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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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329526 126737822 2 NO2C12H12 AB2C12D12 -88.69 2.81 -8.89 -0.88 0
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329527 126737824 1 NPO5C25H50 ABC5D25E50 -366.04 4.56 -9.45 0.43 1
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329528 126737837 1 PN2S3O6C67H140 AB2C3D6E67F140 -567.54 2.45 0.0 0.0 0
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329529 126737840 1 SO2N3C21H29 AB2C3D21E29 -79.3 2.98 -8.53 -0.67 0
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329530 126737851 1 NOSH21C38 ABCD21E38 147.82 2.28 -8.13 -1.07 0
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329531 126737854 1 OSN3H25C46 ABC3D25E46 213.13 1.47 -8.23 -1.48 0
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329532 126737873 1 NSH31C46 ABC31D46 177.47 1.87 -8.04 -0.93 0
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329533 126737875 1 OSN3H27C48 ABC3D27E48 223.31 4.17 -8.08 -1.32 0
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329534 126737879 1 N5O5C33H37 A5B5C33D37 -122.4 3.19 -8.24 -0.62 0
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329535 126737887 4 NOC7H7 ABC7D7 -36.73 7.73 -8.58 -0.84 0
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329536 126737888 1 N5O7C38H43 A5B7C38D43 -198.06 5.42 -8.23 -0.79 0
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329537 126737892 1 N5O6C36H39 A5B6C36D39 -139.12 8.9 -8.32 -0.66 0
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329538 126737894 1 ClN5O5C31H32 AB5C5D31E32 -112.71 7.65 -8.36 -0.56 0
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329539 126737901 1 N5O5C32H33 A5B5C32D33 -75.82 10.71 -8.45 -0.57 0
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329540 126737902 1 N5O5C32H35 A5B5C32D35 -113.74 7.26 -8.45 -0.49 0
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329541 126737906 1 N5O5C35H37 A5B5C35D37 -93.7 4.74 -8.01 -0.75 0
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329542 126737927 1 N2O5H22C23 A2B5C22D23 -137.31 6.14 -9.05 -1.08 0
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329543 126737931 1 NOPC7H14 ABCD7E14 -19.93 3.85 -8.49 0.53 0
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329544 126737980 1 ON3H25C44 AB3C25D44 202.03 3.36 -8.22 -1.11 0
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329545 126737985 1 O2N3H27C50 A2B3C27D50 201.35 3.18 -8.21 -1.13 0
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329546 126737986 1 SN3H27C48 AB3C27D48 257.33 3.15 -8.07 -1.22 0
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329547 126737995 1 SN2H30C52 AB2C30D52 249.91 2.58 -8.15 -1.25 0
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329548 126738009 1 PN2O3C39H79 AB2C3D39E79 -320.6 1.51 -9.11 0.86 0
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329549 126738044 1 NH23C39 AB23C39 176.58 1.87 -7.96 -0.78 0
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329550 126738073 1 O2N6C31H32 A2B6C31D32 49.38 7.06 -8.55 -1.35 0
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329552 126738095 1 OC20H34 AB20C34 -100.19 2.18 -9.03 1.57 0
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329553 126738157 1 OC24H38 AB24C38 -113.56 3.85 -9.64 0.85 0
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329554 126738159 1 BrN2H19C30 AB2C19D30 154.01 3.21 -9.01 -1.08 0
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329555 126738167 1 N3C11H17 A3B11C17 50.7 0.4 -8.59 -0.01 0
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329556 126738171 1 F3O5N6C37H41 A3B5C6D37E41 -269.63 10.6 -8.72 -1.12 0
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329557 126738216 1 O4N5C31H35 A4B5C31D35 -63.19 6.31 -7.99 -0.48 0
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329561 126738253 1 ClINO2H3C8 ABCD2E3F8 -22.21 4.79 -9.65 -1.8 0
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329562 126738321 1 N4O6H22C25 A4B6C22D25 -62.08 11.96 -8.57 -1.38 0
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329563 126738390 1 ClFO2H14C16 ABC2D14E16 -107.19 1.73 -9.42 -0.46 0
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329564 126738391 1 ClFO2H14C16 ABC2D14E16 -107.19 1.73 -9.42 -0.46 0
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329565 126738393 1 FN3C14H24 AB3C14D24 -32.04 2.4 -8.63 0.13 0
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329566 126738397 1 ON2F5H9C16 AB2C5D9E16 -214.59 3.76 -10.78 -1.65 0
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329567 126738399 1 SN2F4O4H20C22 AB2C4D4E20F22 -325.86 3.51 -9.8 -1.53 0
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329568 126738400 1 IC8H15 AB8C15 -3.53 2.03 -9.41 -0.47 0
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329569 126738405 1 NPO5C29H52 ABC5D29E52 -347.8 4.63 -8.32 0.4 0
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329570 126738408 1 PO5C28H49 AB5C28D49 -364.47 3.43 -8.43 0.25 0
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329571 126738422 1 ClSF2N5O5C25H26 ABC2D5E5F25G26 -215.06 2.18 -9.14 -1.22 0
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329572 126738437 1 NC16H31 AB16C31 -26.14 1.36 -8.85 1.16 0
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329573 126738446 1 PSO4N5C10H16 ABC4D5E10F16 -195.92 5.62 -8.62 -0.28 0
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329575 126738456 1 N3O3C21H29 A3B3C21D29 -137.33 1.61 -8.3 0.04 0
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329576 126738479 1 N3O3C24H35 A3B3C24D35 -153.6 1.76 -8.38 0.0 0
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329577 126738480 1 N3O3C23H33 A3B3C23D33 -149.13 3.02 -8.35 0.02 0
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329578 126738495 1 N3O3C26H39 A3B3C26D39 -168.27 3.04 -8.27 0.06 0
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329579 126738540 1 IF3C9H16 AB3C9D16 -186.9 1.24 -9.86 -0.9 0
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329580 126738561 1 F3O3N4H19C23 A3B3C4D19E23 -162.54 3.47 -8.95 -1.62 0