smiles,boiling_point_K
Cc1ccc(CCO)cc1,517.5
c1ccc2nc3ccccc3cc2c1,619.0
COC(=O)C=C(C)C,409.5
O=C1CCC(=O)N1,560.5
C=C(C)[C@H](C)CCC,383.5
CCCCCC(C)(C)C,405.7
C=CCCCCCCCCCO,519.5
CC(C)CC[N+](=O)[O-],436.5
CCCCCCCC(=O)CC,476.0
C=C(C)C(CC)CC,382.5
C1=CCC2CC2C1,398.0
O=C(Cl)/C=C/C(=O)Cl,432.0
O=CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C=O,418.0
Cc1cc2ccccc2o1,470.5
Brc1sc(Br)c(Br)c1Br,599.0
CCC(C)CBr,394.6
C=CBr,288.8
CCCCCCCCCCS,513.6
CCC(C)(C)CC(C)(C)C,426.8
CC(C)C(C)(C)C(C)(C)C,439.1
Cc1coc(C)n1,381.0
Cc1ccccc1C(=O)O,531.5
CCOC(=O)C(C(C)=O)C(=O)c1cccs1,398.0
CSCC(C)C,385.5
CC(=O)C(C(C)=O)=C(C)O,476.4
Cc1cc(O)c(C)c(O)c1,551.5
CCCSc1ccccc1,493.0
NC(=O)NC(N)=O,373.0
CCCC(C)C(C)(C)O,433.0
Cc1ccc(C=O)cc1C,499.0
C=C(C)C(C)(C)CCCC,427.6
CC(=O)CCCC(=O)O,547.5
C=CC[C@@H](C)C(C)C,382.0
Cc1cc(C)c(C)c(C)c1,471.0
C/C=C/C=C(C)C,384.5
CN(C)CCN(C)C,394.0
Cc1nccnc1C,429.0
CN1[C@H]2C[C@H]3C[C@@H]1[C@@H](O)[C@@H]2O3,521.0
C=C(CC)C(C)CC,385.5
CCCNCC,354.0
C=CC(C)C(C)O,398.5
CCCCCC1=CCCC1,452.0
CCCCC1CO1,392.0
CCC(C)C(C)CC,390.7
Cc1ccc(N)cc1C,499.0
FC(F)(F)C(F)(F)C(Cl)(Cl)Cl,347.0
CCOCC1CO1,401.0
CC(O)(CC(=O)O)C(F)(F)F,361.5
C#CCN(C)C,353.5
CC/C=C(\C)C(=O)O,487.0
CCOC(=O)C(C(=O)OCC)C(=O)OCC,526.0
CC(C)COC(C)OCC(C)C,444.3
CCCCCNCCCCC,475.5
Nc1ccc(-c2ccc(N)cc2)cc1,674.0
C=C(C)CC(C)C,354.6
FC(F)OC(F)C(F)(F)F,296.5
ClCc1nc(-c2ccccc2)no1,416.0
CSCCO,443.0
CCc1cccc(C(C)C)c1,465.0
O=[N+]([O-])c1cccc(Br)c1,529.0
CCO[PH](=O)CSCC,502.4
Nc1ccc(C(=O)O)cc1,580.7
N#CCc1ccsc1,514.0
Clc1ccc(C(Cl)(Cl)Cl)cc1,518.0
Cc1cc([N+](=O)[O-])ccc1Cl,522.0
O=[N+]([O-])c1ccc(O)cc1C(F)(F)F,409.5
Clc1ccc(Cl)s1,435.0
C=CCCCCC(C)C,412.04
CC(C)c1cccc2ccccc12,541.0
CCC(C)C(=O)O,449.5
CC(C)(C)CBr,379.0
O=[N+]([O-])c1ccccc1CO,543.0
CC(C)=CCC/C(C)=C\C(=O)O,523.0
N#Cc1ccc(Cl)cc1,496.0
CC(C)[C@H](O)c1ccccc1,496.0
CC(=O)CCc1ccccc1,509.0
Cc1cccc(O)c1O,514.0
CNCc1ccnc(N2CCSCC2)c1,418.0
FC(Cl)Br,309.0
CC(C)CC(=O)OCc1ccccc1,518.0
CC([N+](=O)[O-])[N+](=O)[O-],458.5
C1=CCCCCCCCCCC1,511.5
CNc1cccc2ccccc12,567.5
C=C(C)C=C(C)C,367.0
CCCCCOC=O,403.4
CC(C)(Cl)CCCl,419.7
CCCCCCCC(C)O,466.5
CCCOC(=O)c1ccccc1C(=O)OCCC,590.5
FC(F)(F)C(Cl)(Cl)C(Cl)(Cl)C(F)(F)F,404.0
CC(C)(C)OOC(=O)c1ccccc1,348.5
CCN(CC)P(Cl)N(CC)CC,329.0
Cn1c(=S)sc2ccccc21,608.0
BrCC(Br)Br,461.9
CCn1cccc1,402.5
OCc1ccccc1F,473.0
C[C@H](N)[C@H](O)c1cccc(O)c1,491.0
FC(F)C(F)(F)OCC(F)(F)C(F)(F)F,341.0
O=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,491.0
COC=CC(=O)OC,442.0
COc1ccc(CCCl)cc1,399.5
COP(Cl)Cl,366.0
O=C1C2CC3C(C2)C13,458.0
ClC(Cl)=C(Cl)C(Cl)(Cl)Cl,482.5
COc1ccc(CN2CCNCC2)cc1,418.0
CC(C)(C)N=C=S,416.0
CCc1ccc([N+](=O)[O-])cc1,518.5
CCC(=O)c1ccc2ccccc2c1,586.0
OC(CBr)C(F)(F)F,398.0
CC(=O)OC1CCCC1,501.0
CCN(CC)C(=O)N(CC)CC,482.0
C=CCCC(C)(C)C,377.0
OCCCC(Cl)(Cl)CO,392.0
CCBr,311.5
CC1(N)CCCC1,394.0
C/C(CCC(C)C)=N/O,468.5
C=C(C)C(=O)CC,391.5
COC(C)(C)CC(C)=O,433.0
NCCc1ccccc1,467.5
Brc1ccc2ncccc2c1,554.0
Cc1cc(C)ncn1,427.0
CCOP(=O)(Cc1ccc([N+](=O)[O-])cc1)OCC,424.0
CC(C)OC(=O)C(=O)OC(C)C,464.0
CCCCOC(C)C,382.0
CC(=O)CO,418.5
CC1CCCC(C)(C)C1,409.6
CC(O)C(F)(F)F,348.5
Cc1ccc(N=C=S)c(Cl)c1,358.0
Cc1ccc(OC(=O)c2ccccc2)cc1,589.0
CCc1cccc(O)c1,487.0
CCc1ccsc1,413.0
CCCC=CC(=O)O,490.0
CC(=O)N1CCC(C#N)CC1,413.0
O=[N+]([O-])c1ccccc1OCCCBr,404.5
CCN(CC)[N+](=O)[O-],479.5
CCOC(=O)C1(C(=O)OCC)CCC1,497.0
CCCCCC(O)CCC,465.65
C1=COCCO1,367.1
CC1=C(C)CCC1,378.8
CCCSCC,391.6
COC(=O)CP(=O)(OC)OC,391.0
Clc1cccc2ccccc12,532.0
CCC(CC)c1ccccc1,460.5
c1ccc(-c2cccnc2)cc1,545.0
CCC(O)COS(=O)(=O)c1ccc(C)cc1,523.0
CCOC(OCC)(OCC)c1ccccc1,513.0
COc1cc(Cl)c(Cl)cc1Cl,527.0
CC1(c2ccccc2)CCOCO1,529.0
N#Cc1ccc2ccccc2c1,579.5
Cc1ccccc1CCO,516.5
OCCCl,402.0
Nc1ccccc1-c1ccccc1,572.0
O=C(O)C(F)(F)C(F)F,407.0
COc1ccccc1N(C)C,483.0
NCC(F)(F)C(F)(F)F,322.0
c1cc2ccc3ccc4ccc5cccc6c(c1)c2c3c4c56,773.0
C#CC(C)(C)N,352.5
CN1CCN(c2ccc(N=C=O)cc2)CC1,418.0
CC1CCCS1,407.0
N#CC(F)(Cl)Cl,306.0
Cc1cccc(C)c1N=C=S,520.0
C/C=C(/C)c1ccccc1,467.7
O=C(O)C1=CCCc2ccccc21,579.0
OCC(O)CCl,486.0
CC(N)C(C)(C)C,375.5
COC(=O)C(OC)OC,434.5
C=C(C)C(=O)OC(C(F)(F)F)C(F)(F)F,372.0
CC[C@H](O)[C@H](C)O,460.5
CC=CCCC,341.5
CCOC(=O)C(C)[N+](=O)[O-],463.5
CN(C)c1cccc([N+](=O)[O-])c1,555.5
C#CC(OCC)OCC,411.0
O=C1C=CC=CC1=C1Nc2ccccc2O1,611.0
CCCCCC[N+](=O)[O-],466.0
C1CCOCC1,361.0
O=C1OCCC1C(F)(F)F,323.0
CCOC(=O)CC(C(=O)OCC)C(=O)OCC,372.0
CCC/C=C\CCCCC,443.83
CCCCCCOCC,416.0
C=C1C(=O)OC2CC3(C)CCCC(C)C3=CC12,548.0
Cc1ccc(C)c(CO)c1,506.0
F/C(=C(\F)C(F)(F)F)C(F)(F)F,274.5
CCOC(=O)C1CCN(Cc2cccnc2)CC1,440.0
OCC(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,403.0
C[C@H]1CCC[C@@H](O)C1,441.0
FC(F)(Cl)C(F)(F)Cl,276.8
COc1c(Cl)cc(Cl)cc1Cl,514.0
FC(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F,314.0
Fc1ccc(F)c(Cl)c1,402.5
CCCCCCCC(=O)c1ccccc1,560.5
CCOP(=O)(OCC)C(F)(F)Br,355.0
CC/C=C/CC(C)C,387.13
FC(F)(F)C(F)(F)N(C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F,343.3
CN=C=O,311.3
Cc1cccc(C)n1,417.0
Fc1cccc2[nH]ccc12,363.0
O=C(CCl)c1ccccc1,517.5
Cc1ccc(C)c(C)n1,444.6
CCOCCOCC,394.0
CC(C)CCC(CO)C(C)C,484.0
N#[N+]N=P([O-])(Oc1ccccc1)Oc1ccccc1,430.0
OCc1cccc2c1OCO2,397.5
CCC(C)COC,363.0
CC(C)=C(C)Cl,369.0
N#Cc1cccc(C=O)c1,482.5
CCCCCCC(O)CC,468.15
CN(C)C(=O)C(F)(F)F,406.0
CC/C(C)=C(\C)CC,395.15
C=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,419.5
ClCCSCCCl,489.0
C=CC(F)(F)Br,315.0
CNC(=O)Oc1cccc2ccccc12,588.0
C/C=C/C(CC)CC,386.15
Oc1ccc(O)cc1,559.0
CCCCCCCOC(=O)CCCC,518.2
Cc1ccc2ncccc2c1,532.0
O=C(O)CS,493.0
C=C1CC=C(C(C)C)CC1,446.5
C=C(C)CC(C)(C)CC(C)(C)C,464.05
Cc1nc2ccc(-c3ccccc3)cc2s1,467.7
FCC(F)(F)F,247.0
CCOP(=O)(SC(C)CC)N1CCSC1=O,471.0
C=C(C)C1CC=C(C)C(=O)C1,504.0
CC(=O)C(C)(C)C,379.0
FCCBr,344.5
NC(=O)CCl,497.5
CCCCC=CCCCCC,465.17
Fc1ccc(F)c(F)c1F,368.0
FC(Cl)Cl,281.9
O=C=Nc1ccc(F)cc1C(F)(F)F,325.0
Nc1cc(Cl)ccc1Cl,524.0
CCOc1cccc(N)c1,521.0
CCCCCC[C@H](O)CCCC,502.0
CCOC(=O)c1ccc(OC)c(OC)c1,568.5
O=C(O)C(F)(F)C(F)(F)F,369.5
CC(=O)C(C)(C)C(C)=O,446.0
O=C(Cl)c1ccc(F)cc1C(F)(F)F,430.0
COc1ccc(CN=C=O)cc1,363.0
CCC(O)CC(C)C,421.15
C=C(C)[C@@H]1CC=C(C)CC1,449.0
O=C1CCC(=O)O1,534.0
CCC(CC)C(C)C(C)C,435.0
C#CCCC(C)=O,422.0
CCOC(CCCN)OCC,469.0
CC1=CCC2CC1OC2(C)C,456.5
CCOC(=O)OC(C)Cl,419.0
Cc1cccnc1Cl,465.5
CCCc1ccccc1O,498.0
O=C(C=Cc1ccccc1)OCc1ccccc1,623.0
CCN1CCN(CC)CC1,430.0
Cc1ccc[nH]c1=O,562.0
