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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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60551 26697178 1 SN2F3O4C18H19 AB2C3D4E18F19 -290.97 5.62 -8.79 -0.99 0
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60552 26697182 1 SO3N4C24H28 AB3C4D24E28 -64.62 0.73 -8.65 -0.51 0
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60553 26697183 1 SO3N4C24H28 AB3C4D24E28 -61.2 4.12 -8.52 -0.44 0
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60554 26697184 1 SN3O4C24H25 AB3C4D24E25 -108.88 4.89 -8.61 -0.8 0
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60555 26697185 1 ClNSO3C16H16 ABCD3E16F16 -94.03 2.33 -8.78 -1.22 0
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60556 26697186 1 SN2O3C24H26 AB2C3D24E26 -72.86 5.99 -8.72 -0.93 0
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60557 26697187 1 NO4C21H23 AB4C21D23 -128.07 5.53 -8.49 -0.58 0
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60558 26697189 1 BrSN2O4C19H21 ABC2D4E19F21 -118.78 6.68 -8.75 -1.41 0
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60559 26697190 1 Cl2N2S2O3C19H22 A2B2C2D3E19F22 -102.5 4.16 -8.45 -1.33 0
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60560 26697191 1 Cl2N2S2O3C19H22 A2B2C2D3E19F22 -99.26 3.43 -8.53 -1.38 0
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60561 26697192 1 NO3C20H23 AB3C20D23 -69.64 4.77 -8.58 -0.07 0
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60562 26697193 1 ClFN2S2O3C19H22 ABC2D2E3F19G22 -144.73 4.6 -8.56 -1.45 0
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60563 26697195 1 BrSN2O3C21H25 ABC2D3E21F25 -98.64 4.84 -8.73 -1.32 0
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60564 26697197 1 SN2O3C20H24 AB2C3D20E24 -96.37 4.86 -8.76 -0.82 0
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60565 26697199 1 ClSN2O3C18H21 ABC2D3E18F21 -104.91 2.66 -8.78 -1.25 0
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60566 26697200 1 SN2O3C20H26 AB2C3D20E26 -116.07 6.64 -8.77 -0.77 0
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60567 26697203 1 SN2O4C19H24 AB2C4D19E24 -133.77 4.23 -8.81 -0.84 0
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60568 26697204 1 BrSN2O3C17H19 ABC2D3E17F19 -86.36 2.83 -8.62 -1.08 0
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60569 26697206 1 ClSN2O3C17H19 ABC2D3E17F19 -97.55 6.77 -8.36 -1.21 0
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60570 26697207 1 SN2O3C20H26 AB2C3D20E26 -119.07 7.33 -8.81 -0.15 0
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60571 26697208 1 S2N3O4C22H25 A2B3C4D22E25 -145.88 3.88 -8.57 -1.75 0
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60572 26697209 1 N2O2C23H26 A2B2C23D26 -44.6 2.81 -8.7 -0.57 0
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60573 26697210 1 SN2O5C21H26 AB2C5D21E26 -167.81 6.46 -8.66 -0.43 0
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60574 26697212 1 ClSN2O3C17H19 ABC2D3E17F19 -86.31 3.9 -8.82 -1.17 0
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60575 26697213 1 SN2O3C19H24 AB2C3D19E24 -104.54 4.26 -8.75 -0.92 0
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60576 26697214 1 SN2O3C17H20 AB2C3D17E20 -87.76 6.1 -8.79 -0.93 0
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60577 26697216 1 SN2O4C20H20 AB2C4D20E20 -86.65 5.63 -8.81 -1.02 0
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60578 26697217 1 SN2O4C22H28 AB2C4D22E28 -134.19 7.32 -8.52 -0.88 0
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60579 26697218 1 SN2O4C19H22 AB2C4D19E22 -108.66 4.47 -8.62 -0.83 0
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60580 26697219 1 O3N5C17H19 A3B5C17D19 -77.16 4.81 -8.52 -0.84 0
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60581 26697221 1 SN4O5C21H26 AB4C5D21E26 -102.22 10.26 -8.72 -1.36 0
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60582 26697227 1 NSO2C19H21 ABC2D19E21 -50.65 0.42 -8.62 -0.52 0
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60583 26697228 1 SN2O2C20H24 AB2C2D20E24 -65.51 3.71 -8.62 -0.29 0
