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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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386545 134982086 2 ClOH7C14 ABC7D14 66.72 2.6 -9.15 -1.62 0
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386546 134982090 1 ClNOC17H18 ABCD17E18 1.52 5.9 -8.52 -0.1 0
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386547 134982092 1 NOH19C21 ABC19D21 36.54 1.72 -9.23 0.1 0
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386548 134982093 1 OSiC13H24 ABC13D24 -98.18 1.33 -8.72 0.26 0
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386550 134982101 1 SiO4C16H24 AB4C16D24 -201.19 2.97 -8.96 -0.76 0
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386551 134982102 1 OSiC20H40 ABC20D40 -141.34 2.27 -8.65 0.86 0
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386554 134982115 1 O3C16H20 A3B16C20 -100.66 3.61 -9.65 -0.63 0
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386555 134982132 2 OH11C12 AB11C12 -1.08 0.77 -8.7 -0.15 0
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386556 134982135 1 NSiO2C19H39 ABC2D19E39 -183.72 3.17 -8.76 0.29 0
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386557 134982136 1 NSiO2C19H39 ABC2D19E39 -183.01 2.67 -8.73 0.49 0
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386558 134982142 1 FeH18C24 AB18C24 155.55 3.51 -7.91 -1.22 0
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386559 134982150 2 H9C10 A9B10 67.25 0.66 -8.7 -0.32 0
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386560 134982154 1 OC19H20 AB19C20 18.53 1.96 -8.5 0.2 0
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386561 134982159 1 SSiO7C34H50 ABC7D34E50 -322.77 4.72 -8.81 -0.66 0
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386562 134982164 1 SSi2O7C27H50 AB2C7D27E50 -425.31 7.19 -8.62 -0.5 0
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386563 134982166 1 O3C13H18 A3B13C18 -132.8 3.91 -8.97 -0.46 0
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386564 134982169 1 O5C25H26 A5B25C26 -123.11 4.0 -9.59 -0.82 0
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386565 134982173 1 FeNSO3H13C16 ABCD3E13F16 211.38 3.94 -7.79 -0.97 0
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386566 134982174 1 FeNPO7H28C31 ABCD7E28F31 -204.85 5.52 -8.01 -0.67 -1
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386567 134982175 1 FeNPO2H24C28 ABCD2E24F28 107.62 4.62 -7.97 0.04 0
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386568 134982178 1 O11C20H22 A11B20C22 -419.76 0.86 -10.19 -1.48 0
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386569 134982179 1 O5C14H20 A5B14C20 -182.32 1.53 -9.61 -0.28 0
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386570 134982180 1 O7C34H48 A7B34C48 -296.78 5.37 -9.36 -0.01 0
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386571 134982184 1 ClOC13H17 ABC13D17 -29.31 3.62 -8.62 0.26 0
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386572 134982185 1 SiO3C16H28 AB3C16D28 -169.0 5.5 -9.32 0.57 0
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386573 134982186 1 O3C20H34 A3B20C34 -161.52 3.53 -9.51 0.67 0
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386574 134982188 1 SO2C16H22 AB2C16D22 -58.06 4.98 -9.2 -0.44 0
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386575 134982189 1 PSiO3C12H25 ABC3D12E25 -266.2 2.08 -8.52 0.25 0
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386576 134982194 3 OC6H6 AB6C6 -51.8 1.23 -8.12 -0.12 0
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386577 134982200 1 O2H16C17 A2B16C17 -23.87 3.18 -8.71 -0.34 0
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386578 134982202 1 O2H20C23 A2B20C23 6.9 2.68 -8.38 -0.08 0
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386579 134982208 1 O2C19H22 A2B19C22 -21.23 0.64 -8.44 -0.5 0
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386580 134982212 2 O2C10H11 A2B10C11 -119.32 5.21 -8.53 -0.62 0
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386582 134982225 1 NO2C18H21 AB2C18D21 -29.64 6.93 -8.27 0.28 0
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386583 134982226 1 NH21C22 AB21C22 108.75 4.15 -8.05 -0.59 0
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386584 134982229 1 N2O2H14C21 A2B2C14D21 128.85 6.87 -9.35 -1.52 0
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386585 134982230 1 O2C19H24 A2B19C24 -35.04 2.59 -8.25 -0.57 0
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386586 134982236 1 O2C19H34 A2B19C34 -121.76 2.36 -9.26 0.92 0
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386587 134982245 1 O4H20C25 A4B20C25 -79.0 7.42 -9.66 -0.94 0
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386588 134982248 1 N2C23H26 A2B23C26 134.73 4.87 -9.33 0.56 0
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386591 134982255 1 N3O5C31H43 A3B5C31D43 -214.12 7.11 -9.27 0.18 0
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386592 134982260 1 IC13H21 AB13C21 2.77 2.4 -9.07 -0.54 0
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386593 134982262 1 O5C25H42 A5B25C42 -219.82 2.85 -8.89 0.19 0
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386594 134982264 1 O5H17C18 A5B17C18 -135.2 3.63 0.0 0.0 0
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386595 134982265 3 OC7H12 AB7C12 -173.05 1.51 -8.73 0.46 0
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386596 134982267 1 OC20H28 AB20C28 -34.19 1.2 -8.82 -0.22 0
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386597 134982268 1 OC23H26 AB23C26 5.87 1.85 -9.1 0.38 0
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386598 134982275 2 O4C13H18 A4B13C18 -339.04 2.62 -10.05 -0.57 0
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386599 134982277 1 SiO2C14H28 AB2C14D28 -164.6 4.08 -8.68 -0.15 0
