rk-random/PACT-Net

1smiles,boiling_point_K2Cc1ccc(CCO)cc1,517.53c1ccc2nc3ccccc3cc2c1,619.04COC(=O)C=C(C)C,409.55O=C1CCC(=O)N1,560.56C=C(C)[C@H](C)CCC,383.57CCCCCC(C)(C)C,405.78C=CCCCCCCCCCO,519.59CC(C)CC[N+](=O)[O-],436.510CCCCCCCC(=O)CC,476.011C=C(C)C(CC)CC,382.512C1=CCC2CC2C1,398.013O=C(Cl)/C=C/C(=O)Cl,432.014O=CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C=O,418.015Cc1cc2ccccc2o1,470.516Brc1sc(Br)c(Br)c1Br,599.017CCC(C)CBr,394.618C=CBr,288.819CCCCCCCCCCS,513.620CCC(C)(C)CC(C)(C)C,426.821CC(C)C(C)(C)C(C)(C)C,439.122Cc1coc(C)n1,381.023Cc1ccccc1C(=O)O,531.524CCOC(=O)C(C(C)=O)C(=O)c1cccs1,398.025CSCC(C)C,385.526CC(=O)C(C(C)=O)=C(C)O,476.427Cc1cc(O)c(C)c(O)c1,551.528CCCSc1ccccc1,493.029NC(=O)NC(N)=O,373.030CCCC(C)C(C)(C)O,433.031Cc1ccc(C=O)cc1C,499.032C=C(C)C(C)(C)CCCC,427.633CC(=O)CCCC(=O)O,547.534C=CC[C@@H](C)C(C)C,382.035Cc1cc(C)c(C)c(C)c1,471.036C/C=C/C=C(C)C,384.537CN(C)CCN(C)C,394.038Cc1nccnc1C,429.039CN1[C@H]2C[C@H]3C[C@@H]1[C@@H](O)[C@@H]2O3,521.040C=C(CC)C(C)CC,385.541CCCNCC,354.042C=CC(C)C(C)O,398.543CCCCCC1=CCCC1,452.044CCCCC1CO1,392.045CCC(C)C(C)CC,390.746Cc1ccc(N)cc1C,499.047FC(F)(F)C(F)(F)C(Cl)(Cl)Cl,347.048CCOCC1CO1,401.049CC(O)(CC(=O)O)C(F)(F)F,361.550C#CCN(C)C,353.551CC/C=C(\C)C(=O)O,487.052CCOC(=O)C(C(=O)OCC)C(=O)OCC,526.053CC(C)COC(C)OCC(C)C,444.354CCCCCNCCCCC,475.555Nc1ccc(-c2ccc(N)cc2)cc1,674.056C=C(C)CC(C)C,354.657FC(F)OC(F)C(F)(F)F,296.558ClCc1nc(-c2ccccc2)no1,416.059CSCCO,443.060CCc1cccc(C(C)C)c1,465.061O=[N+]([O-])c1cccc(Br)c1,529.062CCO[PH](=O)CSCC,502.463Nc1ccc(C(=O)O)cc1,580.764N#CCc1ccsc1,514.065Clc1ccc(C(Cl)(Cl)Cl)cc1,518.066Cc1cc([N+](=O)[O-])ccc1Cl,522.067O=[N+]([O-])c1ccc(O)cc1C(F)(F)F,409.568Clc1ccc(Cl)s1,435.069C=CCCCCC(C)C,412.0470CC(C)c1cccc2ccccc12,541.071CCC(C)C(=O)O,449.572CC(C)(C)CBr,379.073O=[N+]([O-])c1ccccc1CO,543.074CC(C)=CCC/C(C)=C\C(=O)O,523.075N#Cc1ccc(Cl)cc1,496.076CC(C)[C@H](O)c1ccccc1,496.077CC(=O)CCc1ccccc1,509.078Cc1cccc(O)c1O,514.079CNCc1ccnc(N2CCSCC2)c1,418.080FC(Cl)Br,309.081CC(C)CC(=O)OCc1ccccc1,518.082CC([N+](=O)[O-])[N+](=O)[O-],458.583C1=CCCCCCCCCCC1,511.584CNc1cccc2ccccc12,567.585C=C(C)C=C(C)C,367.086CCCCCOC=O,403.487CC(C)(Cl)CCCl,419.788CCCCCCCC(C)O,466.589CCCOC(=O)c1ccccc1C(=O)OCCC,590.590FC(F)(F)C(Cl)(Cl)C(Cl)(Cl)C(F)(F)F,404.091CC(C)(C)OOC(=O)c1ccccc1,348.592CCN(CC)P(Cl)N(CC)CC,329.093Cn1c(=S)sc2ccccc21,608.094BrCC(Br)Br,461.995CCn1cccc1,402.596OCc1ccccc1F,473.097C[C@H](N)[C@H](O)c1cccc(O)c1,491.098FC(F)C(F)(F)OCC(F)(F)C(F)(F)F,341.099O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F,491.0100COC=CC(=O)OC,442.0101COc1ccc(CCCl)cc1,399.5102COP(Cl)Cl,366.0103O=C1C2CC3C(C2)C13,458.0104ClC(Cl)=C(Cl)C(Cl)(Cl)Cl,482.5105COc1ccc(CN2CCNCC2)cc1,418.0106CC(C)(C)N=C=S,416.0107CCc1ccc([N+](=O)[O-])cc1,518.5108CCC(=O)c1ccc2ccccc2c1,586.0109OC(CBr)C(F)(F)F,398.0110CC(=O)OC1CCCC1,501.0111CCN(CC)C(=O)N(CC)CC,482.0112C=CCCC(C)(C)C,377.0113OCCCC(Cl)(Cl)CO,392.0114CCBr,311.5115CC1(N)CCCC1,394.0116C/C(CCC(C)C)=N/O,468.5117C=C(C)C(=O)CC,391.5118COC(C)(C)CC(C)=O,433.0119NCCc1ccccc1,467.5120Brc1ccc2ncccc2c1,554.0121Cc1cc(C)ncn1,427.0122CCOP(=O)(Cc1ccc([N+](=O)[O-])cc1)OCC,424.0123CC(C)OC(=O)C(=O)OC(C)C,464.0124CCCCOC(C)C,382.0125CC(=O)CO,418.5126CC1CCCC(C)(C)C1,409.6127CC(O)C(F)(F)F,348.5128Cc1ccc(N=C=S)c(Cl)c1,358.0129Cc1ccc(OC(=O)c2ccccc2)cc1,589.0130CCc1cccc(O)c1,487.0131CCc1ccsc1,413.0132CCCC=CC(=O)O,490.0133CC(=O)N1CCC(C#N)CC1,413.0134O=[N+]([O-])c1ccccc1OCCCBr,404.5135CCN(CC)[N+](=O)[O-],479.5136CCOC(=O)C1(C(=O)OCC)CCC1,497.0137CCCCCC(O)CCC,465.65138C1=COCCO1,367.1139CC1=C(C)CCC1,378.8140CCCSCC,391.6141COC(=O)CP(=O)(OC)OC,391.0142Clc1cccc2ccccc12,532.0143CCC(CC)c1ccccc1,460.5144c1ccc(-c2cccnc2)cc1,545.0145CCC(O)COS(=O)(=O)c1ccc(C)cc1,523.0146CCOC(OCC)(OCC)c1ccccc1,513.0147COc1cc(Cl)c(Cl)cc1Cl,527.0148CC1(c2ccccc2)CCOCO1,529.0149N#Cc1ccc2ccccc2c1,579.5150Cc1ccccc1CCO,516.5151OCCCl,402.0152Nc1ccccc1-c1ccccc1,572.0153O=C(O)C(F)(F)C(F)F,407.0154COc1ccccc1N(C)C,483.0155NCC(F)(F)C(F)(F)F,322.0156c1cc2ccc3ccc4ccc5cccc6c(c1)c2c3c4c56,773.0157C#CC(C)(C)N,352.5158CN1CCN(c2ccc(N=C=O)cc2)CC1,418.0159CC1CCCS1,407.0160N#CC