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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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133586 51558698 2 ClOSN3H7C8 ABCD3E7F8 28.52 2.32 -9.16 -1.19 -1
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133587 51558755 1 N4O7H19C26 A4B7C19D26 -58.79 9.34 0.0 0.0 1
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133588 51559071 1 N3O4C26H32 A3B4C26D32 -61.21 2.99 0.0 0.0 0
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133589 51559074 1 SN3O3C26H35 AB3C3D26E35 -102.58 9.58 -9.05 -0.24 0
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133590 51559440 1 FN2O3C28H31 AB2C3D28E31 -145.5 10.1 -8.36 -0.59 0
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133591 51559540 1 ClFOSN5C16H19 ABCDE5F16G19 -20.68 5.14 -9.41 -0.96 0
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133592 51560068 1 SO2N4C21H32 AB2C4D21E32 -71.22 3.68 -8.72 -0.44 0
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133593 51560098 1 SO2N4C21H32 AB2C4D21E32 -73.34 4.4 -8.88 -0.48 0
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133594 51560099 1 SO2N4C21H32 AB2C4D21E32 -72.79 5.15 -8.66 -0.36 0
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133595 51560250 1 SO2N5C19H29 AB2C5D19E29 -58.6 2.47 -8.86 -0.57 0
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133596 51560267 1 O2S2N5C25H39 A2B2C5D25E39 -92.23 2.97 -8.4 -0.75 0
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133597 51560363 1 S2O3N5C15H23 A2B3C5D15E23 -93.59 5.66 -8.75 -0.91 0
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133598 51560427 1 FOS2N4C16H21 ABC2D4E16F21 -41.06 5.51 -8.82 -1.04 0
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133599 51560428 1 FO2S2N6H17C19 AB2C2D6E17F19 -25.26 9.18 -8.35 -1.29 1
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133600 51560731 1 O2N4C8H15 A2B4C8D15 -57.93 5.13 0.0 0.0 0
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133601 51560734 1 O2N4C17H26 A2B4C17D26 -61.7 4.61 -8.95 -0.01 0
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133602 51560945 1 N3O4C21H35 A3B4C21D35 -161.79 3.99 -8.58 0.3 1
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133603 51560946 1 N3O4C21H36 A3B4C21D36 -139.85 2.46 0.0 0.0 0
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133604 51561368 1 NO8C27H27 AB8C27D27 -265.61 6.51 -8.52 -0.76 -1
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133605 51561468 1 ClSN3O5H9C15 ABC3D5E9F15 -50.82 7.91 0.0 0.0 0
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133606 51561671 1 SO4N6C15H18 AB4C6D15E18 -1.49 11.13 -9.3 -1.54 0
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133607 51562314 1 FNOC16H20 ABCD16E20 -71.47 5.03 -8.79 -0.07 0
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133608 51562315 1 FN2O3C21H23 AB2C3D21E23 -131.37 3.32 -8.52 -0.7 0
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133609 51562316 1 FN2O3C21H23 AB2C3D21E23 -137.29 5.81 -8.44 -0.1 0
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133610 51562346 1 ClFNOC16H19 ABCDE16F19 -78.48 4.27 -8.91 -0.43 0