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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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7319 72148 1 NSC22H23 ABC22D23 51.02 1.1 -8.29 0.01 0
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7320 72151 2 INO2C19H28 ABC2D19E28 -87.79 5.81 -6.34 -3.9 0
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7321 72156 1 ClS2N3O3C11H14 AB2C3D3E11F14 -84.55 2.63 -9.23 -1.04 0
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7322 72157 1 SN2O3C12H14 AB2C3D12E14 -84.45 2.14 -8.65 -0.68 0
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7323 72160 1 NS2C19H24 AB2C19D24 71.22 6.27 0.0 0.0 1
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7324 72163 1 N5O9C51H69 A5B9C51D69 -314.42 6.29 -8.18 -0.17 0
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7325 72164 1 ON3C25H25 AB3C25D25 61.63 5.53 -8.22 -0.37 0
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7326 72168 1 BrClO3N6H20C24 ABC3D6E20F24 45.08 6.64 -9.46 -1.37 0
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7327 72169 1 ClNOC20H32 ABCD20E32 -71.87 11.95 -8.05 0.03 0
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7328 72170 1 ClTl AB -13.28 5.55 -9.76 -1.1 0
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7329 72171 1 OSN3H11C13 ABC3D11E13 57.03 1.42 -8.76 -0.57 0
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7330 72172 2 NO2C8H12 AB2C8D12 -179.72 6.41 -9.64 0.06 0
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7331 72174 1 NSO6C33H45 ABC6D33E45 -272.1 3.38 -8.63 -0.45 0
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7332 72175 1 ClNSO2C20H36 ABCD2E20F36 -145.73 2.08 -8.47 0.17 0
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7333 72176 1 NSO2C20H35 ABC2D20E35 -115.97 4.06 -8.48 0.14 0
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7334 72179 1 NS2O4C22H23 AB2C4D22E23 -127.65 7.21 -9.12 -0.57 0
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7335 72182 1 O2N9C10H13 A2B9C10D13 47.85 3.46 -8.82 -0.55 0
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7336 72184 1 O5N6C17H20 A5B6C17D20 -112.14 6.53 -8.57 -0.52 0
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7337 72189 1 P3N5C10O12H16 A3B5C10D12E16 -650.04 17.24 -9.03 -0.99 0
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7338 72190 1 FO2N5C10H12 AB2C5D10E12 -74.31 1.93 -9.06 -0.5 0
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7339 72191 1 NO3H11C12 AB3C11D12 -64.64 1.94 -9.6 -1.94 0
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7340 72192 1 O2N5C11H13 A2B5C11D13 -3.68 10.95 -9.32 -0.36 0
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7341 72193 1 NNaS2O3C5H16 ABC2D3E5F16 -208.82 1.45 -7.66 0.72 0
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7342 72194 1 ClO2N5C10H12 AB2C5D10E12 -33.14 1.92 -9.18 -0.71 0
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7343 72201 1 ClO2N5C10H10 AB2C5D10E10 -1.84 1.9 -9.21 -0.74 0
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7344 72203 1 N3S3O9H19C20 A3B3C9D19E20 -287.88 6.98 -9.32 -1.58 0
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7345 72204 2 NO9C20H22 AB9C20D22 -729.01 3.28 -9.35 -2.39 0
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7346 72205 1 NS2O8C26H45 AB2C8D26E45 -407.43 7.3 -10.06 -0.48 0
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7347 72210 1 IO3N5H8C9 AB3C5D8E9 77.84 9.73 -9.46 -1.28 0
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7348 72211 1 O3N5C10H13 A3B5C10D13 -63.22 10.18 -9.32 -0.32 0
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7349 72214 1 O3N5C10H13 A3B5C10D13 -52.03 3.95 -9.05 -0.53 0
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7350 72215 1 O4N5C10H13 A4B5C10D13 -90.7 11.75 -9.25 -0.28 0
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7351 72225 1 NO12C41H53 AB12C41D53 -483.37 8.91 -9.71 -2.17 0
