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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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40078 8143532 1 S2N4C15H21 A2B4C15D21 73.11 15.03 0.0 0.0 0
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40079 8143534 1 ON2C22H22 AB2C22D22 71.23 3.39 -8.8 -0.62 1
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40080 8143535 1 S2N4C14H19 A2B4C14D19 98.52 9.66 0.0 0.0 1
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40081 8143537 1 S2N4C15H21 A2B4C15D21 88.89 10.39 0.0 0.0 1
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40082 8143539 1 FSN4C19H20 ABC4D19E20 73.18 5.88 0.0 0.0 0
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40083 8143540 1 FSN4C19H19 ABC4D19E19 55.51 3.93 -8.36 -0.68 1
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40084 8143541 1 SF2N4C19H19 AB2C4D19E19 35.06 10.21 0.0 0.0 0
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40085 8143542 1 SF2N4H18C19 AB2C4D18E19 11.09 4.31 -8.32 -0.8 1
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40086 8143543 1 S2N4C14H19 A2B4C14D19 97.17 10.21 0.0 0.0 0
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40087 8143545 1 N3O4C18H25 A3B4C18D25 -125.99 6.19 -8.41 -0.15 1
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40088 8143546 1 S2N4C16H23 A2B4C16D23 87.58 10.3 0.0 0.0 0
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40089 8143547 2 SN2C8H11 AB2C8D11 65.97 5.46 -8.23 -0.82 1
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40090 8143548 1 OS2N4C19H21 AB2C4D19E21 102.1 11.74 0.0 0.0 0
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40091 8143549 1 OS2N4C19H20 AB2C4D19E20 77.45 3.26 -8.28 -0.96 1
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40092 8143550 1 O2N3H22C25 A2B3C22D25 59.47 7.57 0.0 0.0 1
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40093 8143552 1 ClSN5C18H19 ABC5D18E19 128.88 12.99 0.0 0.0 0
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40094 8143553 1 ClSN5C18H18 ABC5D18E18 104.83 3.79 -8.51 -1.02 1
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40095 8143554 1 O2N3H22C25 A2B3C22D25 57.96 10.38 0.0 0.0 0
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40096 8143555 1 O2N3H21C25 A2B3C21D25 42.53 8.95 -9.14 -1.06 0
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40097 8143557 1 ClOSN4C18H23 ABCD4E18F23 14.4 1.28 -8.23 -0.73 1
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40098 8143558 1 ClOSN4C18H24 ABCD4E18F24 41.26 3.73 0.0 0.0 0
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40099 8143561 1 SN3O3C15H19 AB3C3D15E19 -40.28 6.89 -8.48 -0.82 0
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40100 8143563 1 SN3O4C16H21 AB3C4D16E21 -74.09 5.76 -8.31 -0.86 0
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40101 8143564 1 SN2H12C16 AB2C12D16 93.44 5.89 -8.47 -0.57 1
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40102 8143565 1 OS2N4C14H19 AB2C4D14E19 68.55 10.64 0.0 0.0 0
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40103 8143566 1 OS2N4C14H18 AB2C4D14E18 46.09 6.36 -8.13 -0.75 0
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40104 8143568 1 OS2N4C18H20 AB2C4D18E20 70.35 3.61 -8.11 -0.63 0
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40105 8143571 1 O2N3H9C10 A2B3C9D10 35.59 6.03 -9.07 -1.92 1
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40106 8143572 1 S2O3N4C18H25 A2B3C4D18E25 -31.09 6.41 0.0 0.0 0
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40107 8143573 1 S2O3N4C18H24 A2B3C4D18E24 -49.41 4.26 -8.81 -1.21 0
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40108 8143574 1 O2N3H9C10 A2B3C9D10 35.78 6.19 -9.09 -1.89 1
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40109 8143575 1 OSN5C23H26 ABC5D23E26 105.48 14.41 0.0 0.0 1
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40110 8143577 1 SN4C15H21 AB4C15D21 76.52 4.29 0.0 0.0 0
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40111 8143579 1 O2N6H18C21 A2B6C18D21 90.75 6.53 -9.27 -1.16 1
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40112 8143582 1 SCl2N5C18H18 AB2C5D18E18 123.31 13.83 0.0 0.0 1
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40113 8143584 1 OS2N4C14H19 AB2C4D14E19 67.27 9.37 0.0 0.0 0
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40114 8143585 1 OS2N4C14H18 AB2C4D14E18 45.33 5.2 -8.15 -0.84 0
