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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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159443 57280196 1 O3C16H22 A3B16C22 -135.4 2.2 -8.86 0.26 0
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159444 57280199 1 ClON2C12H23 ABC2D12E23 -69.22 4.65 -8.57 -0.23 0
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159445 57280203 1 O2N7H19C20 A2B7C19D20 112.68 7.99 -8.78 -1.53 0
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159446 57280206 1 INOC9H12 ABCD9E12 -25.97 3.02 -9.25 -0.78 0
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159447 57280209 1 NSiC15H23 ABC15D23 -21.18 2.41 -8.4 0.12 0
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159448 57280210 4 C5H7 A5B7 -8.41 1.38 -8.75 0.5 0
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159449 57280212 1 OSiCl2C4H9 ABC2D4E9 -95.77 2.44 0.0 0.0 0
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159450 57280213 1 BrN2O3C5H7 AB2C3D5E7 -78.15 4.85 -9.52 -1.08 0
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159451 57280215 1 SN2F3O3H19C21 AB2C3D3E19F21 -204.66 7.7 -8.93 -1.14 0
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159452 57280218 1 ClFSO3N5C28H29 ABCD3E5F28G29 -106.6 6.31 -8.57 -1.08 0
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159453 57280228 1 OC11H20 AB11C20 -75.32 2.07 -9.15 1.54 0
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159454 57280232 1 NO5C18H33 AB5C18D33 -299.81 2.77 -9.6 0.69 1
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159455 57280234 1 S3N4H9C13 A3B4C9D13 126.68 2.28 0.0 0.0 0
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159456 57280235 1 ClNO5C24H28 ABC5D24E28 -199.45 9.6 -9.17 -0.83 0
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159457 57280236 1 SO3N5C10H19 AB3C5D10E19 -109.91 2.48 -9.2 -0.38 0
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159458 57280237 1 N3O3H25C28 A3B3C25D28 -12.3 6.76 -8.49 -0.77 0
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159459 57280240 2 O3C8H9 A3B8C9 -226.17 4.39 -11.03 -0.75 0
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159460 57280242 1 NSO5C8H15 ABC5D8E15 -200.4 2.15 -9.38 -0.19 0
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159461 57280244 1 HNSC2O2F6 ABCD2E2F6 -385.59 2.13 -12.33 -1.82 0
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159462 57280251 1 NO4C21H29 AB4C21D29 -172.03 5.65 -9.01 -0.22 0
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159463 57280254 1 SN2O6H12C13 AB2C6D12E13 -134.8 6.66 -9.92 -1.79 0
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159464 57280257 1 N3S3O8H23C33 A3B3C8D23E33 -115.77 10.09 -8.62 -1.15 0
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159465 57280258 1 BrON2C30H31 ABC2D30E31 33.09 3.06 -8.32 -0.16 0
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159466 57280269 1 NS2O5C16H19 AB2C5D16E19 -140.53 10.22 -9.28 -0.79 0
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159467 57280271 1 N2O4H18C19 A2B4C18D19 -86.69 8.88 -7.72 -1.0 0
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159468 57280273 2 NOC9H11 ABC9D11 -42.8 3.09 -8.96 -0.27 0
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159469 57280274 2 OC16H32 AB16C32 -231.88 1.72 -10.26 0.96 0
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159470 57287806 1 O2C21H32 A2B21C32 -105.11 4.21 -9.21 0.35 0
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159471 57287809 2 NO2C13H22 AB2C13D22 -161.66 6.79 -8.82 -0.63 1
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159472 57288085 1 N3O4C9H12 A3B4C9D12 -120.93 2.97 0.0 0.0 0
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159473 57288107 1 NSO4C10H19 ABC4D10E19 -203.52 5.43 -9.54 -0.15 0
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159474 57288108 1 N2S3O12H14C18 A2B3C12D14E18 -346.68 9.04 -9.79 -2.29 0
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159475 57288122 1 O2N4C19H24 A2B4C19D24 -21.94 6.25 -9.96 -0.88 0
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159476 57288125 1 NS4C34H55 AB4C34D55 -36.05 2.03 -8.06 -0.33 0
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159477 57288134 1 SN2O5C24H24 AB2C5D24E24 -85.81 8.16 -9.3 -0.9 0
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159478 57288138 1 O3C11H24 A3B11C24 -185.48 1.99 -10.14 1.77 0
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159479 57288140 1 N3O3C14H23 A3B3C14D23 -138.49 5.27 -8.88 -0.7 0
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159480 57288146 1 F3O3H9C14 A3B3C9D14 -196.68 4.6 -9.16 -1.0 0
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159481 57288148 1 O3H22C23 A3B22C23 -45.48 1.33 -8.64 -0.08 0
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159482 57288150 1 SN2O7H20C25 AB2C7D20E25 -183.56 3.39 -9.15 -1.4 -1
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159483 57288158 1 ClSC3O3H4 ABC3D3E4 -63.7 0.84 0.0 0.0 0
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159484 57288161 2 OSC3H5 ABC3D5 -87.54 4.61 -9.34 -1.61 0
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159485 57288165 1 O2N3H11C16 A2B3C11D16 53.58 4.24 -10.08 -1.08 1
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159486 57288167 1 N2O2C9H9 A2B2C9D9 12.35 3.72 0.0 0.0 0
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159487 57288169 1 N2O3C11H12 A2B3C11D12 -29.3 7.13 -9.82 -1.39 0
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159488 57288171 2 NSO4C12H13 ABC4D12E13 -237.42 3.51 -8.96 -1.08 0
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159489 57288190 1 O6N8C17H18 A6B8C17D18 -36.57 5.26 -9.29 -1.51 0
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159490 57288195 2 N4C11H14 A4B11C14 142.99 4.33 -7.64 -0.15 1
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159491 57288197 1 PO6C14H14 AB6C14D14 -234.48 1.3 0.0 0.0 0
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159492 57288211 2 OC8H11 AB8C11 -82.9 6.82 -9.69 -0.75 1