C[C@@H]1C[C@H](O)CC(C)(C)C1,475.0
CC(CO)N(C)C,423.3
CC(C)N(C)C,339.0
C#CC(C)O,382.5
O=C(Oc1ccccc1)c1ccccc1,571.5
FC(F)=C(C(F)(F)F)C(F)(F)F,273.5
CCCCC(CC)C(C)C,436.0
C=CC(C)CCCC(C)C,427.0
ClC1C(Cl)C(Cl)C(Cl)C(Cl)C1Cl,596.4
CCC[C@@H]1CCCCC1=O,470.0
CCOC(=O)/C(=C/c1ccccc1)C(C)=O,569.0
CCC(CC)Nc1c([N+](=O)[O-])cc(C)c(C)c1[N+](=O)[O-],603.0
O=C(O)C/C=C/c1ccccc1,575.0
CCCCC1CCCCC1,454.0
CCC[C@H]1CCC[C@H](C)C1,437.5
Cc1ccccc1CCl,471.0
Cc1cc(C)c2ncccc2c1,541.5
N#CC=Cc1ccccc1,527.5
N#CCc1ccc(Cl)cc1,539.0
CCCCCCC(=O)O,496.2
CCOCCl,356.0
CCCc1ccccc1N=C=O,323.0
CCOC(=O)C1OC1C,446.0
c1ccc(-c2cccc(-c3ccccc3)n2)cc1,670.0
Cc1cc(=O)cc(C)o1,522.0
CCC(=O)Cl,351.0
C/C=C/C(O)CCCC,448.0
Cc1ccnc(C)c1,432.0
C=C(C)C1CCC(C)CC1OC(C)=O,505.0
COc1ccc(N)cc1,514.5
C/C=C/OCC,344.5
c1ccc(OCCN2CCNCC2)cc1,393.0
O=C(/C=C/c1ccccc1)c1ccccc1,619.5
c1cc2ccc3ccc4ccc5ccc6ccc1c1c2c3c4c5c61,798.0
CCCC(C)O[N+](=O)[O-],417.0
CC1CCOC1,359.5
C=CC(C)(CC)CC,383.7
Brc1cc(Br)cc(Br)c1,544.0
Clc1cccnc1,421.5
Cc1cc(O)c(C(C)(C)C)cc1C(C)(C)C,555.0
CC(=O)Oc1cc(C(C)C)ccc1C,519.5
CN(C(=O)N(C)c1ccccc1)c1ccccc1,623.0
C=CCOC(=O)CCC,415.0
CCc1sccc1C,434.0
CCC(Br)CC,391.6
CCCCP(CCCC)CCCC,514.0
CCOC(=O)CNc1ccccc1,546.5
CCCN1CCCCC1,424.5
CC(=O)OC1C=COC(C)C1OC(C)=O,341.5
COCC(C)O,391.5
CCC(C(C)O)[N+](=O)[O-],333.0
O=COCC=Cc1ccccc1,525.0
C=CCc1cc(C)ccc1O,510.0
O=C(O)[C@H](F)Cl,435.0
CCN(CC)CCC[C@H](C)N,474.0
O=C(C(F)(F)F)C(Cl)(Cl)Cl,360.5
FC(F)(F)Oc1ccc(Cl)cc1,416.5
CCC(=O)c1ccc(C(F)(F)F)cc1,489.0
COc1c(C)cccc1C,455.0
CCOP(=O)(CSc1ccccc1)OCC,420.0
CNCc1ccccc1OCCCN(C)C,367.0
CCCCC[C@@H](C)CCC,438.7
CCC(C)(O)CCCC(C)C,466.0
N#Cc1ccccc1CCl,525.0
CC(C(=O)O)(c1ccccc1)c1ccccc1,573.0
CP(C)(=O)Cl,477.0
C#CCOC(=O)[C@@H](C)Oc1ccc(Oc2ncc(Cl)cc2F)cc1,373.6
NC1CCC(N)CC1,470.0
O=NN1CCOCC1,498.0
ClC1=C(Cl)C(Cl)(Cl)C(Cl)(Cl)C1(Cl)Cl,556.0
Cc1n[nH]c(C)c1Cl,494.0
CCC(C)(CC(=O)O)CC(=O)O,534.0
C1CC[C@@H]2C[C@@H]2C1,389.5
CC(=O)OC(C)(C)C,371.0
CC(=O)OCCCCl,437.0
NCC1CCC(CN)CC1,515.5
FC(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)C(F)(F)F,331.4
Oc1cccc(Nc2ccccc2)c1,613.0
COc1ccccc1Br,489.0
C=CCCC1CO1,392.5
CCOC(=O)C(C)(C)C(=O)OCC,465.0
Cc1cc(Br)ccc1Br,509.0
CCOc1cc(C=O)ccc1O,567.0
CCNC(=O)NCC,536.0
CCOP(=S)(OCC)Oc1cnccn1,353.0
c1ccc2c(c1)Cc1ccccc1-2,571.0
CC12CCC(CC1)C(C)(C)O2,449.5
C#CCCl,331.0
COC1CCCCCCCCCCC1,543.7
CC(C)C(=O)Cl,365.0
COC(OC)C(=O)C=CN(C)C,383.0
CCCCCCC(O)CCO,396.0
O=C(c1ccccc1)N1CCNCC1,418.0
CCOc1cc(COC)ccc1O,555.4
CC(=O)c1ccccc1C,487.0
CCCCOCCOCCO,504.0
BrCC(Br)CBr,495.1
CCOC(CNc1ccc(F)cc1)OCC,377.0
Cc1cc(O)c(Cl)cc1Cl,507.0
CCC(C)CCCC(C)C,433.4
OCCNc1ccccc1,557.5
CC(=O)CC(=O)C(F)F,405.5
CC/C=C\CCCCC,421.09
c1ccc2c(c1)CCC2,449.0
O=C(c1c(F)c(F)c(F)c(F)c1F)C(F)(F)F,403.5
C=C(c1ccccc1)c1ccccc1,543.5
CCCCCC(=O)OCC,441.0
CC(Br)(Br)CBr,463.5
OCC(Cl)CCl,455.0
CC(=O)OCC(C)OC(C)=O,463.5
C=CCF,270.0
C/C=C(\C)Cl,337.5
C#CC(=O)OC,372.5
CC[C@@H]1CCC[C@H]1C,394.2
Cc1cc[nH]c1,416.0
ClC1=C(Cl)C2(Cl)C3C4CC(C5OC45)C3C1(Cl)C2(Cl)Cl,603.0
CCS(=O)(=O)Cl,450.0
O=C(OOC(=O)c1ccccc1)c1ccccc1,601.6
c1ccc(Sc2ccccc2)cc1,569.0
Cc1c[nH]c(C)c1,439.0
OCC(F)(F)C(F)(F)C(F)(F)C(F)F,413.5
Nc1ccccc1S,507.0
CCC(=O)c1ccc(C)cc1,511.5
C#CC(C)(O)CC(C)C,423.5
Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-],573.0
C/C=C(\C)C(C)(C)C,385.0
FC(=C(F)C(F)(C(F)(F)F)C(F)(F)F)C(F)(F)F,322.0
CC(Br)CCl,391.0
CC1CC(=O)OC1=O,512.0
COC(=O)CCCl,429.0
O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F,465.0
Cc1c(Cl)cccc1[N+](=O)[O-],511.0
NCCCCCN,452.0
Cc1cc(O)ccc1O,545.0
CCC(=O)C(C)=O,384.0
CC(C)C(O)C(C)(C)C,423.5
CCCCCc1ccc(O)cc1,615.0
c1ccc(Cc2ccc3ccccc3c2)cc1,623.0
CCCCCC(=O)CCCCC,501.0
CCCC(C)CCC,390.7
O=C(O)C(F)(F)Br,407.0
C=CC(=O)OCCO,485.5
CCCC[C@H](O)C(=O)O,578.0
FC(F)(F)S(F)(F)(F)(F)F,252.0
Fc1ccc(OCC2CO2)cc1,352.0
Clc1cc(Cl)c2ccccc2c1,564.0
CCC(=O)CC(C)C,408.0
Cc1ccccc1Br,454.7
CC(O)C(=O)c1ccccc1,524.0
COc1ccc(C)cc1N=C=S,403.0
C1CN(CCN2CCOCC2)CCO1,558.0
CC/C=C/CCCCCC,444.55
Fc1nc(F)nc(F)n1,345.4
ClCC(Cl)(CCl)CCl,484.0
CC1OC1C,333.5
O=C(Cl)c1ccccc1Cl,511.0
O=C(O)c1ccccc1,522.0
CCC(Cc1ccccc1)c1ccccc1,563.0
CCCCCCCCCC=O,481.0
COC1C=CC(OC)O1,434.0
CCCCC(=O)c1ccc(C)cc1,528.5
ClCc1ccccc1,452.0
CCC(=O)c1cccc(C)c1,508.0
CC(C)C1COC2(C)CCC(=O)N12,355.0
CCNc1ccc(C)cc1,490.0
c1ccc(-c2noc(-c3ccccc3)n2)cc1,563.0
c1ccc(N(c2ccccc2)c2ccccc2)cc1,620.5
Cc1ccccc1N=C=O,458.0
FC(F)(F)CBr,299.0
CC(F)F,248.1
CC/C=C(/C)CCC,395.15
O=C(Cc1ccccc1)c1ccccc1,593.0
ClC1=CCCCC1,415.5
Cc1ccc(S(=O)(=O)OCC(F)(F)C(F)F)cc1,408.0
OCC1CCCN2CCCCC12,543.0
CC1=CC(=O)CCC1,472.5
C=CC(=O)OCC(CO)(COC(=O)C=C)COC(=O)C=C,483.0
CCOC(=O)CCCCCCC(=O)OCC,555.0
[C-]#[N+]C,332.6
O=C(OCc1ccccc1)c1ccccc1,596.5
C=CCCCCC(=O)O,499.0
CC1CCCC2(C)CCCCC12O,543.0
Cc1ccc(O)c(C)c1C,509.0
CCc1ccccc1Br,472.3
CCOCC,307.6
CCCCOC(=O)NC,493.0
OC(c1ccccc1)c1ccccc1,570.5
CNCc1cccc(Oc2ccccn2)c1,443.0
CCCC(=O)OC(C(Cl)(Cl)Cl)P(=O)(OC)OC,653.0
Cc1ccc([N+](=O)[O-])cc1C,529.0
O=C(Oc1ccccc1)Oc1ccccc1,574.5
C=C(C)c1cccc(C(C)(C)N=C=O)c1,542.5
COc1cc(Cl)ccc1N,533.0
C1CCC(C2CCCCC2)CC1,500.0
Oc1ccc(F)cc1Cl,444.5
Cc1ccc(C)c(CN)c1,498.5
CNC=O,473.0
CCCCOC,343.1
CC1CCC(C)(C)C1,377.9
CCNCCC#N,426.0
CCCCC(=O)OC,399.0
OC1CCCCCCCCCCC1,545.7
FC1=C(F)C(F)(F)C1(F)F,278.5
CCNc1ccc(OC(F)(F)F)cc1,316.0
C=CCCCCl,378.0
COc1ccc(/N=N/c2ccccc2)cc1,613.0
CC(Br)C(=O)C(F)(F)F,365.0
O=[N+]([O-])c1cccs1,497.5
CCCc1ccc(OC)cc1,484.5
O=C=Nc1ccccc1N1CCCCC1,393.0
Cc1cccnc1C,434.0
CNCc1ccc(OCCN2CCOCC2)cc1,415.0
c1ccc2c(c1)c1ccccc1c1ccccc21,711.0
Cc1cccc2ccc(Cl)nc12,560.0
FC(CC(F)(F)F)C(F)(F)F,301.2
CCO[PH](=O)OCC,333.0
COc1cccc(C)c1C,468.0
CCOCCO,408.0
C/C=C(\C)C(C)CC,389.15
COC(CC#N)OC,468.0
CC(C)O[P@@](C)(=O)F,420.0
CCOC(=O)CSCSCC(=O)OCC,431.0
COP(=S)(OC)Oc1nc(Cl)c(Cl)cc1Cl,633.0
CCC[C@H](CC)c1ccccc1,482.0
O=CC(Cl)(Cl)Cl,370.8
Fc1c(F)c(F)c(Cl)c(F)c1F,390.9
C#CCCCC,344.5
COC(=O)CC12CC3CC(CC(C3)C1)C2,359.0
Cc1ccsc1C1=NOC(C)(COCc2c(F)cccc2F)C1,675.7
FC(F)OCC(F)(F)C(F)C(F)(F)F,345.5
COc1ccc(CO)cc1,532.0
O=Cc1ccc(Cl)c(Cl)c1,520.5
OC(c1ccccc1)c1c(F)c(F)c(F)c(F)c1F,389.0
C1CCC2NCCC2C1,458.5
Clc1ccc(-c2cc[nH]n2)cc1,427.0
Oc1cc(Br)cc(Br)c1,547.0
CCOC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,394.0
CCC(C)[N+](=O)[O-],412.5
CC/C=C(\C)CCC,394.0
Nc1cccc(C(F)(F)F)c1,460.0
CC[C@H](C)CC(C)C,382.5
C=Cc1ccccc1CC,460.3
CCOc1cc(Cl)c(N)c(Cl)c1,548.0
COc1ccccn1,415.0
