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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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217526 85087942 1 NO2C25H25 AB2C25D25 -5.85 4.49 -9.22 -0.15 0
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217527 85087944 1 N2Cl3O4C13H17 A2B3C4D13E17 12.5 13.06 -9.18 -2.51 1
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217528 85087945 1 Cl2N2C13H17 A2B2C13D17 31.93 2.27 0.0 0.0 0
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217529 85087948 1 PO4N6C14H25 AB4C6D14E25 -170.8 5.9 -9.15 -0.61 0
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217530 85087949 1 O7C20H20 A7B20C20 -136.42 4.22 -10.35 -1.08 0
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217531 85087950 3 O2C7H8 A2B7C8 -231.83 2.78 -9.56 -0.6 0
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217532 85087951 3 O2C7H8 A2B7C8 -235.92 1.61 -8.41 -0.33 0
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217533 85087958 1 SO6C18H28 AB6C18D28 -258.75 6.12 -9.9 -0.6 0
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217534 85087959 1 SO4C21H24 AB4C21D24 -101.79 5.64 -9.2 -0.77 0
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217535 85087960 1 O4C23H32 A4B23C32 -195.1 6.48 -9.18 -0.32 0
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217536 85087961 1 SN2O2C21H28 AB2C2D21E28 -80.95 8.6 -8.89 0.05 0
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217537 85087962 1 NaSSiN2O2C17H25 ABCD2E2F17G25 -15.22 28.23 -5.92 -2.22 0
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217538 85087963 1 SiO4C20H40 AB4C20D40 -270.07 2.95 -8.66 0.83 0
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217539 85087967 1 BrO5C16H21 AB5C16D21 -207.89 3.53 -9.69 -0.25 0
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217540 85087968 1 N3O3F5C14H20 A3B3C5D14E20 -390.59 1.07 -9.72 -1.12 0
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217541 85087973 1 ON5C22H23 AB5C22D23 86.98 6.26 -8.46 -1.86 0
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217542 85087975 1 OSN3H19C22 ABC3D19E22 96.6 2.05 -8.63 -1.08 0
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217543 85087976 1 NSO3C21H27 ABC3D21E27 -89.21 5.15 -9.84 -0.34 0
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217544 85087977 1 ClSN3O3H12C17 ABC3D3E12F17 29.63 4.05 -9.63 -2.1 0
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217545 85087978 1 N2O7C18H18 A2B7C18D18 -214.64 2.74 -8.85 -1.86 0
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217546 85087979 1 O7C20H22 A7B20C22 -207.62 6.24 -10.29 -1.01 0
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217547 85087988 1 N2O2C23H38 A2B2C23D38 -129.89 5.74 -8.91 0.73 0
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217548 85087989 1 O2C25H42 A2B25C42 -126.84 1.49 -8.72 0.52 0
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217549 85087990 2 SiO2C9H19 AB2C9D19 -322.47 4.48 -8.97 0.8 0
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217550 85087991 1 NF2O4H19C20 AB2C4D19E20 -205.94 8.42 -9.4 -0.1 0
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217551 85087992 1 CuN2O2C19H22 AB2C2D19E22 58.1 9.36 0.0 0.0 0
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217552 85087993 1 NaSO2N3H18C19 ABC2D3E18F19 35.18 20.67 -7.17 -0.82 0
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217553 85087994 1 SO2N3C19H19 AB2C3D19E19 42.29 3.18 -8.83 -0.87 0
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217554 85087995 1 NSO7C16H25 ABC7D16E25 -291.16 3.22 -9.17 -0.42 0
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217555 85087996 1 NSO5C19H21 ABC5D19E21 -179.97 8.42 -9.06 -0.16 1
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217556 85087997 1 FO2N5C19H27 AB2C5D19E27 -69.67 5.38 0.0 0.0 0
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217557 85087998 1 N3O4C20H29 A3B4C20D29 -170.16 3.98 -9.74 -0.44 0
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217558 85087999 1 N3O4C20H29 A3B4C20D29 -126.54 4.74 -9.32 -0.74 0
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217559 85088000 1 O2N3C23H25 A2B3C23D25 -20.9 2.63 -8.28 -0.57 0
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217560 85088002 1 OSN3C22H25 ABC3D22E25 19.68 6.34 -8.92 -0.62 0
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217561 85088003 1 ClFO3N5H15C16 ABC3D5E15F16 -107.52 4.47 -9.44 -0.78 0
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217562 85088004 1 ClN3O5H14C17 AB3C5D14E17 7.44 6.58 -9.45 -1.76 0
