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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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12246 133471 2 O3C10H15 A3B10C15 -263.24 5.17 -9.36 -0.71 0
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12247 133472 1 NO7C13H13 AB7C13D13 -287.27 6.04 -9.39 -1.21 0
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12248 133478 2 NH8C10 AB8C10 91.36 2.32 -8.4 -0.42 0
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12249 133488 1 BN3O5C13H20 AB3C5D13E20 -192.11 4.8 -9.44 -1.59 0
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12250 133495 1 OC28H44 AB28C44 -80.39 2.3 -9.15 1.16 0
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12251 133496 1 INPO4C12H19 ABCD4E12F19 -148.0 12.34 -6.76 -1.26 0
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12252 133513 1 SN5O10C28H37 AB5C10D28E37 -405.34 9.79 -9.71 -1.46 0
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12253 133522 1 O4N5C8H11 A4B5C8D11 -122.32 7.62 -9.1 -0.64 0
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12254 133576 1 NSO3C16H23 ABC3D16E23 -139.47 7.25 -9.14 -0.11 0
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12255 133578 1 SN10O12C43H66 AB10C12D43E66 -555.31 13.53 -9.41 -1.17 0
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12256 133614 1 ClSN2O2C9H11 ABC2D2E9F11 -59.81 5.06 -9.38 -0.73 0
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12257 133615 1 ClN3O4C23H34 AB3C4D23E34 -180.04 5.34 -9.67 -0.42 0
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12258 133629 1 BrO2C12H13 AB2C12D13 -62.06 2.79 -9.33 -0.28 0
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12259 133633 1 ClON2C20H21 ABC2D20E21 -0.04 4.79 -8.63 -0.2 0
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12260 133634 1 NCl2C9H17 AB2C9D17 -46.75 2.71 -9.12 0.66 0
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12261 133639 1 SN2O3C10H10 AB2C3D10E10 -101.5 2.99 -9.73 -0.94 0
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12262 133642 1 NO2C20H21 AB2C20D21 -33.1 1.7 -8.64 -0.43 0
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12263 133671 5 OC5H8 AB5C8 -272.65 4.91 -9.86 0.19 0
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12264 133680 2 ON2C7H12 AB2C7D12 -62.06 3.07 -9.18 -0.5 0
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12265 133697 1 O4C27H44 A4B27C44 -224.08 2.17 -9.13 0.53 0
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12266 133830 1 NO2C10H11 AB2C10D11 -43.23 5.1 -9.59 0.12 0
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12267 133841 1 SN4O5C10H18 AB4C5D10E18 -224.29 6.52 -9.35 -0.46 0
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12268 133894 2 O2C11H17 A2B11C17 -166.67 2.46 -9.48 -1.84 0
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12269 133917 1 NPSO7C43H86 ABCD7E43F86 -535.32 13.44 -8.34 -0.33 0
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12270 133923 2 N2O3C12H12 A2B3C12D12 -168.44 8.37 -9.0 -0.9 0
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12271 133927 1 S2N8O9C27H28 A2B8C9D27E28 -271.51 4.26 -9.3 -1.52 0
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12272 133963 1 OCl2N3H17C18 AB2C3D17E18 -0.52 2.21 -9.13 -1.2 0
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12273 133980 1 CuCl2N6O8C12H16 AB2C6D8E12F16 156.17 15.29 0.0 0.0 0
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12274 134005 1 N3O5C10H15 A3B5C10D15 -198.45 4.25 -9.78 -0.62 0
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12275 134006 1 OS2N3H9C12 AB2C3D9E12 66.0 7.79 -9.02 -0.99 0
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12276 134033 1 ClON6C13H13 ABC6D13E13 74.35 1.92 -9.92 -0.73 0
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12277 134042 1 SN3O4H13C15 AB3C4D13E15 -73.59 4.47 -8.42 -0.75 0