Cc1cccc(CN)c1,476.5
C=CCOC(=O)C(F)(F)F,339.5
CC(Cl)(Cl)C(=O)Cl,391.0
COCC(=O)Cl,385.5
Cc1ccccc1-c1ccccc1,528.3
FCC(F)(F)C(F)F,299.0
O=[N+]([O-])c1cc(F)cc(F)c1,449.5
CSC(=O)c1cccc2nnsc12,540.0
CC1CCCN1,372.0
N#CC(O)c1ccccc1,443.0
CCc1cccc(C)c1C,467.0
C[C@@H]1C=C2[C@@H](CC1)C2(C)C,441.0
Fc1cccc(Cl)c1CN1CCCNCC1,376.0
CCCC(CC)(CC)CO,465.15
CCCc1nccnc1C,463.0
CC(=O)N1CCCCC1,499.5
CCN(C#N)CC,460.0
ClC1=C(Cl)C2(Cl)C3C(Cl)C=CC3C1(Cl)C2(Cl)Cl,583.0
CCCCCCCCS(=O)(=O)Cl,348.0
Cc1ccc(N)cc1Cl,510.5
CCC(C)(CC)C(C)(C)C,442.5
OCCF,376.5
C=CCCCC(C)C,386.2
CC[C@@H]1CCC[C@@H]1C,401.0
CCOC(C)C(=O)C(O)O,418.0
Cc1ccc(Cl)cc1Cl,473.0
CC1(C)C(=O)Nc2ccccc21,573.0
C=CCOCCO,431.5
COC(CC(C)=O)OC,451.0
COCC(=O)c1ccccc1,518.0
CCC(Br)C(C)Br,451.0
O=C(C(Cl)Cl)C(Cl)Cl,456.0
CC1=CC(=O)C(C(C)C)=CC1=O,504.0
Brc1ccc2cccnc2c1,563.0
CCCCC1CCC(=O)O1,507.0
C=C(C)C(C)(C)C(C)(C)C,431.9
Cc1cccc(N)n1,481.5
O=C=Nc1ccc(Br)cc1,499.0
c1csc(-c2ccc(-c3cccs3)s2)c1,433.0
CCOC(=O)Cc1ccccc1,499.0
N#CCCc1ccc(Cl)cc1,393.0
CCOC(=O)C1CCCCC1,469.0
CC(N)CCCC(C)(C)O,388.0
O=C=Nc1cc(C(F)(F)F)ccc1F,326.0
C1CCC2NC2C1,423.0
CCCCCCCCCCCC,489.0
c1ccc2c(c1)-c1cccc3cccc-2c13,657.0
COc1cccc(OC)c1C#N,583.0
C1C2C3C2C2C1C32,385.0
O=S(=O)(Cl)c1cc(F)c(F)c(F)c1,349.5
CCCCC#Cc1ccc(C=O)cc1,379.0
O=C(Cl)c1ccco1,446.5
OC(CCl)CCl,447.0
c1ccc2cc(Nc3ccc4ccccc4c3)ccc2c1,744.0
CCNC=O,471.0
CC/C=C/C(C)C,358.9
C=C(C)C(C)Cl,367.0
Clc1ccc(Oc2ccc(Cl)cc2)cc1,585.0
CC(F)(F)C(F)(F)F,255.6
O=[N+]([O-])c1ccc(Oc2ccc(Cl)cc2Cl)cc1,641.0
C=C(Cl)C#N,361.5
CC(Cl)C[N+](=O)[O-],445.0
NCc1c(Cl)cccc1Oc1ccccc1,398.0
O=C(O)c1ccc(O)cc1,571.0
COC1CC2CC1C1CC(C=O)CC21,550.5
CCCCCCC(C)N,438.0
C=CCC(C)C,326.9
CC(C)OC(=O)/C=C/C(=O)OC(C)C,553.0
CCCC(OC)(OC)OC,415.0
CCCCCCCCCCC(C)=O,520.0
CCCc1ccccc1C,458.0
C[C@@H]1CCCC1=O,412.5
CCOC(=O)C(C)N=C=S,317.0
COc1ccc(Cl)cc1N,408.0
CC(C)OP(C)(=O)OC(C)(C)C#N,382.0
CCCC1CC1,342.1
C=Cc1ccc(C)nc1,454.0
C=C1C2CCC(C2)C1(C)C,433.0
C#CCCCC#N,389.0
c1ccc2c(c1)cc1ccc3cccc4ccc2c1c34,768.0
COC(=O)c1ccccc1C(=O)OC,555.0
CCCCCCC(Cl)(Cl)C(=O)O,367.5
CC(C)(C)c1ccc(N)c(Cl)c1,357.5
FC(F)(F)C(F)(Cl)C(Cl)(Cl)C(F)(F)F,371.0
CCCCCCCCC(C)=O,484.0
CC(C)CC(O)CC(C)C,451.6
C=C(C)C(C)CCC,383.5
C=C(C)CCCCCC,417.8
Cc1cc(Cl)cc(Cl)c1Cl,503.0
CCC1COC(C)=N1,385.5
CCOC(=O)C(C#N)c1ccccc1,548.0
CC(C)[C@H]1CC[C@@H](C)CC1=O,477.0
CC(O)C#N,456.0
CCN(N)c1ccccc1,510.0
Nc1ccc(O)cc1,557.0
CSc1ccc(N)cc1,545.5
c1ccc2sccc2c1,494.5
COc1ccc(OC)c(Cl)c1,520.0
CC(F)(F)C(=O)O,415.0
CCOc1ccc(Cl)cc1Cl,510.0
c1cc(N2CCCC2)ccn1,445.0
Cc1cc(C)c(Cl)c(C)c1Cl,516.0
Brc1ccc(-c2ccc(Br)cc2)cc1,630.5
CCCCCCCCCC(C)C=O,444.0
CCC1CCNCC1,427.0
FC(F)(F)C=C(Br)C(F)(F)F,328.0
CCOC(=O)CCC(C)C,436.0
C[C@@H](N)CCN,412.5
O=C(Cl)c1cccc(Cl)c1,497.0
CNC(=O)Oc1cccc(C)c1,515.0
CCN(CC)C(=O)c1cccnc1,571.0
C=CCOC(Cn1ccnc1)c1ccc(Cl)cc1Cl,620.0
CCCCCCC(C)(C)O,451.0
CCOC(=O)c1cc2ccccc2o1,549.0
CC(Br)C(C)(Br)Br,479.0
CC(C)(F)F,272.6
CC(C)(C)CN,355.0
CN1CCC(O)CC1,473.0
FC(F)=C(Cl)C(F)(F)F,279.8
C=CCC(O)c1ccccc1,507.0
C=C(CCC)CCC,390.7
CCCC[C@@H]1CCC(=O)O1,507.0
CC1CC(O)CC(C)(C)C1,469.5
C=COC(C)=O,345.5
CCCCc1cccc(CCCC)c1O,526.15
C[C@H](CO)N(C)C,423.3
C/C=C(\C)CCl,383.0
C=CCCO,386.0
ClC1CCCCC1,415.0
CCCc1ccccc1,431.0
C=CC(CC)C(C)C,380.65
C=C(C)C(=O)OC1CC2CCC1(C)C2(C)C,518.0
c1ccc2c(c1)Sc1ccccc1S2,638.0
CCCC(C)c1ccccc1,472.0
C=C1C=CC(C(C)C)CC1,444.5
C=C=O,223.2
S=C=Nc1ccccc1Cl,404.0
O=[N+]([O-])OCC(CCl)O[N+](=O)[O-],465.5
OCc1csc2ccccc12,346.0
O=C(Cl)CCl,378.0
COC(=O)C[N+](=O)[O-],469.5
CCCCC(C)C(C)CC,436.4
Nc1ccccn1,480.0
O=C(F)C(F)(F)C(F)(F)C(=O)F,305.5
C[N+](=O)[O-],374.0
C=Cc1cccnc1,435.0
CC(C)(O)Cc1ccccc1,377.0
CC=CC(=O)OCC,415.5
O=Cc1cc(C(F)(F)F)ccc1F,449.0
OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,434.0
C=CC(=O)OCC(F)(F)F,365.0
c1ccc(CC2CCNCC2)cc1,552.0
COCC(C)OCC(C)OC(C)CO,515.4
CCOC(=O)CC#N,482.0
Oc1cccc(Cl)c1Cl,487.0
CCCCCCC(=O)CCC,479.5
CC(CO)CO,468.0
CC[C@H](C)OC(C)=O,385.0
CCOC(C)OCC,376.0
CP(O)O,435.6
Cl/C=C/Br,357.6
COc1ccc(C(c2ccc(OC)cc2)C(Cl)(Cl)Cl)cc1,619.0
CCCCCC/C=N/O,468.0
FC(F)(F)c1cccc(N=C=S)c1,480.0
CC(C)CN(C)C,353.5
CC=Cc1ccc(O)c(OC)c1,539.0
NC(=O)c1ccccc1N,573.0
Cl/C=C\Cl,333.1
C=CCCCc1ccccc1,474.0
CCCC(O)C(CC)CO,516.0
CC(=O)C1(O)CCCCC1,398.5
CCC/C=C/C=O,419.5
CCCCOc1ccccc1,483.2
OCc1cccc(N2CCCCC2)n1,392.0
O=S(=O)(O)C(F)(F)C(F)(F)F,451.0
COc1cc(C)cc(C)c1C,487.5
CCC(=O)CCC(C)C,437.0
CCCCCCBr,429.0
c1cncc([C@@H]2CCCN2)c1,543.0
c1c[nH]nn1,477.0
CC(C)C[C@H](O)C(C)C,430.5
CC=C(C)C(=O)O,471.4
COc1ccc(Cl)cc1N=C=S,437.5
CCCC(CC)(CC)CC,439.3
CC(C)C(C)C(C)C(C)C,429.2
Nc1c(F)c(F)c(F)c(F)c1F,426.0
Clc1ccc2ncccc2c1,536.0
FC(F)(F)c1ccc(Cl)cc1,411.5
FC(F)CBr,330.3
COc1ccc(C(=O)O)cc1,548.0
O=C(O)C1CC=CCC1,507.5
CCCCC/C(C=O)=C/c1ccccc1,577.8
OC/C=C/c1ccccc1,523.0
O=[N+]([O-])c1cccc([N+](=O)[O-])c1Cl,588.0
CCc1ccc(Cl)cc1,457.4
Brc1cccnc1,446.0
O=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,476.4
c1ccc2c(c1)-c1ccc3ccc4cccc5cc-2c1c3c45,809.0
O=C1CCC(=O)N1c1ccccc1,673.0
CCCCCCCC(C)=O,462.0
CC(=O)CBr,411.0
O=C(OC(=O)C(F)(F)F)C(F)(F)F,312.5
Cc1ccc(O)c(C(C)(C)C)c1,510.0
O=C(O)C1CCCCCC1,532.0
CCC(C)c1ccc(N)cc1,511.0
Oc1ccc(Cl)cc1,493.0
C/C=C\CCCCCC,423.91
Fc1cccc(CCl)c1,344.0
CCOC(=O)C(Cl)C(=O)OCC,495.0
Cc1ccoc1,338.5
OCc1ccsc1,360.0
O=[N+]([O-])c1ccc(CBr)cc1,554.7
CC(C)C(=O)OC(=O)C(C)C,455.0
O=C=Nc1ccccc1F,330.0
CN(C)c1ccc(N)cc1,536.0
CCC(=O)Cc1ccccc1,503.0
C/C=C/CCC,341.0
CCOC(=O)c1ccc(CCl)o1,388.0
CCOC(=O)c1cnc(C(F)(F)F)nc1Cl,368.0
CC(=O)c1cccc2ccccc12,575.0
CC(C)=CCC/C(C)=C/C(=O)O,523.0
FC(Cl)=C(Cl)Cl,344.0
N#CCCl,398.0
CCCC(O)CC,407.9
CCOC(=O)C(Br)Br,467.0
c1ccc(CCN2CCNCC2)cc1,368.0
c1ccc2c(c1)Cc1ccccc1S2,614.0
CC/C=C\Br,372.0
ClCc1cc(Cl)c(Cl)cc1Cl,546.0
Nc1c(Br)cc(Br)cc1C(F)(F)F,331.0
C/C=C\C(CC)CC,386.15
OCC1CCCCO1,460.0
FC(F)(F)/C(Cl)=C\Cl,326.7
Brc1ccc2c3c(cccc13)CC2,608.0
Cn1cc(Br)c(C(F)(F)F)n1,327.0
c1cc2c(c3c1CCCC3)CCCC2,568.0
CCC[C@H](CC)C(C)(C)C,429.1
c1ccc2c(c1)oc1ccccc12,558.0
O=C(O)CBr,481.0
CC1(C)[C@H]2CC=C(CCO)[C@@H]1C2,508.0
CCOC(CCN)OCC,345.0
CCCCCC(CO)CCC,490.5
O=C(Cl)C(Cl)Cl,380.5
CCS(=O)(=O)C(C)(C)S(=O)(=O)CC,573.0
CC1CC1CO,406.0
C=C[N+](=O)[O-],371.5
O=C(O)C(F)(F)Cl,395.0
CCOC(CNCc1cccs1)OCC,380.0
Br/C=C\Br,385.5
CCOC(=O)C(C)OS(C)(=O)=O,377.0
CC(C)CN=C=O,379.0
C=CCC(C(=O)OCC)C(=O)OCC,495.5
CC(C)([N+](=O)[O-])[N+](=O)[O-],458.0
FC(F)(F)/C(Cl)=C(\Cl)C(F)(F)F,341.5
CCOC(=O)c1ccc(Cl)cc1,510.5
