diff --git "a/train_test/train.csv" "b/train_test/train.csv"
new file mode 100644--- /dev/null
+++ "b/train_test/train.csv"
@@ -0,0 +1,6863 @@
+SMILES,ID,Y,MW
+CN=NO,1,1,60.03
+OCCI,2,1,171.94
+C/C=C/Cl,10,1,76.01
+C=C(Cl)Cl,13,1,95.95
+FC(F)Cl,14,1,85.97
+ClC(Cl)Br,22,1,161.86
+C/C=C\Cl,25,1,76.01
+OCCBr,27,1,123.95
+OCCCl,28,1,80.0
+CCOO,29,1,62.04
+C=CCCl,30,1,76.01
+NCCN,31,1,60.07
+C=CC=C,33,1,54.05
+CN(C)N,34,1,60.07
+CC(C)Br,35,1,121.97
+CC(C)Cl,36,1,78.02
+O=CCCl,37,1,77.99
+BrCCBr,38,1,185.87
+ClCCCl,40,1,97.97
+C#CCO,42,1,56.03
+NCCCl,43,1,79.02
+C=CC=O,44,1,56.03
+O=CC=O,46,1,58.01
+ClCCBr,47,1,141.92
+C[C@@H](O)CBr,48,1,137.97
+O=C(O)CI,49,1,185.92
+FC[C@H]1CO1,50,1,76.03
+C[C@@H](O)CCl,51,1,94.02
+C=C(Cl)C=O,54,1,89.99
+NNCCO,55,1,76.06
+N#C[C@@H](Cl)Br,56,1,152.9
+OC[C@H]1CO1,57,1,74.04
+BrC[C@H]1CO1,58,1,135.95
+OCC(Cl)Cl,59,1,113.96
+C[C@@H](O)CN,60,1,75.07
+C[C@@H](Cl)CCl,61,1,111.98
+CC[C@H]1CO1,63,1,72.06
+C=C(Br)CCl,66,1,153.92
+C[C@@H](Br)CBr,67,1,199.88
+CN(C)N=O,68,1,74.05
+CCC(C)Br,70,1,135.99
+CC(C)C#N,71,1,69.06
+CCC1CO1,72,1,72.06
+ClCC1CO1,73,1,92.0
+C/C=C/C=O,74,1,70.04
+CC(O)CCl,75,1,94.02
+OCC1CO1,76,1,74.04
+O=C(Br)CBr,77,1,199.85
+ClCOCCl,80,1,113.96
+FCC1CO1,81,1,76.03
+O=CCC=O,82,1,72.02
+BrCC1CO1,86,1,135.95
+CC(O)CBr,90,1,137.97
+ClC[C@@H]1CO1,91,1,92.0
+N#CC(Cl)Br,92,1,152.9
+CC(Cl)=C=O,94,1,89.99
+OC/C=C\Cl,95,1,92.0
+OC/C=C/Cl,96,1,92.0
+C=C(Br)C=O,103,1,133.94
+OCCCCl,104,1,94.02
+C=C(C)C=O,106,1,70.04
+NC(=O)NO,108,1,76.03
+CCCCBr,109,1,135.99
+CC(=O)NN,110,1,74.05
+C/C=C\C=O,112,1,70.04
+O=[N+]([O-])CCl,113,1,94.98
+N#CC(Cl)Cl,114,1,108.95
+CC(=O)NO,115,1,75.03
+O=CC(=O)O,116,1,74.0
+C=C(Br)CBr,117,1,197.87
+COCC=O,118,1,74.04
+ClC[C@H]1CO1,119,1,92.0
+O=C(O)CBr,120,1,137.93
+OCCCBr,121,1,137.97
+CCCOO,122,1,76.05
+Cl/C=C\CCl,123,1,109.97
+C=CC(C)=O,124,1,70.04
+O=C1CCO1,125,1,72.02
+ClCCCBr,126,1,155.93
+CC(C)(C)Br,127,1,135.99
+CC(Cl)CO,128,1,94.02
+N#CC(Br)Br,129,1,196.85
+CC(=O)C=O,130,1,72.02
+OC[C@@H]1CO1,132,1,74.04
+CNC(=O)ON,133,1,90.04
+O=C(CO)CO,135,1,90.03
+OC[C@H](Cl)CCl,137,1,127.98
+C/C(Cl)=C\C=O,138,1,104.0
+OCC(Cl)(Cl)Cl,140,1,147.92
+BrCC(Br)(Br)Br,144,1,341.69
+ClC[C@H](Br)CBr,149,1,233.84
+N#CC(Cl)(Cl)Cl,151,1,142.91
+BrCC(Br)CBr,152,1,277.79
+COC[C@H]1CO1,155,1,88.05
+ClCC(Br)CCl,156,1,189.9
+O=C(O)[C@@H](Cl)Br,157,1,171.89
+[N-]=[N+]=NCCO,158,1,87.04
+CCN(C)N=O,160,1,88.06
+ClC[C@H](Cl)CBr,163,1,189.9
+COCCOC,165,1,90.07
+ClC(CBr)CBr,166,1,233.84
+OC[C@H](O)CI,167,1,201.95
+OC[C@H](Br)CBr,168,1,215.88
+OC[C@H](O)CCl,170,1,110.01
+OCC(Br)CBr,171,1,215.88
+O=C(O)CCCl,172,1,108.0
+CC(Br)C(=O)O,173,1,151.95
+OCC(Cl)CCl,174,1,127.98
+ClC/C=C\CCl,175,1,123.98
+O=C(O)/C=C\Cl,176,1,105.98
+OCCCCCl,183,1,108.03
+OCC(O)CI,184,1,201.95
+CCOCCCl,186,1,108.03
+COCC1CO1,188,1,88.05
+[N-]=[N+]=NCCO,189,1,87.04
+O=C(O)C(Cl)Br,190,1,171.89
+C[C-](C)[N+](=O)[O-],195,1,88.04
+CCCON=O,198,1,89.05
+C=C(C)C(C)Cl,200,1,104.04
+O=C(Cl)C(Cl)Cl,201,1,145.91
+CCCCOO,202,1,90.07
+O=CC=C(Cl)Cl,203,1,123.95
+O=[N+]([O-])C(Cl)Cl,204,1,128.94
+O=C(CCl)CCl,205,1,125.96
+C=C(Br)C(C)=O,206,1,147.95
+BrCCCCBr,207,1,213.9
+C/C=C(\Cl)C=O,208,1,104.0
+O=[N+]([O-])CCO,209,1,91.03
+O=C(O)C(Cl)Cl,210,1,127.94
+O=C(O)/C=C/Cl,211,1,105.98
+ClCC(Cl)CCl,213,1,145.95
+C=CC(=O)CC,215,1,84.06
+CC(C)(C)OO,216,1,90.07
+CN(C=O)N=O,218,1,88.03
+O=C/C=C/C=O,219,1,84.02
+ClC/C=C/CCl,221,1,123.98
+OC(CCl)CCl,223,1,127.98
+CN(C)[N+](=O)[O-],224,1,90.04
+CN(C)CCCl,226,1,107.05
+CN(C)C(=O)Cl,227,1,107.01
+CC(=O)C(Cl)Cl,228,1,125.96
+CC(C)[N+](=O)[O-],230,1,89.05
+CC(Br)C(N)=O,231,1,150.96
+CC(=O)C(C)=O,232,1,86.04
+O=C(O)C(Br)Br,235,1,215.84
+OCC(O)CCl,236,1,110.01
+ClCC(Br)CBr,238,1,233.84
+CCOC[C@H]1CO1,241,1,102.07
+BrCCCCCBr,242,1,227.91
+C/C=C\C=C/C=O,245,1,96.06
+O=C(O)C(Br)(Br)Br,247,1,293.75
+CC[C@@H](Cl)[N+](=O)[O-],249,1,123.01
+C=C(Cl)C(Cl)CCl,253,1,157.95
+C=CCOC(C)=O,257,1,100.05
+Fc1ccccc1,258,1,96.04
+C=CCNC(N)=O,259,1,100.06
+N[C@H](CS)C(=O)O,260,1,121.02
+O=[N+]([O-])C(Br)(Br)Br,263,1,294.75
+CCOS(C)(=O)=O,264,1,124.02
+O=C(Cl)C(Cl)(Cl)Cl,265,1,179.87
+CC(=O)CC(C)=O,266,1,100.05
+CN(C)C(=S)S,267,1,143.99
+O=C(CCl)C(Cl)Cl,269,1,159.92
+NC(CS)C(=O)O,275,1,121.02
+C/C=C/C=C/C=O,276,1,96.06
+CCOC(=O)NO,277,1,105.04
+CCC(Cl)[N+](=O)[O-],278,1,123.01
+CC(C)=C(Cl)C=O,281,1,118.02
+CN(CO)[N+](=O)[O-],282,1,106.04
+CCOCC1CO1,285,1,102.07
+CCCCN=[N+]=[N-],287,1,99.08
+NCCN.[Pt+2],288,1,324.97
+CNC(=O)ON,289,1,126.02
+C/C=C\C=C\C=O,290,1,96.06
+NCCNCCO,292,1,104.09
+CC(O)/C=C/C=O,294,1,100.05
+O=[N+]([O-])C(Cl)(Cl)Cl,295,1,162.9
+Clc1ccccn1,296,1,113.0
+C=CCCC1CO1,299,1,98.07
+COC(=O)C(Cl)Cl,300,1,141.96
+O=CC(Cl)=C(Cl)Cl,302,1,157.91
+CC(=O)C(Cl)(Cl)Cl,303,1,159.92
+COC(=O)C(C)Cl,304,1,122.01
+CC(=O)N(C)N=O,305,1,102.04
+CC(Br)C(Br)CCl,306,1,247.86
+CC(Cl)(Cl)[N+](=O)[O-],307,1,142.95
+Fc1ccccn1,309,1,97.03
+CCCCON=O,310,1,103.06
+CN(N=O)C(N)=O,314,1,103.04
+CC(C)(Cl)[N+](=O)[O-],316,1,123.01
+CCN(C=O)N=O,317,1,102.04
+CC(C)CON=O,318,1,103.06
+CCN(CC)N=O,320,1,102.08
+CCC/C=C/C=O,321,1,98.07
+CC(Cl)C(Br)CBr,322,1,247.86
+CCOC(=O)CBr,324,1,165.96
+O=CCCCC=O,325,1,100.05
+ClCCOCCCl,331,1,142.0
+C[N+](C)(C)CC1CO1,335,1,116.11
+Cc1cncc(C)n1,336,1,108.07
+C=CCOC[C@H]1CO1,338,1,114.07
+CCCC/C=C/C=O,341,1,112.09
+Nc1ccccc1S,342,1,125.03
+[N-]=[N+]=NC[C@H](O)CO,343,1,117.05
+O=C/C=C/C=C/C=O,344,1,110.04
+CNC(=O)N(C)N=O,345,1,117.05
+ClCc1ccccn1,347,1,127.02
+[N-]=[N+]=NCCC(=O)O,348,1,115.04
+ClC(Cl)(Cl)C[C@H]1CO1,349,1,173.94
+CC(C)OC[C@H]1CO1,350,1,116.08
+ClCc1cccnc1,351,1,127.02
+Nc1ccc(Cl)cc1,353,1,127.02
+CCOCCOCC,354,1,118.1
+CNC(=N)N[N+](=O)[O-],356,1,118.05
+NC(=O)N=NC(N)=O,357,1,116.03
+NNc1ccccc1,358,1,108.07
+C[C@@H](C#N)CCC#N,359,1,108.07
+C[C@@H](O)CN(C)N=O,363,1,118.07
+Nc1ccccc1O,364,1,109.05
+[N-]=[N+]=NCC(O)CO,369,1,117.05
+O=C(NCO)NCO,370,1,120.05
+CC(O)C(N)C(=O)O,373,1,119.06
+C=CCOCC1CO1,374,1,114.07
+ClC(Cl)(Cl)CC1CO1,376,1,173.94
+O=c1cn[nH]c(=O)[nH]1,378,1,113.02
+CC(C)OCC1CO1,379,1,116.08
+[N-]=[N+]=NCCC(=O)O,380,1,115.04
+CC(O)CN(C)N=O,382,1,118.07
+NC(=O)/N=N/C(N)=O,385,1,116.03
+CN(C)CCCCl,388,1,157.04
+CCOC(=O)C(C)Br,395,1,179.98
+BrCc1ccccc1,397,1,169.97
+CCCOS(C)(=O)=O,399,1,138.04
+CC(C)(N=O)[N+](=O)[O-],400,1,118.04
+CCCCCON=O,404,1,117.08
+CC(=O)CN(C)N=O,405,1,116.06
+Nc1cccc(N)n1,406,1,109.06
+Nc1cccc(N)c1,407,1,108.07
+ONc1ccccc1,408,1,109.05
+C=CC(=O)OCCBr,413,1,177.96
+ClCc1ccccc1,415,1,126.02
+Nc1ccc(F)cc1,417,1,111.05
+Clc1cccnc1Cl,419,1,146.96
+Nc1ccccc1N,420,1,108.07
+C=C(C#N)C(=O)OC,421,1,111.03
+CC(=O)c1ccco1,422,1,110.04
+CC(C)CCON=O,423,1,117.08
+Nc1ccc(N)cc1,425,1,108.07
+CCN(CCO)N=O,426,1,118.07
+CCC(=O)C(=O)CC,427,1,114.07
+C=CC(=O)OCCCl,429,1,134.01
+O=C(C(Cl)Cl)C(Cl)Cl,431,1,193.89
+O=C1CCCCC1=O,432,1,112.05
+C(CC1CO1)C1CO1,433,1,114.07
+CN(CCCl)CCCl,434,1,155.03
+O=C(O)CC[N+](=O)[O-],435,1,119.02
+CCCCN(C)N=O,436,1,116.09
+CCN(N=O)C(N)=O,437,1,117.05
+CCOC(=O)N(C)C,439,1,117.08
+[N-]=[N+]=NCC(O)CO,440,1,117.05
+CN(C[C@H](O)CO)N=O,441,1,134.07
+CC(=O)OC[C@H](O)CO,442,1,134.06
+CCOC(=O)C(N)CS,443,1,149.05
+CCCCOC[C@H]1CO1,445,1,130.1
+Cc1ccc([N+]#N)cc1,447,1,119.06
+CNc1ccc(O)cc1,448,1,123.07
+c1ccc2[nH]nnc2c1,449,1,119.05
+[N-]=[N+]=NCC(N)C(=O)O,453,1,130.05
+NC(=O)N(CCO)N=O,455,1,133.05
+C=CC(=O)OC[C@H]1CO1,459,1,128.05
+OCC(CBr)(CBr)CBr,460,1,321.82
+CCOC(=O)N(C)N=O,462,1,132.05
+C=CCCCC[C@H]1CO1,465,1,126.1
+O=C/C(Cl)=C(\Cl)C(=O)O,467,1,167.94
+C[C@H](CCl)O[C@H](C)CCl,468,1,170.03
+Nc1ccc(O)c(N)c1,470,1,124.06
+CCN(CCCO)N=O,474,1,132.09
+Cc1ccc(N)cc1Cl,475,1,141.03
+CNc1ccccc1N,476,1,122.08
+Cl/C=C(/Cl)COCCCl,480,1,187.96
+Oc1ccc(O)c(O)c1,481,1,126.03
+C[C@@H](O)COC(C)(C)C,482,1,132.12
+CC(C)(C)OC[C@H]1CO1,484,1,130.1
+Cc1ccc(O)c(C)c1,485,1,122.07
+C=Cc1ccc(N)cc1,486,1,119.07
+CN(C)CCN(C)N=O,491,1,131.11
+[N-]=[N+]=NC[C@@H](N)C(=O)O,492,1,130.05
+Cc1cccc(N)c1C,493,1,121.09
+O=C/C(Cl)=C(/Cl)C(=O)O,495,1,167.94
+Cc1cc(Cl)ccc1N,496,1,141.03
+Cc1ccc(N)cc1N,497,1,122.08
+c1ccc(C2CO2)cc1,498,1,120.06
+C=CC(=O)OCC1CO1,499,1,128.05
+CCCCOCC1CO1,500,1,130.1
+CC(C)(C)OCC1CO1,502,1,130.1
+C=CCCCCC1CO1,504,1,126.1
+c1ccc([C@@H]2CO2)cc1,505,1,120.06
+CC(=O)OCC(O)CO,506,1,134.06
+CC(O)COC(C)(C)C,507,1,132.12
+NCC(=O)CCC(=O)O,508,1,131.06
+C=COc1ccccc1,509,1,120.06
+CN(C)C(=O)N(C)N=O,510,1,131.07
+CCCCCCN=[N+]=[N-],511,1,127.11
+CN(CC(O)CO)N=O,512,1,134.07
+CN(CCCl)CCCl,515,1,191.0
+c1ccc2n[nH]nc2c1,516,1,119.05
+O=C(O)/C=C\C(=O)O.[Fe+2],517,1,171.94
+ClCc1ccccn1,520,1,163.0
+ClCc1cccnc1,521,1,163.0
+Nc1ccc(Cl)cc1,522,1,163.0
+CNN.O=C(O)C(=O)O,523,1,136.05
+Cc1ccc(N)c(C)c1,529,1,121.09
+Cc1cccc(N)c1N,530,1,122.08
+CCOS(=O)(=O)OCC,532,1,154.03
+c1ccc2c(c1)COC2,533,1,120.06
+COc1ccc(N)cc1,534,1,123.07
+Nc1ccc(Cl)cc1N,536,1,142.03
+Cc1ccccc1N=O,537,1,121.05
+CCN(CC)N(O)N=O,539,1,133.09
+COc1ccccc1N,540,1,123.07
+Cc1c(N)cccc1N,542,1,122.08
+CC(=O)OCN(C)N=O,543,1,132.05
+Cc1ccc(NO)cc1,545,1,123.07
+Cc1ccc(N)cc1O,547,1,123.07
+Cc1ccc(O)c(N)c1,549,1,123.07
+O=NN(CCO)CCO,550,1,134.07
+O=C(Cl)c1ccccc1,554,1,140.0
+c1ccc([C@H]2CO2)cc1,555,1,120.06
+Cc1ccc(N)c(O)c1,556,1,123.07
+Cc1ccc(N)c(N)c1,557,1,122.08
+C/C(C=O)=C(/Cl)C(=O)O,559,1,147.99
+Nc1ccc(Cl)c(N)c1,561,1,142.03
+Oc1cccc(O)c1O,562,1,126.03
+CCCN(N=O)C(N)=O,563,1,131.07
+Cc1cccc(C)c1C,564,1,120.09
+O=CC(=C(Cl)Cl)C(Cl)Cl,565,1,205.89
+Cc1ccccc1NO,567,1,123.07
+CC(C)COS(C)(=O)=O,568,1,152.05
+Cc1ccc(C)c(N)c1,569,1,121.09
+CCC(C)OS(C)(=O)=O,570,1,152.05
+CN(CCCCO)N=O,572,1,132.09
+ClC(Cl)c1ccccc1,573,1,159.98
+Nc1cc(Cl)ccc1O,575,1,143.01
+CC(C)(S)C(N)C(=O)O,577,1,149.05
+Cc1cccc(NO)c1,578,1,123.07
+O=Nc1ccc(O)cc1,579,1,123.03
+CNC(=O)N(O)C(C)=O,580,1,132.05
+CNC(=O)ONC(C)=O,581,1,132.05
+CCCCOS(C)(=O)=O,582,1,152.05
+CCCN(CCC)N=O,583,1,130.11
+NNc1ccccc1,584,1,144.05
+[N-]=[N+]=NCC(N)C(=O)O,585,1,130.05
+[N-]=[N+]=CC(=O)NCC(N)=O,587,1,142.05
+[N-]=[N+]=NCCC(N)C(=O)O,588,1,144.06
+CNC(=O)NOC(=O)NC,589,1,147.06
+COC(=O)C(C)CN=[N+]=[N-],590,1,143.07
+OC[C@@H]1CO[C@@H](CCI)O1,594,1,257.98
+N/C(=N\O)c1ccccc1,595,1,136.06
+Cc1cc(C)c(N)c(C)c1,598,1,135.1
+C=C(C)C(=O)OC[C@H]1CO1,599,1,142.06
+O=[N+]([O-])c1ccc(Cl)cc1,600,1,156.99
+Nc1cc(Cl)c(N)c(Cl)c1,601,1,175.99
