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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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24374 609772 1 ON2S3C5H6 AB2C3D5E6 66.87 2.05 -8.71 -1.72 0
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24375 609773 1 O3C12H14 A3B12C14 -120.18 6.4 -9.72 -0.27 0
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24376 609776 2 H7C8 A7B8 75.3 0.13 -9.37 0.12 0
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24377 609779 1 SO2H10C11 AB2C10D11 -42.07 5.8 -9.08 -0.8 0
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24378 609790 2 BO4C10H11 AB4C10D11 -319.3 5.49 -9.29 -0.56 0
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24379 609792 1 NO4C15H21 AB4C15D21 -173.91 3.05 -9.48 0.04 0
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24380 609794 1 OC14H22 AB14C22 -67.13 3.56 -9.24 0.82 0
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24381 609798 1 OC14H22 AB14C22 -79.55 3.58 -9.37 0.94 0
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24382 609799 1 NC15H27 AB15C27 19.62 1.3 -8.46 1.8 0
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24383 609800 2 N2H3C6 A2B3C6 160.07 3.84 -10.46 -2.65 0
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24384 609808 1 SO2H10C11 AB2C10D11 -30.61 6.64 -9.86 -0.89 0
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24385 609812 2 SO2C3H3 AB2C3D3 -136.51 5.07 -9.98 -1.68 0
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24386 609814 1 N2O3C10H10 A2B3C10D10 -66.26 7.16 -9.38 -1.0 0
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24387 609819 1 O4H10C11 A4B10C11 -131.65 3.04 -9.27 -1.09 0
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24388 609820 1 SN2O2C10H10 AB2C2D10E10 15.31 2.44 -8.56 -0.61 0
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24389 609837 1 NO5C19H21 AB5C19D21 -161.34 6.05 -8.59 -0.19 0
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24390 609839 1 O4H10C11 A4B10C11 -112.6 7.09 -8.57 -0.98 0
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24391 609845 1 NO4C14H19 AB4C14D19 -148.21 1.55 -8.28 0.16 0
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24392 609846 1 NOC14H23 ABC14D23 -24.27 1.97 -8.72 1.3 0
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24393 609847 1 SN2O5C14H16 AB2C5D14E16 -175.25 2.57 -9.05 -0.39 0
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24394 609851 1 Cl3H5C8 A3B5C8 10.33 1.36 -9.53 -0.83 0
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24395 609852 1 O4H10C11 A4B10C11 -105.74 2.83 -9.03 -0.7 0
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24396 609858 1 SN2O2C16H24 AB2C2D16E24 -107.23 3.9 -8.95 -0.4 0
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24397 609860 1 O4H10C11 A4B10C11 -128.34 7.41 -9.35 -0.8 0
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24398 609863 1 NO2H17C22 AB2C17D22 5.62 1.45 -8.99 -1.7 0
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24399 609870 1 ClNO2H12C20 ABC2D12E20 14.67 1.53 -9.26 -1.85 0
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24400 609871 1 SN2O3H14C21 AB2C3D14E21 -12.09 6.81 -8.84 -1.35 0
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24401 609894 1 NH15C16 AB15C16 52.9 1.36 -8.68 -1.13 0
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24402 609907 1 N2O2C11H14 A2B2C11D14 -39.19 2.05 -8.71 -0.51 0
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24403 609970 1 NOH19C23 ABC19D23 68.52 4.96 -8.93 -0.72 0
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24404 609971 1 MnO3C18H25 AB3C18D25 -45.37 2.49 -7.36 -0.34 -5
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24405 609977 1 NO2H15C17 AB2C15D17 -35.22 3.34 -8.68 -0.4 0
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24406 609981 1 N2C19H22 A2B19C22 59.79 1.83 -7.6 0.07 0
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24407 609983 1 NO2C18H21 AB2C18D21 -29.26 2.72 -8.11 0.31 0
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24408 609985 1 ClNC18H18 ABC18D18 32.4 4.0 -8.26 0.01 0
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24409 609987 1 NO3C18H21 AB3C18D21 -81.22 4.42 -8.06 0.02 0
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24410 609989 1 OSN2C18H18 ABC2D18E18 -5.31 1.45 -8.64 -0.88 0
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24411 609991 1 NO4H17C18 AB4C17D18 -96.8 1.58 -8.69 -0.7 0
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24412 609992 1 NF2O2C18H19 AB2C2D18E19 -131.59 3.71 -8.4 -0.16 0
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24413 609993 1 NC24H29 AB24C29 36.48 2.66 -8.21 0.0 0
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24414 609994 1 FON3H14C20 ABC3D14E20 60.89 7.47 -8.93 -1.38 0
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24415 609995 1 FN2O2C20H21 AB2C2D20E21 -75.2 1.98 -8.73 -0.69 0
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24416 610000 1 OC30H52 AB30C52 -138.68 3.47 -9.36 1.01 0
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24417 610017 1 NO5C16H23 AB5C16D23 -200.62 5.88 -9.06 -0.32 0
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24418 610018 1 O3N4C17H18 A3B4C17D18 -50.45 4.17 -8.97 -0.66 0
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24419 610024 1 NO3C11H13 AB3C11D13 -82.6 1.71 -9.13 -1.65 0
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24420 610046 1 SO2N5C11H13 AB2C5D11E13 -17.0 3.38 -9.31 -1.09 0
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24421 610062 2 NO2H7C8 AB2C7D8 -2.84 4.56 -9.42 -1.51 0
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24422 610063 1 NO2C12H17 AB2C12D17 -84.67 1.3 -8.37 -0.21 0
