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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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7421 72505 1 O7C19H22 A7B19C22 -226.46 2.54 -9.71 -0.91 0
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7422 72513 1 N4O5C10H10 A4B5C10D10 -99.4 10.66 -9.41 -1.31 0
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7423 72516 1 SN3O5C8H11 AB3C5D8E11 -157.39 6.25 -9.88 -0.87 0
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7424 72522 1 N4O5C16H20 A4B5C16D20 -147.74 4.04 -9.15 -1.74 0
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7425 72535 1 N10O12C57H96 A10B12C57D96 -613.07 4.53 -9.06 0.12 0
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7426 72536 1 O3C21H28 A3B21C28 -62.63 8.87 -8.22 -1.59 0
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7427 72545 1 ClNS2H6C7 ABC2D6E7 37.95 0.41 -9.28 -0.7 0
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7428 72554 2 NSO2C9H10 ABC2D9E10 -128.75 2.32 -8.81 -1.59 0
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7429 72555 2 NSO2C10H12 ABC2D10E12 -144.44 3.51 -9.09 -1.57 0
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7430 72585 2 CNSH3 ABCD3 33.24 2.66 -8.74 -0.12 0
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7431 72611 1 ClNO2C8H14 ABC2D8E14 -113.89 2.98 -8.98 0.74 0
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7432 72612 1 NO2C8H13 AB2C8D13 -78.76 1.59 -8.98 0.45 0
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7433 72613 1 NCl2O6C18H27 AB2C6D18E27 -309.81 1.76 -9.1 -0.01 0
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7434 72614 1 ClNO6C18H26 ABC6D18E26 -273.09 3.99 -9.23 0.05 0
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7435 72665 1 SN4O5H16C20 AB4C5D16E20 -54.77 4.94 -8.97 -2.02 0
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7436 72666 1 O2N3C12H13 A2B3C12D13 -19.71 7.23 -8.76 -0.74 0
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7437 72672 1 ClNaSN4O5H12C16 ABCD4E5F12G16 -181.73 5.06 -8.59 -1.14 0
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7438 72676 1 NNaS2C7H14 ABC2D7E14 -45.04 2.21 -7.56 0.41 0
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7439 72694 1 S2N4O7H20C24 A2B4C7D20E24 -162.93 13.43 -8.96 -1.79 0
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7440 72702 2 OSN5C15H21 ABC5D15E21 43.82 10.38 -8.15 -0.53 0
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7441 72703 1 ClNO4H16C19 ABC4D16E19 -98.62 3.19 -8.04 -0.87 0
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7442 72705 1 ON5C11H11 AB5C11D11 50.58 2.77 -8.2 -0.77 0
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7443 72707 1 OS2H4C7 AB2C4D7 -5.43 3.99 -8.96 -1.72 0
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7444 72710 2 ON2H7C9 AB2C7D9 41.65 6.3 -8.6 -0.76 0
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7445 72712 1 SN2O2C22H26 AB2C2D22E26 -53.97 3.42 -8.34 -0.88 0
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7446 72718 1 ON2H12C13 AB2C12D13 24.42 3.32 -9.53 -0.66 0
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7447 72719 1 O3C6N7H15 A3B6C7D15 -71.01 3.13 -9.94 -0.23 0
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7448 72726 1 NO14C45H53 AB14C45D53 -457.86 4.16 -8.74 -1.03 0
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7449 72729 1 N4O4C15H16 A4B4C15D16 12.52 6.07 -10.08 -1.96 0
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7450 72730 1 O2N3C8H15 A2B3C8D15 -25.85 4.53 -8.65 -0.85 0
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7451 72733 1 O3C19H40 A3B19C40 -213.96 3.38 -9.99 1.5 0
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7452 72734 3 OH4C5 AB4C5 -61.74 0.93 -9.19 -1.7 0
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7453 72739 1 N2O3C19H20 A2B3C19D20 -69.63 5.39 -8.12 -1.54 0