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12278 134096 1 PSN3O7H14C15 ABC3D7E14F15 -278.67 3.01 -9.57 -1.77 0
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12279 134112 1 FON2C22H27 ABC2D22E27 -49.08 1.93 -8.36 -0.09 0
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12280 134116 1 O8H16C17 A8B16C17 -270.84 3.22 -8.92 -0.98 0
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12281 134122 1 NO5H15C19 AB5C15D19 -114.18 2.48 -8.87 -1.25 0
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12282 134133 1 O4N10C21H22 A4B10C21D22 -11.61 5.68 -8.79 -1.16 0
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12283 134135 2 NO3C5H7 AB3C5D7 -237.91 7.98 -10.05 -0.45 0
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12284 134136 1 ClNO5C22H24 ABC5D22E24 -150.63 4.64 -8.75 -0.43 0
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12285 134139 1 SO5C19H32 AB5C19D32 -258.99 6.66 -9.27 -0.06 0
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12286 134177 1 N3I4O7H15C20 A3B4C7D15E20 -123.76 6.74 -8.98 -1.56 0
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12287 134197 1 S2O9H10C13 A2B9C10D13 -325.72 5.64 -9.44 -1.92 0
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12288 134198 1 BrNO2C12H16 ABC2D12E16 -71.76 2.63 -9.12 -0.06 0
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12289 134200 1 PN6O7C10H15 AB6C7D10E15 -265.1 8.45 -9.8 -1.36 0
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12290 134206 6 OC4H5 AB4C5 -239.77 3.59 -9.16 -0.41 0
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12291 134219 1 BrPN2O8C11H12 ABC2D8E11F12 -370.46 5.34 -9.67 -1.41 -2
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12292 134227 1 ClNOSC14H14 ABCDE14F14 -11.36 6.19 -9.38 -0.6 0
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12293 134229 1 BrON2C8H9 ABC2D8E9 -15.66 4.53 -10.11 -0.78 0
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12294 134247 1 NO6C19H33 AB6C19D33 -314.65 4.34 -9.72 0.65 0
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12295 134266 2 N2C7H9 A2B7C9 34.06 1.64 -8.83 0.16 0
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12296 134269 1 NaSO9H13C15 ABC9D13E15 -395.49 9.79 -8.49 -0.61 0
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12297 134274 1 NO2H27C30 AB2C27D30 24.91 3.42 -8.32 -0.69 0
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12298 134305 1 O2S2N3C18H21 A2B2C3D18E21 -47.15 2.07 -8.79 -1.1 0
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12299 134307 1 ON3S3C18H20 AB3C3D18E20 43.45 3.76 0.0 0.0 1
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12300 134333 1 NO4C20H23 AB4C20D23 -106.31 1.6 -8.31 0.24 0
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12301 134362 1 ClN4O5C9H15 AB4C5D9E15 -195.09 7.83 -9.23 -0.94 0
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12302 134368 2 NO3C14H17 AB3C14D17 -218.86 7.34 -9.54 -1.23 0
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12303 134370 1 N2O3C27H28 A2B3C27D28 -65.74 9.1 -9.14 -0.66 0
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12304 134391 1 ON2C9H11 AB2C9D11 50.76 1.5 0.0 0.0 1
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12306 134454 1 N3O4H15C18 A3B4C15D18 -88.55 9.06 -9.23 -1.07 0
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12307 134492 2 O3H5C8 A3B5C8 -150.12 9.34 -8.59 -1.46 0
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12308 134522 2 SO5H7C8 AB5C7D8 -339.82 1.05 -10.34 -1.82 0
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12309 134561 3 OH4C5 AB4C5 -61.0 1.58 -9.11 -0.81 0
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12310 134575 1 IN2O2C9H13 AB2C2D9E13 -39.27 4.63 -8.1 -0.17 0
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12311 134635 1 NO3C4H7 AB3C4D7 -106.43 5.11 -10.25 -0.35 0
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12312 134646 1 O3N5C20H25 A3B5C20D25 -74.59 3.88 -8.9 -0.57 0
