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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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387386 134985195 1 NO6C39H45 AB6C39D45 -174.81 5.01 -9.22 0.01 0
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387387 134985196 1 NO6C39H45 AB6C39D45 -176.82 3.69 -9.24 0.04 0
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387388 134985199 1 N4O4C15H16 A4B4C15D16 -1.05 5.16 -9.57 -1.55 0
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387389 134985203 1 ClSO2N4C14H21 ABC2D4E14F21 -22.17 2.2 -9.81 -1.11 0
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387390 134985205 1 SN3O7C20H21 AB3C7D20E21 -163.14 1.45 -9.36 -0.62 0
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387391 134985208 2 NC9H14 AB9C14 -11.67 0.12 -8.52 0.57 0
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387392 134985209 2 NOC4H7 ABC4D7 -39.55 3.13 -9.51 0.3 0
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387393 134985214 1 O3N5C12H17 A3B5C12D17 7.64 5.73 -8.09 -0.87 0
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387395 134985223 1 N5C10O12H15 A5B10C12D15 -170.51 4.14 -11.19 -2.57 0
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387396 134985229 2 N2O2C5H7 A2B2C5D7 -64.84 4.16 -8.56 -0.53 0
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387399 134985233 2 NC6H7 AB6C7 64.43 4.86 -9.47 0.2 0
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387400 134985234 1 ClNOC19H28 ABCD19E28 -47.1 2.6 -8.8 0.38 0
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387401 134985240 1 SN2O2C18H20 AB2C2D18E20 16.63 3.42 -9.09 -0.27 0
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387402 134985241 1 NO2Cl4H17C19 AB2C4D17E19 -55.87 1.96 -9.7 -0.61 0
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387403 134985250 1 NOSC15H21 ABCD15E21 -7.99 0.68 -9.33 -0.11 0
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387404 134985252 1 NSO3C18H21 ABC3D18E21 -86.23 8.35 -9.65 -0.75 0
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387405 134985254 1 NSCl3O4C10H16 ABC3D4E10F16 -201.13 4.53 -9.88 -0.86 0
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387406 134985257 1 NO2C19H23 AB2C19D23 -40.99 3.09 -9.09 -0.66 0
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387407 134985261 1 O2C5N5H7 A2B5C5D7 42.5 2.54 -9.77 -1.38 0
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387408 134985271 1 ClNO4C27H28 ABC4D27E28 -51.58 7.25 -9.46 -0.4 0
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387409 134985282 1 ClNOC6H12 ABCD6E12 -20.32 2.93 -9.49 -1.2 0
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387410 134985284 1 FeNPO2C28H29 ABCD2E28F29 124.86 7.26 0.0 0.0 0
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387411 134985285 1 NO4C16H27 AB4C16D27 -128.7 3.06 -9.91 -0.46 0
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387412 134985286 1 NO2C12H25 AB2C12D25 -73.17 4.62 -10.98 -0.41 0
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387413 134985289 1 NO5C11H21 AB5C11D21 -158.12 6.51 -9.96 -0.69 0
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387414 134985290 1 N3O4H19C21 A3B4C19D21 -25.43 2.54 -8.6 -0.43 0
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387415 134985291 1 BrNC5O5H8 ABC5D5E8 -145.86 2.7 -11.34 -1.97 0
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387416 134985292 1 FNC3Cl3H3O3 ABC3D3E3F3 -120.59 3.77 -11.26 -1.41 0
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387417 134985297 1 SN2O2C12H16 AB2C2D12E16 -31.12 5.29 -9.42 -0.11 0
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387418 134985302 1 N2O8C25H30 A2B8C25D30 -290.89 1.27 -9.76 -0.69 0
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387419 134985307 1 FeNPO4C11H13 ABCD4E11F13 -83.21 1.6 0.0 0.0 0
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387420 134985308 1 FeNPC7H13 ABCD7E13 70.08 2.77 0.0 0.0 0
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387421 134985309 1 OsP2C27H45 AB2C27D45 -24.96 4.41 0.0 0.0 0
