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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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8235 75603 1 ClFS2H4O4C6 ABC2D4E4F6 -185.09 5.61 -11.57 -1.96 0
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8236 75606 1 NC3O3H5 AB3C3D5 -125.54 5.76 -10.54 -0.08 0
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8237 75607 2 OH6C7 AB6C7 -36.47 2.35 -9.44 -0.59 0
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8238 75608 1 OCl2N2H8C14 AB2C2D8E14 44.32 2.89 -9.44 -1.54 0
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8239 75610 2 N2O3C4H4 A2B3C4D4 17.88 6.44 -10.1 -2.07 0
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8240 75611 1 INO2C8H18 ABC2D8E18 -96.34 12.69 -7.28 -0.32 0
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8241 75612 1 NO2C8H18 AB2C8D18 -77.09 2.72 0.0 0.0 1
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8242 75613 1 SCl2H4O4C7 AB2C4D4E7 -142.64 6.81 -10.94 -2.04 0
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8243 75621 2 H7C8 A7B8 35.67 1.47 -8.52 -0.38 0
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8244 75622 2 O4C14H25 A4B14C25 -326.04 2.93 -8.62 0.37 0
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8245 75624 1 N2O2C15H20 A2B2C15D20 -83.67 2.96 -8.06 -0.16 0
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8246 75632 1 ClH9C11 AB9C11 25.49 2.08 -9.01 -0.63 0
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8247 75633 1 ClNO2C5H8 ABC2D5E8 -97.45 4.18 -10.04 0.35 0
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8248 75634 1 NOC5H13 ABC5D13 -63.38 1.02 -9.41 2.57 0
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8249 75636 1 NO3C6H7 AB3C6D7 -81.25 3.69 -10.87 -0.82 0
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8250 75650 2 H6C7 A6B7 38.07 0.48 -8.64 -0.25 0
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8251 75661 1 NPO4C5H12 ABC4D5E12 -239.64 4.72 -10.19 0.68 0
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8252 75676 1 NPO3C6H12 ABC3D6E12 -175.15 1.02 -11.01 0.58 0
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8253 75688 1 PO3C27H57 AB3C27D57 -284.77 0.81 -9.17 1.26 0
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8254 75707 1 O2N3C7H9 A2B3C7D9 23.02 8.99 -9.2 -1.08 0
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8255 75708 1 O4H8C11 A4B8C11 -120.81 6.45 -10.07 -1.06 0
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8256 75730 1 OH14C15 AB14C15 -0.3 4.51 -9.38 -0.57 0
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8258 75737 1 NO2C10H13 AB2C10D13 -67.92 2.14 -9.47 0.19 0
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8259 75738 1 ClH2N3O4C5 AB2C3D4E5 27.3 2.25 -11.42 -2.69 0
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8260 75740 1 OH6C9 AB6C9 52.64 4.2 -9.78 -0.89 0
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8261 75741 1 O2N3C5H11 A2B3C5D11 -84.34 2.59 -9.94 0.88 0
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8262 75742 1 O3C4N4H10 A3B4C4D10 -86.19 0.97 -10.34 0.15 0
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8263 75748 2 O2C3H4 A2B3C4 -161.87 5.18 -11.3 -0.4 0
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8264 75769 1 NPSO2Cl3C7H7 ABCD2E3F7G7 -149.67 4.73 -9.35 -0.88 0
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8265 75811 2 C2O2H5 A2B2C5 -60.89 2.9 -10.09 -0.08 0
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8266 75836 1 O2C13H26 A2B13C26 -148.58 2.17 -10.76 0.84 0
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8267 75841 1 OCl2H6C8 AB2C6D8 -32.99 3.91 -9.82 -1.16 0
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8268 75847 2 NOC12H15 ABC12D15 -54.22 3.06 -7.84 -1.25 0
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8269 75877 1 NH3Cl4C7 AB3C4D7 16.8 1.26 -9.58 -1.01 0
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8270 75895 1 OH3C4N5 AB3C4D5 80.81 6.59 -10.1 -2.08 0
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8271 75896 1 NSC4O4H9 ABC4D4E9 -168.81 4.63 -9.49 -0.2 0
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8272 75902 1 HNOCl2F2C5 ABCD2E2F5 -111.97 5.76 -9.56 -1.14 0
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8273 75922 1 HSO3C5F11 ABC3D5E11 -664.13 1.91 -12.62 -1.56 0
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8274 75923 2 IF2C3 AB2C3 -114.37 1.42 -9.87 -1.99 0
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8275 75927 1 OF2H4C6 AB2C4D6 -112.82 2.04 -9.49 -0.56 0
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8276 75928 1 OF2H4C6 AB2C4D6 -118.86 1.99 -9.85 -0.43 0
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8277 75929 1 N5C9H13 A5B9C13 49.09 2.7 -8.92 -0.35 0
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8278 75930 2 NC12H14 AB12C14 39.87 2.89 -8.24 0.5 0
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8279 75932 2 NC13H16 AB13C16 41.7 2.37 -8.08 0.58 0
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8280 75960 1 NO2C9H11 AB2C9D11 -67.77 1.04 -9.92 -0.16 0
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8281 75969 2 O4H7C9 A4B7C9 -271.38 11.53 -10.61 -1.36 0
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8282 75970 1 NO3C8H15 AB3C8D15 -155.72 4.86 -10.07 0.5 0
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8283 75986 1 NO2C6H13 AB2C6D13 -50.04 4.07 -9.18 0.89 0
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8284 76005 1 OC10H22 AB10C22 -94.06 1.8 -10.29 2.73 0