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386600 134982278 1 SiO3C23H30 AB3C23D30 -143.38 2.23 -8.95 0.12 0
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386601 134982280 1 O2C13H18 A2B13C18 -57.21 2.28 -8.35 0.35 0
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386602 134982282 1 SiO9C38H70 AB9C38D70 -524.44 2.27 -8.68 0.08 0
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386603 134982287 1 O4H20C21 A4B20C21 -97.82 4.36 -9.41 -0.44 0
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386604 134982290 1 PO3C22H23 AB3C22D23 -96.85 4.4 -9.76 -0.19 0
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386605 134982292 1 SiS2O3C31H56 AB2C3D31E56 -224.98 2.06 -8.51 0.29 0
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386607 134982302 1 NO2C13H19 AB2C13D19 -58.13 3.12 -10.2 0.64 0
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386608 134982309 1 SiO2C23H24 AB2C23D24 3.54 2.53 -8.69 -0.51 0
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386609 134982311 2 OC8H13 AB8C13 -93.09 5.11 -9.53 0.72 0
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386610 134982314 1 NS2O5C21H23 AB2C5D21E23 -132.2 4.27 -9.74 -0.58 0
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386611 134982322 1 SO2C20H24 AB2C20D24 -53.14 2.29 -7.99 0.29 0
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386612 134982325 1 FeOH16C19 ABC16D19 229.18 3.99 -7.4 -1.94 0
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386613 134982326 1 NO7C26H31 AB7C26D31 -263.69 2.29 -8.48 -0.05 0
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386614 134982339 3 O2C15H22 A2B15C22 -267.91 3.41 -7.66 -0.42 0
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386615 134982340 1 NH9C14 AB9C14 79.19 4.08 -8.74 -0.95 0
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386616 134982344 1 BrOH13C15 ABC13D15 55.79 3.6 -8.34 -0.27 0
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386617 134982357 1 NSO4C26H31 ABC4D26E31 -109.63 5.45 -8.82 -0.37 0
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386618 134982367 1 OSiC33H58 ABC33D58 -163.85 1.31 -8.29 0.76 0
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386619 134982368 1 PSO4C15H21 ABC4D15E21 -169.27 5.22 -8.48 -0.66 0
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386620 134982375 1 C25H26 A25B26 65.49 0.51 -8.07 0.68 0
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386621 134982378 3 C13H20 A13B20 123.21 1.37 -8.37 0.14 0
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386622 134982392 6 SO4C14H20 AB4C14D20 -706.6 12.58 -5.84 -1.54 0
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386623 134982395 6 NaSO4C14H19 ABC4D14E19 -1145.39 15.23 -4.7 -0.32 0
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386624 134982396 6 SO4C14H20 AB4C14D20 -855.52 13.73 -6.38 -2.66 0
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386625 134982398 2 S3H12C22 A3B12C22 201.47 3.1 -8.24 -1.14 0
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386626 134982399 1 H28C29 A28B29 62.47 0.32 -8.06 -0.1 0
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386627 134982400 2 O2C11H18 A2B11C18 -216.91 3.88 -8.65 1.74 0
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386628 134982401 1 FeOH24C26 ABC24D26 87.26 2.33 -7.62 -0.78 0
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386629 134982402 1 OH19C21 AB19C21 60.63 1.63 0.0 0.0 0
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386630 134982404 2 O2C11H17 A2B11C17 -178.1 2.21 -9.79 -0.64 0
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386631 134982405 1 OSH10C11 ABC10D11 -5.65 4.48 -9.44 -0.93 0
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386632 134982407 1 NO7C27H39 AB7C27D39 -288.11 4.1 -8.12 -0.08 0
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386633 134982409 1 SO3H24C28 AB3C24D28 -14.13 4.12 -8.53 -0.54 0
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386634 134982410 1 ON2H22C24 AB2C22D24 53.96 4.0 -9.47 -0.78 0
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386635 134982411 1 NOC25H27 ABC25D27 33.06 1.1 -9.05 -0.01 0
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386637 134982415 1 FeNO4C21H21 ABC4D21E21 -56.93 5.95 -7.35 -0.13 0
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386638 134982416 1 FeO5C13H14 AB5C13D14 16.34 1.45 -8.39 -0.08 -1
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386639 134982418 1 FePO5H29C33 ABC5D29E33 18.04 2.96 -7.69 -0.03 0
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386640 134982419 1 C13H15 A13B15 43.91 0.66 0.0 0.0 0
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386641 134982420 1 BrC11H17 AB11C17 -8.1 1.53 -9.75 0.03 0
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386642 134982421 1 O5C34H36 A5B34C36 -90.81 5.54 -8.58 0.08 0
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386643 134982422 1 OC15H18 AB15C18 -0.92 4.7 -9.38 -0.63 0
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386644 134982425 1 NOC26H29 ABC26D29 29.72 1.41 -9.0 0.09 0
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386646 134982430 2 H10C11 A10B11 71.54 1.2 -8.57 -0.27 0
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386647 134982431 1 OC13H22 AB13C22 -22.8 2.19 -9.64 1.12 0
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386648 134982432 1 NC18H25 AB18C25 45.39 1.2 -8.48 0.33 0
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386649 134982433 1 SC12H12 AB12C12 76.92 1.86 -8.64 -0.28 0
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386651 134982437 1 NC11H19 AB11C19 8.81 1.37 -8.55 1.39 0
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386652 134982440 8 OC2H2 AB2C2 -272.49 0.71 -10.33 -1.39 0
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386653 134982441 8 OC2H2 AB2C2 -273.03 0.92 -10.22 -1.53 0
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386654 134982442 2 OH13C14 AB13C14 63.44 6.09 -8.81 -0.88 0