(F)(Cl)Cl,306.0161Cc1cccc(C)c1N=C=S,520.0162C/C=C(/C)c1ccccc1,467.7163O=C(O)C1=CCCc2ccccc21,579.0164OCC(O)CCl,486.0165CC(N)C(C)(C)C,375.5166COC(=O)C(OC)OC,434.5167C=C(C)C(=O)OC(C(F)(F)F)C(F)(F)F,372.0168CC[C@H](O)[C@H](C)O,460.5169CC=CCCC,341.5170CCOC(=O)C(C)[N+](=O)[O-],463.5171CN(C)c1cccc([N+](=O)[O-])c1,555.5172C#CC(OCC)OCC,411.0173O=C1C=CC=CC1=C1Nc2ccccc2O1,611.0174CCCCCC[N+](=O)[O-],466.0175C1CCOCC1,361.0176O=C1OCCC1C(F)(F)F,323.0177CCOC(=O)CC(C(=O)OCC)C(=O)OCC,372.0178CCC/C=C\CCCCC,443.83179CCCCCCOCC,416.0180C=C1C(=O)OC2CC3(C)CCCC(C)C3=CC12,548.0181Cc1ccc(C)c(CO)c1,506.0182F/C(=C(\F)C(F)(F)F)C(F)(F)F,274.5183CCOC(=O)C1CCN(Cc2cccnc2)CC1,440.0184OCC(O)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,403.0185C[C@H]1CCC[C@@H](O)C1,441.0186FC(F)(Cl)C(F)(F)Cl,276.8187COc1c(Cl)cc(Cl)cc1Cl,514.0188FC(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F,314.0189Fc1ccc(F)c(Cl)c1,402.5190CCCCCCCC(=O)c1ccccc1,560.5191CCOP(=O)(OCC)C(F)(F)Br,355.0192CC/C=C/CC(C)C,387.13193FC(F)(F)C(F)(F)N(C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F,343.3194CN=C=O,311.3195Cc1cccc(C)n1,417.0196Fc1cccc2[nH]ccc12,363.0197O=C(CCl)c1ccccc1,517.5198Cc1ccc(C)c(C)n1,444.6199CCOCCOCC,394.0200CC(C)CCC(CO)C(C)C,484.0201N#[N+]N=P([O-])(Oc1ccccc1)Oc1ccccc1,430.0202OCc1cccc2c1OCO2,397.5203CCC(C)COC,363.0204CC(C)=C(C)Cl,369.0205N#Cc1cccc(C=O)c1,482.5206CCCCCCC(O)CC,468.15207CN(C)C(=O)C(F)(F)F,406.0208CC/C(C)=C(\C)CC,395.15209C=CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,419.5210ClCCSCCCl,489.0211C=CC(F)(F)Br,315.0212CNC(=O)Oc1cccc2ccccc12,588.0213C/C=C/C(CC)CC,386.15214Oc1ccc(O)cc1,559.0215CCCCCCCOC(=O)CCCC,518.2216Cc1ccc2ncccc2c1,532.0217O=C(O)CS,493.0218C=C1CC=C(C(C)C)CC1,446.5219C=C(C)CC(C)(C)CC(C)(C)C,464.05220Cc1nc2ccc(-c3ccccc3)cc2s1,467.7221FCC(F)(F)F,247.0222CCOP(=O)(SC(C)CC)N1CCSC1=O,471.0223C=C(C)C1CC=C(C)C(=O)C1,504.0224CC(=O)C(C)(C)C,379.0225FCCBr,344.5226NC(=O)CCl,497.5227CCCCC=CCCCCC,465.17228Fc1ccc(F)c(F)c1F,368.0229FC(Cl)Cl,281.9230O=C=Nc1ccc(F)cc1C(F)(F)F,325.0231Nc1cc(Cl)ccc1Cl,524.0232CCOc1cccc(N)c1,521.0233CCCCCC[C@H](O)CCCC,502.0234CCOC(=O)c1ccc(OC)c(OC)c1,568.5235O=C(O)C(F)(F)C(F)(F)F,369.5236CC(=O)C(C)(C)C(C)=O,446.0237O=C(Cl)c1ccc(F)cc1C(F)(F)F,430.0238COc1ccc(CN=C=O)cc1,363.0239CCC(O)CC(C)C,421.15240C=C(C)[C@@H]1CC=C(C)CC1,449.0241O=C1CCC(=O)O1,534.0242CCC(CC)C(C)C(C)C,435.0243C#CCCC(C)=O,422.0244CCOC(CCCN)OCC,469.0245CC1=CCC2CC1OC2(C)C,456.5246CCOC(=O)OC(C)Cl,419.0247Cc1cccnc1Cl,465.5248CCCc1ccccc1O,498.0249O=C(C=Cc1ccccc1)OCc1ccccc1,623.0250CCN1CCN(CC)CC1,430.0251Cc1ccc[nH]c1=O,562.0252C[C@@H]1C[C@H](O)CC(C)(C)C1,475.0253CC(CO)N(C)C,423.3254CC(C)N(C)C,339.0255C#CC(C)O,382.5256O=C(Oc1ccccc1)c1ccccc1,571.5257FC(F)=C(C(F)(F)F)C(F)(F)F,273.5258CCCCC(CC)C(C)C,436.0259C=CC(C)CCCC(C)C,427.0260ClC1C(Cl)C(Cl)C(Cl)C(Cl)C1Cl,596.4261CCC[C@@H]1CCCCC1=O,470.0262CCOC(=O)/C(=C/c1ccccc1)C(C)=O,569.0263CCC(CC)Nc1c([N+](=O)[O-])cc(C)c(C)c1[N+](=O)[O-],603.0264O=C(O)C/C=C/c1ccccc1,575.0265CCCCC1CCCCC1,454.0266CCC[C@H]1CCC[C@H](C)C1,437.5267Cc1ccccc1CCl,471.0268Cc1cc(C)c2ncccc2c1,541.5269N#CC=Cc1ccccc1,527.5270N#CCc1ccc(Cl)cc1,539.0271CCCCCCC(=O)O,496.2272CCOCCl,356.0273CCCc1ccccc1N=C=O,323.0274CCOC(=O)C1OC1C,446.0275c1ccc(-c2cccc(-c3ccccc3)n2)cc1,670.0276Cc1cc(=O)cc(C)o1,522.0277CCC(=O)Cl,351.0278C/C=C/C(O)CCCC,448.0279Cc1ccnc(C)c1,432.0280C=C(C)C1CCC(C)CC1OC(C)=O,505.0281COc1ccc(N)cc1,514.5282C/C=C/OCC,344.5283c1ccc(OCCN2CCNCC2)cc1,393.0284O=C(/C=C/c1ccccc1)c1ccccc1,619.5285c1cc2ccc3ccc4ccc5ccc6ccc1c1c2c3c4c5c61,798.0286CCCC(C)O[N+](=O)[O-],417.0287CC1CCOC1,359.5288C=CC(C)(CC)CC,383.7289Brc1cc(Br)cc(Br)c1,544.0290Clc1cccnc1,421.5291Cc1cc(O)c(C(C)(C)C)cc1C(C)(C)C,555.0292CC(=O)Oc1cc(C(C)C)ccc1C,519.5293CN(C(=O)N(C)c1ccccc1)c1ccccc1,623.0294C=CCOC(=O)CCC,415.0295CCc1sccc1C,434.0296CCC(Br)CC,391.6297CCCCP(CCCC)CCCC,514.0298CCOC(=O)CNc1ccccc1,546.5299CCCN1CCCCC1,424.5300CC(=O)OC1C=COC(C)C1OC(C)=O,341.5301COCC(C)O,391.5302CCC(C(C)O)[N+](=O)[O-],333.0303O=COCC=Cc1ccccc1,525.0304C=CCc1cc(C)ccc1O,510.0305O=C(O)[C@H](F)Cl,435.0306CCN(CC)CCC[C@H](C)N,474.0307O=C(C(F)(F)F)C(Cl)(Cl