+O=NN(O)c1ccccc1,602,1,138.04
+COc1ccc(N)c(C)c1,604,1,137.08
+[N-]=[N+]=NCc1ccccc1,605,1,133.06
+CN(N=O)C(=N)N[N+](=O)[O-],606,1,147.04
+C=CC(=O)OC[C@H](Br)CBr,607,1,269.89
+CCOC(=O)N(CC)N=O,610,1,146.07
+CCNc1cccc(O)c1,611,1,137.08
+Nc1[nH]cnc2ncnc1-2,612,1,135.05
+[N-]=[N+]=NCC(O)CN=[N+]=[N-],613,1,142.06
+Cc1ccc([C@@H]2CO2)cc1,614,1,134.07
+C(CC[C@H]1CO1)C[C@H]1CO1,615,1,142.1
+CC(=O)N[C@@H](CS)C(=O)O,616,1,163.03
+O=C/C(CCl)=C(\Cl)C(=O)O,617,1,181.95
+CN(N=O)c1ccccn1,618,1,137.06
+Sc1[nH]cnc2ncnc1-2,619,1,152.02
+CCc1cccc(C)c1N,620,1,135.1
+C=CN=Nc1ccccc1,621,1,132.07
+C[C@H](I)[C@@H]1OC[C@@H](CO)O1,623,1,257.98
+O=C/C=C\c1ccccc1,624,1,132.06
+[N-]=[N+]=NCCC(N)C(=O)O,625,1,144.06
+Cc1ccc(N(C)C)cc1,628,1,135.1
+C=C(C)C(=O)OCC1CO1,630,1,142.06
+C(CCC1CO1)CC1CO1,631,1,142.1
+COc1cc(N)ccc1N,633,1,138.08
+Cc1cc(N)c(C)cc1N,634,1,136.1
+C=CC(=O)OCC(Br)CBr,635,1,269.89
+CN(C)N.O=C(O)C(=O)O,636,1,150.06
+[N-]=[N+]=NCC(O)CN=[N+]=[N-],637,1,142.06
+CN(CCCC(=O)O)N=O,638,1,146.07
+CC(I)C1OCC(CO)O1,641,1,257.98
+CN(N=O)/C(N)=N/[N+](=O)[O-],643,1,147.04
+Nc1ncnc2nc[nH]c12,644,1,135.05
+Nc1cccc(N)c1,645,1,180.02
+CCNc1ccc(O)cc1,646,1,137.08
+Nc1ccc(N)cc1,647,1,180.02
+[N-]=[N+]=CC(=O)NCC(N)=O,648,1,142.05
+Nc1snc2ccccc12,649,1,150.03
+CCOC(=O)C(N)CS,650,1,184.02
+CNC(=O)N(C)C(=O)ON,651,1,147.06
+CCNN.O=C(O)C(=O)O,652,1,150.06
+N#[N+]c1ccc(CO)cc1,654,1,135.06
+O=C/C(CCl)=C(/Cl)C(=O)O,657,1,181.95
+O=C(O)/C=C(\CCl)C(Cl)Cl,658,1,201.94
+CCN(N=O)/C(C=O)=N/O,659,1,145.05
+O=[N+]([O-])c1cccc(O)c1,660,1,139.03
+ClC(Cl)(Cl)c1ccccc1,661,1,193.95
+O=CC(=O)c1ccccc1,662,1,134.04
+Cc1cccc(C(=O)Cl)c1,663,1,154.02
+Nc1cccc2cnsc12,664,1,150.03
+CCN(N)c1ccccc1,665,1,136.1
+CN(N=O)c1ccccc1,666,1,136.06
+CCOC(C)C(=O)C(O)O,667,1,148.07
+Nc1ccc([N+](=O)[O-])cc1,668,1,138.04
+O=C(NO)c1ccccc1,669,1,137.05
+CCCCN(CCC)N=O,670,1,144.13
+Nc1cccc([N+](=O)[O-])c1,671,1,138.04
+Cc1ccc(C(=O)Cl)cc1,672,1,154.02
+CC1(c2ccccc2)CO1,673,1,134.07
+COc1cc(N)ccc1C,674,1,137.08
+Cc1cc(C)c(N)cc1C,676,1,135.1
+O=[N+]([O-])c1ccc(S)cc1,678,1,155.0
+O=Cc1ccc([N+](=O)[O-])o1,680,1,141.01
+CC(C)CCOS(C)(=O)=O,681,1,166.07
+CCOc1ccc(N)cc1,682,1,137.08
+Cc1cccc(NO)c1C,683,1,137.08
+Cc1ccccc1C(=O)Cl,684,1,154.02
+O=[N+]([O-])c1ccccc1Cl,686,1,156.99
+CC(C)CN(N)CC(C)C,687,1,144.16
+COc1ccc(N=O)cc1,689,1,137.05
+NNC(=O)c1ccncc1,690,1,137.06
+O=C(Cl)c1cccc(Cl)c1,691,1,173.96
+Cc1ccc(NO)cc1C,692,1,137.08
+CSCNc1ccccc1,694,1,153.06
+NC(CS/C=C/Cl)C(=O)O,695,1,181.0
+O=[N+]([O-])c1ccc(Br)cc1,696,1,200.94
+CCN(N=O)C(=O)N(C)C,697,1,145.09
+c1ccc(OC2CO2)cc1,698,1,136.05
+Cc1ccc(C)c(NO)c1,699,1,137.08
+CC(=O)OCN(C)[N+](=O)[O-],700,1,148.05
+COc1ccc(C)cc1N,701,1,137.08
+Cc1ccc(NO)c(C)c1,702,1,137.08
+CCCCN(N=O)C(N)=O,703,1,145.09
+CC(=O)OCc1ccco1,704,1,140.05
+Nc1ccc2sncc2c1,705,1,150.03
+CN(C)c1cccc(O)c1,708,1,137.08
+O=[N+]([O-])c1ccccc1Br,709,1,200.94
+O=NN(CCO)CC(=O)O,710,1,148.05
+O=C(Cl)Cc1ccccc1,712,1,154.02
+Nc1ccc2ncsc2c1,714,1,150.03
+O=C(Cl)c1ccccc1F,715,1,157.99
+N#C[Se]Cc1ccccc1,716,1,196.97
+NC(CSCCCl)C(=O)O,717,1,183.01
+Cc1cc(C)cc(NO)c1,718,1,137.08
+Cc1cccc(C)c1NO,719,1,137.08
+CN(C)c1ccc(N)cc1,720,1,136.1
+CCCCN(CCO)N=O,721,1,146.11
+c1ccc(CC2CO2)cc1,722,1,134.07
+c1ccc2ncccc2c1,723,1,129.06
+O=C(Cl)c1ccccc1Cl,724,1,173.96
+NCCCCC(N)C(=O)O,725,1,146.11
+O=Nc1ccc(NO)cc1,727,1,138.04
+O=[N+]([O-])c1cccc(Br)c1,729,1,200.94
+CCN(CCCCO)N=O,731,1,146.11
+BrCC(Br)c1ccccc1,732,1,261.9
+CCN(CC)N(O)N=O,734,1,156.07
+COC(=O)C(C)CN=[N+]=[N-],736,1,143.07
+[N-]=[N+]=CC(=O)NCC(=O)NN,737,1,157.06
+C=CC(=O)NCNC(=O)C=C,738,1,154.07
+O=C(NO)c1ccccc1O,739,1,153.04
+CC(=O)c1ccc([N+](=O)[O-])[nH]1,740,1,154.04
+Cc1c(N)cccc1[N+](=O)[O-],741,1,152.06
+C1=C[C@@H]2O[C@@H]2c2ncccc21,742,1,145.05
+CCOC(=O)N(CCO)N=O,743,1,162.06
+Nc1nc2cc(O)ccc2[nH]1,744,1,149.06
+NCCc1ccc(O)c(O)c1,746,1,153.08
+CC(=O)c1ccc([N+](=O)[O-])s1,747,1,171.0
+Clc1cccc2cccnc12,748,1,163.02
+O=C(O)/C(Cl)=C(/CCl)C(Cl)Cl,749,1,235.9
+CCCCCCOC[C@H]1CO1,750,1,158.13
+N#[N+]c1ccc([N+](=O)[O-])cc1,751,1,150.03
+CC(=O)CN(C[C@@H](C)O)N=O,752,1,160.08
+Cc1ccc(C(=O)O)cc1N,753,1,151.06
+O=NN(CC(=O)O)CC(=O)O,754,1,162.03
+NCC(=O)Nc1ccccc1,756,1,150.08
+CC(=O)/C=C\c1ccccc1,757,1,146.07
+Nc1ccccc1S(=O)(=O)O,758,1,173.01
+CCCCN(CCCO)N=O,759,1,160.12
+Cc1cccc([N+](=O)[O-])c1N,760,1,152.06
+O=[N+]([O-])c1cc(F)ccc1F,761,1,159.01
+Cc1ccc([N+](=O)[O-])c(C)c1,762,1,151.06
+Cc1cccc2ncccc12,763,1,143.07
+c1ccc(OC[C@H]2CO2)cc1,764,1,150.07
+ONc1[nH]cnc2ncnc1-2,766,1,151.05
+CN(C)N=Nc1ccccc1,767,1,149.1
+CNc1ccc([N+](=O)[O-])cc1,768,1,152.06
+Cc1cc([N+](=O)[O-])ccc1N,769,1,152.06
+Cc1cccc2cccnc12,770,1,143.07
+COc1ccc(N)c(OC)c1,772,1,153.08
+Nc1c2[nH]cnc2nc[n+]1[O-],773,1,151.05
+Cc1ccc2[nH]c(N)nc2c1,774,1,147.08
+Cc1nc2cc(Cl)ccc2[nH]1,775,1,166.03
+NNc1ccccc1[N+](=O)[O-],776,1,153.05
+Cc1ccc(N)cc1[N+](=O)[O-],777,1,152.06
+Cc1ccc([N+](=O)[O-])cc1N,781,1,152.06
+C[C@@H](O)CN(C[C@@H](C)O)N=O,782,1,162.1
+O=C/C(Br)=C/c1ccccc1,783,1,209.97
+CCOc1ccc(N)cc1N,784,1,152.09
+O=NN(CCO)CCCCO,785,1,162.1
+Cc1ccc([N+](=O)[O-])cc1C,786,1,151.06
+CC(C)(C)OC(=O)CN=[N+]=[N-],787,1,157.09
+CCNC(=N)N(N=O)[N+](=O)[O-],788,1,161.05
+Nc1ccc([N+](=O)[O-])c(O)c1,789,1,154.04
+Nc1ccc(O)c([N+](=O)[O-])c1,790,1,154.04
+N[C@@H](CS/C(Cl)=C/Cl)C(=O)O,791,1,214.96
+C=C(C)C(=O)OC[C@H](Br)CBr,793,1,283.9
+OCC(CO)(CCBr)CCBr,794,1,287.94
+CCN(N=O)C(=N)N[N+](=O)[O-],796,1,161.05
+O=C(O)CCCCCCCBr,797,1,222.03
+c1ccc(OCC2CO2)cc1,798,1,150.07
+S=C=NCCc1ccccc1,799,1,163.05
+COS(=O)(=O)c1ccccc1,802,1,172.02
+CC(=O)Nc1cccc(N)c1,804,1,150.08
+Nc1cccc2ncccc12,805,1,144.07
+C=C(C)C(=O)OCC(Br)CBr,807,1,283.9
+Cc1ccc2nc(N)[nH]c2c1,808,1,147.08
+CC(C)(C)OC(=O)CN=[N+]=[N-],809,1,157.09
+Nc1nc2ccc(O)cc2[nH]1,810,1,149.06
+CC(O)CN(CC(C)O)N=O,811,1,162.1
+O=CN(O)c1ccc(Cl)cc1,812,1,171.01
+SCCCCl.SCCCCl.[Pt+2],814,1,414.96
+O=CN(O)c1ccc(Br)cc1,815,1,214.96
+O=CN(O)c1ccc(F)cc1,816,1,155.04
+O=C/C(=C(\Cl)C(=O)O)C(Cl)Cl,817,1,215.91
+[O-][n+]1cc2cnccc2cn1,818,1,147.04
+[O-][n+]1ccc2cnncc2c1,819,1,147.04
+ClCC(Cl)COCC(Cl)CCl,821,1,237.95
+CC(=O)/C=C/c1ccccc1,822,1,146.07
+Cc1cc(C)c(N)c(C)c1,823,1,170.07
+Nc1ccc(O)c(N)c1,824,1,196.02
+NC(CS/C(Cl)=C/Cl)C(=O)O,825,1,214.96
+[N-]=[N+]=CC(=O)NCC(=O)NN,827,1,157.06
+CCN(N=O)/C(N)=N\[N+](=O)[O-],828,1,161.05
+O=C/C(Br)=C\c1ccccc1,829,1,209.97
+ONc1ncnc2nc[nH]c12,830,1,151.05
+CCCNN.O=C(O)C(=O)O,832,1,164.08
+CN(C)/N=N/c1ccccc1,833,1,149.1
+Cc1c(N)cccc1N,834,1,194.04
+CC(=O)CN(CC(C)O)N=O,836,1,160.08
+CC/N=C(\N)N(N=O)[N+](=O)[O-],837,1,161.05
+Cc1ccc(N(O)C=O)cc1,838,1,151.06
+C1=CC2OC2c2ncccc21,840,1,145.05
+O=C(O)/C(Cl)=C(\CCl)C(Cl)Cl,842,1,235.9
+Nc1ccc([N+](=O)[O-])c(N)c1,843,1,153.05
+CN(C)c1ccc(N=O)cc1,845,1,150.08
+Nc1cccc2cccnc12,846,1,144.07
+Clc1ccnc2ccccc12,847,1,163.02
+N#Cc1cccc([N+](=O)[O-])c1,848,1,148.03
+Clc1ccc(C(Cl)(Cl)Cl)cc1,849,1,227.91
+O=C/C(=C(/Cl)C(=O)O)C(Cl)Cl,851,1,215.91
+Nc1cnc2ccccc2c1,852,1,144.07
+Nc1cccc(N)c1C(=O)O,853,1,152.06
+Clc1ccc2ncccc2c1,854,1,163.02
+O=[N+]([O-])c1ccc(NO)cc1,855,1,154.04
+CC(=O)Nc1ccc(N)cc1,856,1,150.08
+Nc1ccc2snc(Cl)c2c1,857,1,183.99
+CCCN(CCCCO)N=O,858,1,160.12
+O=[N+]([O-])c1ccccc1CCl,859,1,171.01
+Cc1ccc2ccccc2n1,860,1,143.07
+Fc1cccc2cccnc12,861,1,147.05
+Nc1ccc2ccccc2c1,862,1,143.07
+[N-]=[N+]=NCCc1ccccc1,863,1,147.08
+NC(=O)N(CCC(=O)O)N=O,864,1,161.04
+Cc1cc(C)c(N)c(C)c1N,865,1,150.12
+CC(=O)c1ccc(NO)cc1,866,1,151.06
+Nc1ccc([N+](=O)[O-])cc1N,867,1,153.05
+O=C(Cl)c1c(Cl)cccc1Cl,868,1,207.92
+O=[N+]([O-])c1cc(Cl)ccc1Cl,869,1,190.95
+Fc1ccc2ncccc2c1,870,1,147.05
+C=Cc1ccc([N+](=O)[O-])cc1,871,1,149.05
+COc1ccc([N+](=O)[O-])cc1,873,1,153.04
+COc1ccccc1[N+](=O)[O-],874,1,153.04
+CC(=O)NNc1ccccc1,876,1,150.08
+Clc1cccc2ncccc12,877,1,163.02
+Cc1ccc2nsc(N)c2c1,878,1,164.04
+Nc1snc2ccc(Cl)cc12,879,1,183.99
+Cc1ccc2ncccc2c1,880,1,143.07
+Clc1cccc(C(Cl)(Cl)Cl)n1,883,1,228.9
+Cc1ccc(NCCCl)cc1,884,1,169.07
+Oc1cccc2ncccc12,885,1,145.05
+Nc1ccc([N+](=O)[O-])cc1O,886,1,154.04
+Cc1ccc(C)c([N+](=O)[O-])c1,887,1,151.06
+O=Cc1ccc([N+](=O)[O-])cc1,888,1,151.03
+C=C(C)C(=O)OCCN(C)C,891,1,157.11
+O=C(O)C=C(C(Cl)Cl)C(Cl)Cl,892,1,235.9
+Fc1ccc2cccnc2c1,893,1,147.05
+O=C/C=C/c1ccccc1Cl,894,1,166.02
+O=[N+]([O-])c1ccc(CBr)cc1,895,1,214.96
+CCN(CCCC(=O)O)N=O,896,1,160.08
+Oc1cccc2cccnc12,897,1,145.05
+O=[N+]([O-])c1ccc(Cl)c(Cl)c1,898,1,190.95
+Nc1ccc(N)c([N+](=O)[O-])c1,899,1,153.05
+Cn1cnc2c(N)ncnc21,900,1,149.07
+CCOc1ccc(NO)cc1,901,1,153.08
+O=C(O)c1ccc([N+](=O)[O-])o1,902,1,157.0
+Nc1cccc2ccccc12,903,1,143.07
+CN(Cc1ccccc1)N=O,904,1,150.08
+O=C(Cl)C(Cl)c1ccccc1,905,1,187.98
+Nc1ccc(CC(=O)O)cc1,906,1,151.06
+O=c1ccc2ccccc2o1,908,1,146.04
+CCNc1cc(O)ccc1C,909,1,151.1
+NC(=O)c1csc([N+](=O)[O-])c1,910,1,171.99
+Nc1cc(Cl)ccc1[N+](=O)[O-],911,1,172.0
+O=C(Cl)CCc1ccccc1,912,1,168.03
+CCc1cccc(CC)c1N,913,1,149.12
+Nc1snc2cc(Cl)ccc12,914,1,183.99
+Nc1ccc([N+](=O)[O-])cc1Cl,915,1,172.0
+CN(CCO[N+](=O)[O-])[N+](=O)[O-],916,1,165.04
+Cc1ccc2cccnc2c1,918,1,143.07
+Cc1cnc2ccccc2c1,919,1,143.07
+C=CCc1ccc(O)c(O)c1,920,1,150.07
+CC(=O)CN(CC(C)=O)N=O,921,1,158.07
+Nc1ccc2cccnc2c1,922,1,144.07
+O=C(O)/C(Cl)=C(\CO)C(Cl)Cl,923,1,217.93
+Nc1cc([N+](=O)[O-])ccc1O,924,1,154.04
+O=Cc1cccc([N+](=O)[O-])c1,925,1,151.03
+c1ccc(CCC2CO2)cc1,926,1,148.09
+CCOc1ccc(N=O)cc1,927,1,151.06
+CCCCN(CCCC)N=O,928,1,158.14
+Clc1ccc(CC2CO2)cc1,929,1,168.03
+CCCCN(CC(C)=O)N=O,930,1,158.11
+Cc1ccnc2ccccc12,931,1,143.07
+CC1(c2ccc(Cl)cc2)CO1,932,1,168.03
+O=[N+]([O-])c1cccc(CCl)c1,933,1,171.01
+Cc1ccc(CC2CO2)cc1,935,1,148.09
+NNc1ccc([N+](=O)[O-])cc1,936,1,153.05
+CC(=O)c1ccc(N=O)cc1,937,1,149.05
+CC(C)(OO)c1ccccc1,938,1,152.08
+C[Si](C)(C)CN(N=O)C(N)=O,939,1,175.08
+O=C(Cl)c1ccc(Cl)cc1Cl,940,1,207.92
+Nc1cccc([N+](=O)[O-])c1N,941,1,153.05
+ClCCSCc1ccccc1,942,1,186.03
+COC(=O)C(N)CSCCCl,943,1,197.03
+Clc1nncc2cccnc12,944,1,165.01
+Nc1ccc(Cl)cc1[N+](=O)[O-],945,1,172.0
+Fc1cccc2ncccc12,946,1,147.05
+NC(=S)c1c(Cl)cccc1Cl,947,1,204.95
+O=[N+]([O-])c1ccc(CCl)cc1,948,1,171.01
+Nc1ccc2ccccc2n1,949,1,144.07
+CC(=O)OCN(CCCl)N=O,950,1,180.03
+Cn1c(N)nc2ccccc21,951,1,147.08
+Nc1cccc2c(Cl)nsc12,952,1,183.99
+NC(CS)C(=O)NCC(=O)O,953,1,178.04
+Fc1ccnc2ccccc12,954,1,147.05
+O=[N+]([O-])c1ccc(Cl)cc1Cl,955,1,190.95