CC(C)c1ccc(CO)cc1,521.0
CC1C=CC2C(C1)C2(C)C,442.0
CCCc1nnc(CCC)n1N,453.0
Cc1ccc(N)c(C)c1,491.0
Cl/C=C(\Cl)CCl,415.0
N#CCC#N,493.0
CCCCCC(C)=C(C)C,442.3
CC(=O)CC(C)(C)O,439.0
C[C@@H]1CS1,345.5
Fc1cc(F)c(F)c(Br)c1F,416.0
CC(C)CCCC(C)CCO,485.5
CC(C#N)CCC#N,536.0
O=C(CC(=O)C(F)(F)F)c1ccccc1,497.0
Fc1cc(F)c(F)cc1F,363.0
CCOC(=O)C(F)(F)F,334.0
O=C(Br)CBr,421.5
CC(C)C(N)=O,491.0
C[C@@H]1CCCC[C@H]1O,440.4
FC(F)(F)c1ccc(Cl)cc1Cl,390.5
CCn1ccnc1,481.0
CCCCOc1c(OCCCC)c(=O)c1=O,394.5
OCCCc1cccnc1,557.0
COc1ccc2c(c1)CC(=O)CC2,398.0
C=C(C)C(=O)OCC(O)CC(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F,357.5
CC[C@H](CC(C)C)C(C)C,427.1
Cc1cc(CBr)no1,317.0
CN(C)C(C)(C)CO,433.0
CC(CCO)C(F)(F)F,412.5
NN1CCOCC1,441.0
CC(C)C(=O)O,426.5
CCCCCS,396.5
c1ccc(CN2CCOCC2)cc1,533.5
CCCCC(C)S,415.0
COCc1ccco1,405.0
CC(C)(C)c1ccccc1N=C=O,498.0
CCSSCC,426.0
Cc1ccsc1C(=O)Cl,491.0
OCCc1ccc(Cl)cc1Cl,392.0
O=C(O)C(Cl)Br,488.0
CC[C@H]1C=CCC1,370.8
Nc1ccc(/N=N/c2ccccc2)cc1,639.0
CC#CCCCCCCCC,477.2
Clc1cccc(OCCBr)c1,417.5
CC1C=CCC1,337.9
CCOC(=O)Cc1cccc(C)c1,510.5
CCCC(C)(O)CC(C)C,444.0
C=CCOCCC,364.0
C1CN(CC2OCCO2)CCN1,354.0
NCCN,390.5
OCc1ccccc1Cl,500.0
CCC(CC)[C@H](C)C(C)C,435.0
CCOC(=O)C(F)(Br)C(F)(F)F,396.0
c1ccc(-c2ccncc2)nc1,554.0
FC(F)(F)C1(F)OC1(F)F,245.6
FC(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,471.0
Cc1cc(C)c(N=C=O)c(C)c1N=C=O,375.0
CCCc1c(C(=O)Cl)cnn1-c1cc(Cl)cc(Cl)c1,464.0
O=C1OC(=O)C(F)(F)C(F)(F)C1(F)F,345.0
FC1=C(F)C(F)(F)C(F)(F)C1(F)F,300.0
Cc1ccc(N=C=O)cc1Cl,498.0
CC(C)(Cl)C=O,363.0
CC/C=C/CCCCCCC,466.46
C(CCC1CO1)CC1CO1,513.0
OCCOCCOCCO,558.0
CCC1CCCCC1C,429.0
NCCNCCO,513.0
BrC[C@H]1CCCO1,443.0
CC(=O)c1cc(C)c(C)cc1C,519.5
CCCCCCC(=O)OCC(C)C,481.0
CCCC(C)(O)C(C)(C)C,443.0
CCCO[N+](=O)[O-],383.0
CCCCC=O,376.0
C=CCO,370.0
COCC1CO1,383.5
CCCC[C@H](C)C(C)C,413.5
CCc1ccncc1,440.0
O=CC(Cl)Cl,362.2
Cc1cc(C)c(C)c(O)c1,503.5
Oc1cc(Cl)cc(Cl)c1Cl,521.5
CC(C)CCCCCCC=O,470.0
C=CC(=O)OC(C(F)(F)F)C(F)(F)F,357.0
c1ccc(C2CCCC2)cc1,492.0
Cc1nc2ccccc2o1,473.5
BrC=C(Br)Br,437.0
CC(C)OC(=O)Cl,378.0
CC1=CCC(C(C)C)CC1,446.0
C=CS(=O)(=O)C=C,506.5
C1=CCCCC1,356.0
CCOC(=O)Cc1csc(C)n1,387.0
ClCCCCCBr,484.0
CCOC(=O)C(=O)c1cccs1,379.0
CCC(Cl)(Cl)Cl,381.0
C=CCOC(F)(F)C(F)(F)S(=O)(=O)F,386.0
FC(F)(F)C1(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F,321.0
CCCCCCC(Cl)Cl,464.0
CCCC(C)CC(C)C,405.9
CCCC(C)(CO)CO,503.0
CCCCCCOc1ccc(Br)cc1,383.0
CSCc1ccccc1,469.5
CCCCOC(=O)c1ccco1,506.0
CCCCOC(=O)C(Cl)(Cl)Cl,477.0
Cc1ccc(C)c2ccccc12,541.0
Cc1ccc(Cl)c(N)c1,502.0
O=C(c1ccccc1)c1cc(F)ccc1F,394.5
Nc1ccccc1Cl,482.0
O=[N+]([O-])c1ccccc1OCCBr,401.5
Cc1cnccc1Cl,349.0
Cc1cc(C(=O)Cl)c(-c2ccccc2)o1,395.5
C[C@H]1CN[C@@H](C)CN1,435.0
N#CN1CCOCC1,345.0
Cc1csc(C(C)C)n1,448.0
NCC1CCCC(CN)C1,493.0
CC(C)=CC=O,405.5
Oc1ccc(Cl)cc1Cl,482.5
CCOC=O,327.0
C=C(C)C(=O)OCCO,479.5
CC/C=C/C(C)(C)C,378.5
CCCC(Cl)Cl,386.8
CCNC(C)C,345.0
FC(F)(F)c1cc(N=C=S)cc(C(F)(F)F)c1,336.0
Oc1cc(F)ccc1Cl,457.0
C=C(C)C(C)C,329.0
N#Cc1cc(F)cc(F)c1,433.0
Fc1ccccc1C(Cl)Cl,501.0
Cc1cccc(C)c1S,349.0
CCCCOC(=O)OCCCC,443.0
O=Cc1cc(C(F)(F)F)ccc1Cl,316.0
FC(F)(F)/C(Cl)=C(/Cl)C(F)(F)F,341.5
COC(=O)C(Cl)(Cl)Cl,426.8
CN1C(=O)c2ccccc2C1=O,559.0
C[C@@H]1CCC[C@@H](C)C1,397.5
COc1ccc(C(=O)C2CC2)cc1,368.5
C/C=C(\C)CC(C)C,385.15
CC(C)CCCC(=O)O,489.0
O=C(O)CCC(F)(F)F,439.5
C=C/C(C)=C\C,350.0
CCCOc1ccccc1O,500.0
C#CCNC,356.0
CN1CCN(c2cccc(C#N)c2)CC1,409.0
CCOCCBr,399.0
C=CCc1ccc(OC=O)c(OC)c1,543.0
c1ccc(-c2cccc(-c3ccccc3)c2)cc1,636.0
O=COCCOC=O,447.0
CCCCCCCCCC[C@H](C)O,525.0
CC1CC=C(C(C)C)CC1,440.5
CCCCCCCCF,416.0
Cc1cccc2c1C=CC2,482.0
CC(O)C(F)(F)C(F)(F)F,357.0
C=C(C)F,249.0
CC(C)(C)C(=O)NN,368.0
CCCCCCC(=O)Cl,446.0
Cc1cc(Br)ccc1N,513.0
Cc1cccc2[nH]ccc12,540.0
CCOC(=O)CP(=O)(OCC)OCC,534.0
FC1=C(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F,325.0
CCC(C)CCC(C)CC,433.8
CCCCCC(C)Br,439.0
CCCN=C=O,356.5
COc1ccc(CCO)cc1,608.0
COCC(COC)OC,421.0
CC[C@H](C)CC[C@@](C)(O)CC,475.2
FC1(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,391.0
CCOC(=O)C(C)(C)C,391.0
CC=C(C)C(=O)OCC,429.0
CNc1nc(NC(C)C)nc(SC)n1,618.0
C/C=C\CC(C)CC,391.15
CCCC(C)CC(C)(C)C,421.3
S=C=NCc1ccccc1,516.0
CN(C)C(F)(F)C(F)F,350.0
CCCCc1ccc2ccccc2c1,565.0
O=Cc1cc(Cl)cc(Cl)c1,513.0
CCOC(=O)CCC(F)(F)F,400.0
CCc1cccc(CC)c1,454.1
CCN(CC)CCOCCO,494.5
O=C(F)c1ccccc1,433.0
CCCCC#N,413.0
O=COCCCc1ccccc1,523.0
FC(F)OC(F)(F)C(F)C(F)(F)F,320.0
N#C/C=C(/Cl)C#N,445.0
O=S(=O)(Cl)c1ccc(C(F)(F)F)cc1Cl,348.0
CC(C)CCCC(C)(C)C,421.9
CC(C)COC(=O)CC(C)C,441.5
COc1ccc(Br)c(C(=O)Cl)c1,383.0
COC(=O)C(C)Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1,643.0
CSc1nc2cc(Oc3cccc(Cl)c3Cl)c(Cl)cc2[nH]1,769.0
C1COCCO1,374.0
C=CC1CCC2OC2C1,442.0
CCCCCCCl,408.0
CC/C=C(/C)C=O,409.5
Oc1c(F)c(F)c(F)c(F)c1F,416.0
CC(C)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1,589.0
O=C(O)C(F)C(F)(F)F,393.5
FC(F)(F)C(F)(Cl)C(F)(F)Cl,307.1
CCOC(=O)C(=O)C(=O)OCC,482.0
CC(C)CC(C)CC(C)C,420.6
C=C1CCOC(c2ccc(O)c(OC)c2)C1,539.0
CCCCOC(=O)[C@H](C)O,459.0
Cc1ccc(C(F)(F)F)cc1,402.0
Cc1cccc(Br)c1C,487.0
OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CO,523.0
C=C(Cl)Cl,304.4
CC(=O)c1ccncc1,485.0
Cc1cc(C=O)ccc1F,481.0
C#CC(C)C,299.3
CCCCCCC1CCC(=O)O1,554.0
O=C1CCCCC1C1CCCCC1,537.0
CCC(O)C(C)CO,493.45
C1=CCCCCCC1,418.5
CCC(c1ccccc1)c1ccccc1,554.6
CC(C)(C)S,336.5
C1CCC2=NCCCN2CC1,534.0
Cc1ccc(C(C)C)c(C)c1,470.0
CCCCCCC=O,423.0
C=CCCC(C)CC,386.3
CCOC(=O)C(=O)NC(=O)OC(C)(C)C,407.0
Oc1ccc(Br)cc1,511.0
O=CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F,321.0
CC(C)(C)CC(C)(C)C,395.2
Cc1ccc(CO)cc1C,492.5
O=C1CC=CCC1,443.0
Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl,583.0
Cc1ccc2c(C)ccc(C(C)C)c2c1,567.0
CC(=O)OC(OC(C)=O)c1ccccc1,493.0
CC(=O)c1ccccc1C(C)=O,383.0
C=CC(C)CCCC,384.0
Cc1ccccc1CC=O,494.0
ClC(Cl)C(Cl)(Cl)Cl,435.0
Cc1ccccc1CC(C)C,469.0
CC(Cl)CCCCl,435.0
CC(Cl)=CCCl,400.0
c1ccc(C2CCOCO2)cc1,523.5
c1ccc(N(C[C@H]2CO2)C[C@@H]2CO2)cc1,477.0
O=[N+]([O-])c1ccc(O)cc1,552.0
c1ccc(Sc2cccs2)cc1,384.0
CCC1(O)CCCCC1,439.0
COC(=O)/C=C(\Cl)C(=O)OC,497.0
CC/C=C\O,396.0
COC(=O)C=CC(=O)OC,477.5
CCOC(=O)CC(C)C,405.0
OCc1c(F)c(F)cc(F)c1F,495.5
O=[N+]([O-])OCC(O)CO,430.5
O=COC1CCCCC1,436.0
CC1(C)CO1,324.5
CCOC(=O)c1ccc(O)cc1,570.5
CC(=O)c1sc(C)cc1C,334.0
COC(=O)c1cccc(C(=O)OC)c1,397.0
CNC(=O)Oc1cc(C)cc(C)c1,512.7