)Cl,360.5308FC(F)(F)Oc1ccc(Cl)cc1,416.5309CCC(=O)c1ccc(C(F)(F)F)cc1,489.0310COc1c(C)cccc1C,455.0311CCOP(=O)(CSc1ccccc1)OCC,420.0312CNCc1ccccc1OCCCN(C)C,367.0313CCCCC[C@@H](C)CCC,438.7314CCC(C)(O)CCCC(C)C,466.0315N#Cc1ccccc1CCl,525.0316CC(C(=O)O)(c1ccccc1)c1ccccc1,573.0317CP(C)(=O)Cl,477.0318C#CCOC(=O)[C@@H](C)Oc1ccc(Oc2ncc(Cl)cc2F)cc1,373.6319NC1CCC(N)CC1,470.0320O=NN1CCOCC1,498.0321ClC1=C(Cl)C(Cl)(Cl)C(Cl)(Cl)C1(Cl)Cl,556.0322Cc1n[nH]c(C)c1Cl,494.0323CCC(C)(CC(=O)O)CC(=O)O,534.0324C1CC[C@@H]2C[C@@H]2C1,389.5325CC(=O)OC(C)(C)C,371.0326CC(=O)OCCCCl,437.0327NCC1CCC(CN)CC1,515.5328FC(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)C(F)(F)F,331.4329Oc1cccc(Nc2ccccc2)c1,613.0330COc1ccccc1Br,489.0331C=CCCC1CO1,392.5332CCOC(=O)C(C)(C)C(=O)OCC,465.0333Cc1cc(Br)ccc1Br,509.0334CCOc1cc(C=O)ccc1O,567.0335CCNC(=O)NCC,536.0336CCOP(=S)(OCC)Oc1cnccn1,353.0337c1ccc2c(c1)Cc1ccccc1-2,571.0338CC12CCC(CC1)C(C)(C)O2,449.5339C#CCCl,331.0340COC1CCCCCCCCCCC1,543.7341CC(C)C(=O)Cl,365.0342COC(OC)C(=O)C=CN(C)C,383.0343CCCCCCC(O)CCO,396.0344O=C(c1ccccc1)N1CCNCC1,418.0345CCOc1cc(COC)ccc1O,555.4346CC(=O)c1ccccc1C,487.0347CCCCOCCOCCO,504.0348BrCC(Br)CBr,495.1349CCOC(CNc1ccc(F)cc1)OCC,377.0350Cc1cc(O)c(Cl)cc1Cl,507.0351CCC(C)CCCC(C)C,433.4352OCCNc1ccccc1,557.5353CC(=O)CC(=O)C(F)F,405.5354CC/C=C\CCCCC,421.09355c1ccc2c(c1)CCC2,449.0356O=C(c1c(F)c(F)c(F)c(F)c1F)C(F)(F)F,403.5357C=C(c1ccccc1)c1ccccc1,543.5358CCCCCC(=O)OCC,441.0359CC(Br)(Br)CBr,463.5360OCC(Cl)CCl,455.0361CC(=O)OCC(C)OC(C)=O,463.5362C=CCF,270.0363C/C=C(\C)Cl,337.5364C#CC(=O)OC,372.5365CC[C@@H]1CCC[C@H]1C,394.2366Cc1cc[nH]c1,416.0367ClC1=C(Cl)C2(Cl)C3C4CC(C5OC45)C3C1(Cl)C2(Cl)Cl,603.0368CCS(=O)(=O)Cl,450.0369O=C(OOC(=O)c1ccccc1)c1ccccc1,601.6370c1ccc(Sc2ccccc2)cc1,569.0371Cc1c[nH]c(C)c1,439.0372OCC(F)(F)C(F)(F)C(F)(F)C(F)F,413.5373Nc1ccccc1S,507.0374CCC(=O)c1ccc(C)cc1,511.5375C#CC(C)(O)CC(C)C,423.5376Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-],573.0377C/C=C(\C)C(C)(C)C,385.0378FC(=C(F)C(F)(C(F)(F)F)C(F)(F)F)C(F)(F)F,322.0379CC(Br)CCl,391.0380CC1CC(=O)OC1=O,512.0381COC(=O)CCCl,429.0382O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F,465.0383Cc1c(Cl)cccc1[N+](=O)[O-],511.0384NCCCCCN,452.0385Cc1cc(O)ccc1O,545.0386CCC(=O)C(C)=O,384.0387CC(C)C(O)C(C)(C)C,423.5388CCCCCc1ccc(O)cc1,615.0389c1ccc(Cc2ccc3ccccc3c2)cc1,623.0390CCCCCC(=O)CCCCC,501.0391CCCC(C)CCC,390.7392O=C(O)C(F)(F)Br,407.0393C=CC(=O)OCCO,485.5394CCCC[C@H](O)C(=O)O,578.0395FC(F)(F)S(F)(F)(F)(F)F,252.0396Fc1ccc(OCC2CO2)cc1,352.0397Clc1cc(Cl)c2ccccc2c1,564.0398CCC(=O)CC(C)C,408.0399Cc1ccccc1Br,454.7400CC(O)C(=O)c1ccccc1,524.0401COc1ccc(C)cc1N=C=S,403.0402C1CN(CCN2CCOCC2)CCO1,558.0403CC/C=C/CCCCCC,444.55404Fc1nc(F)nc(F)n1,345.4405ClCC(Cl)(CCl)CCl,484.0406CC1OC1C,333.5407O=C(Cl)c1ccccc1Cl,511.0408O=C(O)c1ccccc1,522.0409CCC(Cc1ccccc1)c1ccccc1,563.0410CCCCCCCCCC=O,481.0411COC1C=CC(OC)O1,434.0412CCCCC(=O)c1ccc(C)cc1,528.5413ClCc1ccccc1,452.0414CCC(=O)c1cccc(C)c1,508.0415CC(C)C1COC2(C)CCC(=O)N12,355.0416CCNc1ccc(C)cc1,490.0417c1ccc(-c2noc(-c3ccccc3)n2)cc1,563.0418c1ccc(N(c2ccccc2)c2ccccc2)cc1,620.5419Cc1ccccc1N=C=O,458.0420FC(F)(F)CBr,299.0421CC(F)F,248.1422CC/C=C(/C)CCC,395.15423O=C(Cc1ccccc1)c1ccccc1,593.0424ClC1=CCCCC1,415.5425Cc1ccc(S(=O)(=O)OCC(F)(F)C(F)F)cc1,408.0426OCC1CCCN2CCCCC12,543.0427CC1=CC(=O)CCC1,472.5428C=CC(=O)OCC(CO)(COC(=O)C=C)COC(=O)C=C,483.0429CCOC(=O)CCCCCCC(=O)OCC,555.0430[C-]#[N+]C,332.6431O=C(OCc1ccccc1)c1ccccc1,596.5432C=CCCCCC(=O)O,499.0433CC1CCCC2(C)CCCCC12O,543.0434Cc1ccc(O)c(C)c1C,509.0435CCc1ccccc1Br,472.3436CCOCC,307.6437CCCCOC(=O)NC,493.0438OC(c1ccccc1)c1ccccc1,570.5439CNCc1cccc(Oc2ccccn2)c1,443.0440CCCC(=O)OC(C(Cl)(Cl)Cl)P(=O)(OC)OC,653.0441Cc1ccc([N+](=O)[O-])cc1C,529.0442O=C(Oc1ccccc1)Oc1ccccc1,574.5443C=C(C)c1cccc(C(C)(C)N=C=O)c1,542.5444COc1cc(Cl)ccc1N,533.0445C1CCC(C2CCCCC2)CC1,500.0446Oc1ccc(F)cc1Cl,444.5447Cc1ccc(C)c(CN)c1,498.5448CNC=O,473.0449CCCCOC,343.1450CC1CCC(C)(C)C1,377.9451CCNCCC#N,426.0452CCCCC(=O)OC,399.0453OC1CCCCCCCCCCC1,545.7454FC1=C(F)C(F)(F)C1(F)F,278.5455CCNc1ccc(OC(F)(F)F)cc1,316.0456C=CCCCCl,378.0457COc1ccc(/N