+CCCCN(COC(C)=O)N=O,957,1,174.1
+CN(C)N=Nc1ccc(Br)cc1,958,1,227.01
+Cc1ccc(OC[C@H]2CO2)cc1,960,1,164.08
+COc1ccccc1NCSC,961,1,183.07
+CC1(c2ccc(C#N)cc2)CO1,962,1,159.07
+Clc1ccc(CC[C@H]2CO2)cc1,965,1,182.05
+Nc1cccc2c(N)cccc12,966,1,158.08
+O=[N+]([O-])c1ccc2[nH]cnc2c1,968,1,163.04
+COc1ccc([N+](=O)[O-])cc1N,970,1,168.05
+C=C(Cl)CSC(=S)N(CC)CC,971,1,223.03
+O=[N+]([O-])c1cccc2c[nH]nc12,972,1,163.04
+COP(=O)(OC)[C@H](O)C(Cl)(Cl)Cl,973,1,255.92
+Nc1cc(Cl)cc(C(=O)O)c1Cl,974,1,204.97
+Nc1cccc2cccc(N)c12,975,1,158.08
+O[C@H]([C@H](O)[C@@H](O)CBr)[C@H](O)CBr,976,1,305.91
+CCCN(N=O)C(=N)N[N+](=O)[O-],977,1,175.07
+NC(=O)c1cccc([N+](=O)[O-])c1,978,1,166.04
+CCCCN(CCC(=O)O)N=O,979,1,174.1
+O=[N+]([O-])c1ccc2c[nH]nc2c1,980,1,163.04
+COc1ccc(C2OC2C)cc1,981,1,164.08
+Cc1ccccc1OC[C@H]1CO1,982,1,164.08
+COc1cccc2sc(N)nc12,983,1,180.04
+CCCCN(C[C@H](O)CC)N=O,984,1,174.14
+CCCCN(CC[C@@H](C)O)N=O,985,1,174.14
+CC(=O)c1cccc([N+](=O)[O-])c1,986,1,165.04
+Cl/C=C(/Cl)SCc1ccccc1,987,1,217.97
+[N-]=[N+]=Nc1nc2ccccc2[nH]1,988,1,159.05
+[N-]=[N+]=NCC(O)c1ccccc1,989,1,163.07
+CN(N=O)C(=O)c1ccccc1,990,1,164.06
+CS/C(C)=N\OC(=O)N(C)N=O,991,1,191.04
+O=[N+]([O-])/C(Br)=C/c1ccccc1,992,1,226.96
+c1ccc(COCC2CO2)cc1,994,1,164.08
+O=[N+]([O-])c1cc(Cl)c(Cl)cc1Cl,995,1,224.92
+Nc1nc(-c2ccccc2)cs1,996,1,176.04
+CCCOc1ccc(N)cc1N,997,1,166.11
+NC(CCS/C(Cl)=C/Cl)C(=O)O,998,1,228.97
+O=[N+]([O-])c1ccc(Cl)c(Cl)c1Cl,1000,1,224.92
+NC(=O)c1ccccc1[N+](=O)[O-],1001,1,166.04
+NC(=O)c1ccc([N+](=O)[O-])cc1,1002,1,166.04
+N#Cc1ccc2[nH]c(N)nc2c1,1004,1,158.06
+Cc1ccc([N+](=O)[O-])cc1N=O,1005,1,166.04
+Cc1ccc(CC[C@H]2CO2)cc1,1007,1,162.1
+O=C(O)/C(Cl)=C(\C(=O)O)C(Cl)Cl,1010,1,231.91
+Nc1cc([N+](=O)[O-])cc(Cl)c1O,1011,1,188.0
+CC(CN=[N+]=[N-])c1ccccc1,1012,1,161.1
+NCCc1cc(O)c(O)cc1O,1013,1,169.07
+C[C@@H](O)CN(C[C@H](O)CO)N=O,1014,1,178.1
+N/C(=N\O)c1ccc(O)c(O)c1,1015,1,168.05
+Oc1cc(O)c2ccccc2n1,1016,1,161.05
+CCCCN(CC(=O)CC)N=O,1017,1,172.12
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+Cc1cc2nc(N)sc2cc1C,1019,1,178.06
+Nc1ccc(N)c2ccccc12,1020,1,158.08
+Cc1cc(C)c2nsnc2c1N,1021,1,179.05
+CN(C)c1[nH]cnc2ncnc1-2,1022,1,163.09
+COCCOCCOCCOC,1023,1,178.12
+Cc1ccc(N=NN(C)C)cc1,1024,1,163.11
+COc1ccccc1/C=C\C=O,1025,1,162.07
+O=[N+]([O-])c1ccccc1[N+](=O)[O-],1027,1,168.02
+CCCCCCN(N=O)C(N)=O,1028,1,173.12
+CN(C)N=Nc1ccc(Cl)cc1,1030,1,183.06
+O=[N+]([O-])c1cc(Cl)c(Cl)c(Cl)c1,1031,1,224.92
+COS(=O)(=O)c1ccc(C)cc1,1032,1,186.04
+c1ccc(-c2ccccn2)nc1,1033,1,156.07
+c1cc(-c2ccncc2)ccn1,1034,1,156.07
+Cc1ccccc1OCC1CO1,1036,1,164.08
+c1cncc(-c2cccnc2)c1,1037,1,156.07
+CN(C)c1ncnc2nc[nH]c12,1038,1,163.09
+[N-]=[N+]=Nc1nc2ccccc2[nH]1,1039,1,159.05
+Cc1ccc(OCC2CO2)cc1,1040,1,164.08
+O=C(CCl)NCc1ccccc1,1041,1,183.05
+O=[N+]([O-])c1cccc2cn[nH]c12,1042,1,163.04
+O=C(CBr)NCc1ccccc1,1043,1,226.99
+CCCCN(CCCCO)N=O,1044,1,174.14
+Nc1cc(Cl)c([N+](=O)[O-])cc1O,1045,1,188.0
+CCCCN(N=O)C(=O)OCC,1046,1,174.1
+O=Nc1ccc2ccccc2c1,1047,1,157.05
+COc1ccc([C@H]2O[C@@H]2C)cc1,1049,1,164.08
+N#Cc1ccc2nc(N)[nH]c2c1,1050,1,158.06
+O=[N+]([O-])c1ccc2cn[nH]c2c1,1052,1,163.04
+c1ccc(COC[C@H]2CO2)cc1,1053,1,164.08
+O=[N+]([O-])c1ccc2nc[nH]c2c1,1054,1,163.04
+CC(=O)Nc1ccccc1N,1056,1,185.05
+OCC(Br)CBr,1057,1,337.84
+CCCCNN.O=C(O)C(=O)O,1058,1,178.1
+Cc1ccc(/N=N/N(C)C)cc1,1059,1,163.11
+CN(C)/N=N/c1ccc(Cl)cc1,1060,1,183.06
+CN(C)/N=N/c1ccc(Br)cc1,1061,1,227.01
+Cn1cnc2c(=N)n(O)cnc21,1062,1,165.07
+CCCN(N=O)/C(N)=N/[N+](=O)[O-],1063,1,175.07
+CC(C)OC(=O)/C(Cl)=C(/Cl)C=O,1064,1,209.99
+Nc1ccc([N+](=O)[O-])cc1N,1065,1,189.03
+NNc1ccccc1[N+](=O)[O-],1066,1,189.03
+Cl/C=C(\Cl)SCc1ccccc1,1067,1,217.97
+CN(Cc1cccc(Cl)c1)N=O,1069,1,184.04
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+Nc1snc2c(Cl)cc(Cl)cc12,1075,1,217.95
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+O=C1C(Cl)=C(Cl)C(=O)C(Cl)=C1Cl,1078,1,243.87
+N#Cc1cc([N+](=O)[O-])ccc1N,1079,1,163.04
+Cc1cccc(CN(C)N=O)c1,1080,1,164.09
+COc1cc([N+](=O)[O-])ccc1N,1081,1,168.05
+CN(C)c1ccc(CCO)cc1,1082,1,165.12
+Oc1ccc2c(O)cccc2c1,1083,1,160.05
+CCOC(=O)N(CCC=O)N=O,1084,1,174.06
+CC(Br)C(=O)Nc1ccccc1,1085,1,226.99
+O=C(OCCBr)C(=O)OCCBr,1086,1,301.88
+CCOC(=O)CNC(=O)C(C)Br,1087,1,237.0
+CCCCCN(CCCC)N=O,1088,1,172.16
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+O=[N+]([O-])c1cccc2cnsc12,1091,1,180.0
+COc1nsc2c(N)cccc12,1092,1,180.04
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+ONc1ccc2ccccc2c1,1097,1,159.07
+CN(Cc1ccc(Cl)cc1)N=O,1098,1,184.04
+O=C1C=Cc2ccccc2C1=O,1099,1,158.04
+N#Cc1cccc2cccnc12,1100,1,154.05
+CN(C)c1ccc(N(C)C)cc1,1101,1,164.13
+CN(Cc1ccc(Br)cc1)N=O,1102,1,227.99
+O=[N+]([O-])c1ccc([N+](=O)[O-])cc1,1103,1,168.02
+Nc1cc([N+](=O)[O-])c(N)cc1Cl,1105,1,187.01
+C[n+]1cccc2c1C=C[C@H]1O[C@@H]21,1106,1,160.08
+O=[N+]([O-])c1nc2ccccc2[nH]1,1107,1,163.04
+Fc1cc(F)c2cccnc2c1,1108,1,165.04
+O=[N+]([O-])c1cccc2nscc12,1109,1,180.0
+COC(=O)c1ccc([N+](=O)[O-])o1,1110,1,171.02
+CN(Cc1ccc(F)cc1)N=O,1111,1,168.07
+COc1ccccc1CC1CO1,1112,1,164.08
+Fc1ccc2cccnc2c1F,1113,1,165.04
+O=[N+]([O-])c1ccc2c(c1)CCN2,1114,1,164.06
+COc1ccc2nc(N)sc2c1,1115,1,180.04
+O=C(Nc1ccccc1)C1CO1,1116,1,163.06
+O=[N+]([O-])c1ccc2c(c1)CC=C2,1117,1,161.05
+ONc1cccc2ccccc12,1120,1,159.07
+Cc1cc(N)cc([N+](=O)[O-])c1N,1121,1,167.07
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+CCCN(CCCC(=O)O)N=O,1123,1,174.1
+O=C(O)c1cccc([N+](=O)[O-])c1,1124,1,167.02
+Cn1cnc2c(NO)ncnc21,1125,1,165.07
+O=[N+]([O-])c1ccc(CCO)cc1,1126,1,167.06
+NC(CSC(Cl)=C(Cl)Cl)C(=O)O,1127,1,248.92
+O=C(O)C(Cl)=C(C(Cl)Cl)C(Cl)Cl,1128,1,269.86
+Nc1cc([N+](=O)[O-])c(N)cc1F,1130,1,171.04
+O=[N+]([O-])c1ccc2nscc2c1,1131,1,180.0
+Fc1cc(F)c2ncccc2c1,1132,1,165.04
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+O=C(O)c1ccc([N+](=O)[O-])cc1,1174,1,167.02
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+O=C1C=CC(=O)c2ccccc21,1180,1,158.04
+CN(C)C(=S)SSC(=S)N(C)C,1181,1,239.99
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+O=[N+]([O-])c1ccc2[nH]ncc2c1,1183,1,163.04
+N#CCc1ccccc1[N+](=O)[O-],1184,1,162.04
+CC(=O)OCN(CCCCl)N=O,1185,1,194.05
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+NNc1nncc2cccnc12,1187,1,161.07
+CCN(CC)c1cccc(O)c1,1188,1,165.12
+Clc1ccc(C(Cl)(Cl)Cl)cc1Cl,1189,1,261.87
+O=Cc1cccc2cccnc12,1190,1,157.05
+Cc1cc(N)c([N+](=O)[O-])cc1N,1191,1,167.07
+O=[N+]([O-])c1cccc2csnc12,1193,1,180.0
+CCCCN(CCC(C)=O)N=O,1194,1,172.12
+CCOS(=O)(=O)c1ccccc1,1195,1,186.04
+NNc1nncc2cnccc12,1196,1,161.07
+O=[N+]([O-])c1cccc([N+](=O)[O-])c1,1197,1,168.02
+CC(=O)c1ccc(Cl)c(Cl)c1Cl,1198,1,221.94
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+O=C(O)Cc1ccc(O)c(O)c1,1200,1,168.04
+CCOC(=O)CNC(=O)C=[N+]=[N-],1201,1,171.06
+Nc1nc(NO)c2[nH]cnc2n1,1202,1,166.06
+OC(CBr)C(O)C(O)C(O)CBr,1204,1,305.91
+CC(CN=[N+]=[N-])c1ccccc1,1205,1,161.1
+[N-]=[N+]=NCC(O)c1ccccc1,1206,1,163.07
+CCCCN(N=O)C(=N)N[N+](=O)[O-],1207,1,189.09
+CCNS(=O)(=O)c1ccccc1C,1208,1,199.07
+CCN(CC)c1ccc([N+]#N)cc1,1209,1,176.12
+CCOc1ccc2nc(N)sc2c1,1210,1,194.05
+CC(C)(C)OC(=O)[C@H](N)CN=[N+]=[N-],1211,1,186.11
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+C/C=C/c1cccc(OC)c1OC,1214,1,178.1
+CC/C=C1\OC(=O)c2ccccc21,1215,1,174.07
+Cc1cc(C(=O)O)ccc1[N+](=O)[O-],1216,1,181.04
+c1cc2c3c(cccc3c1)[C@@H]1N[C@H]21,1217,1,167.07
+Cc1cccc(C(=O)O)c1[N+](=O)[O-],1218,1,181.04
+O=[N+]([O-])c1ccc(CNCCO)o1,1219,1,186.06
+CC(C)(C)OC(=O)C(N)CN=[N+]=[N-],1220,1,186.11
+C[C@]1(c2ccc([N+](=O)[O-])cc2)CO1,1221,1,179.06
+c1cc2c(cc1C[C@@H]1CO1)OCO2,1223,1,178.06
+CCC1=C(C(=O)OC)C(=O)OC1C,1224,1,184.07
+CCCCN(C[C@H](O)CCO)N=O,1225,1,190.13
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+O=[N+]([O-])c1ccc(O[C@H]2CO2)cc1,1228,1,181.04
+CCCCN(CCCC(=O)O)N=O,1229,1,188.12
+NC(CSC(=O)NCCCl)C(=O)O,1230,1,226.02
+CC(CCN=[N+]=[N-])c1ccccc1,1232,1,175.11
+CCCC[C@@H](CC)COC[C@H]1CO1,1234,1,186.16
+[N-]=[N+]=Nc1ccc(F)c([N+](=O)[O-])c1,1235,1,182.02
+Cc1c(C(=O)O)cccc1[N+](=O)[O-],1236,1,181.04
+Cn1c(N=[N+]=[N-])nc2ccccc21,1237,1,173.07
+O=[N+]([O-])c1ccc(S(=O)(=O)Cl)cc1,1238,1,220.95
+ClCCOP(OCCCl)OCCCl,1239,1,267.96
+Cc1ccc([N+](=O)[O-])cc1C(=O)O,1240,1,181.04
+[O-][n+]1ccc(NO)c2ccccc21,1241,1,176.06
+C=CC(=O)N(C[C@H]1CO1)C[C@H]1CO1,1242,1,183.09
+Nc1ccccc1-c1ccccc1,1243,1,169.09
+c1ccc2c(c1)[nH]c1cnccc12,1244,1,168.07
+N/C(=N\O)c1cc(O)c(O)c(O)c1,1245,1,184.05
+S=C=Nc1cccc2ccccc12,1246,1,185.03
+Cc1cccc([N+](=O)[O-])c1C(O)O,1247,1,183.05
+CC(C)CN(N=O)C(=N)N[N+](=O)[O-],1248,1,189.09
+c1ccc2cc([C@@H]3CO3)ccc2c1,1249,1,170.07
+Cc1ccc(C(=O)O)cc1[N+](=O)[O-],1250,1,181.04
+CN(C)C(=S)S.CN(C)C(=S)S,1251,1,305.93
+COc1ccc(NC(C)=O)cc1N,1252,1,180.09
+CCCOS(=O)(=O)c1ccccc1,1253,1,200.05
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+NC(=O)N(Cc1ccccc1)N=O,1255,1,179.07
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+CN(Cc1ccc(C#N)cc1)N=O,1258,1,175.07
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+[N-]=[N+]=Nc1ccc(F)c([N+](=O)[O-])c1,1262,1,182.02
+NCCc1cc(O)c(O)cc1O,1263,1,205.05
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+Nc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1,1324,1,183.03
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+Nc1c2c(nc3ccccc13)CCCC2,1639,1,198.12
+Nc1ccc(N=Nc2ccccc2)cc1,1640,1,197.1
+O=Nc1ccc(Nc2ccccc2)cc1,1644,1,198.08
+Cc1cc(-c2ccccc2C)ccc1N,1645,1,197.12
+CC(C)(COC[C@H]1CO1)COC[C@H]1CO1,1646,1,216.14
+C/C=C/c1cc(OC)c(OC)cc1OC,1647,1,208.11
+Cc1ccc(S(=O)(=O)OCC2CO2)cc1,1648,1,228.05
+c1ccc(N=NNc2ccccc2)cc1,1649,1,197.1
+CC(=O)O[C@H](c1ccccc1)N(C)N=O,1650,1,208.08
+C[n+]1c2ccccc2cc2ccccc21,1651,1,194.1
+Nn1nnc2c3ccccc3nc-2c1O,1655,1,201.07
+CC(C)(C)c1ccc(OC[C@H]2CO2)cc1,1658,1,206.13
+O=P(O)(OCC(Br)CBr)OCC(Br)CBr,1659,1,493.71
+CCCCCCN(N=O)C(=N)N[N+](=O)[O-],1660,1,217.12
+Cc1cc(N)ccc1-c1ccc(O)cc1,1661,1,199.1
+O=C/C=C/C=C/c1ccc([N+](=O)[O-])cc1,1662,1,203.06
+ONc1cnc2c(c1)nc1ccccn12,1663,1,200.07
+[N-]=[N+]=NCC(O)Cn1ccc(N)nc1=O,1664,1,210.09
+Cc1ccc2c(c1)[C@H](C)c1ccccc1-2,1665,1,194.11
+Cc1nccc2c1[nH]c1cc(O)ccc12,1666,1,198.08
+O=C1Nc2ccc(S(=O)(=O)O)cc2C1=O,1667,1,226.99
+Nc1ccc2ccc3ccccc3c2n1,1668,1,194.08
+CON(C)C(=O)Nc1ccc(Cl)c(Cl)c1,1669,1,248.01
+[N-]=[N+]=NCC(O)Cn1ccc(=O)[nH]c1=O,1670,1,211.07
