List Systems

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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
319389 126655846 1 ClFNO2H19C24 ABCD2E19F24 -52.63 3.75 -9.22 -1.42 0
319390 126655848 1 NO2H25C30 AB2C25D30 13.61 3.33 -9.16 -1.45 0
319393 126655856 1 ClFO2H14C16 ABC2D14E16 -80.46 6.48 -9.56 -1.56 0
319394 126655858 2 ClOH7C8 ABC7D8 -41.12 6.56 -9.56 -1.7 0
319395 126655859 1 SO3C18H22 AB3C18D22 -113.29 3.32 -8.97 -0.2 0
319396 126655860 1 NOH25C29 ABC25D29 48.85 1.55 -8.84 -0.81 0
319398 126655862 1 ClO2H15C16 AB2C15D16 -32.53 6.69 -9.51 -1.71 0
319400 126655866 2 OH10C11 AB10C11 -15.22 6.04 -9.27 -1.54 0
319401 126655867 1 NO2C24H25 AB2C24D25 -32.16 2.66 -8.78 -0.48 0
319402 126655868 1 SO4C18H22 AB4C18D22 -141.59 4.63 -8.92 -0.22 0
319403 126655869 1 NO2H23C24 AB2C23D24 1.91 0.37 -8.81 -0.9 0
319404 126655870 1 NOC24H25 ABC24D25 -1.38 3.53 -8.54 -0.24 0
319405 126655871 1 NO2C24H25 AB2C24D25 -31.08 2.67 -8.64 -0.36 0
319407 126655873 1 O2N4C15H20 A2B4C15D20 -25.78 10.44 -9.02 -0.81 0
319409 126655886 1 O4N8C31H44 A4B8C31D44 -83.58 9.0 -8.09 -1.01 0
319412 126655919 2 NOC6H13 ABC6D13 -121.62 3.7 -9.81 1.04 0
319414 126655928 2 ClON2H17C18 ABC2D17E18 20.36 3.16 -8.76 -0.56 0
319415 126655930 1 BrNSO2H12C15 ABCD2E12F15 -10.29 3.77 -8.72 -1.08 0
319416 126655932 1 BrNH12C15 ABC12D15 62.81 1.12 -8.32 -0.57 0
319417 126655933 1 NO2C21H25 AB2C21D25 -56.63 4.26 -8.83 -0.17 0
319421 126655963 3 NO2C7H7 AB2C7D7 -127.42 6.41 -8.96 -0.52 0
319422 126655964 1 ClN3O3H12C15 AB3C3D12E15 16.16 4.39 -9.12 -0.98 0
319423 126655967 1 ON3C17H17 AB3C17D17 65.22 3.7 -8.95 -0.62 0
319424 126655969 1 ON5C25H27 AB5C25D27 60.05 3.27 -9.03 -0.84 0
319425 126655973 1 OC9H12 AB9C12 -26.26 3.14 -9.64 -0.04 0
319426 126655989 1 PS2N3H22C34 AB2C3D22E34 143.33 6.4 -7.93 -1.36 0
319427 126655992 1 PS2N3H26C40 AB2C3D26E40 167.88 4.16 -7.92 -1.36 0
319428 126655995 1 NPS2H24C36 ABC2D24E36 121.49 6.67 -7.9 -0.91 0
319429 126656001 1 OPSN3H26C40 ABCD3E26F40 141.37 5.7 -7.99 -1.42 0
319430 126656003 1 OPN4H31C42 ABC4D31E42 134.7 5.9 -8.24 -1.36 0
319431 126656004 1 OPN3H28C41 ABC3D28E41 140.31 5.31 -7.5 -1.03 0
319432 126656006 1 PSN4H31C46 ABC4D31E46 202.06 6.51 -7.56 -1.33 0
319434 126656014 1 NPSH30C39 ABCD30E39 102.47 6.05 -8.07 -0.74 0
319436 126656022 1 ClON2H23C26 ABC2D23E26 79.99 3.87 -8.46 -0.77 0
319437 126656025 1 ClNOH10C18 ABCD10E18 45.41 2.07 -8.41 -0.95 0
319439 126656036 1 ON2H34C52 AB2C34D52 202.64 2.55 -8.1 -0.62 0