C=COCC(C)C,357.0
COC(C)CCO,434.0
COCCC(=O)OC,415.5
Cc1c(N=C=O)cccc1N=C=O,519.5
O=S(=O)(O)Cl,424.5
CC(=O)c1ccc(Cl)cc1,505.0
CCOC(=O)c1ccc2c(c1)OCO2,558.5
CCC=CCO,411.0
CC(=O)OC(C)CCCC(C)C,460.0
CC(=O)c1ccccc1,475.0
O=C=NC1CCCCC1,442.0
CC(=O)c1ccc(Cl)s1,390.5
c1ccc(N(CC2CO2)CC2CO2)cc1,477.0
N#CC1(C(=O)O)CC1,416.0
CCCCCCCCCCBr,511.0
Cc1cc(CO)no1,337.0
CCC1CCC(C)(C)c2ccc(N=C=O)cc21,362.0
O=Cc1c(F)c(F)c(F)c(F)c1F,438.0
CC1CCSC1,412.0
O=C1c2ccccc2C(=O)c2ccccc21,653.0
Cc1cccc2ccoc12,463.5
C=C(Br)Br,365.0
CCCCCCCCC(O)CO,528.0
CCC(C)(C)C(=O)Cl,405.0
O=C(Cl)C(F)(F)C(F)(F)C(=O)Cl,359.2
C=C1C(=O)O[C@H]2C[C@@]3(C)CCC[C@H](C)C3=C[C@H]12,548.0
Oc1cccc(F)c1,451.0
CC(C)=CCCl,382.0
COc1ccccc1N1CCNCC1,404.5
CCC[C@H](C)CCC(C)C,431.5
CCCC(=O)CCC(C)C,451.0
N#Cc1nc(C#N)nc(C#N)n1,535.0
[C-]#[N+]C(C)c1ccccc1,371.0
ClCC1CCCO1,423.5
C=C(C)CC(C)(C)C,374.5
Cc1cccc([N+](=O)[O-])c1C,518.0
COC(=O)C(Cl)C(=O)C(C)(C)C,329.0
CCCC(C)O,391.5
CNCC(O)CO,520.0
COc1ccc2c(c1)CCCN2,557.0
CC1(C)CCCC(O)C1,458.0
CCc1cc(C)nc(C)c1,460.5
O=C(Cl)C1CCCCO1,328.0
C=C(C)CCC,335.0
O=C(c1ccccc1)n1ccnc1,393.5
CC1(C)OCC(CO)O1,461.5
CC/C(Br)=C/Br,423.0
Cc1cnc[nH]1,536.0
CN(C=O)c1ccccc1,516.5
Cc1ccc(C(C)C)cc1O,511.0
CN(C)N=O,427.0
O=[N+]([O-])c1ccc(Cl)c(Cl)c1,528.5
O=[N+]([O-])c1cc(F)ccc1F,479.5
CC1(C)OC(CO)C(CO)O1,365.0
C=C(C)C(=O)OCCN(C)C,460.0
CCC/C=C\C(C)C,385.15
c1cc(-c2ccncc2)ccn1,578.0
CC(C)N(C=O)C(C)C,469.0
CCCCC(C)(C)CCC,430.5
O=C(Cl)OCCl,380.0
CC(=O)CC(=O)OC(C)C,459.0
CC(C)c1cccc(C(C)C)c1N,530.0
CCCCOC(=O)CC(=O)OCCCC,524.5
c1ccc(-c2ncc[nH]2)cc1,613.0
CCC[C@H](C)[C@H](C)CC,413.6
COCCOC,358.0
Cc1ccc(CO)cc1,490.0
CC1(C)CC(N)CC(C)(C)N1,461.5
CC=CBr,333.5
COC(=O)CCC(C)=O,469.0
CCCC[C@@H](C(C)=O)C(=O)OCC,494.5
C=CC=C(C)C,349.5
CCOC(OCC)OCC,419.0
C=C1CCCCC1,375.5
CC(=O)c1cccc(Cl)c1,501.0
FC(C(F)(F)F)C(F)(F)OC(Cl)Cl,371.0
O=C(Cl)/C=C/c1ccccc1,530.0
CCC=CCCO,429.5
CC(C)(C)OC(=O)OC(=O)OC(C)(C)C,310.0
CCCCCCCCC[C@@H](C)C=O,444.0
C=COC(=O)C=C,364.0
CCC(C)CC(CC)CC,431.2
Clc1ccc(Br)c(Cl)c1,508.0
CCOC(=O)C(Cl)Cc1cc(-n2nc(C)n(C(F)F)c2=O)c(F)cc1Cl,625.5
CC1CCC2C(C1)C2(C)C,442.0
C=C(Cl)C(=C)Cl,371.0
CC(C)(C)c1ccc(C(C)(C)C)cc1,509.0
COc1c(F)c(F)c(F)c(F)c1F,411.5
C[C@@H]1CCC[C@H](Br)C1,454.0
CC(C)N(N=O)C(C)C,467.5
Cc1ccsc1Br,447.5
C1=CCC=C1,314.0
C1CCNC1,360.0
CC(=O)c1cc(C)ccc1O,483.0
CC(C)CCCC(C)(C)O,453.0
COC(=O)c1cc(C)cs1,338.0
O=CC1CC=CCC1,378.0
CCCCCCCCCOC(C)=O,483.0
CCC(Br)Br,406.5
CNC1CCCCC1,422.0
CC1CC(C)CC(C)(C)C1,425.5
CC(O)C1CC1,394.0
c1ccc(P(c2ccccc2)c2ccccc2)cc1,650.0
CC1CCC(O)CC1C,462.0
CCCCCCCCCc1ccccc1,555.0
O=C1C(=O)c2ccccc2-c2ccccc21,633.0
CNc1ccc(Cl)cc1Cl,342.0
CC(C)OCCCN,423.0
CCCC(=O)C(C)C,408.0
CC(C)(CO)CO,481.0
CC(C)(C)c1ccccc1O,497.0
CCCc1ccccc1N,499.0
CC[C@H](C)N[C@H](C)CC,408.0
CCC(=O)C(F)(F)F,317.5
N#CC(C#N)=Cc1ccccc1Cl,585.5
CCCCSC#N,459.0
COc1cccc(OC)c1C=O,558.0
CCCCCCCCCO,487.0
CC1CCCC(C)C1O,447.4
CCCCC[N+](=O)[O-],445.5
CCCCCC(=O)CCC,460.5
Cc1ccco1,337.5
Cc1cc([N+](=O)[O-])c([N+](=O)[O-])cc1[N+](=O)[O-],573.0
N#CC1(c2ccc(Cl)cc2)CCC1,568.0
O=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,518.0
C=C(C)C(=O)OCCOC(=O)CC(C)=O,373.0
OCC(F)(F)C(F)(F)C(F)(F)F,368.0
COc1ccc(C=O)cc1OC,554.0
CCOP(=O)(OCC)SCCN(CC)CC,588.0
C/C(=C/CCC1(C)C2CC3C(C2)C31C)CO,574.5
Brc1cc(Br)c(Br)c(Br)c1,602.0
Cc1ccc(C)c(N=C=O)c1,483.0
O=Cc1ccc(F)cc1C(F)(F)F,387.0
CC(C)=CC=C(C)C,406.0
C/C=C/[C@@H](C)CC,360.6
CCc1ccccn1,422.0
CCOCCC#N,444.0
CSCCSC,456.0
CCCCC(C)=O,400.0
CCCCC(C)(C)CO,445.5
CC(CCN(C)C)N(C)C,438.0
CC1CCCCCC1=O,458.0
CN(C(=O)OC(C)(C)C)C1CCNC1,369.0
CCCCC(C)CO,437.15
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)Cl,381.0
C=COC(C)(C)C,351.0
CCC(C)(Cl)Cl,377.0
Nc1ccc(-c2ccccc2N)cc1,636.0
CCc1ccc(CC)cc1,457.0
Fc1cc(F)c(Br)cc1F,416.5
Cc1ccc(OC(=S)Cl)cc1,518.0
COCC1CCCO1,413.0
CCC1C2C=C(C)CCC21,440.5
Cc1c(F)cccc1Cl,428.0
FC(F)C(F)C(F)(F)F,279.5
[C-]#[N+]C(C)(C)C,364.0
COCCl,332.5
CCCCCCCCCC(=O)OC,497.0
Cc1ccccc1C,415.0
CC(C)C(=O)OC1CCCCC1,477.0
CCCCCCc1ccc2ccccc2c1,597.0
CCN(CC)CCCN,442.5
O=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,441.0
CCCC(=O)OC1CCCCC1,486.0
CC(C)(C)P(Cl)Cl,419.0
O=[N+]([O-])c1cccc(C(F)(F)F)c1,475.8
Cc1ccccc1C=O,472.5
CCOC(=S)C(=S)OCC,508.0
CCCCC(C)CCC,415.4
COS(=O)(=O)F,366.0
O=C(O)C1CCCCO1,364.5
CC(=O)Oc1cccc(O)c1,556.0
CNCCc1ccccc1,476.0
O=C1CC(C(=O)O)CC(=O)C1=C(O)C1CC1,493.0
COc1ccc(C)cc1N,508.0
O=C1c2ccccc2-c2ccccc21,615.0
CCCCCCc1ccc(N)cc1,555.0
CCCN(C(C)=O)c1ccccc1,541.0
COc1cccc(C(F)(F)F)c1,433.0
CCCCCCCCCCCC(C)=O,536.0
CCCCC(C)C,363.0
CCCCOC(=O)CCCC,458.8
FC(F)(Br)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)Br,432.0
CC(=O)OCCOCCOCCOC(C)=O,559.0
NC(CO)CO,388.5
CCCCCCC(C)Cl,445.0
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,398.8
ClP(Cl)c1ccccc1,498.0
COC(=O)SCl,406.5
CCOC(=O)c1ccccn1,513.5
FC(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F,330.6
CCOCCOC(C)(C)C,421.0
CC(=O)OC1CCCCC1,446.5
CCC(=O)C(=O)CC,403.0
FC(F)(F)C1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C1(F)F,375.0
CC1=C(O)C(=O)OC1C,457.0
CCCC(=O)C(=O)O,452.0
Cc1ccc(O)cc1,475.0
CCCCCCC(C)O,448.0
CCCCSCCCC,461.5
O=[N+]([O-])c1ccccc1-c1ccccc1[N+](=O)[O-],578.0
CC/C=C/CO,411.0
CCCCCCCCC#N,497.0
COc1ccccc1NC(C)=O,577.0
O=C(Cl)c1cccc([N+](=O)[O-])c1,549.5
FC(F)(F)c1ccc(-n2ccnc2)cc1,363.0
CCC(C(C)C)C(C)C,409.7
Cn1ccc2ccccc21,510.5
CCC[C@@H](C)CC,364.0
N#CCBr,379.0
Cc1cccc(C(C)C)c1O,498.5
CC(C)(c1ccccc1)c1ccc(O)cc1,608.0
C=CC(C)(C)C,314.0
NC(=O)c1ccccc1[N+](=O)[O-],590.0
CC1CCCC1=O,412.5
Cc1cc(Cl)c(O)c(Cl)c1,504.0
O=C=NS(=O)(=O)Cl,379.0
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)Br,391.0
CCCC[C@H](C)[C@H](C)O,439.1
CC1(C)C2CC=C(C=O)C1C2,493.5
c1ccc(-c2ccccn2)nc1,545.5
CCC(=O)OCCOC(=O)CC,484.0
O=[N+]([O-])OCC(CO[N+](=O)[O-])O[N+](=O)[O-],523.0
CC(C)CN1CCOCC1,454.0
O=S(=O)(O)O,563.0
CCCCCCC1CCCC1,476.0
C=CCCCCCCCCC,465.7
O=C(Cl)OCCCCl,450.0
COc1ccc(COC(C)=O)cc1,508.0
CCCC(C)Br,389.5
COC(=O)C(Br)Cc1ccc(OC(F)(F)F)cc1,375.0
c1ccc2nc3ccccc3nc2c1,633.0
CC(C)(C)NCc1ccccc1,492.0
CCCCC(=O)OCc1ccco1,501.0
CCOC(=O)C1CCN(c2nccc(C(F)(F)F)n2)CC1,382.0
O=c1ccocc1,485.5
CC(=O)Nc1ccccc1,577.0
CCOC(=O)NC,443.0
CCC/C(C)=C(\CC)C(C)=O,463.0
c1ccc2nocc2c1,488.0
CCc1ncc(C)cc1C,471.0
CNCCN(C)C,390.0
O=C(OCCCl)OCCCl,514.0
C=CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C=C,396.0