+Cn1c(N)nc2c3cccnc3ccc21,1671,1,198.09
+CNC1Cc2cccc3cccc(c23)C1,1672,1,197.12
+Nc1ccc2ccccc2c1S(=O)(=O)O,1674,1,223.03
+COc1cc([N+](=O)[O-])c2ncccc2c1,1675,1,204.05
+COc1ccc(NOS(=O)(=O)O)cc1N,1676,1,234.03
+CCCCN(N=O)[C@@H](CCC)OC(C)=O,1677,1,216.15
+C=C[C@@H](OC(C)=O)c1ccc(OC)cc1,1678,1,206.09
+[N-]=[N+]=NCC(O)C(O)C(O)C(O)C(=O)O,1680,1,221.06
+Nc1ccn([C@@H]2CC[C@H](CO)O2)c(=O)n1,1682,1,211.1
+Nc1c2ccccc2nc2ccccc12,1683,1,194.08
+CC(C)(C)c1ccc(OCC2CO2)cc1,1684,1,206.13
+CC(C)(COCC1CO1)COCC1CO1,1685,1,216.14
+Nc1ccc(/N=N/c2ccccc2)cc1,1686,1,197.1
+Nc1cccc2cccc(S(=O)(=O)O)c12,1688,1,223.03
+Nc1ccc2cc3ccccc3cc2c1,1689,1,193.09
+CCCCOS(=O)(=O)c1ccc(C)cc1,1690,1,228.08
+CCCCCCN(N=O)C(N)=N[N+](=O)[O-],1691,1,217.12
+Cc1cc(-c2ccccc2)cc(C)c1N,1692,1,197.12
+Cc1c([N+](=O)[O-])cc(NO)cc1[N+](=O)[O-],1693,1,213.04
+c1ccc2c(OC[C@@H]3CO3)cccc2c1,1694,1,200.08
+Cc1nc(N)cc2[nH]c3ccccc3c12,1695,1,197.1
+c1ccc2c(OC[C@H]3CO3)cccc2c1,1696,1,200.08
+Cc1ccc(S(=O)(=O)OC[C@H]2CO2)cc1,1697,1,228.05
+CCCS(=O)(=O)n1ncc(Cl)c(Cl)c1=O,1700,1,269.96
+N#[N+]c1ccc(CO)cc1,1701,1,233.02
+CCc1cc(-c2ccccc2)ccc1N,1702,1,197.12
+c1ccc(/N=N/Nc2ccccc2)cc1,1704,1,197.1
+c1ccc2c(c1)-c1ccccc1[C@@H]1O[C@H]21,1705,1,194.07
+c1ccc([C@H]2N[C@H]2c2ccccc2)cc1,1706,1,195.1
+O=C/C=C/C=C\c1ccc([N+](=O)[O-])cc1,1707,1,203.06
+CC(=O)CC(C)=O.CC(=O)CC(C)=O,1710,1,264.03
+Cc1nccc2c1[nH]c1ccccc12,1712,1,218.06
+Cc1ccc2c(c1)C(C)c1ccccc1-2,1713,1,194.11
+CN(C)/N=N/c1ccc(C(=O)O)cc1,1716,1,232.05
+Cc1ccc(S(=O)(=O)OC[C@@H]2CO2)cc1,1717,1,228.05
+C=C(CN(C)C)C(=O)c1ccccc1,1719,1,225.09
+O=c1cn[nH]c(=O)[nH]1.OCCNCCO,1720,1,218.1
+Nn1[nH]nc2c3ccccc3nc-2c1=O,1722,1,201.07
+[N-]=[N+]=NCC(O)C(O)C(O)C(O)C(=O)O,1723,1,221.06
+CCCCc1c(N)ccc2ccccc12,1726,1,199.14
+[N-]=[N+]=NCC(O)Cn1ccc(N)nc1=O,1727,1,210.09
+Nc1ccc(O)c2c1C(=O)C=C(O)C2=O,1728,1,205.04
+CC(=O)NC(CSC(Cl)=C(Cl)Cl)C(=O)O,1729,1,290.93
+c1cc2c3c(c1)ccc1cccc(c13)C2,1730,1,190.08
+Fc1cnc2ccc3cccnc3c2c1,1731,1,198.06
+NC(CS/C(Cl)=C(\Cl)C(Cl)(Cl)Cl)C(=O)O,1733,1,330.86
+Fc1cc2ccccc2c2ncccc12,1734,1,197.06
+Cn1c(N)nc2c3cnccc3ccc21,1735,1,198.09
+Nc1ccc2ccc3ccccc3c2c1,1736,1,193.09
+ONc1ccc(Sc2ccccc2)cc1,1737,1,217.06
+[O-][N+](=Nc1ccccc1)c1ccccc1,1738,1,198.08
+c1ccc2c(c1)-c1ccccc1C1NC21,1739,1,193.09
+c1cnc2c3c(ccc2c1)CCC1OC31,1740,1,197.08
+Clc1c2ccccc2cc2ccccc12,1741,1,212.04
+COc1ccc(CNC(=O)C(C)Br)cc1,1742,1,271.02
+O=C(O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1,1743,1,212.01
+N#Cc1cccc2c([N+](=O)[O-])cccc12,1744,1,198.04
+COc1c2ccccc2nc2occc12,1745,1,199.06
+c1cnc2ccc3c(c2c1)C1OC1CC3,1746,1,197.08
+Nc1ccc2nc3ccccc3cc2c1,1747,1,194.08
+Fc1cccc2c1ccc1ncccc12,1748,1,197.06
+Nc1ccc(Cc2ccc(N)cc2)cc1,1749,1,198.12
+CCNC(=O)/C=C/c1ccc([N+](=O)[O-])o1,1750,1,210.06
+CCOC1=CC(=O)C(NC(C)=O)=CC1=O,1751,1,209.07
+CCC(=O)OCc1ccc([N+](=O)[O-])cc1,1752,1,209.07
+ClNc1ccc2c(c1)Cc1ccccc1-2,1754,1,215.05
+Cc1ccc(C)c2c1[nH]c1ccccc12,1755,1,195.1
+Cc1cccn2c1nc1ccc(N)nc12,1756,1,198.09
+ONc1ccc(Oc2ccccc2)cc1,1757,1,201.08
+O=[N+]([O-])c1ccc2cccc3c2c1C=C3,1758,1,197.05
+O=[N+]([O-])C1=Cc2cccc3cccc1c23,1759,1,197.05
+Fc1cc2cccnc2c2cccnc12,1760,1,198.06
+CNC(=O)Oc1ccccc1OC(C)C,1761,1,209.11
+Cn1c(N)nc2nc3cnccc3cc21,1763,1,199.09
+Nc1cccc2nc3ccccc3nc12,1764,1,195.08
+Cc1ccc2cc3ccccc3cc2c1,1765,1,192.09
+Cn1c(N)nc2ccc3ncccc3c21,1766,1,198.09
+Cc1c(NO)cc([N+](=O)[O-])cc1[N+](=O)[O-],1767,1,213.04
+Cc1ccc2c(c1)-c1ccccc1C2C,1768,1,194.11
+Fc1cccc2ccc3ncccc3c12,1770,1,197.06
+Fc1cnc2ccc3ccccc3c2c1,1771,1,197.06
+N#CSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-],1772,1,224.98
+CNC(=O)Oc1cccc2ccccc12,1773,1,201.08
+Nc1cccc2c1ccc1ccccc12,1774,1,193.09
+COC(=O)/C(C)=C/c1ccc([N+](=O)[O-])o1,1775,1,211.05
+Nc1cc2ccccc2c2ccccc12,1776,1,193.09
+COc1cccc2c1C1(C)OOC1(C)O2,1777,1,208.07
+CCc1cccc(CC)c1NC(=O)CCl,1778,1,225.09
+O=[N+]([O-])c1ccc2c3c(cccc13)C=C2,1779,1,197.05
+Cn1c(N)nc2nc3ccccc3cc21,1780,1,198.09
+O=c1[nH][nH]c(=O)c2cc([N+](=O)[O-])ccc12,1781,1,207.03
+Nc1cccc2cc3ccccc3cc12,1782,1,193.09
+O=[N+]([O-])c1ccc(-c2ccccc2)cc1,1783,1,199.06
+COc1cccc2c1OC1(C)OOC21C,1784,1,208.07
+COCC12OOC1(C)c1ccccc1O2,1785,1,208.07
+O=Nc1ccc2c(c1)Cc1ccccc1-2,1786,1,195.07
+Nc1ccc(Oc2ccc(N)cc2)cc1,1787,1,200.09
+Cn1c2ccccc2c2cc(N)ccc21,1789,1,196.1
+Nc1ccc(/C=C/c2ccccc2)cc1,1790,1,195.1
+O=C1c2ccccc2Cc2ccccc21,1791,1,194.07
+O=Nc1ccc(Oc2ccccc2)cc1,1792,1,199.06
+Nc1ccc(CCc2ccccc2)cc1,1793,1,197.12
+CC1c2ccccc2-c2ccc(F)cc21,1794,1,198.08
+Cc1cccc2c1C(C)c1ccccc1-2,1795,1,194.11
+CN(C)C(=O)/C=C/c1ccc([N+](=O)[O-])o1,1797,1,210.06
+O=C(CCl)Nc1snc2cc(Cl)ccc12,1798,1,259.96
+Nc1ccc(Sc2ccc(N)cc2)cc1,1799,1,216.07
+ONc1ccc2c(c1)Cc1ccccc1-2,1800,1,197.08
+Cc1cccc2c1-c1ccccc1C2C,1801,1,194.11
+O=C(CC(O)C(=O)OCCBr)OCCBr,1802,1,345.91
+COc1cc([N+](=O)[O-])ccc1NC(C)=O,1804,1,210.06
+Nc1c2ccccc2cc2ccccc12,1805,1,193.09
+Oc1cc2ccccc2c2ccccc12,1806,1,194.07
+COP(=S)(OC)Oc1ccc(N)c(C)c1,1807,1,247.04
+CCc1cccc(CC)c1NC(=O)CO,1808,1,207.13
+Nc1ccc2cc3ccccc3nc2c1,1809,1,194.08
+CCOC(=O)/C=C/c1ccc([N+](=O)[O-])o1,1810,1,211.05
+O=C(CCl)Nc1snc2ccc(Cl)cc12,1811,1,259.96
+O=[N+]([O-])c1ccc2c(CCO)c[nH]c2c1,1812,1,206.07
+O=C(O)c1ccc([N+](=O)[O-])c([N+](=O)[O-])c1,1813,1,212.01
+Cn1c(N)nc2cc3ccccc3cc21,1814,1,197.1
+OC1c2ccccc2Oc2ccccc21,1816,1,198.07
+Fc1ccc2ccc3cccnc3c2c1,1818,1,197.06
+Cc1c2ccccc2cc2ccccc12,1819,1,192.09
+O=[N+]([O-])c1ccc2c3c(cccc13)CC2,1821,1,199.06
+O=Nc1ccc(Sc2ccccc2)cc1,1822,1,215.04
+Cc1ccc2nsc(NC(=O)CCl)c2c1,1823,1,240.01
+c1ccc2c(CCC3CO3)cccc2c1,1824,1,198.1
+Clc1cc2ccccc2c2ccccc12,1825,1,212.04
+Cc1ccc2c(ccc3ccccc32)c1,1826,1,192.09
+O=C(O)c1cc([N+](=O)[O-])ccc1[N+](=O)[O-],1827,1,212.01
+Fc1cccc2c1ccc1cccnc12,1828,1,197.06
+Fc1cc2cccnc2c2ncccc12,1829,1,198.06
+O=[N+]([O-])c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1,1831,1,213.0
+Cc1cccc2c1ccc1ccccc12,1832,1,192.09
+Nc1cccc2nc3ccccc3cc12,1833,1,194.08
+Nc1ccc2nc3ccccc3nc2c1,1834,1,195.08
+COC(=O)C(CSCC(C)Br)NC(C)=O,1835,1,297.0
+Clc1ccc2cc3ccccc3cc2c1,1836,1,212.04
+Cc1cc2c(nc1N)[nH]c1ccccc12,1837,1,197.1
+c1ccc([C@H]2N[C@@H]2c2ccccc2)cc1,1838,1,195.1
+O=S(=O)(O)c1ccc(O)c2ncccc12,1839,1,225.01
+O=C(O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-],1840,1,212.01
+CN(CCCC(O)c1cccnc1)N=O,1841,1,209.12
+O=C(Cl)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1,1842,1,229.97
+Cn1c(N)nc2c3ncccc3ccc21,1843,1,198.09
+[O-][n+]1c2ccccc2nc2ccccc21,1844,1,196.06
+Cn1c(N)nc2c3ccncc3ccc21,1845,1,198.09
+CN(CCCC(=O)c1cccnc1)N=O,1846,1,207.1
+CNc1ccc2nc(C)c(C)nc2c1C,1847,1,201.13
+Fc1cc2cccnc2c2ccccc12,1848,1,197.06
+c1ccc2cc(OCC3CO3)ccc2c1,1849,1,200.08
+CN(Cc1cccc(C(F)(F)F)c1)N=O,1850,1,218.07
+O=[N+]([O-])c1ccc(/C=N/n2cccn2)o1,1851,1,206.04
+Nc1ccc2c(ccc3ccccc32)c1,1852,1,193.09
+CC(=O)Nc1cccc2cc(F)cnc12,1854,1,204.07
+O=[N+]([O-])c1ccc2cccc3c2c1CC3,1855,1,199.06
+C/C=C\c1cc(OC)c(OC)cc1OC,1856,1,208.11
+COc1ccc(N)cc1N,1857,1,236.05
+O=C(O)C[C@H](C(=O)O)[C@@H](CC(=O)O)C(=O)O,1858,1,234.04
+O=C1C=C(S(=O)(=O)O)c2ccccc2C1=O,1859,1,237.99
+COc1ccn(CC(O)CN=[N+]=[N-])c(=O)n1,1861,1,225.09
+CCOc1ccc(NC(C)=O)cc1[N+](=O)[O-],1862,1,224.08
+CC/C=C/C=C/C=C/C=C/C=C/OCCC,1864,1,218.17
+Nc1ccc(N=Nc2ccccc2)c(N)c1,1865,1,212.11
+OCc1c2ccccc2cc2ccccc12,1867,1,208.09
+CN(C)C1Cc2cccc3cccc(c23)C1,1869,1,211.14
+[N-]=[N+]=NC(c1ccccc1)c1ccccc1,1870,1,209.1
+c1cc(OC[C@H]2CO2)cc(OC[C@H]2CO2)c1,1871,1,222.09
+CCOc1ccc(NC(=O)C[C@@H](C)O)cc1,1874,1,223.12
+CC[n+]1c2ccccc2nc2ccccc21,1875,1,209.11
+C[n+]1c2ccccc2cc2ccc(N)cc21,1876,1,209.11
+OC1C=Cc2c(ccc3cccnc23)C1O,1877,1,213.08
+COc1cc(OC)c2c(c1)OC1OC=CC21,1878,1,220.07
+CCCCOc1ccc(CC(=O)NO)cc1,1879,1,223.12
+COc1ccc2c(c1)[nH]c1c(C)nccc12,1880,1,212.09
+CCCCCCC(C)(C)C(=O)OC[C@@H]1CO1,1881,1,228.17
+Cc1cc(N)ccc1-c1ccc(N)cc1C,1883,1,212.13
+COc1c2ccoc2cc2oc(=O)ccc12,1884,1,216.04
+N=C(Nc1ccccc1)Nc1ccccc1,1885,1,211.11
+Nc1cc2nc3ccccc3nc2cc1N,1886,1,210.09
+O=CNc1nc(-c2ccc([N+](=O)[O-])s2)cs1,1887,1,254.98
+CC(C)(C)OC(=O)NC(CN=[N+]=[N-])C(=O)O,1888,1,230.1
+CC(=O)OCCOCCOCCOC(C)=O,1889,1,234.11
+CN(C(=O)CCCl)c1snc2ccccc12,1890,1,254.03
+Cc1ccc(OC(=O)N(C)N=O)c(C)c1C,1892,1,222.1
+CS(=O)(=O)OC[C@@H](O)[C@H](O)COS(C)(=O)=O,1893,1,278.01
+O=C(CBr)c1ccc(-c2ccccc2)cc1,1894,1,274.0
+ONc1ccc(N=Nc2ccccc2)cc1,1895,1,213.09
+CC(C)(C)CCCCCC(=O)OC[C@H]1CO1,1896,1,228.17
+CCn1c2ccccc2c2cc(N)ccc21,1897,1,210.12
+Nc1ccc2nc3ccc(N)cc3[s+]c2c1,1898,1,228.06
+C[n+]1c2ccccc2c(N)c2ccccc21,1899,1,209.11
+Nc1ccc(N=Nc2ccc(N)cc2)cc1,1900,1,212.11
+O=CNc1nc(-c2cc([N+](=O)[O-])cs2)cs1,1901,1,254.98
+CCC(=O)N(O)c1ccc2ccccc2c1,1902,1,215.09
+C[n+]1c2ccccc2cc2cc(N)ccc21,1903,1,209.11
+O=C(OC[C@H]1CO1)c1ccc([N+](=O)[O-])cc1,1904,1,223.05
+Nc1nc(/C=C\c2ccc([N+](=O)[O-])o2)cs1,1907,1,237.02
+Cn1c(N)nc2c3ccc(O)nc3ccc21,1908,1,214.09
+Nc1cc2nc3ccccc3nc2cc1O,1909,1,211.07
+C=C[C@@H](OC(C)=O)c1ccc2c(c1)OCO2,1910,1,220.07
+Cc1cn(CC(O)CN=[N+]=[N-])c(=O)[nH]c1=O,1911,1,225.09
+C[n+]1c2ccccc2cc2c(N)cccc21,1912,1,209.11
+O=CN(O)c1ccc(-c2ccccc2)cc1,1913,1,213.08
+CNc1ccc(N=Nc2ccccc2)cc1,1914,1,211.11
+CC(C)NC(=O)/C=C\c1ccc([N+](=O)[O-])o1,1915,1,224.08
+c1cc(OCC2CO2)cc(OCC2CO2)c1,1916,1,222.09
+c1cc2ccc3cccc4ccc(c1)c2c34,1917,1,202.08
+c1ccc2c(c1)-c1cccc3cccc-2c13,1919,1,202.08
+F[B-](F)(F)F.N#[N+]c1ccc([N+](=O)[O-])cc1,1920,1,237.03
+CCC(C)(CCC(C)C)C(=O)OCC1CO1,1922,1,228.17
+CS(=O)(=O)OCC(O)C(O)COS(C)(=O)=O,1923,1,278.01
+Nc1ccc(/N=N/c2ccc(N)cc2)cc1,1924,1,212.11
+O=C1C=Cc2c(ccc3ccccc23)C1=O,1925,1,208.05
+Cc1cc(Nc2ccc(O)cc2)ccc1N,1926,1,214.11
+[N-]=[N+]=NC(c1ccccc1)c1ccccc1,1927,1,209.1
+CCOC(/C=C(\C)CCC=C(C)C)OCC,1928,1,226.19
+N#[N+]c1ccc(C(=O)O)cc1,1929,1,247.0
+O=[N+]([O-])c1cccc2[nH]c3ccccc3c12,1930,1,212.06
+O=C(O)CCC(=O)N(O)c1ccc(Cl)cc1,1932,1,243.03
+CCCCNNCCCC.O=C(O)C(=O)O,1933,1,234.16
+Cn1c(N)nc2c3ccc(=O)[nH]c3ccc21,1935,1,214.09
+COc1cc(OC)c2c(c1)O[C@@H]1OC=C[C@H]21,1936,1,220.07
+O=CNc1ccc(Oc2ccccc2)cc1,1938,1,213.08
+COCc1ccc([N+]#N)cc1,1939,1,247.04
+Nc1c2ccccc2nc2ccccc12,1940,1,230.06
+CN(C)c1ccc(/N=N/S(=O)(=O)O)cc1,1941,1,252.04
+Nc1ccc2c(c1)Cc1cc(N)ccc1-2,1942,1,231.07
+Nc1ccc(-c2ccc(N)cc2)cc1,1943,1,256.05
+CNc1ccc(/N=N/c2ccccc2)cc1,1946,1,211.11
+Nc1ccc2nc3ccccc3nc2c1N,1947,1,210.09
+Nc1c2c(nc3ccccc13)CCCC2,1948,1,234.09
