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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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5437 13151 1 NOCl3C4H8 ABC3D4E8 -81.43 0.96 -9.93 -0.58 0
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5438 13153 1 OC3Cl4 AB3C4 -43.54 2.24 -10.32 -1.55 0
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5439 13162 1 OC15H30 AB15C30 -109.41 3.18 -9.85 0.81 0
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5440 13163 1 O4C9H16 A4B9C16 -208.03 2.49 -10.81 0.74 0
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5441 13164 2 OC5H9 AB5C9 -102.75 2.16 -10.06 0.25 0
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5442 13165 1 O3C5H8 A3B5C8 -119.14 3.67 -10.44 -0.6 0
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5443 13166 1 OC8H14 AB8C14 -19.98 2.07 -10.63 1.14 0
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5444 13167 1 CCaH2S2O6 ABC2D2E6 -271.19 6.65 -10.54 -1.11 0
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5445 13168 1 ON2C3F3H5 AB2C3D3E5 -156.12 3.83 -10.04 -0.23 0
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5446 13169 1 ClNC6H16 ABC6D16 -73.34 6.01 -9.84 1.88 0
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5447 13170 2 PNa2C4O6H9 AB2C4D6E9 -868.43 5.22 -8.62 0.79 0
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5448 13171 1 PC5O6H13 AB5C6D13 -357.03 6.74 -10.82 0.9 0
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5449 13172 1 N3O3C7H11 A3B3C7D11 -86.06 5.44 -9.92 -0.62 0
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5450 13174 2 OC4H8 AB4C8 -126.93 2.19 -10.66 0.99 0
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5451 13175 1 OC10H20 AB10C20 -85.58 3.33 -9.92 0.73 0
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5452 13176 1 C7H8 A7B8 71.5 0.67 -9.4 0.06 0
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5453 13177 2 OC3H4 AB3C4 -68.94 0.14 -10.38 -1.07 0
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5454 13178 1 O2C4N5H7 A2B4C5D7 -11.43 3.83 -9.9 -0.86 0
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5455 13179 1 O2C4N5H8 A2B4C5D8 6.23 5.29 0.0 0.0 1
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5456 13180 2 BrC2H3 AB2C3 4.48 0.0 -10.19 -0.87 0
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5457 13181 1 OC5H10 AB5C10 -44.55 1.71 -10.24 1.07 0
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5458 13182 2 ClC2H2 AB2C2 26.97 0.81 -10.65 -0.31 0
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5459 13183 2 NC2H5 AB2C5 23.6 0.02 -8.93 0.55 0
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5460 13184 1 Cl2C7H14 A2B7C14 -54.28 2.8 -10.85 0.28 0
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5461 13185 2 O2C7H13 A2B7C13 -231.84 10.2 -10.68 0.34 0
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5462 13186 1 NCl3C4H10 AB3C4D10 -69.44 5.14 -10.42 0.31 0
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5463 13187 1 OC9H18 AB9C18 -82.8 3.36 -10.11 0.75 0
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5464 13188 1 ClO2C7H13 AB2C7D13 -126.27 2.9 -10.75 0.51 0
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5465 13189 1 Cl2C9H18 A2B9C18 -63.72 2.41 -10.79 0.29 0
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5466 13190 11 CH2 AB2 -31.97 0.5 -10.03 1.32 0
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5467 13191 1 Cl2C9H18 A2B9C18 -65.8 2.41 -10.65 0.81 0
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5468 13192 2 NOC4H6 ABC4D6 -61.71 0.58 -10.4 0.28 0
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5469 13193 1 ClC13H27 AB13C27 -75.89 2.25 -10.54 0.94 0
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5470 13194 1 NaO2C18H35 AB2C18D35 -208.31 5.73 -9.56 0.45 0
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5471 13195 2 NC2H3 AB2C3 24.01 4.63 -9.16 0.76 0
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5472 13196 1 C3S3H4 A3B3C4 37.88 4.09 -8.85 -1.31 0
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5473 13197 7 CH2 AB2 -31.3 0.17 -10.8 3.89 0
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5474 13198 1 OC6H10 AB6C10 -48.59 2.6 -9.91 0.96 0
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5475 13199 1 PC6H13 AB6C13 -22.52 1.97 -9.08 3.02 0
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5476 13200 1 OC7H8 AB7C8 12.14 1.53 -9.92 0.52 0
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5477 13201 2 OC3H6 AB3C6 -102.19 1.64 -9.7 1.65 0
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5478 13202 2 ClC3H5 AB3C5 -47.34 3.69 -10.51 0.56 0
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5479 13203 1 ClOC6H9 ABC6D9 -65.99 4.86 -10.12 0.33 0
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5480 13205 1 N2C7H10 A2B7C10 11.74 1.47 -8.23 0.68 0
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5481 13207 1 OC8H14 AB8C14 -68.19 3.13 -9.76 0.83 0
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5482 13208 3 NC2H3 AB2C3 23.69 0.09 -10.4 -0.43 0
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5483 13211 2 C5H6 A5B6 3.02 1.03 -8.95 0.65 0
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5484 13213 2 C5H6 A5B6 5.61 1.09 -8.97 0.54 0
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5485 13215 1 NaSO2C7H7 ABC2D7E7 -88.87 4.77 -7.46 0.69 0
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5486 13216 1 OC10H18 AB10C18 -87.67 2.31 -10.16 3.01 0