COC(=O)c1cc(F)c(Cl)nc1Cl,358.0
CCN(CC)CCNC,431.5
S=C=Nc1cccc(Cl)c1,522.5
COP(C)(=O)OC,454.0
CC(C)/C=C\C(C)C,375.15
O=CC(Br)(Br)Br,446.5
CSSC,382.0
CC[C@H](C)[C@H](C)[C@H](C)O,438.5
O=C(Cl)Cc1cccc2ccccc12,409.0
CCCNC,335.0
CCC(C)CN,368.5
CC(C)[N+](=O)[O-],393.5
CCOC(C)(C)C,344.0
CN(C(=O)Cl)c1ccccc1,553.0
Cc1cc(C(C)(C)C)cc(C)c1O,521.0
CC(=O)OC/C=C(/C)CCC=C(C)C,513.0
C=C(C)C(=O)O,436.0
CCOC(=O)C(Cl)C(C)=O,473.0
CC(C)(C)OC=O,355.5
O=P(Cl)(Cl)Oc1ccccc1,515.0
c1ccc(C2CO2)cc1,467.0
CCC=O,321.0
CCOC[C@H](O)CO,495.0
CC(Cc1ccccc1)c1ccccc1,553.5
CC(C)c1cc(C(C)C)cc(C(C)C)c1,507.0
C#CCO,387.5
Cc1ccc2ccc(C)cc2c1,536.0
C1CSCCS1,472.5
C=CC(=O)OCCOCC,447.0
FC(F)C(F)(F)[C@@H](F)Cl,301.1
CCCCCC(=O)CC,440.5
CCC(C)OC(=O)CCC(=O)OC(C)CC,529.0
CCC(C)CC,337.0
CC(C)CCOC(=O)c1ccccc1,534.0
COCC(C)C,331.6
CC(C)OC(=O)C(C)Cl,424.5
CC[C@H]1CC[C@H](C)C1,394.0
Cc1ccccc1-c1ccccc1C,529.0
CNCCCN,413.0
O=COC/C=C/c1ccccc1,525.0
c1cncc(C2CCCCN2)c1,543.0
CC1=CC2CC1C1C(C)=CCC21,473.0
O=C1c2ccccc2C(=O)c2c(O)ccc(O)c21,723.0
COC(=O)c1ccccc1OC,520.0
O=[N+]([O-])c1cc(Cl)ccc1Cl,540.0
CCCC#CCCCCCC,471.5
CC1(C)[C@H]2CC[C@]1(C)[C@H](O)C2,483.0
CCCCOC(=O)CCC(C)=O,380.0
O=C1C=CCCC1,441.0
C=CCCCCCCCCC(=O)O,548.0
CCOP(=O)(Sc1ccccc1)Sc1ccccc1,427.0
CCC(C)O[N+](=O)[O-],397.0
O=C(O)CCCCCCCC(=O)O,510.0
C=COCCCl,382.0
CCCCCC(=O)OCCC(C)C,498.5
Nc1ncccn1,431.0
CCC/C=C/c1ccccc1,490.0
CCCc1ccncc1,458.0
O=S(=O)(Cl)c1c(F)cccc1F,369.0
C1=CC=CCC=C1,390.0
CCCCOC(=O)CCC(=O)OCCCC,547.5
CCOC(=O)C=CCP(=O)(OCC)OCC,407.0
Clc1ccc(Br)cc1Cl,510.0
CC(C)(C)C(=O)Cl,378.0
CCOP(=O)(SC(C)CC)SC(C)CC,388.0
CCCC,284.9
CCCC(C)C(C)(C)C,406.6
CC(=O)CC(C)C(C)=O,469.0
C=CCN,326.0
CC(C)CCCCCCO,479.0
CCCCC(C(F)(F)F)(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F,411.0
Nc1ccccc1N,530.0
O=C(C=Cc1ccccc1)c1ccccc1,619.5
CCCCCCCC=C(C)C,465.2
O=C(O)[C@H]1CC=CCC1,507.5
O=S(=O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1,670.0
OC1C=CC=C(F)C1O,350.0
C=Cc1ccc(N)cc1,522.0
Cc1csc(CC#N)n1,355.5
N#Cc1cc(C(F)(F)F)ccc1Cl,484.0
OCCSc1ccccn1,380.5
O=Cc1ccc(Cl)cc1,487.0
CCCCC(C)CC,391.0
CN(C)C=S,498.0
CC(C)C(C)N,358.5
Nc1ccccc1F,455.5
CC(C)CC1CCCC1,421.0
CC1=CC(=O)CCC1(C)C,490.0
c1ccc(CN2CCCNCC2)cc1,367.5
C=C/C=C\Cl,341.0
OC1CCCC1,412.5
FC(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,432.0
CCCCC(C)(CC)CC,436.8
O=C(c1ccc(Br)cc1)c1ccc(Br)cc1,668.0
C/C=C(/C)C(=O)OC,412.0
CC(C)Sc1ccccc1,481.0
ClCCCl,356.0
Cc1ccc(Cl)cc1,435.0
C#CC(C)=O,358.0
FC(F)Oc1ccccc1,372.0
C=C(C)CCC(C)=O,423.0
CC1=CC[C@@H](C(C)(C)O)CC1,490.5
COc1c(Br)cc(Br)cc1Br,571.0
O=C=NCc1ccccc1Cl,511.0
CCOC(=O)c1ccccc1,485.0
CC(C)CCCCCO,461.0
C1CCC2CC2C1,389.5
CC(C)CC(=O)OC(=O)CC(C)C,488.0
C=Cc1ccc(F)cc1,419.5
Cc1ccc2cccc(C)c2n1,528.3
c1ccc2nccnc2c1,494.5
C#CCCC#C,359.0
CCOP(=O)(Cc1cccc2ccccc12)OCC,476.5
Cc1cccc(N)c1C,494.5
C/C=C/CC(C)C,361.1
OC1C=CCCC1,437.0
COc1cc(C(C)=O)ccc1O,570.5
COC(=O)CC(C)C(=O)OC,469.0
FC(F)(F)C1(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)C1(F)F,373.5
CCC[N+](=O)[O-],405.0
N#CCc1coc2ccccc12,393.0
C=CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,375.0
O=C(CBr)c1ccc(Br)cc1,414.5
OCc1cccc(CN2CCOCC2)c1,438.0
C1=NN(c2ccccc2)CC1,546.0
CC(C)C/C=N/O,434.3
C=CCC,266.8
OC(c1ccccc1)(c1ccccc1)c1ccccc1,633.0
C=CCCCC#N,435.5
CCCC(CCC)C(C)C,431.9
CC(C)C(O)c1ccccc1,496.0
CCC(C)COC(C)=O,413.0
C[C@@H]1CC1(C)C,327.0
O=[N+]([O-])c1ccccc1Br,531.0
Fc1c(F)c(F)c(CBr)c(F)c1F,447.5
COC(=O)C(C)=O,408.5
CC12CCC(CC1)C2(C)C,434.0
CC(=O)Oc1ccccc1,469.0
NCCCO,460.5
O=C=NCc1ccc(F)cc1,320.0
CC(=O)CC(=O)c1ccccc1,534.5
C/C=C/c1ccccc1O,493.0
CC(C)CC(C)(C)O,406.1
CCCC(C)S,385.9
c1ccc2c(c1)OCCO2,521.0
CC1CCCNC1=O,522.5
CCCCCCCC(C)C,440.1
COC(C)CC(OC)OC,430.0
COc1cccc(CC(=O)c2cccc(F)c2)c1,401.0
C1=CCCCC=C1,393.5
NC(=O)C(F)(F)F,435.5
CC(C)(C)c1cccc(C(C)(C)C)c1O,526.0
CC(C)C(C)(O)C(C)C,429.5
Cc1cccc(F)n1,413.5
CCCc1cccs1,432.5
C1CCC(OC2CCCCC2)CC1,515.5
CCc1cccc(N)c1,485.0
CCC(C)ON=O,341.5
BrCOCBr,427.5
Cc1csc(N)n1,504.5
CC(C)CC(C)(C)C,371.5
Cc1ccc2ccc(C)nc2c1,537.5
N#CCc1ccc(N)cc1,585.0
CC(=O)OCC(F)(F)F,351.0
CCCOC(=O)Cl,388.2
NCc1cccc(N2CCCCC2)n1,365.0
CC1=CC(=O)CC(C)C1,484.5
CCCCOC1CCCO1,395.5
C[C@@H]1C=CC(=O)O1,482.0
CCC(CC)[C@@H](C)CC,413.0
C=CCC=CC,338.0
CC(C)C(Cl)Cl,379.5
CCCC(=O)C(C)=O,401.0
Cc1cccc(C)c1Br,476.5
CC(CO)OCC(C)OC(C)CO,544.0
N#Cc1ccccc1Br,525.0
FC(F)(F)C(F)(F)C(F)(F)CC1CO1,384.5
ClP(N1CCOCC1)N1CCOCC1,363.0
Brc1ccccc1-c1ccccc1,570.5
c1ccc2c(c1)ccc1[nH]c3ccccc3c12,721.0
Cc1cccc(C)c1Cl,455.5
O=Cc1cccc([N+](=O)[O-])c1,560.5
CC(C)CC=O,363.0
OCCCC(F)(F)F,398.0
F[C@@H](OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F,314.0
CC(=O)Cc1ccccc1,489.0
CCCC/C=C/C(=O)O,499.5
CC(C)(C)C1CCCCC1O,482.0
Cc1cccc(C(C)(C)C)c1O,503.0
c1c2c(cc3c1CCCC3)CCCC2,567.0
C#CCC(C)C,334.5
CSCCN,421.0
C=C(C)Br,321.0
c1cc2c3c(c1)CC[C@@H]3CCC2,522.0
CC(C)CCN,369.0
ClC(Br)Br,390.5
CCc1cccc(C)c1N,504.0
CCCCOS(=O)OCCCC,503.0
CCC(C)N=O,425.5
C/C=C(\C)C(C)C,362.0
N#CCCC#N,539.0
Brc1cccc(C2OCCO2)c1,405.5
CC[C@H]1CCc2ccccc21,485.0
ClCCCCCCCl,481.0
CC1SC(C)SC(C)S1,519.5
C(=C/c1ccccc1)\c1ccccc1,580.0
COC(=O)c1cccnc1,482.0
COCC(C)OCC(C)OC(C)=O,473.0
Fc1cccc(-n2ccnc2)c1,353.0
COC(C(F)(F)F)C(F)(F)F,323.0
N#CC#CC#N,349.5
C=CC(C)CCCCC,411.39
ClCC(Br)CBr,469.0
CCC(CC)C(C)(C)O,429.15
BrCc1ccc(CBr)cc1,518.0
CCOC(=O)C(F)Cl,402.0
CC/C=C(\C)C=C(C)C,411.0
CCC/C=C/C(=O)O,489.5
CCSc1ccc(C)cc1,493.0
Cc1cccc2c1CCC2,478.3
CCC1CCC(C)(C)c2ccc(C(=O)Cl)cc21,380.5
C=CCCCCCCCCO,509.0
OCc1ccc(Cl)c(Cl)c1,422.5
O=[N+]([O-])c1ccc(CCl)cc1,385.0
CCCl,285.3
CCOC(C(F)(F)F)(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F,382.0
Nc1cccnc1Cl,405.0
Cc1ccc2cccc(C)c2c1,536.0
C=CC=C,268.6
FC(Cl)C(F)(Cl)Cl,345.5
Cc1ccccc1CC#N,520.0
COc1cccc(C(C)=O)c1,513.0
ClCC(Cl)=C(Cl)Cl,440.0
O=C(O)C(F)(F)C(F)(F)C(F)(F)F,394.4
CCCCCC(=O)OCCC,460.0
CC(=O)C1CCCCC1=O,498.0
C=CCP(=O)(OCC)OCC,370.0
CCCCCC(=O)OC(=O)CCCCC,520.0
CC(C)c1ccccc1Cl,464.1
O=Cc1cccc(Oc2cccc(C(F)(F)F)c2)c1,403.0
c1cncc([C@@H]2CCCCN2)c1,549.0
C/C(=C\C(=O)c1ccccc1)c1ccccc1,615.5
CC(C)CC(=O)CC(C)C,442.4
CCCOC(=O)[C@H](C)O,443.0
CCOC(=O)Cc1ccc(O)cc1,414.5
CC(=O)CCC(=O)OCC(C)C,501.0
CC(Cl)CBr,391.0
CC(C)(C)C=O,348.0
c1ccccc1,352.1
CN1C2CC3CC1C(O3)C2O,521.0
COc1ccccc1CN,505.0
CC(C)C(c1ccccc1)C(C)C,493.7
O=C=C=C=O,279.8
CCCC(C)(O)CCC,434.0
CCOC(=O)[C@@H]1CC=CCC1,467.5
C/C=C/CCl,346.0
CCCc1ccccn1,440.0