+CC(C)NC(=O)/C=C/c1ccc([N+](=O)[O-])o1,1949,1,224.08
+Nc1cc2nc3ccccc3[nH]c-2cc1=O,1951,1,211.07
+C[n+]1c2ccccc2cc2ccccc21,1952,1,229.07
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+O=[N+]([O-])c1ccc2c(c1)Cc1ccccc1-2,1990,1,211.06
+O=C1c2ccccc2C(=O)N1SC(Cl)(Cl)Cl,1992,1,294.9
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+O=[N+]([O-])c1ccc2oc3ccccc3c2c1,1994,1,213.04
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+O=C(OCCBr)C(O)C(O)C(=O)OCCBr,2000,1,361.9
+O=[N+]([O-])c1ccccc1SSC(Cl)=C(Cl)Cl,2001,1,314.87
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+Cc1cccn2c1nc1ccc(NO)nc12,2006,1,214.09
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+O=C1OCCN1/N=C/c1ccc([N+](=O)[O-])o1,2009,1,225.04
+O=[N+]([O-])c1cccc2c([N+](=O)[O-])cccc12,2010,1,218.03
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+O=[N+]([O-])c1cnc2c(c1)nc1ccccn12,2012,1,214.05
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+O=[N+]([O-])c1ccc2c(c1)sc1ccccc12,2025,1,229.02
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+CCC(C)OC(=O)/C=C/c1ccc([N+](=O)[O-])o1,2226,1,239.08
+CCC(C)NC(=O)/C=C/c1ccc([N+](=O)[O-])o1,2227,1,238.1
+CCOc1ccc(N(O)C(=O)CC(C)O)cc1,2229,1,239.12
+Cc1ccc(NC2OC[C@@H](O)[C@@H](O)[C@@H]2O)cc1,2230,1,239.12
+O=c1c2c(c3c(ccc4ccc[nH]c43)c1O)O2,2231,1,225.04
+CCN(CC(O)C1=CC(=O)C(=[N+]=[N-])C=C1)N=O,2233,1,236.09
+CC/C=C/C=C/C=C\C=C\C=C\OCC(C)O,2234,1,234.16
+[N-]=[N+]=NCC(O)CN1NCc2c(N)ncnc21,2236,1,236.11
+[N-]=[N+]=NCC(O)Cn1cnc2c(Cl)ncnc21,2237,1,253.05
+COc1nc(=O)n(CC(O)CN=[N+]=[N-])cc1C,2238,1,239.1
+CC(C)(C)c1cc(-c2ccccc2)ccc1N,2239,1,225.15
+CCc1ccc(C=Cc2ccc(N)cc2)cc1,2240,1,223.14
+CCCCc1cc(-c2ccccc2)ccc1N,2241,1,225.15
+Cc1c2ccccc2c(CBr)c2ccccc12,2242,1,284.02
+c1ccc2c(c1)ccc1ccc3c(c12)CCC3,2243,1,218.11
+Nc1ccc2c3c(cccc13)-c1ccccc1-2,2244,1,217.09
+CC(=O)Oc1ccc2c(c1)OC1(C)OOC21C,2245,1,236.07
+CC(C)(C)NC(=O)/C=C/c1ccc([N+](=O)[O-])o1,2246,1,238.1
+Cn1c([N+](=O)[O-])nc2c3cccnc3ccc21,2247,1,228.06
+O=[N+]([O-])c1ccc2ccc3ccccc3c2c1,2248,1,223.06
+CC(=O)Oc1ccc2c(c1)C1(C)OOC1(C)O2,2249,1,236.07
+Nc1ccc2c(c1)C(=O)c1ccccc1C2=O,2250,1,223.06
+CC(=O)Nc1ccc(-c2ccc(N)cc2)cc1,2251,1,226.11
+Nc1ccc(Nc2ccc([N+](=O)[O-])cc2)cc1,2252,1,229.09
+Nc1cc2cccc3ccc4cccc1c4c32,2253,1,217.09
+Cc1cnc2c(cc(C)c3c2nc(N)n3C)n1,2255,1,227.12
+COC(=O)/C(=C/c1ccc([N+](=O)[O-])o1)[N+](=O)[O-],2256,1,242.02
+ClCc1c2ccccc2c(Cl)c2ccccc12,2258,1,260.02
+N#Cc1ccc(/C=C/c2ccc(N)cc2)cc1,2259,1,220.1
+Cc1cc(N=Nc2cccnc2)c(N)cc1N,2260,1,227.12
+Nc1ccc2c(c1)-c1cccc3cccc-2c13,2261,1,217.09
+O=[N+]([O-])c1cccc2nc3ccccc3nc12,2262,1,225.05
+CC(=O)Nc1ccc(Oc2ccccc2)cc1,2263,1,227.09
+O=C(Nc1ccccc1)c1csc([N+](=O)[O-])c1,2264,1,248.03
+CC(C)COC(=O)/C=C/c1ccc([N+](=O)[O-])o1,2265,1,239.08
+CCc1nc2ccc(NC)c(C)c2nc1CC,2266,1,229.16
+CNc1ccc2ccc3ccc(O)cc3c2c1,2267,1,223.1
+Nc1cc(N)c(-c2ccccc2)c([N+](=O)[O-])c1,2268,1,229.09
+COc1ccc([Se]c2ccc(OC)cc2)cc1,2269,1,294.02
+O=C1c2ccccc2-c2cc([N+](=O)[O-])ccc21,2270,1,225.04
+Nc1ccc2cccc3c2c1-c1ccccc1-3,2271,1,217.09
+CC1CN(/N=C/c2ccc([N+](=O)[O-])o2)C(=O)N1,2273,1,238.07
+Nc1cc2c3c(cccc3c1)-c1ccccc1-2,2274,1,217.09
+CC(=O)N(O)c1ccc(-c2ccccc2)cc1,2275,1,227.09
+O=[N+]([O-])c1cccc2c1ccc1ccccc12,2277,1,223.06
+Nc1ccc(Oc2ccc(N)c(Cl)c2)cc1Cl,2278,1,268.02
+O=C1CN(/N=C/c2ccc([N+](=O)[O-])o2)C(=O)N1,2279,1,238.03
+CCCON(OC(C)=O)C(=O)c1ccccc1,2280,1,237.1
+Cc1ccc2c(=O)c3cccc4ccc1c2c43,2281,1,218.07
+Cc1cnc2cc(C)c3c(nc(N)n3C)c2n1,2283,1,227.12
+Nc1ccc(-c2ccc(N)c([N+](=O)[O-])c2)cc1,2284,1,229.09
+O=[N+]([O-])c1ccc2c(c1)Cc1cc(O)ccc1-2,2285,1,227.06
+CC(=O)ON(OC(C)C)C(=O)c1ccccc1,2286,1,237.1
+Nc1cc2[nH]c3ccccc3c2cc1[N+](=O)[O-],2287,1,227.07
+C1=Cc2c(ccc3ccc4ccccc4c23)C1,2288,1,216.09
+Cc1cnc2c(n1)c(C)cc1c2nc(N)n1C,2289,1,227.12
+O=[N+]([O-])c1cc2c(cc1O)[nH]c1ccccc12,2290,1,228.05
+O=[N+]([O-])c1c2ccccc2cc2ccccc12,2291,1,223.06
+O=C1c2ccccc2-c2ccc([N+](=O)[O-])cc21,2292,1,225.04
+CC(=O)Nc1nc(-c2ccc([N+](=O)[O-])o2)cs1,2293,1,253.02
+O=[N+]([O-])c1cc2ccccc2c2ccccc12,2295,1,223.06
+Cc1cnc2cc3nc(N)n(C)c3c(C)c2n1,2296,1,227.12
+Cc1c(C)c2c(nc(N)n2C)c2nccnc12,2297,1,227.12
+CCCCOC(=O)/C=C/c1ccc([N+](=O)[O-])o1,2298,1,239.08
+Cc1ccc2nsc(NC(=O)C(Cl)(Cl)Cl)c2c1,2299,1,307.93
+CC(=O)OCC12OOC1(C)c1ccccc1O2,2300,1,236.07
+O=C1c2ccccc2C(=O)c2c(O)cccc21,2301,1,224.05
+OCCN(CCO)c1ccc2ccccc2c1,2302,1,231.13
+O=[N+]([O-])c1ccc2cc3ccccc3cc2c1,2303,1,223.06
+Clc1ccc2ccc3cccc4ccc1c2c34,2304,1,236.04
+CN(C)Nc1nc(-c2ccc([N+](=O)[O-])o2)cs1,2305,1,254.05
+Cc1c([N+](=O)[O-])cc([N+](=O)[O-])c(N)c1[N+](=O)[O-],2306,1,242.03
+Nc1ccc2c(c1)Cc1cc([N+](=O)[O-])ccc1-2,2307,1,226.07
+COc1ccc2c(OC)c3ccoc3nc2c1,2308,1,229.07
+CC(=O)Nc1nnc(-c2ccc([N+](=O)[O-])o2)s1,2309,1,254.01
+COc1ccc2nc3occc3c(OC)c2c1,2310,1,229.07
+Cc1ccc2c(C)c3ccccc3c(C)c2c1,2311,1,220.13
+O=[N+]([O-])c1ccc2c(ccc3ccccc32)c1,2312,1,223.06
+Nc1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1,2313,1,246.05
+Cc1cnc2c(C)cc3c(nc(N)n3C)c2n1,2314,1,227.12
+N#Cc1cccc(/C=C/c2ccc(N)cc2)c1,2315,1,220.1
+O=[N+]([O-])c1ccc2c(c1)Oc1ccccc1O2,2316,1,229.04
+Oc1ccc2c(O)c3ccccc3cc2c1O,2317,1,226.06
+CC(=O)Nc1ccc(Sc2ccccc2)cc1,2318,1,243.07
+Cc1cc(N)c(C)c2c1[nH]c1ccc(O)cc12,2319,1,226.11
+CC(C)c1c(N)ccc2c1Cc1ccccc1-2,2320,1,223.14
+Cc1ccc2nc3ccc(C)cc3c(N)c2c1,2321,1,222.12
+O=[N+]([O-])c1ccc(Nc2ccc(Cl)cc2)cc1,2322,1,248.04
+Nc1cc2c(cc1[N+](=O)[O-])[nH]c1ccccc12,2323,1,227.07
+COc1c2ccoc2nc2c(OC)cccc12,2324,1,229.07
+CC(=O)NC(C(=O)N(CC(=O)O)N=O)C(C)C,2325,1,245.1
+CCn1c(N)nc2c3ncc(C)nc3ccc21,2326,1,227.12
+Cc1ccc(NC2OC[C@@H](O)[C@H](O)[C@H]2O)cc1,2327,1,239.12
+ClCCN(CCCl)c1ccc2ccccc2c1,2328,1,267.06
+COc1cccc(/C=C/c2ccc(N)cc2)c1,2329,1,225.12
+COP(=S)(OC)Oc1ccc([N+](=O)[O-])c(C)c1,2330,1,277.02
+Cc1c2ccccc2c(CCl)c2ccccc12,2332,1,240.07
+Cn1c2ccccc2c2cc([N+](=O)[O-])ccc21,2333,1,226.07
+CC(C)(C)OC(=O)/C=C/c1ccc([N+](=O)[O-])o1,2334,1,239.08
+Nc1ccccc1SCSc1ccccc1N,2335,1,262.06
+O=[N+]([O-])c1ccc(/C=C/c2ccccc2)cc1,2336,1,225.08
+CC(=O)OC(OC(C)=O)c1ccc([N+](=O)[O-])o1,2337,1,243.04
+Cc1ccc2ccc3cccc4ccc1c2c34,2338,1,216.09
+Nc1ccc(Cc2ccc(N)c(Cl)c2)cc1Cl,2339,1,266.04
+Nc1cccc2c1-c1cccc3cccc-2c13,2340,1,217.09
+OC1c2ccc3cccnc3c2C2OC2C1O,2341,1,229.07
+O=[N+]([O-])c1ccc2c(c1)Cc1cccc(O)c1-2,2342,1,227.06
+c1ccc(-c2ccccc2OCC2CO2)cc1,2343,1,226.1
+CN(C)c1nc2c3cccnc3ccc2n1C,2344,1,226.12
+Cc1nc2ccc3c(nc(N)n3C)c2nc1C,2345,1,227.12
+Nc1ccc(-c2cc(Cl)c(N)c(Cl)c2)cc1Cl,2346,1,285.98
+O=CNNc1nc(-c2ccc([N+](=O)[O-])o2)cs1,2347,1,254.01
+Nc1ncnc2c1ncn2Cc1ccccc1,2348,1,225.1
+Nc1ccc2ccc3cccc4ccc1c2c34,2349,1,217.09
+c1ccc2c(c1)ccc1c3ccccc3sc21,2350,1,234.05
+Cc1ccc(Nc2ccc([N+](=O)[O-])cc2)cc1,2351,1,228.09
+O=[N+]([O-])c1ccc2nc3ccccc3nc2c1,2352,1,225.05
+Cn1c(N)nc2ncc(-c3ccccc3)cc21,2353,1,224.11
+Cn1c2ccccc2c2ccc([N+](=O)[O-])cc21,2354,1,226.07
+COc1cc(OC)c2c(c1)OC1OC3OC3C21,2355,1,236.07
+COc1ccc(/C=C/c2ccc(N)cc2)cc1,2356,1,225.12
+O=[N+]([O-])c1ccc2c(c1)CCc1ccccc1-2,2358,1,225.08
+Nc1cc2ccc3cccc4ccc(c1)c2c34,2359,1,217.09
+CC(C)CNC(=O)/C=C/c1ccc([N+](=O)[O-])o1,2360,1,238.1
+COc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-],2361,1,243.01
+Nc1ccc2[nH]c3ccccc3c2c1[N+](=O)[O-],2362,1,227.07
+O=C1NCCCN1/N=C/c1ccc([N+](=O)[O-])o1,2363,1,238.07
+Nc1ccc2c([nH]c3ccccc32)c1[N+](=O)[O-],2364,1,227.07
+CC/C=C/C=C/C=C/C=C/C=C/OCCCO,2366,1,234.16
+c1ccc(-c2ccc(OCC3CO3)cc2)cc1,2367,1,226.1
+CCn1c(N)nc2c3nc(C)cnc3ccc21,2368,1,227.12
+CCn1c(N)nc2c3cccnc3cc(C)c21,2369,1,226.12
+O=CNc1ccc(Oc2ccc(Cl)cc2)cc1,2370,1,247.04
+O=CNc1nc(-c2ccc([N+](=O)[O-])cc2)cs1,2371,1,249.02
+CN(C)c1ccc(/C=C/c2ccccc2)cc1,2372,1,223.14
+Nc1cc2nc3ccc(Cl)cc3nc2cc1N,2374,1,244.05
+COc1ccc(CNC(=O)C(C)Br)cc1OC,2375,1,301.03
+ClC(Cl)=C(Cl)/C(Cl)=C(\Cl)SCc1ccccc1,2376,1,345.87
+COP(=O)(OC)Oc1ccc([N+](=O)[O-])c(C)c1,2377,1,261.04
+CCCCNC(=O)/C=C/c1ccc([N+](=O)[O-])o1,2378,1,238.1
+Nc1ncn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)n1,2379,1,244.08
+OCc1cc2ccc3cccc4ccc(c1)c2c34,2381,1,232.09
+C[C@@H]1C=Cc2c1ccc1c2ccc2ccccc21,2383,1,230.11
+Cc1c(N)cccc1N=Nc1cccc(N)c1C,2384,1,240.14
+Oc1cccc(/C=N/c2snc3ccccc23)c1,2387,1,254.05
+CCC(CC)c1cccc(OC(=O)N(C)N=O)c1,2388,1,250.13
+O=C(c1ccc(F)cc1)[C@H]1O[C@@H]1c1ccccc1,2389,1,242.07
+Nc1ncnc2c1ncn2C1OC(CO)CC1O,2390,1,251.1
+CCC(=O)N(O)c1ccc(-c2ccccc2)cc1,2391,1,241.11
+Cc1cccc(N=Nc2ccc(N(C)C)cc2)c1,2392,1,239.14
+CC(=O)NCc1nc(-c2ccc([N+](=O)[O-])o2)no1,2394,1,252.05
+Cc1cc2ncccc2c2nc(N=[N+]=[N-])n(C)c12,2395,1,238.1
+Cc1ccc(N)cc1N=Nc1cc(N)ccc1C,2397,1,240.14
+O=CNc1nc(/C=C\c2ccc([N+](=O)[O-])o2)cs1,2398,1,265.02
+Cc1cc(N(C)C)ccc1N=Nc1ccccc1,2399,1,239.14
+O=c1[nH]c(=O)n([C@H]2C[C@@H](O)[C@@H](CO)O2)cc1CO,2400,1,258.09
+Nc1c2ncn(Cc3ccccc3)c2nc[n+]1[O-],2401,1,241.1
+c1cc2c3c(c1)C1OC1c1cccc(c1-3)C1OC21,2403,1,234.07
+CCCCON(OC(C)=O)C(=O)c1ccccc1,2404,1,251.12
+C1=Cc2cc3cccc4ccc5ccc1c2c5c43,2405,1,226.08
+Nc1c(F)cc(-c2cc(F)c(N)c(F)c2)cc1F,2407,1,256.06
+Cc1cc2cc3cc(C)c(N)cc3nc2cc1N,2412,1,237.13
+CC(=O)Nc1ccc(/C=C\c2ccccc2)cc1,2414,1,237.12
+Cc1ccc(N=Nc2ccc(C)c(N)c2)cc1N,2415,1,240.14
+[N-]=[N+]=NCC(O)Cn1cnc2c(N)nc(N)nc21,2416,1,249.11
+CSc1ncnc2c1ncn2CC(O)CN=[N+]=[N-],2417,1,265.07
+C[C@@H]1CCc2c1ccc1c2ccc2ccccc21,2418,1,232.13
+Nc1cc(Cl)c(-c2cc(Cl)c(N)cc2Cl)cc1Cl,2419,1,319.94
+Cc1ccccc1N=Nc1ccc(N)c(C)c1N,2420,1,240.14
+OC1C=CC2=C(c3cccc4cccc2c34)C1O,2421,1,236.08
+Cc1cc(N=Nc2ccccc2C)c(N)cc1N,2422,1,240.14
+[N-]=[N+]=NCC(O)Cn1cnc2c(Cl)nc(N)nc21,2423,1,268.06
+CC(=O)NC1=NC(c2ccc([N+](=O)[O-])o2)=NOC1,2424,1,252.05
+N#[N+]c1cccc2c1C(=O)c1ccccc1C2=O,2425,1,235.05
+O=C1CCc2ccc3c(ccc4ccccc43)c21,2426,1,232.09
+Oc1ccc(/C=N/c2snc3ccccc23)cc1,2428,1,254.05
+[N-]=[N+]=NCCC(c1ccccc1)c1ccccc1,2429,1,237.13
+Cc1c2ccccc2c([C@@H]2CO2)c2ccccc12,2430,1,234.1
+O=C1CCc2c1ccc1c2ccc2ccccc21,2432,1,232.09
+CC(C)=C/C(C)=N/Nc1nncc2ccccc12,2433,1,240.14
+CC(=O)Nc1ccc2c(c1)Cc1cc(O)ccc1-2,2434,1,239.09
+NC1=C2C(=O)c3ccccc3C(=O)C2=C(N)CC1,2435,1,240.09
+O=C1c2ccccc2C(=O)c2c(O)ccc(O)c21,2436,1,240.04
+Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)C[C@H]1O,2437,1,251.1
+C[n+]1c2cc(N)ccc2cc2ccc(N)cc21,2438,1,259.09
+CNc1ccc2nc3ccc(N)cc3[s+]c2c1,2439,1,277.04
+O=[N+]([O-])c1ccc(-c2ccccc2)c([N+](=O)[O-])c1,2442,1,244.05
+O=C1c2ccccc2-c2cc3ccccc3cc21,2443,1,230.07
