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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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14493 413267 1 N2O3C21H35 A2B3C21D35 -148.76 3.05 0.0 0.0 1
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14494 413269 1 N2O3C27H47 A2B3C27D47 -116.98 3.93 0.0 0.0 1
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14495 413281 1 ClON2C17H19 ABC2D17E19 7.22 2.75 -7.98 -0.44 0
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14496 413323 1 ClSN5H12C13 ABC5D12E13 117.85 3.04 -9.24 -1.81 0
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14497 413352 1 N2C11H12 A2B11C12 58.38 0.9 -8.35 -0.37 0
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14498 413355 1 NC22H41 AB22C41 -49.37 2.84 -7.5 0.88 0
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14499 413356 1 NC24H44 AB24C44 -61.17 2.07 0.0 0.0 1
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14500 413369 1 ClNOC12H19 ABCD12E19 -3.24 2.88 0.0 0.0 1
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14501 413376 1 NO2C6H13 AB2C6D13 -104.72 5.85 -9.98 0.79 0
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14502 413378 1 NOC9H13 ABC9D13 -38.31 1.87 -8.76 0.12 0
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14503 413379 2 SN3O4C8H8 AB3C4D8E8 -199.24 1.82 -9.05 -1.14 0
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14504 413380 2 SN3O3C8H8 AB3C3D8E8 -99.39 7.62 -9.18 -1.38 0
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14505 413391 1 AsC19H19 AB19C19 154.86 1.46 -8.05 0.16 0
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14506 413392 1 NSO2C21H29 ABC2D21E29 -61.91 2.2 -8.57 -0.1 0
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14507 413393 2 N3O6C7H12 A3B6C7D12 -441.85 2.56 -9.78 -1.18 0
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14508 413395 1 ClCo AB 73.5 2.33 -9.2 -7.85 2
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14509 413415 1 S2N9O16H17C28 A2B9C16D17E28 -128.05 3.03 -9.27 -3.08 0
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14511 413463 1 O3H18C25 A3B18C25 -19.14 5.86 -8.58 -0.83 0
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14512 413479 1 NO4C15H21 AB4C15D21 -150.99 2.82 -8.64 -0.78 0
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14513 413526 1 BrN5C8H10 AB5C8D10 49.65 2.31 -8.51 -0.28 0
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14514 413527 1 N5C14H15 A5B14C15 76.43 3.08 -8.33 -0.18 0
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14515 413540 2 NC9H10 AB9C10 60.87 2.69 -8.91 0.22 0
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14516 413541 1 SN2C8H10 AB2C8D10 44.66 2.5 -9.19 -0.3 0
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14517 413542 1 ON2C12H16 AB2C12D16 -8.28 3.02 -8.89 0.09 0
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14518 413546 1 N2C25H35 A2B25C35 64.04 2.84 0.0 0.0 1
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14519 413549 2 NC6H8 AB6C8 32.19 2.74 -8.88 0.24 0
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14520 413552 1 SO7C13H18 AB7C13D18 -289.48 3.17 -8.96 -0.28 0
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14521 413584 1 AsClN2O2C12H12 ABC2D2E12F12 -55.07 5.73 -8.5 -0.47 0
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14522 413586 1 AsOH23C26 ABC23D26 135.36 4.3 -8.32 -0.42 0
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14523 413599 1 N3O4C27H50 A3B4C27D50 -166.64 5.25 0.0 0.0 1
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14524 413600 3 NO3C11H14 AB3C11D14 -271.99 4.62 0.0 0.0 1
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14525 413652 1 SN6C12H12 AB6C12D12 126.9 6.58 -9.45 -1.4 0
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14526 413656 1 ClNO5C24H28 ABC5D24E28 -171.19 2.41 -8.49 -0.08 0
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14528 413659 1 N4O5H12C16 A4B5C12D16 -15.16 5.23 -9.57 -1.73 0
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14529 413672 1 ClN2O2C24H31 AB2C2D24E31 -78.59 2.9 -8.28 -0.57 0
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14530 413677 1 SN3O3C20H23 AB3C3D20E23 -23.38 7.98 -8.67 -1.0 0
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14531 413786 1 ClOPN2C5H10 ABCD2E5F10 -31.35 3.18 -9.96 0.44 0
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14532 413817 1 C4N5O5H7 A4B5C5D7 -56.3 4.66 -10.69 -1.47 0
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14533 413912 1 N4O5C11H14 A4B5C11D14 -50.47 7.24 -9.53 -1.49 0
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14534 413937 1 N5C13H19 A5B13C19 88.0 7.22 -9.46 -0.25 0
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14535 413938 1 NOC11H13 ABC11D13 -7.98 1.95 -8.9 -0.2 0
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14536 414019 1 BrH3N4C5 AB3C4D5 104.79 2.55 -10.82 -2.15 0
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14537 414066 2 N2O2C3H4 A2B2C3D4 -4.04 0.47 -9.56 -0.96 2
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14538 414073 2 NOC5H6 ABC5D6 -50.01 3.56 -9.79 -0.2 0
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14539 414076 1 BrNO2C8H10 ABC2D8E10 -55.27 4.46 -8.07 -0.04 0
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14540 414077 1 N2O4H8C11 A2B4C8D11 -35.95 6.17 -9.77 -1.55 0
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14541 414092 1 NOC8H19 ABC8D19 -79.02 1.67 -8.93 2.61 0
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14542 414139 1 NO3H12C13 AB3C12D13 -56.78 2.41 0.0 0.0 1
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14543 414149 1 PN2O2C14H15 AB2C2D14E15 -39.64 2.53 -8.85 -0.51 0
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14544 414194 1 NOC12H20 ABC12D20 -18.97 2.36 0.0 0.0 1