=N/c2ccccc2)cc1,613.0458CC(Br)C(=O)C(F)(F)F,365.0459O=[N+]([O-])c1cccs1,497.5460CCCc1ccc(OC)cc1,484.5461O=C=Nc1ccccc1N1CCCCC1,393.0462Cc1cccnc1C,434.0463CNCc1ccc(OCCN2CCOCC2)cc1,415.0464c1ccc2c(c1)c1ccccc1c1ccccc21,711.0465Cc1cccc2ccc(Cl)nc12,560.0466FC(CC(F)(F)F)C(F)(F)F,301.2467CCO[PH](=O)OCC,333.0468COc1cccc(C)c1C,468.0469CCOCCO,408.0470C/C=C(\C)C(C)CC,389.15471COC(CC#N)OC,468.0472CC(C)O[P@@](C)(=O)F,420.0473CCOC(=O)CSCSCC(=O)OCC,431.0474COP(=S)(OC)Oc1nc(Cl)c(Cl)cc1Cl,633.0475CCC[C@H](CC)c1ccccc1,482.0476O=CC(Cl)(Cl)Cl,370.8477Fc1c(F)c(F)c(Cl)c(F)c1F,390.9478C#CCCCC,344.5479COC(=O)CC12CC3CC(CC(C3)C1)C2,359.0480Cc1ccsc1C1=NOC(C)(COCc2c(F)cccc2F)C1,675.7481FC(F)OCC(F)(F)C(F)C(F)(F)F,345.5482COc1ccc(CO)cc1,532.0483O=Cc1ccc(Cl)c(Cl)c1,520.5484OC(c1ccccc1)c1c(F)c(F)c(F)c(F)c1F,389.0485C1CCC2NCCC2C1,458.5486Clc1ccc(-c2cc[nH]n2)cc1,427.0487Oc1cc(Br)cc(Br)c1,547.0488CCOC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,394.0489CCC(C)[N+](=O)[O-],412.5490CC/C=C(\C)CCC,394.0491Nc1cccc(C(F)(F)F)c1,460.0492CC[C@H](C)CC(C)C,382.5493C=Cc1ccccc1CC,460.3494CCOc1cc(Cl)c(N)c(Cl)c1,548.0495COc1ccccn1,415.0496Cc1cccc(CN)c1,476.5497C=CCOC(=O)C(F)(F)F,339.5498CC(Cl)(Cl)C(=O)Cl,391.0499COCC(=O)Cl,385.5500Cc1ccccc1-c1ccccc1,528.3501FCC(F)(F)C(F)F,299.0502O=[N+]([O-])c1cc(F)cc(F)c1,449.5503CSC(=O)c1cccc2nnsc12,540.0504CC1CCCN1,372.0505N#CC(O)c1ccccc1,443.0506CCc1cccc(C)c1C,467.0507C[C@@H]1C=C2[C@@H](CC1)C2(C)C,441.0508Fc1cccc(Cl)c1CN1CCCNCC1,376.0509CCCC(CC)(CC)CO,465.15510CCCc1nccnc1C,463.0511CC(=O)N1CCCCC1,499.5512CCN(C#N)CC,460.0513ClC1=C(Cl)C2(Cl)C3C(Cl)C=CC3C1(Cl)C2(Cl)Cl,583.0514CCCCCCCCS(=O)(=O)Cl,348.0515Cc1ccc(N)cc1Cl,510.5516CCC(C)(CC)C(C)(C)C,442.5517OCCF,376.5518C=CCCCC(C)C,386.2519CC[C@@H]1CCC[C@@H]1C,401.0520CCOC(C)C(=O)C(O)O,418.0521Cc1ccc(Cl)cc1Cl,473.0522CC1(C)C(=O)Nc2ccccc21,573.0523C=CCOCCO,431.5524COC(CC(C)=O)OC,451.0525COCC(=O)c1ccccc1,518.0526CCC(Br)C(C)Br,451.0527O=C(C(Cl)Cl)C(Cl)Cl,456.0528CC1=CC(=O)C(C(C)C)=CC1=O,504.0529Brc1ccc2cccnc2c1,563.0530CCCCC1CCC(=O)O1,507.0531C=C(C)C(C)(C)C(C)(C)C,431.9532Cc1cccc(N)n1,481.5533O=C=Nc1ccc(Br)cc1,499.0534c1csc(-c2ccc(-c3cccs3)s2)c1,433.0535CCOC(=O)Cc1ccccc1,499.0536N#CCCc1ccc(Cl)cc1,393.0537CCOC(=O)C1CCCCC1,469.0538CC(N)CCCC(C)(C)O,388.0539O=C=Nc1cc(C(F)(F)F)ccc1F,326.0540C1CCC2NC2C1,423.0541CCCCCCCCCCCC,489.0542c1ccc2c(c1)-c1cccc3cccc-2c13,657.0543COc1cccc(OC)c1C#N,583.0544C1C2C3C2C2C1C32,385.0545O=S(=O)(Cl)c1cc(F)c(F)c(F)c1,349.5546CCCCC#Cc1ccc(C=O)cc1,379.0547O=C(Cl)c1ccco1,446.5548OC(CCl)CCl,447.0549c1ccc2cc(Nc3ccc4ccccc4c3)ccc2c1,744.0550CCNC=O,471.0551CC/C=C/C(C)C,358.9552C=C(C)C(C)Cl,367.0553Clc1ccc(Oc2ccc(Cl)cc2)cc1,585.0554CC(F)(F)C(F)(F)F,255.6555O=[N+]([O-])c1ccc(Oc2ccc(Cl)cc2Cl)cc1,641.0556C=C(Cl)C#N,361.5557CC(Cl)C[N+](=O)[O-],445.0558NCc1c(Cl)cccc1Oc1ccccc1,398.0559O=C(O)c1ccc(O)cc1,571.0560COC1CC2CC1C1CC(C=O)CC21,550.5561CCCCCCC(C)N,438.0562C=CCC(C)C,326.9563CC(C)OC(=O)/C=C/C(=O)OC(C)C,553.0564CCCC(OC)(OC)OC,415.0565CCCCCCCCCCC(C)=O,520.0566CCCc1ccccc1C,458.0567C[C@@H]1CCCC1=O,412.5568CCOC(=O)C(C)N=C=S,317.0569COc1ccc(Cl)cc1N,408.0570CC(C)OP(C)(=O)OC(C)(C)C#N,382.0571CCCC1CC1,342.1572C=Cc1ccc(C)nc1,454.0573C=C1C2CCC(C2)C1(C)C,433.0574C#CCCCC#N,389.0575c1ccc2c(c1)cc1ccc3cccc4ccc2c1c34,768.0576COC(=O)c1ccccc1C(=O)OC,555.0577CCCCCCC(Cl)(Cl)C(=O)O,367.5578CC(C)(C)c1ccc(N)c(Cl)c1,357.5579FC(F)(F)C(F)(Cl)C(Cl)(Cl)C(F)(F)F,371.0580CCCCCCCCC(C)=O,484.0581CC(C)CC(O)CC(C)C,451.6582C=C(C)C(C)CCC,383.5583C=C(C)CCCCCC,417.8584Cc1cc(Cl)cc(Cl)c1Cl,503.0585CCC1COC(C)=N1,385.5586CCOC(=O)C(C#N)c1ccccc1,548.0587CC(C)[C@H]1CC[C@@H](C)CC1=O,477.0588CC(O)C#N,456.0589CCN(N)c1ccccc1,510.0590Nc1ccc(O)cc1,557.0591CSc1ccc(N)cc1,545.5592c1ccc2sccc2c1,494.5593COc1ccc(OC)c(Cl)c1,520.0594CC(F)(F)C(=O)O,415.0595CCOc1ccc(Cl)cc1Cl,510.0596c1cc(N2CCCC2)ccn1,445.0597Cc1cc(C)c(Cl)c(C)c1Cl,516.0598Brc1ccc(-c2ccc(Br)cc2)cc1,630.5599CCCCCCCCCC(C)C=O,444.0600CCC1CCNCC1,427.0601FC(F)(F)C=C(Br)C(F)(F)F,328.0602CCOC(=O)CCC(C)C,436.0603C[C@@H](N)CCN,412.5604O=C(Cl)c1cccc(Cl)c1,497.0605CNC(=O)Oc1cccc(C)c1,515.0606CCN(CC)C(=O)c1cccnc1,571.0607C=CCOC(Cn