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60584 26697230 1 SN2O3C18H22 AB2C3D18E22 -99.2 1.96 -8.72 -0.78 0
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60585 26697231 1 SN4O4C26H26 AB4C4D26E26 -57.51 8.29 -8.94 -0.9 0
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60586 26697233 1 FSN2O3H19C21 ABC2D3E19F21 -100.86 3.73 -8.91 -1.29 0
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60587 26697234 2 NSO2C10H13 ABC2D10E13 -134.19 7.12 -8.47 -0.72 0
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60588 26697235 2 NSO2C10H13 ABC2D10E13 -134.99 7.23 -8.53 -0.71 0
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60589 26697236 1 NO3C19H23 AB3C19D23 -94.28 3.82 -8.53 0.09 0
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60590 26697237 1 NO3C19H23 AB3C19D23 -96.74 3.17 -8.26 0.06 0
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60591 26697239 1 N2O2C19H22 A2B2C19D22 -67.43 1.77 -8.78 -0.13 0
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60592 26697240 1 FN2O2C17H17 AB2C2D17E17 -94.13 3.1 -8.9 -0.59 0
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60593 26697245 1 N2O3C18H20 A2B3C18D20 -87.71 2.59 -8.81 -0.37 0
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60594 26697247 1 ClN2O2C19H21 AB2C2D19E21 -73.34 4.31 -8.95 -0.43 0
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60595 26697248 1 FN2O4H23C24 AB2C4D23E24 -140.04 2.88 -8.69 -0.78 0
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60596 26697249 1 N2O5C25H26 A2B5C25D26 -133.76 3.61 -8.62 -0.56 0
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60597 26697250 1 N2O5C26H28 A2B5C26D28 -137.5 3.38 -8.59 -0.47 0
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60598 26697251 1 N2O3C18H22 A2B3C18D22 -123.31 1.98 -8.61 -0.22 0
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60599 26697253 1 N2O3C22H28 A2B3C22D28 -130.82 4.77 -8.54 -0.41 0
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60600 26697256 1 SN2O4C21H26 AB2C4D21E26 -134.43 4.09 -8.8 -1.04 0
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60601 26697257 1 SN2O4C21H26 AB2C4D21E26 -134.73 6.41 -8.88 -1.16 0
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60602 26697258 1 SN2O4C21H26 AB2C4D21E26 -134.07 2.68 -8.8 -0.98 0
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60603 26697260 1 O2N3H21C24 A2B3C21D24 11.1 2.49 -8.72 -1.06 0
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60604 26697261 1 SN2O6C24H26 AB2C6D24E26 -185.46 7.76 -8.63 -0.94 0
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60605 26697262 1 SN2O6C24H26 AB2C6D24E26 -175.69 4.0 -8.41 -0.74 0
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60606 26697263 1 N2O3C20H24 A2B3C20D24 -108.4 5.87 -8.45 -0.33 1
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60607 26697264 1 ClSN3O3C21H27 ABC3D3E21F27 -68.66 7.41 0.0 0.0 0
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60608 26697270 1 FSN2O3H21C22 ABC2D3E21F22 -110.34 3.38 -8.8 -1.0 0
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60609 26697273 1 SN2O5C21H26 AB2C5D21E26 -166.8 9.44 -8.7 -0.79 0
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60610 26697274 1 SN3O5C21H25 AB3C5D21E25 -104.79 9.41 -8.86 -1.4 0
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60611 26697277 1 FSN2O3H19C21 ABC2D3E19F21 -98.68 7.26 -8.84 -1.18 0
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60612 26697279 1 SN3O6H21C22 AB3C6D21E22 -95.99 3.61 -8.73 -1.25 0
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60613 26697280 1 BrSN2O4C19H21 ABC2D4E19F21 -116.77 4.23 -8.82 -1.31 0
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60614 26697281 1 ClNSO2C16H16 ABCD2E16F16 -48.44 1.1 -8.68 -1.3 0
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60615 26697284 1 ClSN3O6H20C22 ABC3D6E20F22 -105.28 9.35 -8.87 -1.49 0
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60616 26697285 1 SN2O3C20H24 AB2C3D20E24 -89.79 6.26 -8.82 -1.08 0
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60617 26697286 1 ClFNOH13C15 ABCDE13F15 -61.18 2.85 -8.73 -0.96 0