319440 126656037 1 ON2H34C52 AB2C34D52 199.3 3.23 -7.76 -0.4 0
319441 126656038 1 ON2H26C41 AB2C26D41 166.84 1.59 -8.06 -0.79 0
319442 126656040 1 NO6C39H67 AB6C39D67 -376.61 3.52 -9.18 0.91 0
319443 126656041 1 N4H58C65 A4B58C65 226.91 2.15 -7.71 -0.16 0
319446 126656060 2 ON2H17C28 AB2C17D28 220.69 3.56 -8.18 -0.89 0
319447 126656061 2 ON2H17C28 AB2C17D28 221.08 2.05 -8.08 -0.88 0
319448 126656062 1 ON4H24C39 AB4C24D39 193.68 0.5 -8.16 -1.12 0
319450 126656070 1 ClN2O3C10H13 AB2C3D10E13 -39.48 6.33 -9.98 -0.61 0
319451 126656071 1 ON5H39C57 AB5C39D57 269.96 3.61 -7.65 -1.1 0
319452 126656081 1 ClNO3C15H16 ABC3D15E16 -85.98 5.58 -8.65 -1.57 0
319453 126656083 2 O3C8H8 A3B8C8 -154.94 7.01 -8.95 -1.66 0
319456 126656086 1 NO16C38H47 AB16C38D47 -610.66 6.43 -8.8 -1.71 0
319457 126656090 1 NP2O5C8H15 AB2C5D8E15 -195.93 2.19 -9.64 -0.26 0
319460 126656105 1 N4O8C35H54 A4B8C35D54 -324.57 3.36 -8.67 -0.04 0
319461 126656106 1 N4O8C35H54 A4B8C35D54 -310.05 4.63 -8.72 -0.05 0
319464 126656115 1 Cl2O4N8C39H48 A2B4C8D39E48 -66.4 11.32 -8.41 -0.84 0
319465 126656121 1 N7O10C47H49 A7B10C47D49 -296.78 8.49 -8.72 -1.55 0
319467 126656124 1 ON5H41C61 AB5C41D61 281.84 1.65 -8.2 -1.0 0
319468 126656125 1 ON4H36C55 AB4C36D55 256.36 4.86 -8.19 -1.18 0
319469 126656133 1 N2O7H28C29 A2B7C28D29 -175.41 3.98 -8.96 -1.28 0
319470 126656175 1 SN2H26C42 AB2C26D42 196.27 2.27 -7.97 -0.83 0
319471 126656178 1 ON2H26C42 AB2C26D42 162.03 2.0 -7.99 -0.84 0
319472 126656180 1 SN2H26C42 AB2C26D42 190.96 1.87 -8.01 -0.85 0
319473 126656183 1 N2H24C37 A2B24C37 166.55 2.77 -7.74 -0.63 0
319474 126656189 1 NSH23C37 ABC23D37 161.73 2.05 -8.19 -0.67 0
319475 126656192 1 F3N7H20C42 A3B7C20D42 235.41 7.22 -9.45 -2.6 0
319476 126656197 1 N3C18H19 A3B18C19 54.7 2.56 -8.61 -0.53 0
319477 126656198 1 N3C18H19 A3B18C19 53.86 3.27 -8.62 -0.44 0
319478 126656211 2 NC9H9 AB9C9 86.41 0.84 -9.23 -0.96 0
319483 126656289 4 NC7H8 AB7C8 79.63 4.44 -8.0 0.17 0
319485 126656299 1 ON2H48C53 AB2C48D53 199.41 2.9 -7.83 -0.64 0
319488 126656320 1 OSN3H37C52 ABC3D37E52 218.92 2.53 -8.15 -0.91 0
319492 126656355 1 ON5H31C51 AB5C31D51 253.72 1.34 -8.24 -1.2 0
319493 126656357 1 ON4H36C53 AB4C36D53 227.73 3.62 -8.18 -0.9 0
319494 126656372 1 NH25C31 AB25C31 119.46 1.54 -7.95 -0.07 0
319496 126656385 1 ON2H26C42 AB2C26D42 165.97 1.32 -8.02 -0.76 0
319497 126656386 1 ON2H50C64 AB2C50D64 208.84 2.49 -7.82 -0.4 0
319498 126656387 1 ON2H52C60 AB2C52D60 163.97 3.4 -7.81 -0.5 0
319499 126656388 1 NOH27C39 ABC27D39 118.26 2.14 -8.14 -0.63 0