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7352 72231 1 SN4O6C10H12 AB4C6D10E12 -215.78 9.15 -9.18 -0.96 0
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7353 72233 2 BrNaN2S2H6O7C11 ABC2D2E6F7G11 -490.46 13.56 -8.79 -2.65 0
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7354 72237 1 Na2S2N3O7H11C19 A2B2C3D7E11F19 -225.61 13.47 -8.54 -1.26 0
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7355 72239 2 N2S2O7H8C11 A2B2C7D8E11 -389.6 11.22 -9.43 -2.84 0
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7356 72242 1 PN2O6C28H60 AB2C6D28E60 -401.82 7.19 0.0 0.0 1
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7357 72243 1 O7H16C18 A7B16C18 -262.34 7.99 -9.49 -1.15 0
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7358 72244 1 ClON2H11C17 ABC2D11E17 57.13 4.64 -8.92 -1.12 0
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7359 72255 1 O2N5C9H11 A2B5C9D11 -3.06 9.71 -9.36 -0.59 0
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7360 72264 1 F2N3O3C9H11 A2B3C3D9E11 -202.34 7.83 -10.09 -0.87 0
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7361 72266 1 O4N5C12H17 A4B5C12D17 -104.92 2.23 -8.53 -0.33 0
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7362 72270 1 SO3N5C10H13 AB3C5D10E13 -36.88 4.95 -9.57 -1.16 0
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7363 72272 1 N3O4C11H13 A3B4C11D13 -124.47 3.74 -10.06 -0.87 0
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7364 72273 1 N3O4C10H11 A3B4C10D11 -114.88 1.84 -10.27 -0.8 0
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7365 72274 1 O4N5C10H13 A4B5C10D13 -95.77 4.42 -9.75 -0.62 0
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7366 72277 1 O7H14C15 A7B14C15 -262.79 2.31 -8.92 -0.33 0
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7367 72278 2 NNaSH4O5C7 ABCD4E5F7 -434.03 0.58 -8.08 -1.72 0
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7368 72281 2 O3H7C8 A3B7C8 -213.65 4.7 -8.95 -0.62 0
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7369 72282 3 O2H4C5 A2B4C5 -200.03 5.07 -9.01 -0.88 0
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7370 72283 1 FN2O4C10H11 AB2C4D10E11 -191.83 6.11 -9.74 -0.71 0
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7371 72284 1 O27H32C41 A27B32C41 -975.04 12.12 -9.17 -1.92 0
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7372 72285 1 O27H30C41 A27B30C41 -937.34 7.78 -9.14 -1.68 0
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7374 72292 1 O8C37H58 A8B37C58 -370.71 9.65 -9.1 -1.13 0
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7375 72294 2 O4C17H18 A4B17C18 -261.21 8.37 -9.47 -0.83 0
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7376 72298 1 PN6O9C33H59 AB6C9D33E59 -471.51 4.5 -9.64 -0.94 0
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7377 72300 2 OC9H9 AB9C9 -21.9 3.22 -8.51 -0.3 0
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7378 72305 1 N4O5C11H14 A4B5C11D14 -161.66 10.62 -8.87 0.0 0
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7379 72311 1 ClNO4H18C21 ABC4D18E21 -82.15 2.26 -8.04 -0.79 0
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7380 72312 1 N2O3C16H18 A2B3C16D18 -81.38 6.22 -9.49 0.05 0
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7381 72316 1 N2O3C22H26 A2B3C22D26 -55.52 3.23 -8.07 0.25 0
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7382 72318 1 N2O2C19H21 A2B2C19D21 -26.08 5.37 0.0 0.0 1
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7383 72329 1 NO4H19C20 AB4C19D20 -99.14 3.86 -8.17 -0.86 0
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7384 72330 1 NO4H17C20 AB4C17D20 -58.18 12.32 -7.28 -1.78 0
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7385 72334 1 O6H14C17 A6B14C17 -189.59 5.62 -9.08 -1.09 0
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7386 72348 1 NO3C16H31 AB3C16D31 -196.9 6.35 -10.35 0.25 0