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217563 85088005 1 OSiTeC15H24 ABCD15E24 -76.96 1.44 -8.07 0.07 0
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217564 85088006 1 IO3C15H21 AB3C15D21 -114.47 2.03 -9.43 -0.76 0
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217565 85088007 1 IOSC15H21 ABCD15E21 -35.05 4.22 -8.75 -0.74 0
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217566 85088008 1 PN4O7C13H21 AB4C7D13E21 -305.35 7.85 -9.62 -0.56 0
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217567 85088009 1 N4O6C17H20 A4B6C17D20 -121.63 9.55 -9.7 -1.78 0
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217568 85088012 1 SO3N4H18C19 AB3C4D18E19 13.01 7.53 -9.15 -1.61 0
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217569 85088013 1 O9C17H28 A9B17C28 -409.6 4.99 -10.11 0.42 0
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217570 85088019 1 N2O5C20H28 A2B5C20D28 -230.49 4.29 -9.95 -0.37 0
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217571 85088022 2 ON2C11H12 AB2C11D12 24.5 4.63 -8.94 -0.92 0
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217572 85088027 1 SiO4C21H32 AB4C21D32 -200.78 2.28 -9.74 -0.13 0
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217574 85088033 1 NO11C14H19 AB11C14D19 -417.71 7.21 -10.92 -0.8 0
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217575 85088034 1 NNaPO6C16H21 ABCD6E16F21 -355.75 10.55 -8.73 0.2 0
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217576 85088035 1 NPO6C16H22 ABC6D16E22 -313.1 5.41 -9.97 -0.21 0
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217577 85088036 1 NaSO2N3C19H20 ABC2D3E19F20 -64.79 9.81 -7.84 -0.61 0
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217578 85088037 1 SO2N3C19H21 AB2C3D19E21 0.22 2.77 -8.53 -0.4 0
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217579 85088038 1 SN3O4C18H23 AB3C4D18E23 -136.09 10.92 -9.49 -0.67 0
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217580 85088039 1 SO2N3H19C21 AB2C3D19E21 -2.71 6.39 -9.15 -1.41 0
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217581 85088040 1 SO2N3C21H25 AB2C3D21E25 -24.02 7.42 -9.09 -0.13 0
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217582 85088041 1 OSN5H19C20 ABC5D19E20 76.94 3.71 -8.07 -0.73 0
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217583 85088050 1 O5H22C23 A5B22C23 -139.5 9.25 -9.31 -1.13 0
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217584 85088056 1 BrOH19C22 ABC19D22 28.7 2.0 -9.01 -0.37 0
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217585 85088060 1 NO4C23H25 AB4C23D25 -109.83 2.86 -8.7 -0.18 0
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217586 85088062 1 ON3C25H29 AB3C25D29 54.17 5.9 -8.54 -0.67 0
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217587 85088063 1 O2N3C22H43 A2B3C22D43 -171.68 3.93 -9.79 0.12 0
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217588 85088064 1 BrNO3C18H22 ABC3D18E22 -96.01 1.27 -9.24 -0.07 0
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217589 85088070 1 N2O7C18H24 A2B7C18D24 -288.77 2.98 -10.07 -1.19 0
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217590 85088072 1 PSO5C18H21 ABC5D18E21 -176.77 9.83 -10.1 -0.44 0
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217591 85088073 1 SO2N6H16C18 AB2C6D16E18 57.66 4.31 -8.9 -1.07 0
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217592 85088074 1 O5C23H24 A5B23C24 -136.82 5.68 -8.47 -0.43 0
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217593 85088077 1 S2O5C18H20 A2B5C18D20 -144.18 2.26 -9.19 -0.94 0
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217594 85088078 1 O2H24C27 A2B24C27 124.46 3.58 -8.65 -1.05 0
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217595 85088079 2 NOC12H16 ABC12D16 -66.0 3.46 -8.0 0.0 0
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217596 85088080 1 SiO3C23H28 AB3C23D28 -134.64 4.13 -9.12 -0.19 0
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217597 85088081 1 SC26H36 AB26C36 2.03 2.12 -8.49 -0.06 0
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217598 85088082 1 ClSN6O6C10H13 ABC6D6E10F13 -159.33 3.71 -9.32 -0.88 0
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217599 85088085 1 BrO3C19H25 AB3C19D25 -122.51 5.47 -9.58 -0.1 0
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217600 85088086 1 N5O5H15C18 A5B5C15D18 46.25 12.66 -9.4 -1.9 0
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217601 85088087 1 O4N7H15C17 A4B7C15D17 127.36 10.0 -9.2 -1.74 0