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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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48470 10586050 1 N2C15H30 A2B15C30 -26.34 1.73 -7.87 3.07 0
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48471 10586075 1 NSO3C11H13 ABC3D11E13 -93.74 6.49 -9.0 -0.78 0
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48472 10586175 1 O2N3H11C13 A2B3C11D13 54.97 2.22 -9.61 -1.15 0
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48473 10586197 1 O2N3C12H23 A2B3C12D23 -66.0 3.16 -10.28 -0.19 0
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48474 10586280 1 OC16H34 AB16C34 -121.38 2.1 -10.19 2.75 0
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48475 10586296 2 ON2H5C6 AB2C5D6 -10.73 3.69 -9.45 -1.74 0
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48476 10586553 1 BrO2C10H15 AB2C10D15 -79.42 1.92 -9.93 -0.44 0
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48477 10586603 1 ClNOSC11H18 ABCDE11F18 -64.51 3.5 -9.45 -1.02 0
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48478 10586604 1 NCl2O2C10H11 AB2C2D10E11 -20.64 1.69 -9.32 -1.41 0
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48479 10586612 1 O2F3C12H15 A2B3C12D15 -240.2 4.15 -9.14 -0.14 0
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48480 10586661 2 OC8H12 AB8C12 -84.7 3.64 -9.14 0.29 0
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48481 10586887 1 OF3H11C14 AB3C11D14 -154.08 3.84 -9.15 -0.75 0
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48482 10587212 1 ClSN2O2H9C10 ABC2D2E9F10 -33.25 1.04 -8.96 -1.01 0
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48483 10587213 1 ClO3C13H17 AB3C13D17 -122.46 4.97 -8.86 -0.09 0
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48484 10587215 2 ClNOH3C5 ABCD3E5 14.04 3.65 -9.01 -1.83 0
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48485 10587349 1 BrO2C11H15 AB2C11D15 -67.42 2.02 -9.54 -0.12 0
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48486 10587359 1 SN3O4C9H13 AB3C4D9E13 -113.03 4.41 -9.57 -0.9 0
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48487 10587360 1 SN3O4C9H13 AB3C4D9E13 -110.74 5.01 -9.64 -1.09 0
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48488 10587478 1 FNO3H12C14 ABC3D12E14 -121.37 9.2 -9.6 -1.25 0
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48489 10587532 1 N2O5H10C12 A2B5C10D12 -93.97 2.63 -10.12 -1.53 0
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48490 10587854 1 S3C12H26 A3B12C26 -58.52 3.78 -8.7 0.25 1
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48491 10587863 1 OSN2H11C12 ABC2D11E12 46.34 0.9 0.0 0.0 0
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48492 10587864 1 ClOC16H23 ABC16D23 -66.27 3.64 -8.49 0.44 0
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48493 10587868 1 BrN2O2H7C10 AB2C2D7E10 -0.24 5.65 -9.62 -1.13 0
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48494 10587964 1 O3H16C17 A3B16C17 -67.62 4.39 -8.49 -1.06 0
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48495 10587966 1 O3H16C17 A3B16C17 -61.62 4.06 -8.64 -0.51 0
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48496 10587968 1 N2O4C13H20 A2B4C13D20 -162.73 2.93 -9.64 -0.13 0
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48497 10588262 1 ON4C15H20 AB4C15D20 -3.01 8.35 -8.86 -0.47 0
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48498 10588417 1 SiS2C13H26 AB2C13D26 -47.83 1.07 -8.18 0.34 0
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48499 10588655 2 O2C8H11 A2B8C11 -171.84 2.47 -9.64 0.1 0
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48500 10588811 5 OC3H4 AB3C4 -202.06 4.82 -10.18 0.26 0
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48501 10588812 5 OC3H4 AB3C4 -120.44 3.72 -9.34 -0.2 0
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48502 10588814 1 O3H16C18 A3B16C18 -79.61 6.1 -9.68 -0.22 0