+O=C1C=C2c3ccccc3-c3cccc(c32)C1=O,2444,1,232.05
+Cc1ccc2c(c1O)C(=O)c1ccccc1C2=O,2445,1,238.06
+c1cc2c3oc3cc3ccc4c5oc5cc1c4c32,2448,1,230.04
+COc1cc(Oc2ccc(Cl)cc2Cl)ccc1N,2449,1,283.02
+CC(=O)Nc1ccc(Oc2ccc(Cl)cc2)cc1,2450,1,261.06
+Cc1ccc2c(c1)C(=O)c1cc(O)ccc1C2=O,2451,1,238.06
+O[C@H]1C=CC2=C(c3cccc4cccc2c34)[C@@H]1O,2454,1,236.08
+[N-]=[N+]=NCCC(c1ccccc1)c1ccccc1,2455,1,237.13
+O=C1CCCc2cc([N+](=O)[O-])c3ccccc3c21,2456,1,241.07
+O=C(O)c1c([N+](=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-],2457,1,256.99
+Cc1cc(N(C)C)ccc1/N=N/c1ccccc1,2461,1,239.14
+Cc1cccc(/N=N/c2ccc(N(C)C)cc2)c1,2462,1,239.14
+Cc1cc(-c2ccc(N)c(C)c2)ccc1N,2464,1,284.08
+Nc1ccc(-c2ccc(N)c(Cl)c2)cc1Cl,2465,1,323.98
+Cc1cc(/N=N/c2ccccc2C)ccc1N,2466,1,261.1
+N=c1c2ncn(Cc3ccccc3)c2ncn1O,2467,1,241.1
+Cc1cc(/N=N/c2ccccc2)c(N)cc1N,2468,1,262.1
+O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1CO,2469,1,258.09
+Nc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1,2470,1,265.04
+Cc1cc(/N=N/c2ccccc2C)c(N)cc1N,2472,1,240.14
+CC(=O)NC1C=NC(c2ccc([N+](=O)[O-])o2)=NO1,2475,1,252.05
+Nc1ccc(Oc2c(Cl)cc(Cl)cc2Cl)cc1,2476,1,322.94
+O=C(c1ccc(F)cc1)[C@@H]1O[C@H]1c1ccccc1,2478,1,242.07
+O[C@@H]1C=C2c3ccccc3-c3cccc(c32)[C@H]1O,2480,1,236.08
+Cc1ccccc1/N=N/c1ccc(N)c(C)c1N,2481,1,240.14
+C(=N/c1ccccc1)\c1cccc2cccnc12,2482,1,232.1
+CC/C=C/C=C/C=C\C=C\C=C\OCC(O)CO,2483,1,250.16
+Cc1ccc(/N=N/c2ccc(C)c(N)c2)cc1N,2486,1,240.14
+CC(=O)OCCCCONC(=O)c1ccccc1,2487,1,251.12
+Cc1cc2ncccc2c2nc(N=[N+]=[N-])n(C)c12,2488,1,238.1
+Cc1ccc(N)cc1/N=N/c1cc(N)ccc1C,2489,1,240.14
+Cc1c(N)cccc1/N=N/c1cccc(N)c1C,2490,1,240.14
+Oc1cccc(/C=N/C2SNc3ccccc32)c1,2491,1,256.07
+Oc1ccc(/C=N/C2SNc3ccccc32)cc1,2492,1,256.07
+[N-]=[N+]=NCC(O)C[n+]1c[nH]c2c(N)nc(N)nc21,2493,1,250.12
+[N-]=[N+]=NCC(O)C[n+]1c[nH]c2c(Cl)nc(N)nc21,2494,1,269.07
+CSc1ncnc2c1[nH]c[n+]2CC(O)CN=[N+]=[N-],2495,1,266.08
+CC(C)c1ccc(C=Cc2ccc(N)cc2)cc1,2496,1,237.15
+CCCCc1c(N)ccc2c1Cc1ccccc1-2,2497,1,237.15
+CC(=O)N(O)c1ccc(Oc2ccccc2)cc1,2498,1,243.09
+Nc1ccccc1SCCSc1ccccc1N,2499,1,276.08
+c1ccc2cc3c(ccc4cccnc43)cc2c1,2500,1,229.09
+ClCc1ccc2ccc3cccc4ccc1c2c34,2502,1,250.05
+CC/C=C/C=C/C=C/C=C/C=C/OCC(O)CO,2503,1,250.16
+CC(C)(C)CNC(=O)/C=C/c1ccc([N+](=O)[O-])o1,2504,1,252.11
+O=C1C=Cc2ccc3c4c(ccc1c24)C=CC3=O,2505,1,232.05
+O=C(O)COc1ccc(N(CCCl)CCCl)cc1,2506,1,291.04
+ClCc1c2ccccc2c(CCl)c2ccccc12,2507,1,274.03
+COc1ccc2c(ccc3oc([N+](=O)[O-])cc32)c1,2508,1,243.05
+ClCc1cc2c3c(cccc3c1)-c1ccccc1-2,2510,1,250.05
+NC(=O)/C(=C\c1ccc([N+](=O)[O-])o1)c1ccco1,2511,1,248.04
+O=C1c2ccccc2-c2c1ccc1ccccc21,2512,1,230.07
+O=c1oc2cc([N+](=O)[O-])ccc2c2ccccc12,2513,1,241.04
+Cc1cc2c(C)c3ccccc3c(C)c2cc1C,2514,1,234.14
+c1ccc(Cc2ccc(OCC3CO3)cc2)cc1,2515,1,240.12
+CC(C)(C)c1cc(-c2ccccc2)ccc1N=O,2516,1,239.13
+COc1ccc2[nH]c3c(C)cc(N)c(C)c3c2c1,2517,1,240.13
+CC(=O)N(O)c1ccc2c(c1)Cc1ccccc1-2,2520,1,239.09
+c1cnc2c(c1)ccc1c2ccc2cccnc21,2521,1,230.08
+CCCN(C(=O)CCCl)c1snc2ccccc12,2522,1,282.06
+C=CCN1C2c3ccccc3-c3ccccc3C21,2523,1,233.12
+O=C1c2cccc(O)c2C(=O)c2c(O)cccc21,2524,1,240.04
+c1ccc(Cc2ccccc2OCC2CO2)cc1,2525,1,240.12
+Nc1ccc(O)c2c1C(=O)c1ccccc1C2=O,2526,1,239.06
+c1ccc2cc3c(ccc4ccncc43)cc2c1,2527,1,229.09
+O=C(Nc1cccc(Cl)c1)c1csc([N+](=O)[O-])c1,2528,1,281.99
+c1ccc2c(c1)ccc1cc3cnccc3cc12,2529,1,229.09
+BrCc1cc2c3c(cccc3c1)-c1ccccc1-2,2530,1,294.0
+O=C(Nc1cccc(Br)c1)c1csc([N+](=O)[O-])c1,2531,1,325.94
+O=C1c2ccccc2-c2cccc3cccc1c23,2532,1,230.07
+O=C(NCc1ccccc1)C(Cl)c1ccccc1,2533,1,259.08
+c1ccc2c(c1)ccc1c3ccccc3ccc21,2535,1,228.09
+Cc1cccc(NC(=O)c2csc([N+](=O)[O-])c2)c1,2536,1,262.04
+BrCc1ccc2cccc3c2c1-c1ccccc1-3,2537,1,294.0
+CC(=O)Nc1ccc2c(c1)Cc1cccc(O)c1-2,2538,1,239.09
+COc1ccc(C(=O)c2ccccc2O)c(O)c1,2539,1,244.07
+O=C1c2ccccc2C(=O)c2c(O)cc(O)cc21,2540,1,240.04
+c1cc2c3c(c1)C1NC1c1cccc(c1-3)C1NC21,2541,1,232.1
+Cc1cc(O)c2c(O)c3c(O)cccc3cc2c1,2542,1,240.08
+Cn1c(NO)nc2ncc(-c3ccccc3)cc21,2543,1,240.1
+Nc1ccc(N)c2c1C(=O)c1ccccc1C2=O,2544,1,238.07
+OCc1ccc2ccc3cccc4ccc1c2c34,2545,1,232.09
+c1ccc2cc3c(ccc4ccccc43)cc2c1,2546,1,228.09
+O=c1oc2ccc([N+](=O)[O-])cc2c2ccccc12,2547,1,241.04
+Cc1ccc2c(c1N)C(=O)c1ccccc1C2=O,2548,1,237.08
+OCc1ccc2c(c1)-c1cccc3cccc-2c13,2549,1,232.09
+CC(C)(C)c1cc(-c2ccccc2)ccc1NO,2550,1,241.15
+c1ccc2c(c1)ccc1c3cccnc3ccc21,2551,1,229.09
+COc1cccc2c1C(=O)c1ccccc1C2=O,2552,1,238.06
+Cc1nc2c(C)cc3c(nc(N)n3C)c2nc1C,2553,1,241.13
+Oc1ccc(O)c2c(O)c3ccccc3c(O)c12,2554,1,242.06
+Nc1ccc(Cc2ccc(NO)c(Cl)c2)cc1Cl,2555,1,282.03
+COc1ccc2c3c(cccc13)OC([N+](=O)[O-])=C2,2556,1,243.05
+Cc1cnc2c(C)c(C)c3c(nc(N)n3C)c2n1,2557,1,241.13
+O=C(Nc1cccc(F)c1)c1csc([N+](=O)[O-])c1,2558,1,266.02
+CC(=O)N(Cl)c1ccc2c(c1)Cc1ccccc1-2,2559,1,257.06
+c1cnc2c(c1)ccc1c3cccnc3ccc12,2560,1,230.08
+Cc1cnc2cc(CO)c3c(nc(N)n3C)c2n1,2561,1,243.11
+O=CN(O)c1ccc(Oc2ccc(Cl)cc2)cc1,2562,1,263.03
+O=[N+]([O-])c1ccc(-c2ccc([N+](=O)[O-])cc2)cc1,2563,1,244.05
+CC(=O)N(O)c1ccc(Sc2ccccc2)cc1,2564,1,259.07
+O=[N+]([O-])c1ccc(/C=C/c2cccc(Cl)c2)cc1,2565,1,259.04
+COc1c2cc3c(cc2nc2occc12)OCO3,2566,1,243.05
+CNc1ccc(N(CCO)CCO)cc1[N+](=O)[O-],2567,1,255.12
+CC(C)(C)c1ccc(-c2ccc(NO)cc2)cc1,2569,1,241.15
+ClCc1ccc2c(c1)-c1cccc3cccc-2c13,2570,1,250.05
+CC(=O)Nc1nc2c3cccnc3ccc2n1C,2571,1,240.1
+C1=Cc2ccc3c4c(ccc1c24)-c1ccccc1-3,2572,1,226.08
+O=C(Nc1ccc(Cl)cc1)c1csc([N+](=O)[O-])c1,2573,1,281.99
+Cc1ccc(/C=C/c2ccc([N+](=O)[O-])cc2)cc1,2574,1,239.09
+Cc1ccccc1NC(=O)c1csc([N+](=O)[O-])c1,2575,1,262.04
+CC(=O)Nc1ccc(Oc2ccc(N)cc2)cc1,2576,1,242.11
+Nc1cccc2c1C(=O)c1cccc(N)c1C2=O,2577,1,238.07
+Cc1cnc2c(n1)c(C)c(C)c1c2nc(N)n1C,2578,1,241.13
+ClCc1ccc2c3c(cccc13)-c1ccccc1-2,2579,1,250.05
+c1ccc2c(c1)ccc1c2ccc2cccnc21,2580,1,229.09
+BrCc1cccc2c1-c1cccc3cccc-2c13,2581,1,294.0
+O=C(Nc1ccccc1F)c1csc([N+](=O)[O-])c1,2582,1,266.02
+O=C(Nc1ccc(Br)cc1)c1csc([N+](=O)[O-])c1,2583,1,325.94
+O=C(Nc1ccccc1Cl)c1csc([N+](=O)[O-])c1,2584,1,281.99
+Nc1ccc(/C=C/c2ccc([N+](=O)[O-])cc2)cc1,2585,1,240.09
+O=C(Nc1ccc(F)cc1)c1csc([N+](=O)[O-])c1,2586,1,266.02
+O=Nc1ccc2ccc3cccc4ccc1c2c34,2587,1,231.07
+Cc1ccc(NC(=O)c2csc([N+](=O)[O-])c2)cc1,2589,1,262.04
+BrCc1ccc2c(c1)-c1cccc3cccc-2c13,2590,1,294.0
+COc1cc2nc3cc(N)ccc3nc2cc1N,2591,1,240.1
+ONc1ncnc2c1ncn2Cc1ccccc1,2592,1,241.1
+CN(C(=O)c1csc([N+](=O)[O-])c1)c1ccccc1,2593,1,262.04
+Nc1c2ccccc2nc2ccc([N+](=O)[O-])cc12,2595,1,239.07
+O=C1c2ccccc2C(=O)c2c1ccc(O)c2O,2596,1,240.04
+O=[N+]([O-])c1ccc(/C=C/c2ccc(Cl)cc2)cc1,2598,1,259.04
+c1ccc2cc3cc4ccccc4cc3cc2c1,2599,1,228.09
+CCCCCOC(=O)/C=C/c1ccc([N+](=O)[O-])o1,2600,1,253.1
+CCOP(=O)(OCC)Oc1ccc([N+](=O)[O-])cc1,2601,1,275.06
+O=CN(O)c1ccc(/C=C/c2ccccc2)cc1,2602,1,239.09
+CC(C)(C)c1ccc(-c2ccc(N=O)cc2)cc1,2603,1,239.13
+COc1cc(-c2ccc(N)c(OC)c2)ccc1N,2604,1,244.12
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+O=C1c2cccc(O)c2C(=O)c2cccc(O)c21,2610,1,240.04
+CCCCCNC(=O)/C=C/c1ccc([N+](=O)[O-])o1,2611,1,252.11
+O=CNc1ccc(Oc2ccc(Cl)cc2Cl)cc1,2612,1,281.0
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+ClCc1ccc2cccc3c2c1-c1ccccc1-3,2614,1,250.05
+c1ccc2c(c1)ccc1c3ccncc3ccc21,2615,1,229.09
+O=C(Nc1snc2ccccc12)c1ccccc1,2616,1,254.05
+BrCc1ccc2c3c(cccc13)-c1ccccc1-2,2617,1,294.0
+CC(=O)Nc1cc2c(cc1Cl)-c1ccccc1C2,2618,1,257.06
+O=C1C=Cc2ccc3c4c(ccc1c24)C(=O)C=C3,2619,1,232.05
+O=C(Cl)OCC1c2ccccc2-c2ccccc21,2620,1,258.04
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+NC(=O)c1cc(N2CC2)c([N+](=O)[O-])cc1[N+](=O)[O-],2622,1,252.05
+Cc1c([N+](=O)[O-])cnc2c1nc1c(C)cccn12,2623,1,242.08
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+O=[N+]([O-])c1ccc(Oc2ccc(Cl)cc2Cl)cc1,2625,1,282.98
+c1ccc2c(c1)c1ccccc1c1ccccc21,2626,1,228.09
+Nc1ccc2c(c1N)C(=O)c1ccccc1C2=O,2627,1,238.07
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+O=c1oc2c([N+](=O)[O-])cccc2c2ccccc12,2629,1,241.04
+ClCc1cccc2c1-c1cccc3cccc-2c13,2631,1,250.05
+CCCCN(CC(CO)Cc1ccccc1)N=O,2633,1,250.17
+CCCCN(CC(O)C1=CC(=[N+]=[N-])C(=O)C=C1)N=O,2634,1,264.12
+Oc1cc2c3ccccc3ccc2c2ccccc12,2635,1,244.09
+Oc1ccc2ccccc2c1N=Nc1ccccc1,2636,1,248.09
+CCCCCCCC/C=C\CCCCCCCCN,2638,1,267.29
+N#C/C(=C\C=C\c1ccccc1)c1ccc(F)cc1,2639,1,249.1
+O=c1[nH]c(=O)n(C2CC(O)C(CO)O2)cc1CCCl,2640,1,290.07
+CCc1ccc(/C=C/c2ccc([N+](=O)[O-])cc2)cc1,2642,1,253.11
+CN(C)c1ccc(N=Nc2ccccc2CO)cc1,2643,1,255.14
+Cc1cc2nc3ccc(N(C)C)cc3nc2cc1N,2645,1,252.14
+COc1ccc([C@H]2O[C@@H]2C(=O)c2ccccc2)cc1,2646,1,254.09
+N#C/C(=C\C=C\c1ccccc1)c1ccc(Cl)cc1,2647,1,265.07
+C[C@H]1CS(=O)(=O)CCN1/N=C/c1ccc([N+](=O)[O-])o1,2648,1,287.06
+O=C(/C=C/c1ccccc1)c1ccc([N+](=O)[O-])cc1,2649,1,253.07
+O=C1c2ccccc2-c2ccc(O)c3cccc1c23,2650,1,246.07
+Cn1ccc2c3c(ccc4ccc(O)cc43)ccc21,2652,1,247.1
+OC1C=Cc2c(ccc3c2sc2ccccc23)C1O,2653,1,268.06
+O=C1CCCc2c1ccc1c2ccc2ccccc21,2655,1,246.1
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+OC[C@H]1O[C@@H](n2cnc3c(S)ncnc32)[C@H](O)[C@@H]1O,2659,1,284.06
+CN(C)c1ccc(N=Nc2cccc(CCl)c2)cc1,2660,1,273.1
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+Nc1[nH]cnc2nc(-c3ccc([N+](=O)[O-])cc3)nc1-2,2662,1,256.07
+COc1cc(N=Nc2ccccc2)ccc1[N+](=O)[O-],2663,1,257.08
+COP(=S)(OC)SCn1nnc2ccccc2c1=O,2664,1,317.01
+O[C@@H]1Cc2cc3cccc4ccc5ccc1c2c5c43,2666,1,244.09
+N[C@H](Cc1ccc(N(CCCl)CCCl)cc1)C(=O)O,2667,1,304.07
+C[C@@H](O)c1ccc2ccc3cccc4ccc1c2c34,2668,1,246.1
+C=C[C@@H](OC(C)=O)c1ccc(OC)c2ccccc12,2669,1,256.11
+Cc1cccc2c1ccc1c3ccccc3ccc21,2670,1,242.11
+N[C@@H](CCC(=O)NNc1ccc(CO)cc1)C(=O)O,2671,1,267.12
+Cn1c(N=[N+]=[N-])nc2ncc(-c3ccccc3)cc21,2672,1,250.1
+Cc1cc2c3ccccc3ccc2c2ccccc12,2673,1,242.11
+Oc1cccc2c1ccc1c3ccccc3ccc21,2674,1,244.09
+Cc1cccc2c1ccc1cc3ccccc3cc12,2675,1,242.11
+Cc1cc2ccccc2c2ccc3c(c12)CCC3=O,2676,1,246.1
+Cc1ccc2c(ccc3c4ccccc4ccc23)c1,2677,1,242.11
+Cc1cc2c(c3ccc4ccccc4c13)CC[C@H]2C,2678,1,246.14
+Cc1cc2nc3ccc(N(C)C)cc3[s+]c2cc1N,2679,1,270.11
+COc1ccc(N)c2c1C(=O)c1ccccc1C2=O,2680,1,253.07
+Cc1cc2c(c3ccc4ccccc4c13)C(=O)CC2,2681,1,246.1
+c1ccc2c(c1)-c1ccc3ccccc3c1[C@H]1N[C@@H]21,2682,1,243.1
+CCCCN(C[C@@H](O)C1=CC(=[N+]=[N-])C(=O)C=C1)N=O,2683,1,264.12
+O=[N+]([O-])c1ccc2cc3c(cc2c1)C(O)C(O)C=C3,2684,1,257.07
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+COc1ccc(N=[N+]([O-])c2ccc(OC)cc2)cc1,2686,1,258.1
+Cc1cn([C@@H]2C[C@H](N=[N+]=[N-])[C@@H](CO)O2)c(=O)[nH]c1=O,2687,1,267.1