CCOC(=O)CC(=O)C(F)F,435.0
CC/C=C(/C)CC,368.55
OCCOCCOCCOCc1ccccc1,405.5
NNCCO,492.0
CC12CCC(C1)C(C)(C)C2=O,466.0
C1CC2CC12,318.5
CCOC(=O)C1CCN(Cc2ccccc2)CC1,395.0
Cn1c(=O)n(C)c(=O)n(C)c1=O,547.0
O=C(O)C(Br)(Br)Br,518.0
CC1CCC(C)CC1,399.0
C1CCN(CCN2CCCCC2)CC1,538.0
O=C(O)/C(F)=C/c1ccccc1,563.0
CC=CC(C)O,433.5
COC(=O)c1ccc(C)cc1O,516.0
COc1ccc(F)c(C)c1,447.5
OCc1ccco1,443.0
O=CC=O,323.4
CCOc1ccc(C=O)cc1OCC,552.0
Oc1cccc2ccccc12,552.0
O=CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,364.0
CC(C)C(=O)C(=O)O,443.5
FC(F)C(F)(F)Cl,263.0
Cc1ccc(N)cc1N,557.0
BrCCCCCBr,497.0
CCC(=O)c1ccc(F)cc1F,324.5
CC=COCC,344.5
CCCCCCCCOC(C)=O,484.0
COc1ccc(C(OC)OC)cc1,508.0
CCC[C@H](CC)C(C)C,411.0
COC(=O)c1cnc(Cl)nc1C(F)(F)F,350.0
Cc1ccc(C=O)c(O)c1,496.0
c1ccc2c(c1)Cc1ccccc1C2,578.0
OCCCCCCCO,532.0
CNc1cccc(Cl)c1,340.0
O=[N+]([O-])c1ccc(Cl)cc1Cl,531.0
CC(CCl)CCl,409.4
CCc1ccccc1CC,457.0
NCCCCCCN,477.5
Cc1ccc(F)nc1,427.0
FC(Cl)C(F)(F)Cl,302.5
O=C(O)C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F,328.0
CC(Cl)=C(Cl)Cl,391.0
CCS(=O)(=O)CC,521.0
FC(F)=C(F)OC(F)(F)C(F)(F)C(F)(F)F,308.5
CCOC(=O)C(C)(C)CCl,312.0
S=C=NC(c1ccccc1)c1ccccc1,409.0
Nc1cccc(Br)c1,524.0
CC1OC(C)OC(C)OC(C)O1,464.0
Cc1cccc2[nH]nnc12,433.0
ClC[C@H]1CO1,389.0
N#Cc1ccncc1,469.0
Nc1ccccc1OC(F)F,478.0
C=C(C)C(=O)OCC(F)(F)C(F)F,397.0
Cc1cccc(CC#N)c1,513.5
NCCN1CCCCC1,459.0
O=C(O)CCC(=O)O,508.0
CC(=O)c1ccc(-c2ccccc2)cc1,599.0
C=C(Cl)c1ccccc1,472.0
CCCCNc1ccccc1,514.0
CC(C)(C)C(=O)c1ccccc1,493.0
CCOCCOC(C)=O,429.0
[C-]#[N+]CC(=O)OCC,468.0
C[C@H]1OCC[C@@H](C)O1,389.5
CCCCC(C)(O)CC,436.0
FCCCCl,353.0
Fc1c(F)c(F)c(Br)c(Br)c1F,471.0
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)OC(F)(F)C(F)(F)C1(F)F,375.6
COC1CC1,317.7
CCC(=O)OCCc1ccccc1,511.0
CC(=O)OC/C=C(\C)CCC=C(C)C,508.0
COc1ccccc1N,498.0
CC(C)NNC(C)C,398.0
C#CC(C)(C)O,377.0
CC1(C)CCC(C)(C)C1,391.0
FC(F)(F)c1cccc(-n2ccnc2)c1,343.0
CC1CCOS(=O)O1,458.0
CN1CCCC1=O,475.0
CCC/C=C(/C=O)CC,468.0
c1ccc2nsnc2c1,479.0
CN(C)C(=N)N(C)C,434.0
O=C1CCCC1C1CCCC1,505.5
OC/C=C\CO,508.0
Cc1c(Cl)cccc1Cl,472.5
O=Cc1ccc([N+](=O)[O-])o1,501.0
CCC1SC(C)(C)SC(C)(C)S1,325.0
C#CCCCCCl,404.0
C=CCC(C(C)=O)C(C)=O,472.0
CCC(O)CCC(F)(F)F,413.6
C=C(C)CC(C)CC,385.25
CCN(CC)C(=O)CC(C)C,484.0
CCOC(=O)C(C)C(C)=O,460.0
C1CCC2OC2C1,402.5
Cc1cc(C)c(N(C)C)c(C)c1,487.0
NCc1cccc(-n2cncn2)c1,414.0
C=CC(OCC)OCC,395.5
F/C(Cl)=C(/F)Cl,294.1
CCN(N)CC,372.0
Brc1ccccc1-n1cccc1,383.0
CN1CN(C)CN(C)C1,435.8
CCCCCC[C@H](O)CCCCC,498.0
O=C(Cl)c1cccs1,479.5
O=C(c1ccccc1)C(F)(F)F,436.0
CCCCC(CC)COC(=O)Cl,480.0
OCc1cc2ccccc2o1,367.0
COC(=O)CC(=O)CCl,485.5
CC/C(C)=C\C(C)C,382.15
Oc1cc(Cl)cc(Br)c1,529.0
Brc1ccc(Sc2ccc(Br)cc2)cc1,541.0
CCC(CC(C)C)C(C)C,427.1
O=[N+]([O-])c1ccc(OC(F)(F)F)c([N+](=O)[O-])c1,370.0
Clc1ccc2cc(Cl)ccc2c1,558.0
O=C(O)c1cc(F)c(F)cc1Cl,531.0
CCOC(F)(F)C(F)C(F)(F)F,344.0
Cc1ccc(CN)cc1,468.0
O=C(Cl)C1CCCCC1,457.0
CCC(C)OC(=O)Cl,399.0
O=C(c1ccc(Cl)cc1)C(F)(F)C(F)(F)F,459.0
COC[C@H](C)N(C(=O)CCl)c1c(C)csc1C,553.0
FC(F)=C(F)Cl,245.2
CC(C)(C)O,356.0
c1cncc(C2CCCN2)c1,543.0
CCCCCCCN,427.5
CCCCS(=O)(=O)CCCC,564.0
ClC(Cl)C(Cl)(Cl)C(Cl)Cl,491.5
Cc1nc(C)c(C)nc1C,463.0
Oc1ccc2c(c1)CCCC2,548.5
C1CC2OC2C1OC1CCC2OC12,476.0
c1ccc2c(c1)Cc1c-2ccc2ccccc12,678.0
CC1(C)[C@H]2CC[C@]1(C)C(=O)OC2=O,543.0
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)F,271.1
CCCC(C=O)CCC,433.0
CCC(=O)N(CC)CC,464.0
OCCCCC(O)CO,451.0
N#CC(C#N)=C(C#N)C#N,496.0
ClCC(Cl)Cl,385.5
O=C(Nc1ccccc1)Nc1ccccc1,535.0
CCCCCCCCOC(=O)CC,501.0
CCOC(C)(C)OCC,387.0
O=C1CCCCCC1,452.0
COC(N)=O,449.5
CC(C)Cc1nccs1,453.0
ClC(c1ccccc1)c1ccccc1,543.0
CCCCC/C=C\CCCCCC,505.45
CC(C)OCCO,416.0
O=C(O)c1cc2ccccc2o1,585.5
O=C(Cl)c1cnc(Cl)nc1C(F)(F)F,327.0
FC(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F,357.5
CC(C)(C)C1=NCCC1,383.0
CC1CCC(=O)O1,480.5
CCOP(Cl)N1CCOCC1,325.5
CO[C@@H]1C=C[C@H](OC)O1,434.0
CC(O)c1ccccc1,477.0
C=CC(=O)O,414.0
CC1(C)CC(C)(c2ccccc2)c2ccccc21,581.5
O=CNc1ccccc1,544.0
CSC(SC)SC,499.0
Nc1nccs1,390.0
CC(C)CCCC(C)O,447.0
Cc1cccc(Cl)c1C=O,347.0
N#Cc1cc(Cl)ccc1N,406.5
Cc1ccc(S(=O)(=O)c2ccc(C)cc2)cc1,679.0
Clc1cc2c(Cl)c(Cl)c(Cl)cc2c(Cl)c1Cl,643.0
CCCCCCC(=O)CCCCCC,534.0
C=C(CC(=O)OCC)C(=O)OCC,501.0
O=C=Nc1cccc(Br)c1,493.0
CCOc1ccc(OCC)cc1,519.0
O=[N+]([O-])c1ccccc1O,488.0
O=C1CCC1,372.0
N#CCCCl,448.5
CC(=O)c1ccc(C#N)s1,369.0
CCC(=O)c1ccc(OC)cc1,547.0
Oc1ccc(O)c(Cl)c1,536.0
CCCCOC(=O)C(O)C(O)C(=O)OCCCC,433.0
Cc1cccc2nccnc12,518.0
CCCCCCCCCCOC(C)=O,517.0
CC(C)CC(N)CO,482.0
C[C@H](N)Cc1ccccc1,476.0
CC1C[C@@H](C)N[C@H](C)C1,418.0
COc1ccco1,383.5
ClCc1ccccc1CCl,513.0
COc1ccc([N+](=O)[O-])cc1,533.0
Fc1c(F)c(F)c(-c2c(F)c(F)c(F)c(F)c2F)c(F)c1F,479.0
Cl/C=C(Cl)\C(Cl)=C/Cl,461.0
C=CC(C)(O)CCC=C(C)C,470.0
CC/C=C/CC,340.0
Cc1ccc(C)c(Br)c1,472.0
Fc1ccncc1,382.0
CCN(CC)c1ccc(N)cc1,541.0
C1=CCCCCC1,387.6
CC(=O)C1CCN(C(C)=O)CC1,405.0
CCCCN(CCO)CCCC,502.0
CCOC(=O)C(=O)Nc1ccccc1,553.0
CCCCCCOC(=O)c1ccccc1,545.0
CCOC(CCl)OCC,430.0
C=C(C)C1CCC(C)C(OC(C)=O)C1,506.0
C=C1CCCC1,348.5
CC(C)CC(N)=O,499.0
C1CO1,283.6
CCCC=CCOC(C)=O,438.5
CCc1cccc2ccccc12,531.6
CC(C)=C1OC(=O)C1(C)C,443.0
COC(=O)C(F)(F)F,316.2
O=C(O)c1ccc2c(c1)C(=O)OC2=O,663.0
c1ccc2c(c1)ccc1cc3c(ccc4ccccc43)cc12,797.0
CC(N)c1ccco1,421.5
CCCCc1ccccn1,465.0
C=C/C=C\C#N,409.5
CCCCOC(=O)c1ccccc1,523.0
OCC(F)(F)C(F)F,382.5
c1ccc(Cc2cccc3ccccc23)cc1,623.0
C#C/C(C)=C\C,339.5
CC1(C)OC2OC(CO)C3OC(C)(C)OC3C2O1,390.0
C#C[C@@H](C)O,379.5
CC(Cl)CO,403.0
Fc1ccccc1-c1ccccc1,521.0
CC(N)CN,392.5
C=C[C@@H]1CC[C@H]1C=C,385.5
Clc1ccc(Oc2ccccc2)cc1,557.0
CC(C)(C)OOC(C)(C)C,382.5
CC1=CCCCC1,383.5
Cc1cn(C)c2ccccc12,531.5
CC(c1ccccc1)N1CCNCC1,365.5
N#CCCCCC#N,568.0
O=C(OC(=O)C(Cl)Cl)C(Cl)Cl,488.0
O=Cc1ccccc1O,470.0
O[C@@H]1CCc2ccccc21,493.0
O=C=Nc1ccc(Cc2ccc(N=C=O)cc2)cc1,665.0
CC1C(=O)CCc2ccccc21,534.0
CCC(C)C(C)C(C)C,412.1
FC(F)(F)C1(F)C(F)(F)C(F)(F)C2(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C12F,412.0
COc1cccc(O)c1,517.0
O=C(O)/C=C/c1ccccc1,573.0
CC(=O)CCC(=O)O,518.5
CCCCCC(C)(C)O,429.0
CC1(C)OCCO1,365.5
Fc1nc(F)c(Cl)c(F)n1,388.0
C=CC(C)(CCC=C(C)C)OC(C)=O,493.0
C/C=C/C=C/C(=O)OCC,468.5
CN(N)c1ncc(C(F)(F)F)cc1Cl,345.0
C[C@@H](O)C1CCCCC1,462.0
CC(=O)c1c(Cl)ccc(F)c1Cl,525.5
C/C=C\Cl,305.8
CC(=O)C1CCC1,407.5
CC1CCC(C(C)C)CC1,443.7
CC[C@H](C)C(C)(C)C,383.0
Cc1c(N)cccc1[N+](=O)[O-],578.0