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48503 10588815 2 NO2C7H10 AB2C7D10 -143.28 3.03 -8.33 0.05 0
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48504 10588868 1 BrN2O2H9C11 AB2C2D9E11 -0.46 4.85 -9.46 -1.04 0
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48505 10852008 1 BrNO2H10C14 ABC2D10E14 -8.65 6.59 -9.67 -1.32 0
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48506 10852011 1 BF2O2C17H19 AB2C2D17E19 -226.13 4.59 -9.31 -0.59 1
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48507 10852013 1 N2C11H17 A2B11C17 37.15 3.57 0.0 0.0 0
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48508 10852036 1 SN2O4H12C14 AB2C4D12E14 -82.58 3.14 -9.37 -1.49 0
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48509 10852039 1 SN4O5C10H16 AB4C5D10E16 -190.59 8.16 -9.2 -0.83 0
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48510 10852040 1 O5C17H20 A5B17C20 -177.84 2.25 -9.51 0.06 0
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48511 10852044 2 NO2C8H10 AB2C8D10 -135.44 4.74 -8.56 -0.5 0
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48512 10852048 1 FN2O2C17H21 AB2C2D17E21 -113.66 3.49 -9.64 -0.42 0
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48513 10852051 1 SO2N4C14H16 AB2C4D14E16 -17.44 10.71 -8.66 -0.76 0
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48514 10852056 2 O2C9H12 A2B9C12 -193.78 2.79 -9.99 -0.69 0
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48515 10852282 1 NOC18H25 ABC18D25 -28.4 3.29 -8.48 0.36 0
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48516 10852284 1 ClNOC17H38 ABCD17E38 -113.76 13.3 -8.21 0.0 1
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48517 10852285 1 NOC17H38 ABC17D38 -77.27 0.87 0.0 0.0 0
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48518 10852286 1 BNaO6C13H16 ABC6D13E16 -359.3 6.16 -8.18 0.62 0
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48519 10852289 2 NO3C7H8 AB3C7D8 -107.87 6.54 -10.08 -1.37 0
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48520 10852290 2 NO3C7H8 AB3C7D8 -134.38 8.99 -8.67 -1.47 0
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48521 11077254 1 N2O3C16H26 A2B3C16D26 -107.69 1.82 -9.48 0.16 0
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48522 11077348 1 NO3C18H19 AB3C18D19 -43.41 6.05 -8.73 -0.7 0
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48523 11077415 1 BrSiC14H23 ABC14D23 19.82 2.5 -9.86 0.04 0
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48524 11077531 1 NPO7C11H14 ABC7D11E14 -274.43 5.27 -11.03 -2.13 0
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48525 11077829 1 O5H16C18 A5B16C18 -142.35 4.59 -9.03 -0.73 0
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48526 11078000 1 NO2H19C22 AB2C19D22 -9.94 2.93 -9.5 -0.67 0
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48527 11078020 1 ON2F3H13C18 AB2C3D13E18 -129.29 4.58 -8.98 -1.23 0
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48528 11078697 1 BrN2O2H9C17 AB2C2D9E17 18.56 4.58 -9.64 -2.2 0
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48529 11078729 1 N2O5H18C19 A2B5C18D19 -96.49 4.88 -9.09 -0.77 0
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48530 11078735 3 OH6C8 AB6C8 -36.62 5.36 -9.25 -0.92 0
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48531 11078774 1 NSO3C20H21 ABC3D20E21 -26.95 6.71 -9.18 -0.56 0
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48532 11078799 1 SN2O4H16C18 AB2C4D16E18 -88.48 2.5 -8.9 -1.15 0
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48533 11078846 2 O2C11H15 A2B11C15 -169.62 7.4 -8.85 -0.34 0
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48534 11080949 1 NSO6C24H25 ABC6D24E25 -216.82 5.17 -8.76 -1.29 0
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48535 11108071 1 N2O3C14H16 A2B3C14D16 -105.53 5.43 -8.7 -0.4 0