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+O=[N+]([O-])c1ccc2cc3c(cc2c1)C=CC(O)C3O,2689,1,257.07
+COc1cc(N[C@H](C)CCCN)c2ncccc2c1,2690,1,259.17
+CC(=O)N[C@@H](CS/C(Cl)=C(\Cl)C(Cl)=C(Cl)Cl)C(=O)O,2691,1,384.87
+Cc1ccc2ccc3c4ccccc4ccc3c2c1,2692,1,242.11
+C[C@@H](O)c1cc2ccc3cccc4ccc(c1)c2c34,2694,1,246.1
+COc1ccc2c(OC)c3c(nc2c1OC)OCC3,2695,1,261.1
+OC1C=Cc2c(ccc3c4c(ccc23)CCC4)C1O,2696,1,252.12
+CNc1ccc(N=Nc2ccc3ncsc3c2)cc1,2697,1,268.08
+CN(C)c1ccc(N=Nc2ccc(C=O)cc2)cc1,2698,1,253.12
+CC(=O)/N=c1\sn(C(C)=O)c2ccc([N+](=O)[O-])cc12,2699,1,279.03
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+Oc1ccc2c(ccc3c4ccccc4ccc23)c1,2702,1,244.09
+O=[N+]([O-])c1ccc(/C=N/c2snc3ccccc23)o1,2703,1,273.02
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+CC(=O)Nc1nc(/C=C\c2ccc([N+](=O)[O-])o2)cs1,2709,1,279.03
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+NC(Cc1ccc(N(CCCl)CCCl)cc1)C(=O)O,2713,1,304.07
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+COc1cc(NC(C)CCCN)c2ncccc2c1,2715,1,259.17
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+O=C(/C=C/c1ccc(O)cc1)c1ccc(O)cc1O,2719,1,256.07
+Nc1ncnc2nc(-c3ccc([N+](=O)[O-])cc3)[nH]c12,2720,1,256.07
+Cc1cn([C@H]2C[C@H](N=[N+]=[N-])[C@@H](CO)O2)c(=O)[nH]c1=O,2721,1,267.1
+O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1COO,2723,1,274.08
+CC(=O)Nc1ccc(Oc2ccc(Cl)cc2Cl)cc1,2724,1,295.02
+O[C@@H]1C=Cc2c(ccc3c2sc2ccccc23)[C@H]1O,2725,1,268.06
+Nc1nc(-c2ccc([N+](=O)[O-])cc2)nc2nc[nH]c12,2726,1,256.07
+O=[N+]([O-])c1ccc2cc3c(cc2c1)C=C[C@@H](O)[C@@H]3O,2727,1,257.07
+Cn1c(N=[N+]=[N-])nc2ncc(-c3ccccc3)cc21,2728,1,250.1
+O[C@H]1C=Cc2c(ccc3c4c(ccc23)CCC4)[C@@H]1O,2729,1,252.12
+O=CN(O)c1ccc(Oc2ccc(Cl)cc2Cl)cc1,2730,1,297.0
+Cc1ccc2[nH]c3c(C)cc([N+](=O)[O-])c(C)c3c2c1,2731,1,254.11
+NNc1nnc(NN)c2ccccc12,2732,1,288.06
+N#[N+]c1cccc2c1C(=O)c1ccccc1C2=O,2733,1,270.02
+CC1CS(=O)(=O)CCN1/N=C/c1ccc([N+](=O)[O-])o1,2734,1,287.06
+NC(CCC(=O)NNc1ccc(CO)cc1)C(=O)O,2735,1,267.12
+CN(C)CCN(Cc1cccs1)c1ccccn1,2736,1,297.11
+OC[C@H]1O[C@@H](n2cnc3c(=S)nc[nH]c32)[C@H](O)[C@@H]1O,2738,1,284.06
+O=C1C=Cc2ccccc2/C1=N/Nc1ccccc1,2739,1,248.09
+COc1ccc(/N=N/c2ccc(N(C)C)cc2)cc1,2741,1,255.14
+COc1ccc([C@@H]2O[C@H]2C(=O)c2ccccc2)cc1,2744,1,254.09
+CN(C)c1ccc(/N=N/c2ccccc2CO)cc1,2745,1,255.14
+CN(C)c1ccc(/N=N/c2cccc(CCl)c2)cc1,2746,1,273.1
+CN(C)c1ccc(/N=N/c2ccc(C=O)cc2)cc1,2747,1,253.12
+c1ccc2c(c1)-c1c(ccc3ccccc13)C1OC21,2749,1,244.09
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+CC(=O)Nc1ccc(C(=O)[C@@H]2O[C@H]2c2ccccc2)cc1,3212,1,281.11
+OCNc1ncnc2c1ncn2C1OC(CO)C(O)C1O,3213,1,297.11
+CN(C)CCCNc1c2ccccc2nc2ccccc12,3214,1,279.17
+c1cc2ccc3cc4c(c5ccc(c1)c2c35)CC[C@H]1O[C@@H]41,3215,1,270.1
+CCc1c2c(cc3ccccc13)-c1ccccc1C1NC21,3216,1,271.14
+Oc1cc2cc3ccccc3c3ccc4cccc1c4c23,3217,1,268.09
+CN(C)c1ccc(N=Nc2ccc3ccccc3c2)cc1,3219,1,275.14
+Cc1c2c(c(C)c3ccccc13)C1NC1c1ccccc1-2,3220,1,271.14
+c1cc2c3c(c4ccc5ccccc5c4cc3c1)C1OC21,3221,1,268.09
+COc1ccccc1N=Nc1c(O)ccc2ccccc12,3222,1,278.11
+Oc1cc2c3ccccc3cc3ccc4cccc1c4c32,3223,1,268.09
+Cc1ccc(N(CC2(O)OCC(O)C(O)C2O)N=O)cc1,3224,1,298.12
+Cc1cc(O)c2c(c1O)C(=O)c1c(O)ccc(O)c1C2=O,3225,1,286.05
+Cc1cc2c(c(O)c1O)C(=O)c1c(O)cc(O)cc1C2=O,3226,1,286.05
+Oc1ccc2cc3ccc4cccc5ccc(c2c1)c3c45,3227,1,268.09
+O=NN(c1ccc(C(=O)O)cc1)C1OCC(O)C(O)C1O,3228,1,298.08
+Fc1cccc2c3c(ccc12)-c1cccc2cccc-3c12,3230,1,270.08
+CC1=CC(=O)c2[nH]c(C)c3c4ccccc4nc-3c2C1=O,3231,1,276.09
+CC(=O)Nc1ccc([C@H]2O[C@H]2C(=O)c2ccccc2)cc1,3233,1,281.11
+Oc1c2ccccc2c2ccc3cccc4ccc1c2c43,3234,1,268.09
+Fc1ccc2c3c(cccc13)-c1ccc3ccccc3c1-2,3235,1,270.08
+CCOC(=O)C(C)(C#N)c1snc2ccc([N+](=O)[O-])cc12,3236,1,305.05
+Cc1c2c(cc3ccccc13)-c1ccccc1C(O)C2O,3237,1,276.12
+C1=C[C@H]2O[C@H]2c2c1cc1ccc3cccc4ccc2c1c34,3238,1,268.09
+OC1c2ccc3c(ccc4ccccc43)c2C2OC2C1O,3239,1,278.09
+CCC(=O)/N=c1\sn(C(=O)CC)c2ccc([N+](=O)[O-])cc12,3240,1,307.06
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+CS(=O)(=O)OCCc1ccc(OCc2ccccc2)cc1,3242,1,306.09
+O=C(O)c1cc(N=Nc2ccc([N+](=O)[O-])cc2)ccc1O,3243,1,287.05
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+COc1c(O)cc2c3c1-c1ccccc1CC3N(C)CC2,3245,1,281.14
+c1ccc2c3c4c(ccc5cccc(c54)[C@H]4O[C@@H]34)cc2c1,3246,1,268.09
+COc1cc2c3c(cc(C)c2c2ccccc12)C(=O)CC3,3247,1,276.12
+COC1=CC(=O)c2c3nc4c(c-3c[nH]c2C1=O)CCCC4,3248,1,282.1
+CC(=O)Nc1ccc2ccc3ccc(O)c4ccc1c2c34,3250,1,275.09
+Cc1ccc(N=Nc2c(O)ccc3ccccc23)c(C)c1,3253,1,276.13
+Cc1cc2ccccc2c2cc3c(cc12)C(O)C(O)C=C3,3254,1,276.12
+CN(C)c1ccc2nc3ccc(N(C)C)cc3[s+]c2c1,3256,1,319.09
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+Nc1ccc2cc3ccc(N)cc3nc2c1,3258,1,307.06
+O=[N+]([O-])c1cc2c3ccccc3ccc2c2ccccc12,3259,1,273.08
+Cc1c2ccccc2c(C)c2c1c1c(c3ccccc32)N1,3261,1,269.12
+COC1=CC(=O)c2c(ncc3c2[nH]c2ccncc23)C1=O,3262,1,279.06
+O=[N+]([O-])c1ccc2c3c1ccc1cccc(c13)[C@@H](O)[C@@H]2O,3263,1,281.07
+Cc1cccc2cc3c4c(cccc4c12)-c1ccccc1-3,3265,1,266.11
+Cc1cc2c(c3cc4ccccc4cc13)C=C[C@H](O)[C@H]2O,3266,1,276.12
+Cc1cc2ccccc2c2cc3c(cc12)[C@H](O)[C@@H](O)C=C3,3267,1,276.12
+Cc1cc2ccccc2c2cc3c(cc12)C=C[C@H](O)[C@H]3O,3268,1,276.12
+CC(=O)N(O)c1ccc(Oc2c(Cl)cc(Cl)cc2Cl)cc1,3269,1,344.97
+Fc1ccc2c3c(cccc13)-c1c-2ccc2ccccc12,3270,1,270.08
+Fc1ccc2c3c(ccc2c1)-c1cccc2cccc-3c12,3271,1,270.08
+COC1=CC(=O)c2c(ncc3c4c([nH]c23)CCCC4)C1=O,3272,1,282.1
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+Nc1cc2c3c(ccc2c2ccccc12)[C@H](O)[C@@H](O)C=C3,3274,1,277.11
+O=c1c(Cl)c(Cl)cnn1S(=O)(=O)c1ccc([N+](=O)[O-])cc1,3275,1,348.93
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+CCc1c2ccccc2cc2c1c1c(c3ccccc32)O1,3277,1,270.1
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+CN(C)c1ccc2nc3cccc(N(C)C)c3cc2c1,3281,1,301.13
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+CN(C)c1ccc(/N=N/c2cccc3ccccc23)cc1,3284,1,275.14
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+CNc1ccc(/N=N/c2ccc(N(C)C(C)=O)cc2)cc1,3293,1,282.15
+O[C@@H]1[C@H]2O[C@H]2c2c(ccc3c2ccc2ccccc23)[C@H]1O,3295,1,278.09
+O[C@H]1[C@H]2O[C@H]2c2ccc3c(ccc4ccccc43)c2[C@@H]1O,3296,1,278.09
+O[C@H]1[C@H]2O[C@H]2c2c(c3ccccc3c3ccccc23)[C@@H]1O,3297,1,278.09
+CC(=O)Nc1ccc([C@H]2O[C@@H]2C(=O)c2ccccc2)cc1,3298,1,281.11
+CC(=O)Nc1ccc(C(=O)[C@H]2O[C@@H]2c2ccccc2)cc1,3299,1,281.11
+CC(N)c1ccccc1.CC(N)c1ccccc1.[Pt+2],3301,1,507.08
+CCC(=O)/N=c1/sn(C(=O)CC)c2ccc([N+](=O)[O-])cc12,3305,1,307.06
+O=NN(c1ccc(C(=O)O)cc1)C1OC[C@@H](O)[C@@H](O)[C@@H]1O,3306,1,298.08
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+O=NN(c1ccc([N+](=O)[O-])cc1)C1OC[C@@H](O)[C@@H](O)[C@H]1O,3308,1,299.08
+O=NN(c1ccc([N+](=O)[O-])cc1)C1OC[C@H](O)[C@H](O)[C@H]1O,3309,1,299.08
+O=NN(c1ccc([N+](=O)[O-])cc1)C1OC[C@@H](O)[C@H](O)[C@H]1O,3310,1,299.08
+O=NN(c1ccc([N+](=O)[O-])cc1)C1OC[C@@H](O)[C@H](O)[C@@H]1O,3311,1,299.08
+O[C@H]1[C@H](O)COC(NCCc2c[nH]c3ccccc23)[C@@H]1O,3312,1,292.14
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+C1=CC2OC2c2ccc3c4c5c(cccc5cc3c21)C=C4,3314,1,268.09
+O[C@H]1C=Cc2c(ccc3c(Cl)c4ccccc4cc23)[C@@H]1O,3315,1,296.06
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+CCCCON(OC(C)=O)C(=O)c1cccc([N+](=O)[O-])c1,3318,1,296.1
+CCOC(=O)C(C)(C#N)C1SNc2ccc([N+](=O)[O-])cc21,3319,1,307.06
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+OC1C=Cc2c(cc3ccc4cccc5ccc2c3c45)C1,3324,1,270.1
+COc1ccc2oc([N+](=O)[O-])cc2c1N(CCCl)CCCl,3325,1,332.03
+C=CC(=O)OCC(CC)(COC(=O)C=C)COC(=O)C=C,3326,1,296.13
+Cc1ccc2cc3c(ccc4ccccc43)c3c2c1CC3,3327,1,268.13
+O=[N+]([O-])c1ccc(-c2ccccc2[N+](=O)[O-])c([N+](=O)[O-])c1,3328,1,289.03
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+c1ccc2c(c1)Cc1c-2ccc2ccc3ccccc3c12,3347,1,266.11
+COCc1c(O)cc2c(c1O)C(=O)c1ccccc1C2=O,3348,1,284.07
+O=[N+]([O-])c1cccc(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1,3350,1,289.03
+COc1c(CO)c(O)cc2c1C(=O)c1ccccc1C2=O,3351,1,284.07
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+CC(=O)Nc1ccc(Oc2ccc(N(O)C=O)cc2)cc1,3354,1,286.1
+CCC(=O)C1c2cccc(O)c2C(=O)c2c(O)cccc21,3355,1,282.09
+Cc1cc2cccc3ccc4c5ccccc5cc1c4c32,3356,1,266.11
+CC(=O)Nc1ccc2ccc3c(O)ccc4ccc1c2c43,3357,1,275.09
+O=[N+]([O-])c1ccc2c(c1)CCc1cc3c(cc1-2)CCCC3,3358,1,279.13
+Cc1cccc2c1cc1ccc3cccc4ccc2c1c34,3359,1,266.11
+COc1cc(O)c2c(c1)C(=O)c1cc(C)cc(O)c1C2=O,3361,1,284.07
+O=Nc1ccc2ccc3ccc([N+](=O)[O-])c4ccc1c2c34,3362,1,276.05
+O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,3363,1,286.05
+Cc1c(C)c2c(Cl)c3ccccc3nc2c2ccccc12,3364,1,291.08
+Cc1c2ccccc2c2ccc3cccc4ccc1c2c43,3365,1,266.11
+CC(=O)Nc1ccc2c(c1)Cc1cc(NC(C)=O)ccc1-2,3366,1,280.12
+Cc1cc2cc3ccccc3c3ccc4cccc1c4c23,3367,1,266.11
+OC1c2c(ccc3c2ccc2ccccc23)C2OC2C1O,3368,1,278.09
+CC(=O)ON(OCc1ccccc1)C(=O)c1ccccc1,3369,1,285.1
+Fc1cccc2cc3c(cc12)-c1cccc2cccc-3c12,3370,1,270.08
+Fc1ccc2c3c(cccc13)-c1cc3ccccc3cc1-2,3371,1,270.08
+CCSc1cc(Cc2ccc(N)c(SCC)c2)ccc1N,3372,1,318.12
+Cc1ccc2c(c1)cc1ccc3cccc4ccc2c1c34,3373,1,266.11
+O=c1c(=O)c2c([N+](=O)[O-])ccc3ccc4cccc1c4c32,3374,1,277.04
+Cc1cc([N+](=O)[O-])c(C)c2c1[nH]c1ccc([N+](=O)[O-])cc12,3375,1,285.07
+Oc1ccc2ccc3c4c(ccc3c2c1)[C@@H](O)[C@H](O)C=C4,3376,1,278.09
+O=[N+]([O-])c1cc([N+](=O)[O-])c(-c2ccccc2)c([N+](=O)[O-])c1,3377,1,289.03
+CC(=O)OCc1ccc2ccc3cccc4ccc1c2c34,3378,1,274.1
+Cc1cc2c(c3ccc4c(c13)C1OC1C(O)C4O)CCC2,3379,1,282.13
+Cc1ccc2cc3ccc4cccc5ccc(c2c1)c3c45,3380,1,266.11
+Cc1ccc(S(=O)(=O)OCc2ccc([N+](=O)[O-])cc2)cc1,3381,1,307.05
+O=C1c2ccccc2C(=O)C1c1ccc2ccccc2n1,3382,1,273.08
+CCc1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O,3383,1,281.07
+Cc1cc2ccccc2c2ccc3c(c12)C=CC(=O)C3=O,3384,1,272.08
+Cc1c2ccccc2c(CBr)c2c1ccc1ccccc12,3385,1,334.04
+Cc1c2c(c(C)c3ccccc13)C1OC1c1ccccc1-2,3386,1,272.12
+O=[N+]([O-])c1ccc(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1,3387,1,289.03
+Cc1c2ccccc2c(CO)c2ccc3ccccc3c12,3388,1,272.12
+CC(=O)Nc1ccc2c3c(cccc13)-c1ccc(O)cc1-2,3389,1,275.09
+Cc1c2cc(CO)ccc2nc2c1ccc1ccccc12,3390,1,273.12
+Cc1cc2ccc3cc4ccccc4c4ccc(c1)c2c34,3391,1,266.11
+Cc1cc2cccc3ccc4cc5ccccc5c1c4c32,3392,1,266.11
+CC(=O)Nc1ccc2c3c(cccc13)-c1cc(O)ccc1-2,3393,1,275.09
+O=[N+]([O-])c1ccc2c(ccc3c4ccccc4ccc23)c1,3394,1,273.08
+Nc1ccc(Cc2ccc(N)cc2[N+](=O)[O-])c([N+](=O)[O-])c1,3395,1,288.09
+c1ccc2c(c1)cc1c3c2ccc2cccc(c23)C2OC12,3396,1,268.09
+O=[N+]([O-])c1ccc2c(c1)CCc1c-2ccc2c1CCCC2,3397,1,279.13