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40115 8143587 1 OSN5C13H17 ABC5D13E17 66.91 1.65 -8.48 -0.57 1
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40116 8143588 1 S2O3N4C17H25 A2B3C4D17E25 -32.54 9.69 0.0 0.0 1
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40117 8143590 1 SN5C21H26 AB5C21D26 113.72 6.21 0.0 0.0 0
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40118 8143593 1 SN5C22H27 AB5C22D27 87.42 1.87 -8.25 -0.87 0
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40119 8143595 1 SO2N3C11H13 AB2C3D11E13 11.51 4.9 -8.74 -0.96 1
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40120 8143596 1 BrO2N3H19C20 AB2C3D19E20 31.67 6.93 0.0 0.0 0
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40121 8143597 1 BrO2N3H18C20 AB2C3D18E20 17.17 7.15 -9.1 -1.02 1
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40122 8143598 1 SN4C22H27 AB4C22D27 100.77 8.49 0.0 0.0 0
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40123 8143599 1 SN4C22H26 AB4C22D26 75.93 3.55 -8.09 0.04 0
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40124 8143601 1 BrO2N3H18C20 AB2C3D18E20 15.39 9.07 -9.06 -0.98 1
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40125 8143602 1 SN4C16H19 AB4C16D19 95.84 5.4 0.0 0.0 1
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40126 8143604 1 SN4C11H15 AB4C11D15 100.03 10.74 0.0 0.0 0
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40127 8143605 1 SN4C11H14 AB4C11D14 75.65 3.09 -8.19 -0.93 1
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40128 8143610 1 SO2N4C21H31 AB2C4D21E31 -24.03 5.96 0.0 0.0 0
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40129 8143611 1 SO2N4C21H30 AB2C4D21E30 -25.06 5.96 -8.18 -0.54 1
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40130 8143612 1 SN5C12H18 AB5C12D18 91.0 7.91 0.0 0.0 1
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40131 8143614 1 ClOSN3C13H15 ABCD3E13F15 47.22 11.06 0.0 0.0 1
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40132 8143616 1 SN3O4C19H28 AB3C4D19E28 -80.91 7.65 0.0 0.0 0
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40133 8143617 1 SN3O4C19H27 AB3C4D19E27 -95.87 4.62 -8.4 -0.84 1
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40134 8143620 1 SN5C14H20 AB5C14D20 88.87 12.28 0.0 0.0 1
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40135 8143621 1 OSN5C20H20 ABC5D20E20 96.47 10.42 0.0 0.0 0
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40136 8143624 1 SN5C14H19 AB5C14D19 88.95 1.98 -8.61 -0.49 1
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40137 8143625 1 O2N3C13H22 A2B3C13D22 -80.92 2.77 0.0 0.0 0
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40138 8143626 1 O2N3C13H21 A2B3C13D21 -103.93 1.51 -9.12 0.3 1
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40139 8143627 1 OSN5C17H20 ABC5D17E20 74.31 12.05 0.0 0.0 0
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40140 8143628 1 OSN5C17H19 ABC5D17E19 60.95 2.78 -8.48 -1.09 0
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40141 8143629 1 OSN3C9H9 ABC3D9E9 17.09 2.58 -9.2 -1.25 1
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40142 8143630 1 OSN4C22H27 ABC4D22E27 71.76 9.2 0.0 0.0 0
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40143 8143631 1 OSN4C22H26 ABC4D22E26 50.98 5.25 -8.02 -0.33 1
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40144 8143634 1 O2N3C16H22 A2B3C16D22 -47.62 2.97 0.0 0.0 0
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40145 8143639 1 O2N3C14H23 A2B3C14D23 -103.9 1.46 -9.08 0.37 1
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40146 8143643 1 O2N3C15H20 A2B3C15D20 -39.21 2.68 0.0 0.0 0
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40147 8143645 1 OSN3C19H19 ABC3D19E19 57.27 8.02 -8.38 -0.9 0
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40148 8143648 1 ClFSO2N3H9C14 ABCD2E3F9G14 12.0 5.7 -9.52 -1.65 0
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40149 8143650 1 O2N3C16H21 A2B3C16D21 -65.19 1.83 -9.1 -0.06 0
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40150 8143652 1 O2N3C16H21 A2B3C16D21 -65.93 1.06 -9.16 -0.11 1
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40151 8143653 1 O2N3C19H22 A2B3C19D22 -22.94 2.94 0.0 0.0 1
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40152 8143655 1 O2N3C19H22 A2B3C19D22 -23.21 2.79 0.0 0.0 0