1ccnc1)c1ccc(Cl)cc1Cl,620.0608CCCCCCC(C)(C)O,451.0609CCOC(=O)c1cc2ccccc2o1,549.0610CC(Br)C(C)(Br)Br,479.0611CC(C)(F)F,272.6612CC(C)(C)CN,355.0613CN1CCC(O)CC1,473.0614FC(F)=C(Cl)C(F)(F)F,279.8615C=CCC(O)c1ccccc1,507.0616C=C(CCC)CCC,390.7617CCCC[C@@H]1CCC(=O)O1,507.0618CC1CC(O)CC(C)(C)C1,469.5619C=COC(C)=O,345.5620CCCCc1cccc(CCCC)c1O,526.15621C[C@H](CO)N(C)C,423.3622C/C=C(\C)CCl,383.0623C=CCCO,386.0624ClC1CCCCC1,415.0625CCCc1ccccc1,431.0626C=CC(CC)C(C)C,380.65627C=C(C)C(=O)OC1CC2CCC1(C)C2(C)C,518.0628c1ccc2c(c1)Sc1ccccc1S2,638.0629CCCC(C)c1ccccc1,472.0630C=C1C=CC(C(C)C)CC1,444.5631C=C=O,223.2632S=C=Nc1ccccc1Cl,404.0633O=[N+]([O-])OCC(CCl)O[N+](=O)[O-],465.5634OCc1csc2ccccc12,346.0635O=C(Cl)CCl,378.0636COC(=O)C[N+](=O)[O-],469.5637CCCCC(C)C(C)CC,436.4638Nc1ccccn1,480.0639O=C(F)C(F)(F)C(F)(F)C(=O)F,305.5640C[N+](=O)[O-],374.0641C=Cc1cccnc1,435.0642CC(C)(O)Cc1ccccc1,377.0643CC=CC(=O)OCC,415.5644O=Cc1cc(C(F)(F)F)ccc1F,449.0645OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,434.0646C=CC(=O)OCC(F)(F)F,365.0647c1ccc(CC2CCNCC2)cc1,552.0648COCC(C)OCC(C)OC(C)CO,515.4649CCOC(=O)CC#N,482.0650Oc1cccc(Cl)c1Cl,487.0651CCCCCCC(=O)CCC,479.5652CC(CO)CO,468.0653CC[C@H](C)OC(C)=O,385.0654CCOC(C)OCC,376.0655CP(O)O,435.6656Cl/C=C/Br,357.6657COc1ccc(C(c2ccc(OC)cc2)C(Cl)(Cl)Cl)cc1,619.0658CCCCCC/C=N/O,468.0659FC(F)(F)c1cccc(N=C=S)c1,480.0660CC(C)CN(C)C,353.5661CC=Cc1ccc(O)c(OC)c1,539.0662NC(=O)c1ccccc1N,573.0663Cl/C=C\Cl,333.1664C=CCCCc1ccccc1,474.0665CCCC(O)C(CC)CO,516.0666CC(=O)C1(O)CCCCC1,398.5667CCC/C=C/C=O,419.5668CCCCOc1ccccc1,483.2669OCc1cccc(N2CCCCC2)n1,392.0670O=S(=O)(O)C(F)(F)C(F)(F)F,451.0671COc1cc(C)cc(C)c1C,487.5672CCC(=O)CCC(C)C,437.0673CCCCCCBr,429.0674c1cncc([C@@H]2CCCN2)c1,543.0675c1c[nH]nn1,477.0676CC(C)C[C@H](O)C(C)C,430.5677CC=C(C)C(=O)O,471.4678COc1ccc(Cl)cc1N=C=S,437.5679CCCC(CC)(CC)CC,439.3680CC(C)C(C)C(C)C(C)C,429.2681Nc1c(F)c(F)c(F)c(F)c1F,426.0682Clc1ccc2ncccc2c1,536.0683FC(F)(F)c1ccc(Cl)cc1,411.5684FC(F)CBr,330.3685COc1ccc(C(=O)O)cc1,548.0686O=C(O)C1CC=CCC1,507.5687CCCCC/C(C=O)=C/c1ccccc1,577.8688OC/C=C/c1ccccc1,523.0689O=[N+]([O-])c1cccc([N+](=O)[O-])c1Cl,588.0690CCc1ccc(Cl)cc1,457.4691Brc1cccnc1,446.0692O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,476.4693c1ccc2c(c1)-c1ccc3ccc4cccc5cc-2c1c3c45,809.0694O=C1CCC(=O)N1c1ccccc1,673.0695CCCCCCCC(C)=O,462.0696CC(=O)CBr,411.0697O=C(OC(=O)C(F)(F)F)C(F)(F)F,312.5698Cc1ccc(O)c(C(C)(C)C)c1,510.0699O=C(O)C1CCCCCC1,532.0700CCC(C)c1ccc(N)cc1,511.0701Oc1ccc(Cl)cc1,493.0702C/C=C\CCCCCC,423.91703Fc1cccc(CCl)c1,344.0704CCOC(=O)C(Cl)C(=O)OCC,495.0705Cc1ccoc1,338.5706OCc1ccsc1,360.0707O=[N+]([O-])c1ccc(CBr)cc1,554.7708CC(C)C(=O)OC(=O)C(C)C,455.0709O=C=Nc1ccccc1F,330.0710CN(C)c1ccc(N)cc1,536.0711CCC(=O)Cc1ccccc1,503.0712C/C=C/CCC,341.0713CCOC(=O)c1ccc(CCl)o1,388.0714CCOC(=O)c1cnc(C(F)(F)F)nc1Cl,368.0715CC(=O)c1cccc2ccccc12,575.0716CC(C)=CCC/C(C)=C/C(=O)O,523.0717FC(Cl)=C(Cl)Cl,344.0718N#CCCl,398.0719CCCC(O)CC,407.9720CCOC(=O)C(Br)Br,467.0721c1ccc(CCN2CCNCC2)cc1,368.0722c1ccc2c(c1)Cc1ccccc1S2,614.0723CC/C=C\Br,372.0724ClCc1cc(Cl)c(Cl)cc1Cl,546.0725Nc1c(Br)cc(Br)cc1C(F)(F)F,331.0726C/C=C\C(CC)CC,386.15727OCC1CCCCO1,460.0728FC(F)(F)/C(Cl)=C\Cl,326.7729Brc1ccc2c3c(cccc13)CC2,608.0730Cn1cc(Br)c(C(F)(F)F)n1,327.0731c1cc2c(c3c1CCCC3)CCCC2,568.0732CCC[C@H](CC)C(C)(C)C,429.1733c1ccc2c(c1)oc1ccccc12,558.0734O=C(O)CBr,481.0735CC1(C)[C@H]2CC=C(CCO)[C@@H]1C2,508.0736CCOC(CCN)OCC,345.0737CCCCCC(CO)CCC,490.5738O=C(Cl)C(Cl)Cl,380.5739CCS(=O)(=O)C(C)(C)S(=O)(=O)CC,573.0740CC1CC1CO,406.0741C=C[N+](=O)[O-],371.5742O=C(O)C(F)(F)Cl,395.0743CCOC(CNCc1cccs1)OCC,380.0744Br/C=C\Br,385.5745CCOC(=O)C(C)OS(C)(=O)=O,377.0746CC(C)CN=C=O,379.0747C=CCC(C(=O)OCC)C(=O)OCC,495.5748CC(C)([N+](=O)[O-])[N+](=O)[O-],458.0749FC(F)(F)/C(Cl)=C(\Cl)C(F)(F)F,341.5750CCOC(=O)c1ccc(Cl)cc1,510.5751CC(C)c1ccc(CO)cc1,521.0752CC1C=CC2C(C1)C2(C)C,442.0753CCCc1nnc(CCC)n1N,453.0754Cc1ccc(N)c(C)c1,491.0755Cl/C=C(\Cl)CCl,415.0756N#CCC#N,493.0757CCCCCC(C)=C(C)C,442.3758CC(=O)CC(C)(C)O,439.0759C[C@@H]1CS1,345.5760Fc1cc(F)c(F)c(Br)c1F,416.0761CC(C)CCCC(C)CCO,485.5762CC(C#N)CCC#N,536.0763O=C(CC(=O)C(F)(F)F)c1ccccc1,497.0764Fc1cc(F)c(F)cc1F,363.0765CCOC(=O)C(F)(F)F,334.0766O=C(Br)CBr,421.5767CC(C)C(N)=O,491.0768C[C@@H]1CCCC[C@H]1O,440.4769FC(F)(F)c1ccc(Cl)cc1Cl,390.5770CCn1ccnc1,481.0771CCCCOc1c(OCCCC)c(=O)c1=O,394.5772OCCCc1cccnc1,557.0773COc1ccc2c(c1)CC(=O)CC2,398.0774C=C(C)C(=O)OCC(O)CC(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F,357.5775CC[C@H](CC(C)C)C(C)C,427.1776Cc1cc(CBr)no1,317.0777CN(C)C(C)(C)CO,433.0778CC(CCO)C(F)(F)F,412.5779NN1CCOCC1,441.0780CC(C)C(=O)O,426.5781CCCCCS,396.5782c1ccc(CN2CCOCC2)cc1,533.5783CCCCC(C)S,415.0784COCc1ccco1,405.0785CC(C)(C)c1ccccc1N=C=O,498.0786CCSSCC,426.0787Cc1ccsc1C(=O)Cl,491.0788OCCc1ccc(Cl)cc1Cl,392.0789O=C(O)C(Cl)Br,488.0790CC[C@H]1C=CCC1,370.8791Nc1ccc(/N=N/c2ccccc2)cc1,639.0792CC#CCCCCCCCC,477.2793Clc1cccc(OCCBr)c1,417.5794CC1C=CCC1,337.9795CCOC(=O)Cc1cccc(C)c1,510.5796CCCC(C)(O)CC(C)C,444.0797C=CCOCCC,364.0798C1CN(CC2OCCO2)CCN1,354.0799NCCN,390.5800OCc1ccccc1Cl,500.0801CCC(CC)[C@H](C)C(C)C,435.0802CCOC(=O)C(F)(Br)C(F)(F)F,396.0803c1ccc(-c2ccncc2)nc1,554.0804FC(F)(F)C1(F)OC1(F)F,245.6805FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)Br,471.0806Cc1cc(C)c(N=C=O)c(C)c1N=C=O,375.0807CCCc1c(C(=O)Cl)cnn1-c1cc(Cl)cc(Cl)c1,464.0808O=C1OC(=O)C(F)(F)C(F)(F)C1(F)F,345.0809FC1=C(F)C(F)(F)C(F)(F)C1(F)F,300.0810Cc1ccc(N=C=O)cc1Cl,498.0811CC(C)(Cl)C=O,363.0812CC/C=C/CCCCCCC,466.46813C(CCC1CO1)CC1CO1,513.0814OCCOCCOCCO,558.0815CCC1CCCCC1C,429.0816NCCNCCO,513.0817BrC[C@H]1CCCO1,443.0818CC(=O)c1cc(C)c(C)cc1C,519.5819CCCCCCC(=O)OCC(C)C,481.0820CCCC(C)(O)C(C)(C)C,443.0821CCCO[N+](=O)[O-],383.0822CCCCC=O,376.0823C=CCO,370.0824COCC1CO1,383.5825CCCC[C@H](C)C(C)C,413.5826CCc1ccncc1,440.0827O=CC(Cl)Cl,362.2828Cc1cc(C)c(C)c(O)c1,503.5829Oc1cc(Cl)cc(Cl)c1Cl,521.5830CC(C)CCCCCCC=O,470.0831C=CC(=O)OC(C(F)(F)F)C(F)(F)F,357.0832c1ccc(C2CCCC2)cc1,492.0833Cc1nc2ccccc2o1,473.5834BrC=C(Br)Br,437.0835CC(C)OC(=O)Cl,378.0836CC1=CCC(C(C)C)CC1,446.0837C=CS(=O)(=O)C=C,506.5838C1=CCCCC1,356.0839CCOC(=O)Cc1csc(C)n1,387.0840ClCCCCCBr,484.0841CCOC(=O)C(=O)c1cccs1,379.0842CCC(Cl)(Cl)Cl,381.0843C=CCOC(F)(F)C(F)(F)S(=O)(=O)F,386.0844FC(F)(F)C1(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F,321.0845CCCCCCC(Cl)Cl,464.0846CCCC(C)CC(C)C,405.9847CCCC(C)(CO)CO,503.0848CCCCCCOc1ccc(Br)cc1,383.0849CSCc1ccccc1,469.5850CCCCOC(=O)c1ccco1,506.0851CCCCOC(=O)C(Cl)(Cl)Cl,477.0852Cc1ccc(C)c2ccccc12,541.0853Cc1ccc(Cl)c(N)c1,502.0854O=C(c1ccccc1)c1cc(F)ccc1F,394.5855Nc1ccccc1Cl,482.0856O=[N+]([O-])c1ccccc1OCCBr,401.5857Cc1cnccc1Cl,349.0858Cc1cc(C(=O)Cl)c(-c2ccccc2)o1,395.5859C[C@H]1CN[C@@H](C)CN1,435.0860N#CN1CCOCC1,345.0861Cc1csc(C(C)C)n1,448.0862NCC1CCCC(CN)C1,493.0863CC(C)=CC=O,405.5864Oc1ccc(Cl)cc1Cl,482.5865CCOC=O,327.0866C=C(C)C(=O)OCCO,479.5867CC/C=C/C(C)(C)C,378.5868CCCC(Cl)Cl,386.8869CCNC(C)C,345.0870FC(F)(F)c1cc(N=C=S)cc(C(F)(F)F)c1,336.0871Oc1cc(F)ccc1Cl,457.0872C=C(C)C(C)C,329.0873N#Cc1cc(F)cc(F)c1,433.0874Fc1ccccc1C(Cl)Cl,501.0875Cc1cccc(C)c1S,349.0876CCCCOC(=O)OCCCC,443.0877O=Cc1cc(C(F)(F)F)ccc1Cl,316.0878FC(F)(F)/C(Cl)=C(/Cl)C(F)(F)F,341.5879COC(=O)C(Cl)(Cl)Cl,426.8880CN1C(=O)c2ccccc2C1=O,559.0881C[C@@H]1CCC[C@@H](C)C1,397.5882COc1ccc(C(=O)C2CC2)cc1,368.5883C/C=C(\C)CC(C)C,385.15884CC(C)CCCC(=O)O,489.0885O=C(O)CCC(F)(F)F,439.5886C=C/C(C)=C\C,350.0887CCCOc1ccccc1O,500.0888C#CCNC,356.0889CN1CCN(c2cccc(C#N)c2)CC1,409.0890CCOCCBr,399.0891C=CCc1ccc(OC=O)c(OC)c1,543.0892c1ccc(-c2cccc(-c3ccccc3)c2)cc1,636.0893O=COCCOC=O,447.0894CCCCCCCCCC[C@H](C)O,525.0895CC1CC=C(C(C)C)CC1,440.5896CCCCCCCCF,416.0897Cc1cccc2c1C=CC2,482.0898CC(O)C(F)(F)C(F)(F)F,357.0899C=C(C)F,249.0900CC(C)(C)C(=O)NN,368.0901CCCCCCC(=O)Cl,446.0902Cc1cc(Br)ccc1N,513.0903Cc1cccc2[nH]ccc12,540.0904CCOC(=O)CP(=O)(OCC)OCC,534.0905FC1=C(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F,325.0906CCC(C)CCC(C)CC,433.8907CCCCCC(C)Br,439.0908CCCN=C=O,356.5909COc1ccc(CCO)cc1,608.0910COCC(COC)OC,421.0911CC[C@H](C)CC[C@@](C)(O)CC,475.2912FC1(F)C(F)(F)C(F)(F)[C@]2(F)C(F)(F)C(F)(F)C(F)(F)[C@]2(F)C1(F)F,391.0913CCOC(=O)C(C)(C)C,391.0914CC=C(C)C(=O)OCC,429.0915CNc1nc(NC(C)C)