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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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172580 75527082 1 FO3N4C18H19 AB3C4D18E19 -64.71 4.52 -9.16 -1.03 0
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172581 75527129 1 ClF2O3N4H15C21 AB2C3D4E15F21 -76.82 3.28 -9.22 -1.14 0
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172582 75527223 1 ON4C21H22 AB4C21D22 46.25 5.62 -8.4 -0.42 0
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172583 75527301 1 ClOSN4H17C18 ABCD4E17F18 52.13 3.53 -8.6 -0.78 0
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172584 75527302 1 ClON4C22H23 ABC4D22E23 24.26 4.3 -8.5 -0.72 0
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172585 75527425 1 ClSO2N4C19H19 ABC2D4E19F19 13.7 5.13 -8.71 -0.9 0
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172586 75527426 1 ON2C13H22 AB2C13D22 9.06 4.46 -8.78 0.36 0
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172587 75527427 1 ON3C12H23 AB3C12D23 -1.9 4.55 -8.74 0.36 0
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172588 75527428 1 ON3C16H27 AB3C16D27 -12.68 3.9 -8.27 0.32 0
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172589 75527580 1 NSO5C21H25 ABC5D21E25 -177.61 6.69 -8.77 -0.74 0
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172590 75527581 1 NSO6C22H27 ABC6D22E27 -212.36 7.2 -8.54 -0.74 0
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172591 75527582 1 NSO5C22H27 ABC5D22E27 -184.31 7.2 -8.86 -0.63 0
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172592 75527592 1 NSO6C18H19 ABC6D18E19 -186.97 5.0 -8.59 -0.77 0
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172593 75527701 1 OSN2C22H22 ABC2D22E22 16.15 7.04 -8.28 -0.6 0
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172594 75528925 1 O17C29H46 A17B29C46 -777.06 9.09 -10.44 -0.55 0
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172595 75528930 1 O7H10C14 A7B10C14 -222.44 3.19 -8.97 -0.89 0
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172596 75528931 1 O13C38H58 A13B38C58 -603.12 2.52 -10.04 0.25 0
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172597 75528932 2 O2C5H6 A2B5C6 -163.44 4.47 -9.63 -0.87 0
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172598 75528933 1 O10C17H18 A10B17C18 -374.23 9.1 -9.32 -1.46 0
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172599 75529300 1 O2N3C18H23 A2B3C18D23 -24.75 1.19 -8.54 -0.2 0
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172600 75529508 1 N3O4C20H21 A3B4C20D21 -104.37 4.76 -9.29 -1.45 0
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172601 75529544 1 NO5C16H23 AB5C16D23 -212.33 4.45 -9.08 -0.02 0
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172602 75529547 1 NF3O4C15H18 AB3C4D15E18 -322.91 4.6 -10.03 -1.33 0
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172603 75529721 4 NOC5H8 ABC5D8 -144.01 6.7 -9.4 0.22 0
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172604 75529722 1 O3N4C17H28 A3B4C17D28 -88.53 9.26 -9.08 0.28 0
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172605 75529723 1 O3N5C21H29 A3B5C21D29 -54.11 6.28 -9.36 -0.37 0
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172606 75529724 1 O3N4C19H30 A3B4C19D30 -79.97 7.39 -9.35 0.26 0
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172607 75529725 1 SO3N5C19H27 AB3C5D19E27 -53.72 6.48 -9.46 -0.48 0
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172608 75529726 1 O3N6C20H30 A3B6C20D30 -58.98 13.42 -9.28 0.38 0
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172609 75529727 1 O4N5C22H31 A4B5C22D31 -101.04 7.78 -9.35 -0.3 0
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172610 75529728 1 SO3N4C19H30 AB3C4D19E30 -113.25 4.98 -8.82 -0.03 0
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172611 75529729 1 SO5N6C14H16 AB5C6D14E16 -67.07 10.07 -9.62 -1.17 0
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172612 75529730 1 NF3O3C16H20 AB3C3D16E20 -292.33 7.41 -10.27 -0.83 0
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172613 75530016 1 ClFNOC12H17 ABCDE12F17 -117.67 2.67 -8.2 -0.06 0
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172614 75530107 1 ClF2N3C9H16 AB2C3D9E16 -115.53 6.0 -9.38 0.28 -1
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172615 75530490 1 ClNOF3C6H10 ABCD3E6F10 -196.25 3.15 0.0 0.0 -1
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172616 75530521 1 ClNSC3F3H6 ABCD3E3F6 -136.55 3.26 0.0 0.0 0
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172617 75530694 1 ON2C9H22 AB2C9D22 -67.19 2.54 -8.43 2.84 0
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172618 75530999 1 O2C5N5H11 A2B5C5D11 -47.0 4.36 -9.34 -0.72 0
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172619 75531087 1 ClOF3N3C6H9 ABC3D3E6F9 -167.82 4.53 -10.33 -1.58 0
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172620 75531241 1 BClO3C6H8 ABC3D6E8 -198.7 3.78 -9.91 -0.6 0
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172621 75531488 1 ClSN2C12H19 ABC2D12E19 -7.52 5.62 -8.86 -0.28 0
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172622 75531493 1 BrNO2C17H22 ABC2D17E22 -66.99 7.06 -9.28 -0.44 0
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172623 75531538 1 ClN2O2C17H23 AB2C2D17E23 -61.93 2.92 -8.43 -0.15 0
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172624 75531931 1 N3O5C18H23 A3B5C18D23 -190.8 3.69 -8.86 -0.04 0
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172625 75532120 1 NOC14H17 ABC14D17 -49.72 4.33 -8.5 0.11 0
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172626 75532772 1 ON3C16H21 AB3C16D21 13.55 1.84 -8.96 -0.38 0
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172627 75532773 1 ION3C18H24 ABC3D18E24 27.05 2.73 -8.97 -0.25 0
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172628 75532774 1 ON3C18H23 AB3C18D23 31.65 3.25 -8.7 0.02 0
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172629 75533054 1 OSN5C16H23 ABC5D16E23 17.3 5.94 -8.6 0.18 0