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12313 134700 1 ON3C15H15 AB3C15D15 40.5 4.53 -8.26 -1.15 0
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12314 134701 1 ON3C6H11 AB3C6D11 -22.74 2.87 -8.74 0.57 0
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12315 134703 1 O4C27H42 A4B27C42 -206.77 3.09 -8.86 0.02 0
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12316 134706 1 O3N4C10H10 A3B4C10D10 -42.92 10.29 -9.29 -1.5 0
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12317 134707 3 OC5H8 AB5C8 -166.87 3.63 -10.18 0.26 0
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12319 134750 1 Cl2O4C9H18 A2B4C9D18 -217.86 2.22 -10.21 0.37 0
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12320 134754 1 O7C22H26 A7B22C26 -308.85 8.66 -9.27 -0.52 0
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12321 134852 4 NOH2C3 ABC2D3 -92.99 5.38 -9.94 -2.6 0
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12322 134853 1 OC27H44 AB27C44 -90.42 2.5 -9.08 1.53 0
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12323 134877 1 ClFN2O2H12C17 ABC2D2E12F17 -49.28 4.34 -9.43 -1.08 0
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12324 134893 1 N2O8C19H20 A2B8C19D20 -305.4 4.08 -9.47 -0.7 0
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12326 134956 2 NOC5H5 ABC5D5 -55.93 3.75 -9.69 -0.78 0
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12327 134960 1 N3O4H9C12 A3B4C9D12 -116.08 6.69 -10.62 -2.04 0
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12328 135075 1 NO3H9C16 AB3C9D16 16.32 6.97 -9.1 -1.77 0
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12329 135112 1 PO12H27C30 AB12C27D30 -507.98 2.6 -9.31 -0.66 0
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12330 135117 1 N2S2O6C23H24 A2B2C6D23E24 -207.77 6.41 -9.64 -1.09 0
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12331 135119 1 ClO4N5C6H14 AB4C5D6E14 -114.52 9.44 -10.17 -1.14 0
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12332 135126 1 SO6C18H24 AB6C18D24 -265.06 3.65 -8.75 -1.03 0
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12333 135129 2 OC11H18 AB11C18 -96.55 4.93 -9.59 0.63 0
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12334 135158 1 Br3O10C21H21 A3B10C21D21 -383.83 6.67 -9.06 -0.92 0
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12335 135195 1 Cl2N2C13H24 A2B2C13D24 -66.29 3.02 -8.89 -0.16 0
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12336 135197 1 O3C19H26 A3B19C26 -137.58 2.38 -9.3 0.46 0
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12337 135208 1 O5N7C29H47 A5B7C29D47 -236.49 4.0 -8.72 -0.24 0
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12338 135282 1 O4N5C6H13 A4B5C6D13 -74.63 6.49 -9.96 -1.18 0
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12339 135397 2 OC10H11 AB10C11 -18.67 6.86 -9.31 -0.75 0
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12340 135403 1 NP2C4O7H13 AB2C4D7E13 -435.35 5.85 -9.19 -0.12 0
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12341 135419 1 FO2C3N3H6 AB2C3D3E6 -84.38 3.22 -10.34 -0.91 0
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12342 135441 1 C2N2O3H4 A2B2C3D4 -87.63 2.67 -10.04 -0.6 0
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12343 135445 1 NSC7H15 ABC7D15 -25.5 1.21 -8.69 0.46 0
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12344 135473 1 INO2H6C10 ABC2D6E10 -15.72 7.85 -9.86 -1.8 0
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12345 135510 1 O2N3C5H11 A2B3C5D11 -51.33 2.65 -9.94 -0.5 0
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12346 135517 1 OSN2C7H14 ABC2D7E14 -12.77 2.37 -9.15 -0.14 0
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12347 135551 1 N2O3C11H22 A2B3C11D22 -134.54 2.18 -9.77 -0.1 0
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12348 135558 2 O3H7C8 A3B7C8 -210.86 3.11 -8.46 -1.0 0