nc(SC)n1,618.0916C/C=C\CC(C)CC,391.15917CCCC(C)CC(C)(C)C,421.3918S=C=NCc1ccccc1,516.0919CN(C)C(F)(F)C(F)F,350.0920CCCCc1ccc2ccccc2c1,565.0921O=Cc1cc(Cl)cc(Cl)c1,513.0922CCOC(=O)CCC(F)(F)F,400.0923CCc1cccc(CC)c1,454.1924CCN(CC)CCOCCO,494.5925O=C(F)c1ccccc1,433.0926CCCCC#N,413.0927O=COCCCc1ccccc1,523.0928FC(F)OC(F)(F)C(F)C(F)(F)F,320.0929N#C/C=C(/Cl)C#N,445.0930O=S(=O)(Cl)c1ccc(C(F)(F)F)cc1Cl,348.0931CC(C)CCCC(C)(C)C,421.9932CC(C)COC(=O)CC(C)C,441.5933COc1ccc(Br)c(C(=O)Cl)c1,383.0934COC(=O)C(C)Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1,643.0935CSc1nc2cc(Oc3cccc(Cl)c3Cl)c(Cl)cc2[nH]1,769.0936C1COCCO1,374.0937C=CC1CCC2OC2C1,442.0938CCCCCCCl,408.0939CC/C=C(/C)C=O,409.5940Oc1c(F)c(F)c(F)c(F)c1F,416.0941CC(C)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1,589.0942O=C(O)C(F)C(F)(F)F,393.5943FC(F)(F)C(F)(Cl)C(F)(F)Cl,307.1944CCOC(=O)C(=O)C(=O)OCC,482.0945CC(C)CC(C)CC(C)C,420.6946C=C1CCOC(c2ccc(O)c(OC)c2)C1,539.0947CCCCOC(=O)[C@H](C)O,459.0948Cc1ccc(C(F)(F)F)cc1,402.0949Cc1cccc(Br)c1C,487.0950OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CO,523.0951C=C(Cl)Cl,304.4952CC(=O)c1ccncc1,485.0953Cc1cc(C=O)ccc1F,481.0954C#CC(C)C,299.3955CCCCCCC1CCC(=O)O1,554.0956O=C1CCCCC1C1CCCCC1,537.0957CCC(O)C(C)CO,493.45958C1=CCCCCCC1,418.5959CCC(c1ccccc1)c1ccccc1,554.6960CC(C)(C)S,336.5961C1CCC2=NCCCN2CC1,534.0962Cc1ccc(C(C)C)c(C)c1,470.0963CCCCCCC=O,423.0964C=CCCC(C)CC,386.3965CCOC(=O)C(=O)NC(=O)OC(C)(C)C,407.0966Oc1ccc(Br)cc1,511.0967O=CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F,321.0968CC(C)(C)CC(C)(C)C,395.2969Cc1ccc(CO)cc1C,492.5970O=C1CC=CCC1,443.0971Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl,583.0972Cc1ccc2c(C)ccc(C(C)C)c2c1,567.0973CC(=O)OC(OC(C)=O)c1ccccc1,493.0974CC(=O)c1ccccc1C(C)=O,383.0975C=CC(C)CCCC,384.0976Cc1ccccc1CC=O,494.0977ClC(Cl)C(Cl)(Cl)Cl,435.0978Cc1ccccc1CC(C)C,469.0979CC(Cl)CCCCl,435.0980CC(Cl)=CCCl,400.0981c1ccc(C2CCOCO2)cc1,523.5982c1ccc(N(C[C@H]2CO2)C[C@@H]2CO2)cc1,477.0983O=[N+]([O-])c1ccc(O)cc1,552.0984c1ccc(Sc2cccs2)cc1,384.0985CCC1(O)CCCCC1,439.0986COC(=O)/C=C(\Cl)C(=O)OC,497.0987CC/C=C\O,396.0988COC(=O)C=CC(=O)OC,477.5989CCOC(=O)CC(C)C,405.0990OCc1c(F)c(F)cc(F)c1F,495.5991O=[N+]([O-])OCC(O)CO,430.5992O=COC1CCCCC1,436.0993CC1(C)CO1,324.5994CCOC(=O)c1ccc(O)cc1,570.5995CC(=O)c1sc(C)cc1C,334.0996COC(=O)c1cccc(C(=O)OC)c1,397.0997CNC(=O)Oc1cc(C)cc(C)c1,512.7998C=COCC(C)C,357.0999COC(C)CCO,434.01000COCCC(=O)OC,415.51001Cc1c(N=C=O)cccc1N=C=O,519.51002O=S(=O)(O)Cl,424.51003CC(=O)c1ccc(Cl)cc1,505.01004CCOC(=O)c1ccc2c(c1)OCO2,558.51005CCC=CCO,411.01006CC(=O)OC(C)CCCC(C)C,460.01007CC(=O)c1ccccc1,475.01008O=C=NC1CCCCC1,442.01009CC(=O)c1ccc(Cl)s1,390.51010c1ccc(N(CC2CO2)CC2CO2)cc1,477.01011N#CC1(C(=O)O)CC1,416.01012CCCCCCCCCCBr,511.01013Cc1cc(CO)no1,337.01014CCC1CCC(C)(C)c2ccc(N=C=O)cc21,362.01015O=Cc1c(F)c(F)c(F)c(F)c1F,438.01016CC1CCSC1,412.01017O=C1c2ccccc2C(=O)c2ccccc21,653.01018Cc1cccc2ccoc12,463.51019C=C(Br)Br,365.01020CCCCCCCCC(O)CO,528.01021CCC(C)(C)C(=O)Cl,405.01022O=C(Cl)C(F)(F)C(F)(F)C(=O)Cl,359.21023C=C1C(=O)O[C@H]2C[C@@]3(C)CCC[C@H](C)C3=C[C@H]12,548.01024Oc1cccc(F)c1,451.01025CC(C)=CCCl,382.01026COc1ccccc1N1CCNCC1,404.51027CCC[C@H](C)CCC(C)C,431.51028CCCC(=O)CCC(C)C,451.01029N#Cc1nc(C#N)nc(C#N)n1,535.01030[C-]#[N+]C(C)c1ccccc1,371.01031ClCC1CCCO1,423.51032C=C(C)CC(C)(C)C,374.51033Cc1cccc([N+](=O)[O-])c1C,518.01034COC(=O)C(Cl)C(=O)C(C)(C)C,329.01035CCCC(C)O,391.51036CNCC(O)CO,520.01037COc1ccc2c(c1)CCCN2,557.01038CC1(C)CCCC(O)C1,458.01039CCc1cc(C)nc(C)c1,460.51040O=C(Cl)C1CCCCO1,328.01041C=C(C)CCC,335.01042O=C(c1ccccc1)n1ccnc1,393.51043CC1(C)OCC(CO)O1,461.51044CC/C(Br)=C/Br,423.01045Cc1cnc[nH]1,536.01046CN(C=O)c1ccccc1,516.51047Cc1ccc(C(C)C)cc1O,511.01048CN(C)N=O,427.01049O=[N+]([O-])c1ccc(Cl)c(Cl)c1,528.51050O=[N+]([O-])c1cc(F)ccc1F,479.51051CC1(C)OC(CO)C(CO)O1,365.01052C=C(C)C(=O)OCCN(C)C,460.01053CCC/C=C\C(C)C,385.151054c1cc(-c2ccncc2)ccn1,578.01055CC(C)N(C=O)C(C)C,469.01056CCCCC(C)(C)CCC,430.51057O=C(Cl)OCCl,380.01058CC(=O)CC(=O)OC(C)C,459.01059CC(C)c1cccc(C(C)C)c1N,530.01060CCCCOC(=O)CC(=O)OCCCC,524.51061c1ccc(-