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7387 72349 1 ClSF3O3N4H22C27 ABC3D3E4F22G27 -179.2 1.15 -9.14 -1.43 0
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7388 72350 1 INO4H18C20 ABC4D18E20 -56.5 6.47 -7.24 -1.03 0
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7389 72351 1 NO5C22H23 AB5C22D23 -126.08 7.74 -8.53 -0.8 0
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7390 72352 1 N2O2C17H18 A2B2C17D18 -40.45 4.94 -8.85 -0.41 0
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7391 72356 1 INO2H6C9 ABC2D6E9 -21.5 5.69 -8.78 -1.36 0
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7392 72357 2 O3N4C22H29 A3B4C22D29 -187.44 7.01 -9.45 -0.35 0
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7393 72366 1 N2S2O3C18H24 A2B2C3D18E24 -101.78 7.52 -9.16 -0.82 0
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7394 72371 1 SN2O4C10H14 AB2C4D10E14 -180.75 4.7 -9.24 -0.75 0
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7395 72376 1 NO7H13C14 AB7C13D14 -240.0 4.06 -9.18 -1.29 0
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7396 72408 1 BrSN3O3C8H10 ABC3D3E8F10 -100.97 4.06 -9.63 -0.86 0
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7397 72425 1 O2N3C28H41 A2B3C28D41 -81.06 6.68 -8.29 -0.03 0
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7398 72432 1 SO10C12H22 AB10C12D22 -457.2 2.41 -9.08 -0.08 0
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7399 72435 2 O4C11H11 A4B11C11 -256.34 2.63 -8.64 -0.32 0
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7400 72440 1 O5N8C20H22 A5B8C20D22 -112.54 11.1 -8.9 -1.25 0
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7401 72441 1 O2N7C15H15 A2B7C15D15 23.62 10.27 -8.93 -1.17 0
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7402 72445 1 N2S2O6C11H14 A2B2C6D11E14 -221.57 5.21 -9.25 -1.47 0
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7403 72461 1 N2O14C35H36 A2B14C35D36 -546.06 4.07 -9.3 -2.36 0
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7404 72463 1 S4O8N10C17H20 A4B8C10D17E20 -123.48 6.42 -9.27 -1.27 0
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7405 72465 1 O17C47H66 A17B47C66 -714.59 3.24 -9.25 -0.84 0
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7406 72466 1 S4N17O25C55H85 A4B17C25D55E85 -916.28 13.92 -8.62 -1.8 0
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7407 72467 1 S3N17O21C55H84 A3B17C21D55E84 -836.38 13.34 0.0 0.0 1
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7408 72468 1 O2N6C17H20 A2B6C17D20 4.93 3.24 -8.38 -0.67 0
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7410 72474 1 FN3O3C19H22 AB3C3D19E22 -127.7 10.96 -8.99 -0.91 0
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7411 72477 1 O6N7C20H23 A6B7C20D23 -161.72 5.54 -9.08 -0.65 0
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7412 72479 5 NO2C4H5 AB2C4D5 -393.88 7.43 -9.85 -0.85 0
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7413 72480 1 O17C47H64 A17B47C64 -687.38 3.52 -9.31 -0.94 0
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7414 72481 1 N7O16C52H81 A7B16C52D81 -709.07 10.98 -9.03 -1.51 0
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7415 72484 2 N2O6C23H31 A2B6C23D31 -441.85 7.48 -7.68 -1.62 0
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7416 72491 2 OC2N2H5 AB2C2D5 -62.06 3.07 -9.74 0.31 0
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7417 72493 1 NO12C35H61 AB12C35D61 -548.3 6.02 -8.78 0.3 0
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7418 72496 1 N3O6C12H13 A3B6C12D13 -183.37 3.86 -10.3 -1.13 0
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7419 72498 1 OS4N5H17C22 AB4C5D17E22 124.9 2.19 -8.85 -1.33 0
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7420 72500 1 O8C21H24 A8B21C24 -296.36 4.86 -9.49 -1.97 0