.4 -0.72 0
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399584 135041085 1 ClO3C11H13 AB3C11D13 -124.49 3.89 -9.76 -1.33 0
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399585 135041087 1 BrOC14H17 ABC14D17 -11.26 0.76 -9.53 -0.13 0
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399586 135041088 1 ON2C14H16 AB2C14D16 -2.83 5.31 -8.18 -0.74 0
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399587 135041089 3 NH3C4 AB3C4 128.02 2.93 -9.25 -0.88 -1
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399588 135041090 1 NO4C9H16 AB4C9D16 -174.18 3.78 0.0 0.0 0
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399589 135041092 1 NO2C11H15 AB2C11D15 -85.17 4.12 -10.92 0.69 0
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399590 135041094 1 N3C15H19 A3B15C19 101.7 3.38 -9.26 -0.2 0
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399591 135041095 1 BrO2N3C12H12 AB2C3D12E12 25.47 2.39 -9.7 -0.76 0
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399592 135041128 1 NOC14H19 ABC14D19 -19.13 4.01 -9.3 0.08 0
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399593 135041142 1 ClNOH14C16 ABCD14E16 4.44 4.32 -8.4 -0.41 0
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399594 135041173 2 NC8H10 AB8C10 49.33 1.64 -8.35 0.31 0
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399595 135041181 1 NO2H11C15 AB2C11D15 -31.16 7.66 -8.82 -0.8 0
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399596 135041183 1 SiC13H16 AB13C16 68.6 2.01 -7.31 -1.16 0
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399597 135041190 1 NO3H11C13 AB3C11D13 -41.76 2.01 -9.75 -0.6 0
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399598 135041199 1 N3C17H25 A3B17C25 12.89 4.8 -8.05 0.32 0
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399599 135041201 2 O2C6H9 A2B6C9 -188.3 5.64 -10.11 0.37 0
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399600 135041204 1 NPdH15C17 ABC15D17 141.94 1.94 -7.23 0.17 0
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399601 135041214 1 O2C13H14 A2B13C14 -30.61 4.25 -9.05 -0.43 0
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399602 135041224 1 F2O2H10C13 A2B2C10D13 -124.87 3.71 -9.46 -1.17 0
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399603 135041232 1 NOC17H17 ABC17D17 5.5 3.1 -8.18 -0.04 0
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399604 135041233 1 O2H14C17 A2B14C17 10.81 2.75 -9.12 -0.85 0
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399605 135041236 1 NSC12H17 ABC12D17 25.72 0.93 -8.58 -0.29 0
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399606 135041237 1 SN3H7C12 AB3C7D12 180.17 2.14 -8.77 -0.98 0
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399607 135041238 1 IC17H19 AB17C19 30.71 2.54 -9.01 -0.64 0
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399608 135041239 1 N3C11H21 A3B11C21 4.58 3.46 -7.67 1.17 0
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399609 135041240 1 O3C15H26 A3B15C26 -161.89 7.06 -9.72 0.67 0
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399610 135041241 1 N2O4H6C7 A2B4C6D7 -29.29 4.22 -10.02 -1.77 0
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399611 135041242 1 NSO2C12H15 ABC2D12E15 -61.56 3.14 -8.81 -0.51 0
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399612 135041243 1 F3O3C13H17 A3B3C13D17 -277.78 2.65 -9.5 0.24 0
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399613 135041244 1 O3H10C13 A3B10C13 -44.3 3.45 -9.59 -1.14 0
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399614 135041245 18 CH AB 63.15 1.13 -8.65 -0.06 0
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399615 135041246 2 O3C7H10 A3B7C10 -237.62 2.0 -10.33 0.42 0
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399616 135041247 1 ON2H11C15 AB2C11D15 79.21 6.59 0.0 0.0 0
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399617 135041255 1 BrFON2H14C15 ABCD2E14F15 -35.42 1.51 -8.43 -0.73 0