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8285 76018 1 OCl2H2N2C4 AB2C2D2E4 -0.87 4.76 -9.78 -1.08 0
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8286 76019 1 PN4O4C10H29 AB4C4D10E29 -263.52 2.91 -8.99 0.57 0
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8287 76023 1 SO2C10H20 AB2C10D20 -128.39 2.52 -9.22 -0.09 0
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8288 76024 1 NOC11H15 ABC11D15 -35.78 4.04 -9.76 -0.21 0
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8289 76025 1 P2O4S4C11H18 A2B4C4D11E18 -300.67 1.08 -9.31 -0.92 0
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8290 76026 1 O2N3H11C12 A2B3C11D12 69.31 4.18 -9.3 -1.59 0
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8291 76029 1 NC3O3H7 AB3C3D7 -105.54 5.5 -10.28 0.24 0
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8292 76031 1 NOSH7C8 ABCD7E8 -14.85 4.15 -8.94 -0.5 0
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8293 76032 2 NSH7C8 ABC7D8 81.93 0.16 -7.03 -0.22 0
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8294 76048 2 NOH4C5 ABC4D5 40.35 7.82 -9.9 -1.36 0
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8295 76051 1 HNCl4C5 ABC4D5 12.19 1.23 -9.95 -1.4 0
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8296 76073 1 NPS2O4C8H18 ABC2D4E8F18 -227.15 4.81 -9.29 -0.6 0
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8297 76086 1 FOC9H9 ABC9D9 -73.59 2.28 -9.69 -0.24 0
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8298 76089 1 Cl2F2H2N2C5 A2B2C2D2E5 -75.46 5.45 -9.66 -1.08 0
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8299 76105 1 SN2C12H14 AB2C12D14 34.34 2.5 -8.55 -0.34 0
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8300 76110 1 O2N6C11H16 A2B6C11D16 74.44 1.55 -8.91 -2.27 0
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8301 76144 1 N2O3C9H10 A2B3C9D10 -40.09 9.69 -9.39 -1.21 0
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8302 76246 1 O4C9H12 A4B9C12 -168.19 1.84 -9.24 -0.4 0
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8303 76248 1 NOC9H15 ABC9D15 -32.41 5.98 -10.1 0.06 0
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8304 76250 1 SN2O2H6C8 AB2C2D6E8 34.26 5.91 -9.71 -1.8 0
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8305 76252 1 NOSC9H9 ABCD9E9 -2.72 0.76 -8.64 -0.61 0
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8306 76254 1 NOSC9H9 ABCD9E9 -1.82 1.26 -8.76 -0.43 0
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8307 76256 1 SN2O2H4C7 AB2C2D4E7 48.25 4.43 -9.81 -1.96 0
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8308 76262 1 SiO3C14H32 AB3C14D32 -280.24 2.78 -9.42 1.01 0
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8309 76263 2 NOH9C13 ABC9D13 37.5 1.23 -7.99 -1.66 0
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8310 76266 2 NOH9C13 ABC9D13 33.83 1.39 -8.44 -1.5 0
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8311 76268 2 NO2H11C14 AB2C11D14 -41.84 3.68 -7.8 -1.47 0
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8312 76269 1 OC9H12 AB9C12 -33.89 0.61 -8.59 0.53 0
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8313 76270 1 ClO3H9C13 AB3C9D13 -79.13 5.77 -9.1 -0.96 0
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8315 76279 1 NC9H9 AB9C9 38.53 4.02 -9.56 0.04 0
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8316 76284 1 NSH3O4 ABC3D4 -135.63 5.28 -11.53 -1.0 0
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8317 76291 2 NOC6H8 ABC6D8 29.52 4.74 -8.61 -1.26 0
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8318 76336 1 SN2H6C7 AB2C6D7 58.47 6.66 -9.02 -0.56 0
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8319 76337 1 NSC7H9 ABC7D9 19.31 2.66 -8.43 0.03 0
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8320 76341 1 SiO3C8H20 AB3C8D20 -240.36 2.67 -9.51 0.88 0
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8321 76353 1 NO6C42H81 AB6C42D81 -433.75 3.43 -8.92 0.7 0
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8322 76358 1 BrNC6H14 ABC6D14 5.87 12.83 -7.88 -0.51 0
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8323 76425 1 PO4C39H81 AB4C39D81 -421.11 2.0 -10.43 0.76 0
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8324 76427 1 ON2H6C8 AB2C6D8 14.01 4.09 -10.52 -1.2 0
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8325 76429 1 ClNSH2C3 ABCD2E3 39.08 2.3 -9.71 -0.9 0
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8326 76432 1 NO2H5C8 AB2C5D8 73.91 5.1 -10.18 -1.51 0
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8327 76437 1 NO2H7C9 AB2C7D9 -5.26 4.43 -9.28 -0.96 0
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8328 76440 2 C8H9 A8B9 22.09 0.81 -8.63 -0.26 0
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8329 76466 1 O8C13H20 A8B13C20 -364.57 4.65 -10.56 0.42 0
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8330 76467 1 INH4C7 ABC4D7 72.47 2.64 -9.83 -1.32 0
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8331 76570 1 SO8H14C15 AB8C14D15 -283.13 10.03 -9.41 -0.63 0
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8332 76572 1 O2H12C13 A2B12C13 -51.24 2.3 -8.73 -0.48 0
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8333 76574 2 NH5C9 AB5C9 117.32 2.39 -9.1 -1.75 0
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8335 76587 1 N2O3H14C23 A2B3C14D23 -8.25 4.27 -8.58 -2.05 0
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8336 76598 1 INO2H6C7 ABC2D6E7 26.45 5.44 -10.16 -1.94 0
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8337 76605 1 ON3C16H17 AB3C16D17 45.06 1.46 -8.85 -1.15 0