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24423 610064 1 S4C5F6H6 A4B5C6D6 -322.77 1.07 -9.69 -2.15 0
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24424 610123 1 BNSiC10H22 ABCD10E22 -86.3 0.9 -8.77 0.59 -2
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24425 610129 4 C5H6 A5B6 9.77 0.72 -8.96 0.42 0
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24426 610172 1 ClNOBr2H8C9 ABCD2E8F9 -33.13 1.75 -9.28 -0.8 0
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24427 610221 1 OSN5C9H9 ABC5D9E9 55.44 2.87 -8.83 -0.66 0
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24428 610223 1 OC21H24 AB21C24 22.96 1.66 -8.39 -0.2 0
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24429 610226 1 OSiC19H22 ABC19D22 9.96 1.01 -9.03 0.07 0
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24430 610230 2 O3C10H14 A3B10C14 -263.95 2.56 -10.7 -1.43 0
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24431 610231 1 O6C23H34 A6B23C34 -276.16 2.55 -10.59 -1.41 0
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24432 610235 1 N3H13C16 A3B13C16 100.5 3.95 -8.94 -0.63 0
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24433 610254 1 N2O2H16C17 A2B2C16D17 -22.09 6.43 -8.44 -1.15 0
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24434 610269 1 OC30H52 AB30C52 -143.97 1.81 -9.7 2.86 0
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24435 610278 1 O5C13H14 A5B13C14 -205.59 4.35 -9.73 -0.21 0
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24436 610280 2 N2O2C5H5 A2B2C5D5 -4.52 7.38 -10.01 -1.72 0
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24437 610286 1 SO2N7C15H17 AB2C7D15E17 100.05 9.04 -9.73 -1.59 0
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24438 610294 1 N3O7F9H10C15 A3B7C9D10E15 -711.68 0.69 -10.33 -1.63 0
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24439 610295 1 NOC23H27 ABC23D27 13.23 3.85 -9.41 0.07 0
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24440 610298 1 ClSN2O2F3H12C18 ABC2D2E3F12G18 -119.84 1.78 -9.33 -1.15 0
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24441 610339 1 O2N4C9H12 A2B4C9D12 -36.94 7.07 -9.38 -0.3 0
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24442 610342 1 OSN4C8H8 ABC4D8E8 28.49 2.35 -9.02 -0.53 0
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24443 610343 1 O4C11H12 A4B11C12 -157.3 5.37 -10.25 -0.68 0
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24444 610344 1 SN4C9H12 AB4C9D12 67.86 3.45 -8.8 -0.72 0
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24445 610349 1 N2O3C21H24 A2B3C21D24 -80.27 2.35 -9.63 -0.86 0
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24446 610357 1 NO5C18H21 AB5C18D21 -142.86 2.78 -8.48 -0.32 0
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24447 610358 1 ClNO4C17H18 ABC4D17E18 -124.79 6.12 -8.84 -0.48 0
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24448 610361 1 FNO4C17H18 ABC4D17E18 -153.38 3.7 -8.68 -0.33 0
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24449 610364 1 OH12C15 AB12C15 13.55 1.24 -8.39 -0.45 0
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24450 610365 1 NC15H15 AB15C15 70.39 2.39 -9.31 0.07 0
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24451 610366 1 S2N3C9H9 A2B3C9D9 71.69 5.1 -8.62 -1.06 0
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24452 610367 1 NOC14H25 ABC14D25 -66.87 1.52 -8.66 1.03 0
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24453 610370 1 OC20H20 AB20C20 31.24 3.21 -9.29 0.18 0
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24454 610371 1 ClFN2H6C10 ABC2D6E10 14.72 2.07 -10.06 -1.35 0
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24455 610373 1 O3C12H16 A3B12C16 -92.2 4.34 -8.34 -0.05 0
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24456 610376 1 S2N4C9H12 A2B4C9D12 67.67 4.28 -8.69 -1.23 0
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24457 610379 16 CH AB 34.37 0.7 -8.71 -0.36 0
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24458 610382 1 ON2S2H4C8 AB2C2D4E8 56.22 1.44 -9.68 -2.45 0
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24459 610395 1 N2S2O5H12C17 A2B2C5D12E17 -90.08 4.85 -9.21 -1.13 0
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24460 610397 1 NO4C14H21 AB4C14D21 -156.58 5.89 -8.41 0.36 0
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24461 610406 1 NC15H15 AB15C15 55.92 2.33 -9.21 0.01 0
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24462 610407 1 N3H13C14 A3B13C14 86.67 2.75 -8.08 -0.76 0
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24463 610410 2 NH6C7 AB6C7 65.31 3.14 -8.31 -0.63 0
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24464 610412 2 NH6C7 AB6C7 74.78 2.45 -8.52 -0.37 0
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24465 610430 1 BN3C12H12 AB3C12D12 31.85 0.01 -9.29 -0.77 0
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24466 610432 1 ON4C15H16 AB4C15D16 22.75 4.63 -8.56 -0.3 0
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24467 610434 1 NOC25H33 ABC25D33 -48.6 4.47 -8.49 -0.66 0
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24468 610435 1 ON2Cl3H7C12 AB2C3D7E12 0.51 4.14 -9.1 -1.64 0
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24469 610436 1 BrN2H5C8 AB2C5D8 74.18 3.89 -10.01 -1.52 0
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24470 610438 1 ClNC13H18 ABC13D18 -4.99 3.11 -8.73 0.02 0
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24471 610450 1 NOH13C15 ABC13D15 -1.86 5.49 -8.52 -0.63 0
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24472 610461 1 ON2H12C15 AB2C12D15 27.06 2.8 -8.77 -1.09 0
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24473 610463 1 NOH15C16 ABC15D16 -7.22 5.58 -8.52 -0.63 0