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399618 135041271 1 BNCl2H10C13 ABC2D10E13 -16.9 4.83 -8.43 -0.79 0
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399619 135041282 1 O3H12C13 A3B12C13 -97.13 6.13 -10.03 -0.9 0
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399620 135041285 1 O2C17H20 A2B17C20 -51.86 1.8 -9.07 -0.56 0
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399621 135041287 2 OC8H12 AB8C12 -76.52 3.9 -9.27 0.42 0
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399622 135041304 1 NSO2C16H19 ABC2D16E19 2.17 6.7 -9.43 -0.47 0
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399623 135041322 1 NSiO2C13H29 ABC2D13E29 -160.42 2.4 -8.72 1.29 0
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399624 135041331 1 IOH11C16 ABC11D16 56.1 0.69 -8.98 -0.9 0
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399625 135041334 1 OH6C9 AB6C9 77.43 1.45 -8.84 -0.27 0
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399626 135041335 1 NO2H13C15 AB2C13D15 -10.78 1.18 -8.66 -0.77 0
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399627 135041348 1 NOC13H15 ABC13D15 -14.13 5.35 -8.45 0.0 0
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399628 135041352 1 ON2C11H14 AB2C11D14 2.47 0.66 -8.31 -0.17 0
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399629 135041362 2 NOC7H9 ABC7D9 27.78 7.93 -9.36 -1.15 0
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399630 135041364 1 NOSiC16H27 ABCD16E27 -88.2 3.76 -8.89 0.02 0
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399631 135041366 1 ON2C16H22 AB2C16D22 4.97 2.31 -8.86 -0.24 0
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399632 135041391 1 BrC19H19 AB19C19 66.1 2.05 -9.14 -0.35 0
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399633 135041392 1 BrClON3H9C12 ABCD3E9F12 33.4 4.28 -9.47 -0.96 0
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399634 135041395 2 NOC4H8 ABC4D8 -78.09 3.9 -8.65 0.41 0
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399635 135041396 2 OC8H12 AB8C12 -58.02 7.22 -9.0 -0.34 0
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399636 135041398 1 OC19H34 AB19C34 -86.8 1.61 -9.56 1.04 0
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399637 135041399 1 NSF3O3H6C10 ABC3D3E6F10 -209.68 3.73 -9.6 -1.83 0
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399638 135041400 1 O2C17H22 A2B17C22 -77.99 2.15 -9.05 0.23 0
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399639 135041403 2 OC6H10 AB6C10 -99.87 3.18 -9.35 0.56 0
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399640 135041404 2 O2C7H10 A2B7C10 -176.41 4.24 -9.37 0.36 0
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399641 135041406 1 OH14C18 AB14C18 100.0 2.21 -8.95 -0.8 0
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399642 135041411 1 OSiC18H28 ABC18D28 -71.51 1.13 -9.18 0.38 0
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399643 135041419 1 NO3C13H21 AB3C13D21 -164.46 3.28 -9.27 0.84 0
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399644 135041431 1 O4C11H16 A4B11C16 -175.15 4.34 -10.19 0.18 0
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399645 135041455 1 O4C15H20 A4B15C20 -168.21 1.13 -9.43 0.27 0
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399646 135041456 1 SiO4C14H26 AB4C14D26 -206.75 2.98 -8.92 -0.66 0
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399647 135041465 1 SiO2C15H32 AB2C15D32 -166.49 3.76 -9.6 0.55 0
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399648 135041488 1 NSO3C15H19 ABC3D15E19 -76.78 5.81 -9.29 -0.61 0
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399649 135041490 1 BrNO2C14H18 ABC2D14E18 -88.19 1.46 -9.54 -0.36 0
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399650 135041493 1 FO3C15H19 AB3C15D19 -180.32 3.63 -9.47 0.06 0
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399651 135041528 1 BrNH14C17 ABC14D17 60.61 3.65 -8.23 -0.58 0