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7454 72741 2 NO2H11C14 AB2C11D14 -69.68 3.2 -7.86 -1.58 0
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7455 72742 1 O7H12C16 A7B12C16 -237.5 3.66 -9.04 -1.9 0
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7456 72744 1 N2S2O7H16C22 A2B2C7D16E22 -175.21 10.88 -8.89 -2.45 0
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7457 72745 4 NO2H6C11 AB2C6D11 -68.31 8.57 -7.9 -2.24 0
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7458 72746 1 N3O4H15C30 A3B4C15D30 6.51 4.16 -9.31 -2.24 0
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7459 72752 1 NSO7H9C14 ABC7D9E14 -242.11 2.66 -8.57 -1.71 0
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7460 72753 1 Br2O5H10C20 A2B5C10D20 -92.58 12.53 -9.14 -2.08 0
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7461 72755 1 H5N5O8C12 A5B5C8D12 37.88 0.59 -10.82 -3.0 0
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7462 72761 2 NOC2H3 ABC2D3 -71.18 7.7 -10.18 -0.14 0
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7463 72770 1 N3C16H17 A3B16C17 39.64 4.04 -8.08 -0.67 0
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7464 72780 1 Cl2N2H6C7 A2B2C6D7 90.7 2.79 -9.8 -1.8 0
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7465 72785 1 OBr2N2H6C7 AB2C2D6E7 23.24 3.25 -9.9 -1.89 0
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7466 72786 1 ClBr2N2H3C6 AB2C2D3E6 58.04 2.52 -10.31 -2.24 0
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7467 72797 1 N2H13C14 A2B13C14 64.79 1.29 0.0 0.0 1
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7468 72806 2 NO2C16H33 AB2C16D33 -256.8 2.51 -8.54 1.85 0
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7469 72807 1 O2N3C11H19 A2B3C11D19 -74.73 1.23 -8.9 -0.11 0
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7470 72809 1 O2N3C14H17 A2B3C14D17 -37.27 1.44 -8.41 -0.21 0
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7471 72822 1 SO2C3H4 AB2C3D4 -82.06 5.03 -9.85 -0.72 0
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7472 72905 1 AsNO5C6H6 ABC5D6E6 -81.23 5.67 -10.76 -1.46 0
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7473 72916 1 C2O2H3N3 A2B2C3D3 -56.14 1.58 -10.43 -0.34 0
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7474 72919 1 NC12H19 AB12C19 -4.15 1.82 -9.67 0.03 0
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7475 72921 1 NOC7H9 ABC7D9 -21.71 2.25 -10.28 -0.3 0
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7476 72925 2 NOC3H3 ABC3D3 -64.1 4.82 -9.71 -0.9 0
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7477 72950 1 ON2C26H47 AB2C26D47 -73.33 4.98 0.0 0.0 1
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7478 73028 1 ClON3C12H12 ABC3D12E12 9.53 5.0 -8.73 -0.41 0
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7479 73032 1 S5N6O15H24C32 A5B6C15D24E32 -406.94 8.23 -9.12 -2.19 0
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7480 73033 1 Na3S3N7O12H28C41 A3B3C7D12E28F41 -303.82 52.76 -8.39 -2.61 0
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7481 73034 1 S3N7O12H31C41 A3B7C12D31E41 -258.1 20.91 -8.98 -1.75 0
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7482 73035 1 Na3S3N6O12H25C38 A3B3C6D12E25F38 -284.24 36.36 -7.77 -3.04 0
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7483 73041 1 SN2O13C31H32 AB2C13D31E32 -497.93 11.9 -9.4 -1.32 0
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7484 73045 1 O8H18C19 A8B18C19 -247.71 4.57 -8.63 -1.09 0
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7485 73046 1 O2N4C7H16 A2B4C7D16 -84.74 6.93 -9.12 0.52 0
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7486 73054 1 O7C28H38 A7B28C38 -293.47 8.36 -10.11 -0.61 0