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60618 26697290 1 NO4C20H21 AB4C20D21 -126.29 6.07 -8.41 -0.89 0
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60619 26697291 1 O2N3C19H19 A2B3C19D19 -21.51 1.92 -8.7 -1.06 0
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60620 26697292 1 SN2O5C22H28 AB2C5D22E28 -174.99 7.68 -8.67 -0.53 0
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60621 26697293 1 FSN2O4H21C22 ABC2D4E21F22 -137.9 2.44 -8.77 -1.18 0
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60622 26697296 1 SN2O4C22H22 AB2C4D22E22 -85.74 5.07 -8.7 -1.13 0
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60623 26697297 1 SN2O4C22H22 AB2C4D22E22 -90.84 6.75 -8.85 -1.17 0
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60624 26697299 1 ClSN2O2C20H23 ABC2D2E20F23 -64.33 2.95 -8.65 -0.78 0
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60625 26697300 1 ClSN2O2C20H23 ABC2D2E20F23 -66.48 3.97 -8.54 -0.86 0
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60626 26697301 1 N2O3C18H20 A2B3C18D20 -89.21 2.4 -8.67 -0.44 0
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60627 26697306 1 ClO2N3C18H20 AB2C3D18E20 -69.13 4.33 -8.56 -0.51 0
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60628 26697309 1 OSN2C18H18 ABC2D18E18 6.33 2.84 -8.67 -0.75 0
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60629 26697310 1 ClSN2O5C21H25 ABC2D5E21F25 -167.61 7.05 -8.58 -0.77 0
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60630 26697314 1 BrN2S2O3C16H23 AB2C2D3E16F23 -114.99 4.7 -8.76 -0.97 0
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60631 26697315 1 BrN2S2O3C16H23 AB2C2D3E16F23 -113.91 3.54 -8.97 -1.11 0
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60632 26697316 1 SN2O3C18H26 AB2C3D18E26 -127.63 6.48 -8.47 -0.61 0
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60633 26697317 1 SN2O3C18H26 AB2C3D18E26 -123.28 8.83 -8.38 -0.7 0
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60634 26697318 1 N2S2O3C16H24 A2B2C3D16E24 -117.79 2.96 -8.69 -0.72 0
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60635 26697320 1 SN2O2C18H26 AB2C2D18E26 -94.57 0.94 -8.57 -0.27 0
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60636 26697321 1 SN2O2C18H26 AB2C2D18E26 -96.38 3.02 -8.65 -0.45 0
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60637 26697322 1 Cl2N2S2O3C16H22 A2B2C2D3E16F22 -130.93 4.59 -8.73 -1.22 0
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60638 26697323 1 Cl2N2S2O3C16H22 A2B2C2D3E16F22 -129.77 2.51 -8.9 -1.34 0
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60639 26697326 1 ClSN2F3O3C15H18 ABC2D3E3F15G18 -286.79 5.04 -10.04 -1.39 0
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60640 26697328 1 BrNF2O2C15H16 ABC2D2E15F16 -164.9 3.99 -9.59 -1.08 0
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60641 26697329 1 NO4C16H21 AB4C16D21 -150.9 3.75 -8.98 -0.73 0
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60642 26697330 1 NO4C22H27 AB4C22D27 -129.75 4.22 -8.86 -0.31 0
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60643 26697332 1 SO2N4H22C23 AB2C4D22E23 -9.37 4.77 -8.48 -0.95 0
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60644 26697333 1 BrN2O2C14H17 AB2C2D14E17 -95.06 2.36 -9.34 -0.4 0
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60645 26697334 1 SN2F3O3C15H19 AB2C3D3E15F19 -273.7 8.21 -9.95 -1.07 0
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60646 26697335 1 ON3C16H17 AB3C16D17 20.37 4.15 -9.62 -1.38 0
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60647 26697336 1 F2N2O3C15H18 A2B2C3D15E18 -228.31 3.65 -9.75 -0.8 0
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60648 26697338 1 S2N3O5C21H31 A2B3C5D21E31 -200.03 4.91 -9.03 -1.03 0
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60649 26697339 1 S2N3O5C21H31 A2B3C5D21E31 -200.79 4.97 -8.96 -0.99 0
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60650 26697340 1 SBr2N2O3C17H22 AB2C2D3E17F22 -111.68 7.64 -8.91 -1.06 0