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387423 134985317 1 BPC12H19 ABC12D19 41.24 1.73 0.0 0.0 0
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387424 134985319 1 PN2C7H17 AB2C7D17 -27.23 2.01 -7.72 2.0 0
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387425 134985325 1 FN4O4C11H13 AB4C4D11E13 -77.52 2.4 -9.74 -1.76 0
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387426 134985326 1 N3C12H17 A3B12C17 56.39 3.9 -8.16 0.02 1
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387427 134985339 1 NPO9C32H35 ABC9D32E35 -336.18 10.88 0.0 0.0 0
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387428 134985344 1 Br2N2O2H10C13 A2B2C2D10E13 51.02 3.19 -9.9 -1.07 0
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387429 134985348 1 BrN2O2C10H13 AB2C2D10E13 19.57 1.36 -9.81 -1.0 0
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387430 134985351 1 N2O2H12C13 A2B2C12D13 46.28 5.05 -9.83 -0.64 0
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387431 134985352 1 N5C9O12H13 A5B9C12D13 -155.59 6.32 -11.16 -2.41 0
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387432 134985353 2 N2C6O6H9 A2B6C6D9 -283.67 3.84 -11.06 -1.61 0
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387433 134985355 2 BrPC9H12 ABC9D12 -35.99 2.36 -7.9 -0.55 0
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387434 134985356 2 PF3C12H13 AB3C12D13 -429.08 22.72 -8.87 -1.48 0
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387435 134985358 1 P2F6H26C27 A2B6C26D27 -398.95 24.11 -8.72 -1.42 1
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387436 134985361 1 PH26C27 AB26C27 82.17 13.56 0.0 0.0 0
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387437 134985364 1 BrNPC21H23 ABCD21E23 47.25 5.74 -8.47 -0.18 0
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387438 134985384 2 PF3C12H13 AB3C12D13 -434.12 17.63 -9.87 -0.9 0
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387439 134985388 1 ClNOC10H20 ABCD10E20 -69.84 4.34 -8.74 1.02 0
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387440 134985389 1 SO2N4C14H20 AB2C4D14E20 -12.18 6.76 -9.6 -0.62 0
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387441 134985393 1 NOSH17C19 ABCD17E19 63.82 3.67 -8.59 -0.43 0
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387442 134985399 1 NSO4C15H23 ABC4D15E23 -189.93 5.88 -9.91 -0.25 0
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387443 134985403 1 NOSC14H19 ABCD14E19 22.82 2.96 -8.3 0.33 0
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387444 134985404 1 SN2O2C13H18 AB2C2D13E18 -17.18 5.83 -9.49 -0.09 0
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387445 134985405 1 NO5C13H17 AB5C13D17 -121.55 3.59 -9.0 -0.7 0
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387446 134985406 1 CoN2O2C10H13 AB2C2D10E13 85.56 13.32 -10.83 -6.3 0
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387447 134985407 1 N2O2C5H8 A2B2C5D8 34.46 3.94 -9.21 -0.96 0
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387448 134985411 1 N2O3C22H26 A2B3C22D26 -20.44 3.51 -8.78 -0.56 0
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387449 134985414 1 N3O6H17C19 A3B6C17D19 -11.52 4.02 -10.07 -1.33 0
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387451 134985431 1 NO4C9H15 AB4C9D15 -118.83 3.77 -10.6 -0.62 0
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387452 134985436 1 NO5C18H23 AB5C18D23 -144.28 4.42 -9.79 -0.37 0
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387453 134985438 1 SCl2N2F3H7C13 AB2C2D3E7F13 -76.09 3.2 -8.85 -1.83 0
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387454 134985439 2 NC7H14 AB7C14 -26.32 1.86 -8.63 2.4 0
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387455 134985443 1 N3F6H15C16 A3B6C15D16 -227.62 4.44 -9.7 -0.65 0
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387456 134985446 1 NO3C21H25 AB3C21D25 -78.31 2.16 -9.23 0.18 0