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7487 73058 2 O3C13H13 A3B13C13 -187.04 1.48 -8.68 -0.55 0
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7488 73116 1 Br4N4O9C24H24 A4B4C9D24E24 -200.59 2.34 -9.57 -1.24 0
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7489 73117 2 O3C11H13 A3B11C13 -190.02 4.39 -8.34 0.16 0
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7490 73118 1 O8C23H26 A8B23C26 -252.9 4.02 -8.62 -0.27 0
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7491 73123 1 O10H20C21 A10B20C21 -352.8 12.09 -8.88 -1.55 0
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7492 73133 1 N2O3C9H10 A2B3C9D10 -40.53 8.33 -9.24 -1.1 0
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7493 73135 1 Cl2N2O4H22C33 A2B2C4D22E33 -22.4 7.99 -8.83 -1.68 0
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7494 73137 1 N2O3H6C8 A2B3C6D8 -6.95 5.01 -9.72 -1.62 0
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7495 73138 1 N2O5H8C9 A2B5C8D9 -110.58 10.64 -10.05 -1.8 0
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7496 73140 1 ClNOS2H8C10 ABCD2E8F10 -5.42 2.24 -9.22 -1.38 0
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7497 73141 1 ClNSO2F4H8C13 ABCD2E4F8G13 -243.13 5.37 -10.02 -1.18 0
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7498 73144 1 S15H32C41O71 A15B32C41D71 -2668.96 6.28 -9.97 -2.7 0
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7499 73146 1 NO8C38H61 AB8C38D61 -437.76 9.53 -9.49 0.49 0
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7500 73148 1 O23C54H92 A23B54C92 -1102.34 5.72 -9.27 0.52 0
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7501 73151 1 N2O4C21H22 A2B4C21D22 -98.87 4.92 -8.57 -0.62 0
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7502 73152 1 N7O27C75H117 A7B27C75D117 -1206.51 7.72 -8.5 -0.61 0
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7503 73153 1 N5O19C67H103 A5B19C67D103 -841.54 9.69 -8.28 -0.35 0
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7504 73154 1 O7C20H26 A7B20C26 -280.04 3.32 -9.05 -0.29 0
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7506 73160 1 O6H14C15 A6B14C15 -222.54 0.66 -8.94 -0.31 0
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7507 73163 2 O7C22H38 A7B22C38 -712.92 8.61 -9.09 0.8 0
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7508 73169 1 SO3N4H8C10 AB3C4D8E10 1.76 5.04 -9.4 -1.65 0
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7509 73173 2 ON2C3H3 AB2C3D3 -31.54 3.57 -10.44 -1.47 0
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7510 73178 2 O11H14C17 A11B14C17 -819.9 6.15 -9.2 -1.28 0
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7511 73184 1 PC2H5O5 AB2C5D5 -250.08 3.14 -10.49 -0.42 0
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7512 73198 1 O6C25H28 A6B25C28 -232.72 1.98 -9.05 -0.79 0
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7513 73199 1 O5H18C20 A5B18C20 -145.24 7.01 -8.92 -1.31 0
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7514 73200 1 O6H16C17 A6B16C17 -162.55 3.62 -8.26 -2.1 0
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7515 73201 2 O2H7C8 A2B7C8 -118.54 4.48 -9.43 -0.28 0
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7516 73204 1 O6C25H28 A6B25C28 -236.34 3.3 -8.81 -0.61 0
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7517 73205 2 O3C10H10 A3B10C10 -228.99 5.35 -8.98 -0.61 0
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7518 73206 1 O5H18C20 A5B18C20 -144.88 12.75 -8.87 -1.58 0
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7519 73207 1 O7H16C18 A7B16C18 -208.55 3.0 -8.75 -1.04 0
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7520 73211 2 SN2O5C32H41 AB2C5D32E41 -296.27 15.28 -7.9 -0.88 0
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7521 73212 1 Pb A 88.67 0.0 -5.49 -1.71 2