c2ncc[nH]2)cc1,613.01062CCC[C@H](C)[C@H](C)CC,413.61063COCCOC,358.01064Cc1ccc(CO)cc1,490.01065CC1(C)CC(N)CC(C)(C)N1,461.51066CC=CBr,333.51067COC(=O)CCC(C)=O,469.01068CCCC[C@@H](C(C)=O)C(=O)OCC,494.51069C=CC=C(C)C,349.51070CCOC(OCC)OCC,419.01071C=C1CCCCC1,375.51072CC(=O)c1cccc(Cl)c1,501.01073FC(C(F)(F)F)C(F)(F)OC(Cl)Cl,371.01074O=C(Cl)/C=C/c1ccccc1,530.01075CCC=CCCO,429.51076CC(C)(C)OC(=O)OC(=O)OC(C)(C)C,310.01077CCCCCCCCC[C@@H](C)C=O,444.01078C=COC(=O)C=C,364.01079CCC(C)CC(CC)CC,431.21080Clc1ccc(Br)c(Cl)c1,508.01081CCOC(=O)C(Cl)Cc1cc(-n2nc(C)n(C(F)F)c2=O)c(F)cc1Cl,625.51082CC1CCC2C(C1)C2(C)C,442.01083C=C(Cl)C(=C)Cl,371.01084CC(C)(C)c1ccc(C(C)(C)C)cc1,509.01085COc1c(F)c(F)c(F)c(F)c1F,411.51086C[C@@H]1CCC[C@H](Br)C1,454.01087CC(C)N(N=O)C(C)C,467.51088Cc1ccsc1Br,447.51089C1=CCC=C1,314.01090C1CCNC1,360.01091CC(=O)c1cc(C)ccc1O,483.01092CC(C)CCCC(C)(C)O,453.01093COC(=O)c1cc(C)cs1,338.01094O=CC1CC=CCC1,378.01095CCCCCCCCCOC(C)=O,483.01096CCC(Br)Br,406.51097CNC1CCCCC1,422.01098CC1CC(C)CC(C)(C)C1,425.51099CC(O)C1CC1,394.01100c1ccc(P(c2ccccc2)c2ccccc2)cc1,650.01101CC1CCC(O)CC1C,462.01102CCCCCCCCCc1ccccc1,555.01103O=C1C(=O)c2ccccc2-c2ccccc21,633.01104CNc1ccc(Cl)cc1Cl,342.01105CC(C)OCCCN,423.01106CCCC(=O)C(C)C,408.01107CC(C)(CO)CO,481.01108CC(C)(C)c1ccccc1O,497.01109CCCc1ccccc1N,499.01110CC[C@H](C)N[C@H](C)CC,408.01111CCC(=O)C(F)(F)F,317.51112N#CC(C#N)=Cc1ccccc1Cl,585.51113CCCCSC#N,459.01114COc1cccc(OC)c1C=O,558.01115CCCCCCCCCO,487.01116CC1CCCC(C)C1O,447.41117CCCCC[N+](=O)[O-],445.51118CCCCCC(=O)CCC,460.51119Cc1ccco1,337.51120Cc1cc([N+](=O)[O-])c([N+](=O)[O-])cc1[N+](=O)[O-],573.01121N#CC1(c2ccc(Cl)cc2)CCC1,568.01122O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F,518.01123C=C(C)C(=O)OCCOC(=O)CC(C)=O,373.01124OCC(F)(F)C(F)(F)C(F)(F)F,368.01125COc1ccc(C=O)cc1OC,554.01126CCOP(=O)(OCC)SCCN(CC)CC,588.01127C/C(=C/CCC1(C)C2CC3C(C2)C31C)CO,574.51128Brc1cc(Br)c(Br)c(Br)c1,602.01129Cc1ccc(C)c(N=C=O)c1,483.01130O=Cc1ccc(F)cc1C(F)(F)F,387.01131CC(C)=CC=C(C)C,406.01132C/C=C/[C@@H](C)CC,360.61133CCc1ccccn1,422.01134CCOCCC#N,444.01135CSCCSC,456.01136CCCCC(C)=O,400.01137CCCCC(C)(C)CO,445.51138CC(CCN(C)C)N(C)C,438.01139CC1CCCCCC1=O,458.01140CN(C(=O)OC(C)(C)C)C1CCNC1,369.01141CCCCC(C)CO,437.151142FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)Cl,381.01143C=COC(C)(C)C,351.01144CCC(C)(Cl)Cl,377.01145Nc1ccc(-c2ccccc2N)cc1,636.01146CCc1ccc(CC)cc1,457.01147Fc1cc(F)c(Br)cc1F,416.51148Cc1ccc(OC(=S)Cl)cc1,518.01149COCC1CCCO1,413.01150CCC1C2C=C(C)CCC21,440.51151Cc1c(F)cccc1Cl,428.01152FC(F)C(F)C(F)(F)F,279.51153[C-]#[N+]C(C)(C)C,364.01154COCCl,332.51155CCCCCCCCCC(=O)OC,497.01156Cc1ccccc1C,415.01157CC(C)C(=O)OC1CCCCC1,477.01158CCCCCCc1ccc2ccccc2c1,597.01159CCN(CC)CCCN,442.51160O=C(Cl)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F,441.01161CCCC(=O)OC1CCCCC1,486.01162CC(C)(C)P(Cl)Cl,419.01163O=[N+]([O-])c1cccc(C(F)(F)F)c1,475.81164Cc1ccccc1C=O,472.51165CCOC(=S)C(=S)OCC,508.01166CCCCC(C)CCC,415.41167COS(=O)(=O)F,366.01168O=C(O)C1CCCCO1,364.51169CC(=O)Oc1cccc(O)c1,556.01170CNCCc1ccccc1,476.01171O=C1CC(C(=O)O)CC(=O)C1=C(O)C1CC1,493.01172COc1ccc(C)cc1N,508.01173O=C1c2ccccc2-c2ccccc21,615.01174CCCCCCc1ccc(N)cc1,555.01175CCCN(C(C)=O)c1ccccc1,541.01176COc1cccc(C(F)(F)F)c1,433.01177CCCCCCCCCCCC(C)=O,536.01178CCCCC(C)C,363.01179CCCCOC(=O)CCCC,458.81180FC(F)(Br)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)Br,432.01181CC(=O)OCCOCCOCCOC(C)=O,559.01182NC(CO)CO,388.51183CCCCCCC(C)Cl,445.01184O=CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,398.81185ClP(Cl)c1ccccc1,498.01186COC(=O)SCl,406.51187CCOC(=O)c1ccccn1,513.51188FC(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F,330.61189CCOCCOC(C)(C)C,421.01190CC(=O)OC1CCCCC1,446.51191CCC(=O)C(=O)CC,403.01192FC(F)(F)C1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C1(F)F,375.01193CC1=C(O)C(=O)OC1C,457.01194CCCC(=O)C(=O)O,452.01195Cc1ccc(O)cc1,475.01196CCCCCCC(C)O,448.01197CCCCSCCCC,461.51198O=[N+]([O-])c1ccccc1-c1ccccc1[N+](=O)[O-],578.01199CC/C=C/CO,411.01200CCCCCCCCC#N,497.0

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