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387457 134985447 1 NO4C19H23 AB4C19D23 -36.03 2.26 -8.42 -0.06 0
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387458 134985463 1 O2N4C15H22 A2B4C15D22 -31.09 3.53 -8.45 0.3 0
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387459 134985464 1 ClN3C16H18 AB3C16D18 77.39 1.52 -8.49 -0.65 0
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387460 134985466 1 ClO4N6C15H17 AB4C6D15E17 -24.17 5.96 -9.56 -1.62 0
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387461 134985468 1 N2O3C12H16 A2B3C12D16 -59.32 2.18 -9.22 -0.16 0
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387462 134985469 1 WN2O5C9H10 AB2C5D9E10 100.96 8.42 -7.57 0.16 0
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387463 134985470 2 COH2N2 ABC2D2 -30.94 0.03 -9.95 -1.22 0
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387464 134985475 1 C3O4N6H8 A3B4C6D8 13.56 3.11 -10.35 -1.37 0
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387465 134985476 1 NPC20H28 ABC20D28 -11.24 6.27 -7.04 0.28 0
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387466 134985480 1 ClOPSiC24H28 ABCDE24F28 -45.88 5.59 -8.79 -0.1 1
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387467 134985488 1 PC23H24 AB23C24 52.36 8.02 0.0 0.0 0
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387468 134985492 1 BrNPC28H29 ABCD28E29 64.04 5.3 -8.5 -0.25 0
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387469 134985493 1 ClNOC16H24 ABCD16E24 -42.28 3.45 -8.76 0.11 0
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387470 134985499 1 SN2O2C15H22 AB2C2D15E22 -31.33 3.97 -9.04 -0.1 0
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387471 134985501 1 BrClNPO3C19H22 ABCDE3F19G22 -124.47 4.3 -9.11 -0.35 0
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387472 134985502 1 ClNPO4C19H23 ABCD4E19F23 -156.25 2.91 -8.78 0.08 0
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387473 134985505 2 NO3C13H15 AB3C13D15 -188.02 4.22 -9.05 -0.26 0
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387474 134985507 1 NSCl3O6C9H14 ABC3D6E9F14 -275.08 3.02 -10.6 -1.11 0
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387475 134985513 2 NO6C7H13 AB6C7D13 -406.92 7.72 -9.35 -1.65 0
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387476 134985517 1 NO3C11H11 AB3C11D11 -30.09 6.32 -9.23 -0.9 0
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387477 134985518 1 N2O5C6H10 A2B5C6D10 -76.06 3.45 -10.22 -1.65 0
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387478 134985525 1 SN2O4C15H20 AB2C4D15E20 -61.38 6.03 -10.46 -0.84 0
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387479 134985527 1 N4O8C17H32 A4B8C17D32 -104.0 8.57 -10.53 -1.52 0
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387480 134985529 1 PN2O8C11H15 AB2C8D11E15 -200.52 3.97 -10.02 -1.4 0
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387481 134985530 1 PN2O8C13H19 AB2C8D13E19 -216.78 4.84 -10.01 -1.44 0
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387482 134985532 1 N2F3O5C18H23 A2B3C5D18E23 -305.38 3.14 -9.58 -0.63 0
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387483 134985539 2 NOC4H9 ABC4D9 -82.07 7.18 -9.13 0.6 1
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387484 134985540 1 N2O2C8H19 A2B2C8D19 -83.24 5.82 0.0 0.0 0
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387485 134985549 2 N2O2C5H12 A2B2C5D12 -121.39 2.0 -8.66 0.14 0
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387486 134985550 1 N3O3C11H13 A3B3C11D13 -41.99 3.25 -9.84 -0.44 0
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387487 134985552 1 ClN3C15H16 AB3C15D16 81.32 1.53 -8.62 -0.58 0
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387488 134985556 2 ON3C10H11 AB3C10D11 82.21 6.71 -8.72 -0.85 0
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387489 134985559 1 N3O5C14H17 A3B5C14D17 -147.68 1.99 -9.33 -1.28 0
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387490 134985562 2 NOC8H15 ABC8D15 -110.69 2.34 -8.55 0.16 0