CC(C)C(O)C(C)C,412.5
CCCCCBr,403.0
CC(Cl)(Cl)C(Cl)Cl,426.0
ClC[C@H](Cl)c1ccccc1,506.5
O=c1oc(=O)c2cc3c(=O)oc(=O)c3cc12,671.5
CCCSSCCC,468.5
CC(=CCO)CCC1OC(C)(C)OC1(C)C,388.0
CCc1ccc(C)cc1C,461.4
C#COCC,323.0
O=C1OC(=O)c2cc(Cl)c(Cl)cc21,586.0
C#C/C=C/C,317.6
CC(C)=CCC[C@@H](C)CC=O,480.0
C[C@H]1C=CCC1,337.9
CC(CC=O)CCCC(C)(C)O,514.0
CC(O)C(C)C(C)O,484.5
CCOc1ccc2ccccc2c1,555.0
C[C@@H]1CCO1,332.0
FCCCCCCl,416.2
COc1cc(OC)c(N)c(OC)c1,399.0
C=C(CCl)CCl,412.0
CCCc1c(C(=O)OCC)cnn1-c1ccccc1,410.0
Cc1ccc(Nc2ccc(C)cc2)cc1,603.5
c1ccc2c(c1)ccc1c3ccccc3ccc21,721.0
Cc1ccccc1S,467.0
Cc1cc(C)n(C)n1,442.0
Brc1cccc(OCCN2CCOCC2)c1,415.0
CC(O)(C(F)(F)F)C(F)(F)F,334.0
Oc1c(Cl)cccc1Cl,492.0
C(OCC1CO1)C1CO1,533.0
O=Cc1cccs1,471.0
CC(C)C[N+](=O)[O-],413.5
O=C(O)c1cccc(Br)c1,553.0
CCC(CO)(CO)CO,433.0
O=C(Cl)C(=O)Cl,336.5
CC(C)N(CCO)C(C)C,463.0
CCOC(=O)C(C)C(=O)OCC,471.5
COCCOCCOC,435.0
CC(C)CCOC(=O)C(=O)OCCC(C)C,540.5
c1ccc2ocnc2c1,455.0
CCOc1nc(C(Cl)(Cl)Cl)ns1,461.0
Nc1c(Cl)cc(Cl)cc1Br,546.0
CC1=CC(=O)C2(C(C)C)CC12,493.0
C=C(C=O)CC,365.5
c1ccc(CNc2ccccn2)cc1,396.5
C=Cc1ccccc1Br,482.2
CC(C)(N)CN1CCCCC1,341.5
CC=CC(=O)OC,392.0
Sc1ccccc1,441.0
CC=Cc1ccc2c(c1)OCO2,526.0
CCN1C(=O)CCC1=O,509.0
C=COC(=O)CC,364.2
C1CSCS1,448.0
C=C(C)CCC=C(C)C,416.0
CCCCCCCCCCC#N,526.0
C/C=C/C(=O)OC,394.0
O=C(CC(=O)C(F)(F)F)c1ccco1,476.0
COCC#N,392.0
CC(C)c1ccc(O)c(O)c1,544.0
CC(=O)OC(C)C#N,445.5
CCC(O)c1ccccc1,492.0
CCCCCCC(C)CCC,460.0
Cc1cncnc1,426.0
Clc1ccsc1Cl,442.5
CC(C)(O)CCCC1=CCC(C=O)CC1,580.1
CSC#N,404.0
COC(=O)CC(C)=O,442.5
FC(F)=C(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,330.0
COc1ccc(N)c(C)c1,521.5
O=C(Cl)CCCCl,446.5
O=C1NC2C=CC1C2,377.0
CC(C)CN(CCO)CC(C)C,487.0
O=C(O)Cc1cccc(F)c1,424.0
C=CCCCCC=C,390.5
C/C=C/CCCCC,397.0
O=C(O)C1CCCCC1,505.5
CCC(C)=O,353.0
O=[N+]([O-])CCl,395.5
CC(=O)c1cccc([N+](=O)[O-])c1,475.0
CCCOC(=O)C(=O)OCCC,484.0
C[C@@H]1CCOC1,359.5
C/C=C/C(C)C(=O)O,472.0
FC1(F)C(F)(F)C2(F)C(F)(F)C(F)(F)C(F)(F)C3(F)C(F)(F)C(F)(F)C(F)(C1(F)F)C23F,445.0
CC(O)C(C)(C)C,393.0
CCCCCN1CCCCC1,471.2
C/C=C\CO,396.0
FC(F)(Cl)C(F)(Cl)C(F)(F)Cl,346.7
O=C=NCCCl,408.0
O=C(C(Br)Br)C(F)(F)F,385.0
O=C(Cl)C(F)(F)C(F)(F)C(F)(F)C(F)(F)Cl,368.5
C1CCCCCCCCC1,475.0
COC(F)=C(C(F)(F)F)C(F)(F)F,374.0
CCCCOC(=O)CC#N,503.9
C1=Cc2ccccc2C1,454.0
CCCCCCOC(C)=O,442.0
FC(F)(F)SSC(F)(F)F,307.6
CC(C)C(O)(c1ccc(OC(F)(F)F)cc1)c1cncnc1,537.0
O=C(c1ccccc1)c1ccc(Br)cc1,623.0
N#CC(F)C(F)(F)F,314.0
CC(C)C1CCC(C)C(O)C1,490.5
Brc1ccsc1Br,403.0
C=C(C)CCC(C)C,384.6
c1ccc2c(c1)NCCN2,562.0
CCCCCCCCON=O,447.5
ClC=CCl,333.0
CC/C=C/C(C)CC,385.15
CC[C@H]1CCCC[C@@H]1C,424.7
O=[N+]([O-])c1cccc(Cl)c1,509.0
C=CC(=C)F,285.0
CSC,311.0
CC#CCCCCC,410.6
Oc1cc(Cl)cc(Cl)c1,506.0
ClC(Cl)Br,360.0
C=CCC=C,299.0
C#CC(O)CC,397.0
CCCCSCC,417.3
CC1=CCC2C(C1)C2(C)C,441.0
CCCCCN=C=O,409.5
C=CCc1c(F)c(F)c(F)c(F)c1F,421.5
CC(C)CO,381.0
N#CCc1c[nH]c2ccccc12,431.0
C/C=C(/C)C(C)C,362.3
Sc1ccc(Br)cc1,503.5
Cc1cc(O)c(C(C)(C)C)cc1C,531.5
CCC1OC(=O)C(O)=C1C,376.0
c1ccc2ccccc2c1,491.0
c1ccc2[nH]cnc2c1,633.0
C=CCNC(=O)CCl,345.5
N#CC=CC(F)(F)F,357.5
Cc1cc(C)c(C)c(O)c1C,520.0
ClSC(Cl)(Cl)Cl,420.0
OCC#CCO,511.0
CC(C)COC(=O)c1ccccc1,514.0
N#Cc1cc(Br)c(O)c(Br)c1,591.7
CC(=O)C(c1ccccc1)c1ccccc1,580.0
OC(O)C(Cl)(Cl)Cl,370.5
CC1CCCC(C)C1C,417.0
CC(CC=O)CC(C)(C)C,446.0
C[C@@H]1C[C@H]1C,301.2
CC(Cl)C(C)(C)Cl,402.0
FC1CCCCC1,377.0
O=C(CCl)C(Cl)(Cl)Cl,456.0
C=CC(Cl)CCl,396.0
Cc1cc(S)c(C)o1,449.0
O=C1C=C(c2ccccc2)CC1,507.2
O=C(c1ccc(Cl)cc1)c1ccc(Cl)cc1,626.0
C#CC(O)CCCCC,455.0
COc1ccc(C)cc1C,464.0
NC(c1ccccc1)c1ccccc1,568.0
CCCCCCNCCCCCC,509.0
CCOc1ccccc1N1CCNCC1,392.0
CCC(C)(O)CCC(C)C,446.0
c1ccc(-c2coc(-c3ccccc3)n2)cc1,612.0
C=CC(C)(C)O,371.5
FC(F)(F)c1ccccc1Cl,425.0
CCOC(=O)C1(C(=O)OCC)CCCC1,483.0
CC(=O)OC/C=C/c1ccccc1,538.0
C=C/C=C/C#N,409.5
O=C(O)c1ccc2ccccc2c1,573.0
OCCSSCCO,433.5
CCc1cc(C)ccc1C,459.9
C#CCOC,336.0
CC(C)CCCCCCCO,493.0
Oc1c(Br)cc(Br)cc1Br,559.0
NCCOCCO,494.0
C/C=C(\CC)CCC,394.15
CC(c1ccc(Cl)cc1)c1ccc(Cl)cc1,593.0
CC(C)CCl,341.5
CCCc1cccc(O)c1,501.0
BrCC=CCBr,478.0
CCCCOCCOCC(C)O,503.0
CC1CCCCC1C,399.0
CN(C)CCN,379.2
CNc1ccc(Cl)c(Cl)c1,350.0
CCC(C)CC(C)(C)CC,428.7
O=[N+]([O-])c1cc(Br)ccc1F,513.5
CCC1CCC(=O)CC1,466.0
FC(F)(F)C(F)(Br)C(F)(F)Br,346.0
CCc1ccc2ccccc2n1,518.5
C=CCc1c(O)cccc1OC,523.5
C=CCCCCCCCCCC,486.0
CCN=C=S,404.0
OCC=Cc1ccccc1,531.0
NC(=O)c1cccc([N+](=O)[O-])c1,585.5
C[C@H]1CC[C@@H](C)C1,363.8
ClC1CCCCC1Cl,466.5
CC(=O)Oc1ccc(C)cc1,485.5
CCCCCCCCCCCCCl,533.0
O=C(OC(Cl)(Cl)Cl)C(Cl)(Cl)Cl,464.5
CC(=O)c1ccc(C)c(C)c1,516.0
CCCC(=O)OC[C@H](O)CO,553.0
CC12CCC(C(=O)OC1=O)C2(C)C,543.0
ClCBr,341.0
CCC(C)OC,338.0
CC1CC1(C)C,327.0
CCCCCCCCCC(=O)O,542.0
FC(F)OC(F)F,279.4
CCOC(=O)[C@@H](O)[C@H](O)C(=O)OCC,553.0
CN(C)CCOc1ccc(C#N)cc1,389.0
CCCCCCCCCCC(C)O,522.5
Pc1ccccc1,433.5
C1CSC1,368.0
Cc1ccnc(C)c1C,465.5
BrCC1CC1,377.5
CCC[C@H](C)c1ccccc1,472.0
c1csc(N2CCNCC2)n1,369.0
C[C@@H]1CC[C@@H](C)C1,364.7
COCC(=O)O,476.0
C=CCC#N,392.0
FC(F)(F)Oc1ccccc1N=C=S,488.0
O=C(O)c1ccccc1CCc1ccccc1,532.0
Cc1cc(Cl)nc(Cl)n1,492.0
O=C=NS(=O)(=O)c1ccc(F)cc1,336.0
CCOC(C)CO,413.5
c1ccc(N=Nc2ccccc2)cc1,566.0
c1ccc(-c2cccnc2-c2ccccc2)cc1,670.0
O=S1(=O)CCCCO1,426.0
CC(C)(C)C(N)=O,485.0
FC(F)(F)C(F)(F)C(Cl)Cl,324.1
C=CC#N,350.3
CCN(CCO)c1ccccc1,549.0
ClC(Br)C(Cl)Br,468.0
O=C(Cl)Cc1ccc2c(c1)OCO2,384.0
Cc1cc(Cl)nn1C,484.0
CC(=O)CSc1ccc(C)cc1,370.0
CCOCCN,381.0
Cn1cc[nH]c1=S,553.0
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,329.6
C=CC(C(F)(F)F)(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F,374.5
COCCN1CCNCC1,466.5
O=[N+]([O-])c1ccc(F)c([N+](=O)[O-])c1,569.0
CCN(CC)CCN1CCNCC1,358.0
CNCc1cccc(COc2ccccc2)c1,499.0
OC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)C(Cl)(Cl)Cl,643.5
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)Br,371.0
Oc1nc2ccccc2s1,633.0
CNCc1cccnc1,341.0
COC(=O)/C=C(\C)C(=O)OC,476.5
CCOc1ccccc1N,504.5
C=Cc1ccc(OC)cc1,477.5
CCOc1ccccc1CO,538.0
Cc1cccc(F)c1,388.0
CC(C)CC[C@H](CO)C(C)C,484.0
CCNc1cccc(C)c1,494.0
c1ccc(Nc2ccccn2)nc1,580.5
NCCCCCO,494.5
CC(C)CCOCc1ccccc1,510.0
CCc1ccccc1C,437.5
Cc1ccc(F)cc1Cl,428.0
CCCC1CCCCC1=O,470.0
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,355.5
C=CCC(C)C(C)C,382.0
CC(C)COc1ccccc1,470.5
O=Cc1ccc(Cl)cc1Cl,506.0
CC(O)CC#N,487.0
C=Cc1ccc(CC)cc1,465.3
C=C[C@H](O)CCl,418.5
Cc1cc(Cl)nc2ccccc12,569.0