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48536 11108073 1 PO3C13H25 AB3C13D25 -215.99 1.62 -9.3 1.02 0
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48537 11108074 1 SN2O2H12C13 AB2C2D12E13 -21.07 1.44 -9.21 -0.38 0
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48538 11108075 1 O5C13H24 A5B13C24 -267.12 3.92 -9.97 0.69 0
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48539 11108076 1 O3C16H20 A3B16C20 -101.65 3.4 -9.61 -0.92 0
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48540 11108077 1 O3C16H20 A3B16C20 -119.54 3.26 -8.67 -0.47 0
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48541 11108078 1 N2O2C15H20 A2B2C15D20 -23.16 2.91 -8.83 -0.39 1
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48542 11108079 1 N2O2C15H21 A2B2C15D21 -24.36 4.16 0.0 0.0 0
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48543 11108080 1 N2O2C15H20 A2B2C15D20 -51.41 5.66 -9.87 -0.31 0
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48544 11108082 1 O2C17H24 A2B17C24 -58.54 4.48 -9.64 0.11 0
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48545 11108085 2 OH2S2C4 AB2C2D4 13.47 0.16 -8.28 -1.21 0
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48546 11108086 1 SN2C15H20 AB2C15D20 21.34 2.39 -8.27 0.34 0
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48547 11108087 1 SiO3C13H28 AB3C13D28 -230.51 0.74 -9.17 0.8 0
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48548 11108089 1 OSiC16H24 ABC16D24 -51.16 2.44 -9.39 0.12 0
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48549 11108090 1 OSiC16H24 ABC16D24 -59.71 0.87 -8.91 0.28 0
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48550 11108093 1 ClO3H9C14 AB3C9D14 -59.25 3.38 -9.09 -1.37 0
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48551 11108094 1 ClN2O2H9C13 AB2C2D9E13 -27.32 7.39 -9.72 -1.38 0
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48552 11108095 1 ClON2H13C14 ABC2D13E14 -1.21 2.11 -9.62 -0.24 0
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48553 11108168 1 NO2S2F3C7H12 AB2C2D3E7F12 -235.46 7.17 -9.07 -1.42 0
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48554 11108182 1 NSSiO3C10H21 ABCD3E10F21 -168.74 1.91 -8.92 0.5 0
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48555 11108183 1 NC18H33 AB18C33 -29.04 0.98 -8.4 0.8 0
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48556 11108248 1 NO4C14H19 AB4C14D19 -142.11 1.91 -8.18 0.24 0
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48557 11108249 1 NO4C14H19 AB4C14D19 -179.17 2.8 -10.01 0.07 0
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48558 11108250 1 NO4C14H19 AB4C14D19 -166.09 1.98 -9.59 0.08 0
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48559 11108251 1 NO2H15C17 AB2C15D17 -37.04 6.59 -9.02 -0.62 0
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48560 11108252 1 NO2H15C17 AB2C15D17 65.84 1.97 -9.2 -0.4 0
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48561 11108253 1 NO2H15C17 AB2C15D17 -25.4 5.45 -8.41 -0.37 0
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48562 11108269 1 IO2C8H11 AB2C8D11 -78.1 3.2 -9.5 -0.83 0
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48563 11108282 1 O5C14H18 A5B14C18 -209.84 2.2 -9.56 0.17 0
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48564 11108285 1 N2O4C13H18 A2B4C13D18 -122.05 2.91 -10.01 -0.46 0
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48565 11108321 1 NSO5H9C11 ABC5D9E11 -164.63 5.24 -9.59 -1.59 0
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48566 11108555 1 SO3H14C15 AB3C14D15 -84.25 5.02 -9.13 -0.62 0
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48567 11108588 1 NO5C13H25 AB5C13D25 -275.27 3.05 -9.9 0.3 0
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48568 11108611 1 ON2H16C18 AB2C16D18 42.95 3.06 -8.72 -0.62 0
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48569 11108631 1 FNOH12C18 ABCD12E18 -6.17 2.03 -8.66 -1.31 0