+O=c1c(=O)c2ccc([N+](=O)[O-])c3ccc4cccc1c4c32,3398,1,277.04
+Nc1ccc2ccc3c4ccccc4cc4ccc1c2c43,3399,1,267.1
+Nc1ccc(N)c2c1C(=O)c1cccc([N+](=O)[O-])c1C2=O,3400,1,283.06
+Cc1cc(O)c2c(c1)C(=O)c1c(O)c(O)cc(O)c1C2=O,3401,1,286.05
+CC(=O)ON(C(C)=O)c1ccc2c(c1)Cc1ccccc1-2,3402,1,281.11
+CCCCON(OC(C)=O)C(=O)c1ccc([N+](=O)[O-])cc1,3403,1,296.1
+Cc1c(C)c2c(N)c3ccccc3nc2c2ccccc12,3404,1,272.13
+Cc1ccc2nc3c(ccc4ccccc43)c(CO)c2c1,3405,1,273.12
+Cc1cc2c3c(cccc3c1)-c1cc3ccccc3cc1-2,3406,1,266.11
+CC(C)(C)NCC(O)COc1ccccc1C1CCCC1,3407,1,291.22
+O=C1c2ccccc2-c2c3c(cc4ccnc1c24)OCO3,3408,1,275.06
+O=c1oc2cccc3ccc4c5ccccc5cc1c4c32,3409,1,270.07
+CC(=O)Nc1cc(O)c2ccc3cccc4ccc1c2c34,3410,1,275.09
+O=C1c2cc(O)cc(O)c2C(=O)c2c(O)cc(CO)cc21,3411,1,286.05
+c1ccc2c(c1)cc1c3c2ccc2cccc(c23)C2NC12,3412,1,267.1
+Cc1c2ccccc2cc2ccc3c(c12)C=CC(=O)C3=O,3413,1,272.08
+Cc1c2ccccc2cc2c3c(ccc12)C(=O)C(=O)C=C3,3414,1,272.08
+O=[N+]([O-])c1cccc2c1ncc1cnc3ccccc3c12,3415,1,275.07
+O=S1(=O)c2cccc3ccc4c5ccccc5cc1c4c23,3418,1,290.04
+OC1CC=Cc2c1cc1ccc3cccc4ccc2c1c34,3419,1,270.1
+Cc1ccc2ccc3cc4ccccc4c4ccc1c2c34,3420,1,266.11
+O=[N+]([O-])C1=Cc2ccc3ccc4cccc5cc1c2c3c45,3421,1,271.06
+O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1cc(Cl)ccc1O,3422,1,325.99
+COc1ccc(N(CCCl)CCCl)c2oc([N+](=O)[O-])cc12,3423,1,332.03
+Cc1cc(C)c2nc3c(ccc4ccccc43)c(C)c2c1,3424,1,271.14
+Nc1ccc2ccc3cc4ccccc4c4ccc1c2c34,3425,1,267.1
+Cc1cccc2cc3ccc4cccc5ccc(c12)c3c45,3426,1,266.11
+Cc1c2ccc(CO)cc2nc2c1ccc1ccccc12,3427,1,273.12
+Oc1cccc2c1ccc1c3c4c(cccc4cc12)C=C3,3428,1,268.09
+Nc1ccc2ccccc2c1N=Nc1ccc([N+](=O)[O-])cc1,3429,1,292.1
+C1=Cc2ccc3nc4ccc5ccccc5c4cc3c2CC1,3430,1,281.12
+O[C@H]1C=Cc2c(ccc3c2-c2cccc4cccc-3c24)[C@@H]1O,3431,1,286.1
+Cc1c2ccccc2cc2c3c(ccc12)C(O)C(O)C1OC31,3432,1,292.11
+CCCCCCCCON(OC(C)=O)C(=O)c1ccccc1,3434,1,307.18
+Cc1cc2c(O)cccc2c2cc3c(cc12)C=CC(O)C3O,3436,1,292.11
+CN1CC(O)c2cc3c(c4c2C1Cc1ccccc1-4)OCO3,3437,1,295.12
+N=C1C=CC(=C(c2ccc(N)cc2)c2ccc(N)cc2)C=C1,3438,1,287.14
+Cc1ccc2cc3c(ccc4ccccc43)c3c2c1C[C@@H]3O,3439,1,284.12
+CCN(CC)c1ccc(N=Nc2ccc([N+](=O)[O-])cc2)cc1,3440,1,298.14
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+c1ccc2c3c(ccc2c1)Cc1c(ccc2ccccc12)C3,3442,1,280.13
+Cc1ccc2nc3c4c(ccc3c(C)c2c1)C(O)C(O)C=C4,3444,1,291.13
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+c1cc2c3c(c1)cc1ccc4cccc5cc(c3c1c45)CC2,3446,1,278.11
+CCN(CC)CCC[C@@H](C)Nc1ccnc2cc(Cl)ccc12,3447,1,319.18
+O[C@H]1C=C2c3cc4ccccc4cc3-c3cccc(c32)[C@@H]1O,3449,1,286.1
+N#C/C(=C\C=C\c1ccccc1[N+](=O)[O-])c1ccc(Br)cc1,3450,1,354.0
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+CC(=O)Nc1nc(NC(C)=O)nc(-c2ccc([N+](=O)[O-])o2)n1,3455,1,306.07
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+O=[N+]([O-])c1c(Cl)c(Cl)c2c(c1Cl)Oc1ccc(Cl)c(Cl)c1O2,3458,1,398.84
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+c1ccc2c(c1)ccc1nc3ccc4c(c3cc12)CCCC4,3463,1,283.14
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+CC(=O)Nc1ccc(/C=N/n2nnc3ccnc-3c2O)cc1,3465,1,296.1
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+Oc1ccc2ccc3c4c(ccc3c2c1)C(O)C(O)C1OC41,3468,1,294.09
+ClCCNCCCNc1c2ccccc2nc2ccccc12,3470,1,313.13
+c1cc2cc3c4c(ccc5cc6c(c1CCC6)c2c54)CCC3,3472,1,282.14
+CC(=O)OCc1ccc(N=Nc2ccc(N(C)C)cc2)cc1,3473,1,297.15
+c1ccc2c(c1)ccc1c2ccc2ccc3ccccc3c21,3474,1,278.11
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+COc1cc2c(c(O)c1O)C(=O)c1c(O)cc(C)cc1C2=O,3477,1,300.06
+O[C@H]1C=C2c3ccc4ccccc4c3-c3cccc(c32)[C@@H]1O,3478,1,286.1
+CN1CCc2cc3c(c4c2C1C(O)c1ccccc1-4)OCO3,3479,1,295.12
+OCCNc1ccc(N=Nc2ccc(NCCO)cc2)cc1,3480,1,300.16
+COC(=O)Nc1nc2cc(C(=O)c3ccccc3)ccc2[nH]1,3482,1,295.1
+O[C@H]1C=Cc2cc3c(cc2[C@@H]1O)-c1cccc2cccc-3c12,3483,1,286.1
+Cc1cc2ccccc2c2ccc3c(c12)C1OC1C(O)C3O,3484,1,292.11
+O=S(=O)(O)OCc1ccc2ccc3cccc4ccc1c2c34,3485,1,312.05
+COc1cc(CNC(=O)CCCCCCC(C)C)ccc1O,3486,1,307.21
+OC1C=Cc2c(cc3ccc4cccc5ccc2c3c45)C1O,3487,1,286.1
+COC1=CC(=O)c2[nH]c(C)c3c4ccccc4nc-3c2C1=O,3488,1,292.08
+CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OCC,3489,1,306.26
+OCc1c2ccccc2c(CO)c2c1ccc1ccccc12,3490,1,288.12
+Nc1ccc2ccccc2c1/N=N/c1ccc([N+](=O)[O-])cc1,3493,1,292.1
+CN1CCc2cc3c(c4c2[C@H]1[C@H](O)c1ccccc1-4)OCO3,3494,1,295.12
+Nc1ccc(Oc2ccc(Oc3ccc(N)cc3)cc2)cc1,3495,1,292.12
+CC(=O)CC(C)=O.CC(=O)CC(C)=O.CC(=O)CC(C)=O,3496,1,327.14
+NC(CCC(=O)NC(CSN=O)C(=O)NCC(=O)O)C(=O)O,3497,1,336.07
+COC1=CC(=O)c2c(nc(C)c3c2[nH]c2ccncc23)C1=O,3498,1,293.08
+COC1=CC(=O)c2nc(C)c3c([nH]c4ccccc43)c2C1=O,3500,1,292.08
+O=S(=O)(Oc1ccc(Cl)cc1Cl)c1cccc2cccnc12,3501,1,352.97
+CCN(CC)c1ccc(/N=N/c2ccc([N+](=O)[O-])cc2)cc1,3504,1,298.14
+CN1C[C@@H](O)c2cc3c(c4c2[C@H]1Cc1ccccc1-4)OCO3,3506,1,295.12
+COC(=O)Nc1nc2ccc(C(=O)c3ccccc3)cc2[nH]1,3507,1,295.1
+CC(=O)N(C)c1ccc(/N=N/c2ccc(N(C)C)cc2)cc1,3508,1,296.16
+O[C@H]1C=Cc2cc3ccc4cccc5ccc(c2[C@@H]1O)c3c45,3509,1,286.1
+O[C@@H]1c2c(cc3ccc4cccc5ccc2c3c45)C=C[C@@H]1O,3510,1,286.1
+Cc1c2ccccc2cc2c3c(ccc12)C(O)C(O)[C@@H]1O[C@@H]31,3511,1,292.11
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+Cc1cc2ccccc2c2ccc3c(c12)[C@H]1O[C@H]1[C@@H](O)[C@H]3O,3516,1,292.11
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+OC1C=Cc2c(ccc3c2-c2cccc4cccc-3c24)C1O,3521,1,286.1
+O=[N+]([O-])c1c(Cl)c(Cl)c2c(c1Cl)Oc1cc(Cl)c(Cl)cc1O2,3522,1,398.84
+Oc1ccc2ccc3c4c(ccc3c2c1)[C@@H](O)[C@H](O)[C@H]1O[C@@H]41,3525,1,294.09
+Cc1cc2ccccc2c2ccc3c(c12)[C@H]1O[C@H]1[C@@H](O)[C@@H]3O,3526,1,292.11
+Cc1cc2ccccc2c2ccc3c(c12)[C@@H]1O[C@@H]1[C@H](O)[C@H]3O,3527,1,292.11
+Cc1cc2c(c3ccc4ccccc4c13)[C@@H]1O[C@@H]1[C@H](O)[C@H]2O,3528,1,292.11
+OC1C=C2c3cc4ccccc4cc3-c3cccc(c32)C1O,3529,1,286.1
+OCCNc1ccc(/N=N/c2ccc(NCCO)cc2)cc1,3531,1,300.16
+CC(=O)OCCCCCCCCONC(=O)c1ccccc1,3532,1,307.18
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+N#C/C(=C/C=C/c1ccccc1[N+](=O)[O-])c1ccc(Br)cc1,3534,1,354.0
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+Cc1ccc2nc3c4c(ccc3c(C)c2c1)[C@H](O)[C@@H](O)C=C4,3538,1,291.13
+CC1=Cc2nc3c(ccc4ccccc43)c(C)c2[C@H](O)[C@H]1O,3539,1,291.13
+Cc1ccc2c(C)c3ccc4c(c3nc2c1)C=C[C@H](O)[C@H]4O,3540,1,291.13
+O=[N+]([O-])c1ccc(/C=N/C2SNc3c(Cl)cc(Cl)cc32)cc1,3541,1,352.98
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+CC(=O)ON(OCc1ccc(Br)cc1)C(=O)c1ccccc1,3543,1,363.01
+CCCCON(OC(C)=O)C(=O)c1ccc(C(C)(C)C)cc1,3544,1,307.18
+c1ccc2nc3c4ccccc4c4ccccc4c3cc2c1,3545,1,279.1
+Oc1ccc2ccc3[nH]c4ccc5ccccc5c4c3c2c1,3546,1,283.1
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+CC(=O)OC1Cc2ccc3ccc4cccc5cc1c2c3c45,3548,1,286.1
+O=[N+]([O-])c1cccc2c1-c1cccc3c([N+](=O)[O-])ccc-2c13,3549,1,292.05
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+O=[N+]([O-])c1ccc2ccc3ccc([N+](=O)[O-])c4ccc1c2c34,3551,1,292.05
+O=C1c2ccc3ccccc3c2-c2c1ccc1ccccc21,3552,1,280.09
+O=[N+]([O-])c1cc2c(cc3ccc4cccc5ccc2c3c45)o1,3554,1,287.06
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+CCOCc1c(O)cc2c(c1O)C(=O)c1ccccc1C2=O,3558,1,298.08
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+BrCc1c2ccccc2c2ccc3cccc4ccc1c2c43,3565,1,344.02
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+COc1cccc2c1cc1c3c(cc4c(c32)OCO4)C(=O)N1,3567,1,293.07
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+OCc1ccc2nc3c(ccc4ccccc43)c(CO)c2c1,3572,1,289.11
+COc1cc2ccnc3c2c(c1OC)-c1ccccc1C3=O,3573,1,291.09
+CCCCON(OC(C)=O)C(=O)c1ccc2ccccc2c1,3574,1,301.13
+O=c1ccc2c(cc3ccc4cccc5ccc2c3c45)c1=O,3575,1,282.07
+Cc1cc2c(nc(N)n2C)c2nc(-c3ccccc3)cnc12,3576,1,289.13
+Cc1ccc2cc3c(c4c2c1CC4)C1OC1c1ccccc1-3,3578,1,284.12
+c1ccc2c(c1)ccc1cc3c(ccc4ccncc43)cc12,3580,1,279.1
+O=[N+]([O-])c1ccc2ccc3c([N+](=O)[O-])ccc4ccc1c2c43,3581,1,292.05
+O=[N+]([O-])c1cc2ccc3cc([N+](=O)[O-])cc4ccc(c1)c2c34,3582,1,292.05
+O[C@H]1C=Cc2c(ccc3c4c5c(cccc5cc23)C=C4)[C@@H]1O,3583,1,286.1
+ClCc1cccc2cc3ccc4cccc5ccc(c12)c3c45,3584,1,300.07
+COc1ccc2nc3c(cc2c1)-c1cccc2cccc-3c12,3585,1,283.1
+ClCc1cc2cccc3ccc4cc5ccccc5c1c4c32,3586,1,300.07
+COC1=CC(=O)c2c(nc(C)c3c2[nH]c2ccccc23)C1=O,3587,1,292.08
+O=Nc1ccc2ccc3c4c(cc5ccc1c2c53)CCCC4,3588,1,285.12
+O=Nc1ccc2ccc3cc4ccccc4c4ccc1c2c34,3589,1,281.08
+CC(=O)Nc1ccc2c(=O)c(=O)c3cccc4ccc1c2c43,3590,1,289.07
+CN(C)CCNC(=O)c1cccc2c1ncc1ccccc12,3591,1,293.15
+C1=Cc2cc3cccc4c5ccccc5c5ccc1c2c5c34,3592,1,276.09
+CCCC(=O)C1c2cccc(O)c2C(=O)c2c(O)cccc21,3593,1,296.1
+O=[N+]([O-])c1cc2cccc3c2c(c1[N+](=O)[O-])-c1ccccc1-3,3594,1,292.05
+C1=Cc2c3ccc4cccc5ccc(c6cccc1c26)c3c45,3595,1,276.09
+c1ccc2c(c1)ccc1cc3ccc4ccccc4c3nc12,3596,1,279.1
+Nc1ccc(Nc2c3ccccc3nc3ccccc23)cc1,3597,1,285.13
+Cc1c2c(c(C)c3ccccc13)-c1cccc3cccc-2c13,3598,1,280.13
+c1ccc2c(c1)ccc1cc3c(ccc4ccccc43)cc12,3599,1,278.11
+c1ccc2c(c1)ccc1nc3ccc4ccccc4c3cc12,3600,1,279.1
+c1cc2ccc3cc4cccc5ccc6cc(c1)c2c3c6c54,3601,1,276.09
+c1ccc2c(c1)ccc1nc3c(ccc4ccccc43)cc12,3602,1,279.1
+CNc1ccc(NCCO)c2c1C(=O)c1ccccc1C2=O,3603,1,296.12
+O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,3604,1,302.04
+c1ccc2c(c1)-c1ccc3ccc4cccc5cc-2c1c3c45,3605,1,276.09
+Cn1c2ccc3ccccc3c2c2c3ccccc3ccc21,3606,1,281.12
+O=[N+]([O-])c1cc2cc3ccc4cccc5ccc(c2o1)c3c45,3607,1,287.06
+O=C1C=C2c3cc4ccccc4cc3-c3cccc(c32)C1=O,3608,1,282.07
+O=C(CCNNC(=O)c1ccncc1)NCc1ccccc1,3609,1,298.14
+CC(=O)ON(OCc1ccc(Cl)cc1)C(=O)c1ccccc1,3610,1,319.06
+c1cc2ccc3ccc4ccc5cccc6c(c1)c2c3c4c56,3611,1,276.09
+COc1cc(O)c2c(c1)C(=O)c1c(O)c(C)cc(O)c1C2=O,3612,1,300.06
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+COc1cc(O)c2c(O)c3c(=O)oc(C)cc3c(OC)c2c1,3614,1,302.08
+O=[N+]([O-])c1cc2c3c(ccc4cc([N+](=O)[O-])cc(c43)CC2)c1,3615,1,294.06
+O=C(CC(O)(CC(=O)OCCBr)C(=O)OCCBr)OCCBr,3616,1,509.85
+CN(C)CCNC(=O)c1cc2ccccc2c2cccnc12,3617,1,293.15
+O=[N+]([O-])c1cc([N+](=O)[O-])c2c([N+](=O)[O-])cc([N+](=O)[O-])cc2c1,3618,1,308.0
+O=[N+]([O-])c1ccc2c3c(ccc([N+](=O)[O-])c13)-c1ccccc1-2,3619,1,292.05
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+O=Nc1ccc2ccc3c4ccccc4cc4ccc1c2c43,3621,1,281.08
+CC(=O)Nc1ccc(Oc2ccc(N(O)C(C)=O)cc2)cc1,3622,1,300.11
+O=[N+]([O-])c1cc2c3c(c1)CCc1cc([N+](=O)[O-])cc(c1-3)CC2,3623,1,296.08
+O=[N+]([O-])c1cc([N+](=O)[O-])c2ccc3cccc4ccc1c2c43,3624,1,292.05
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+O=C1CCc2c1cc(C(F)(F)F)c1c2ccc2ccccc21,3629,1,300.08
+O=C(Nc1ccc2c(c1)Cc1ccccc1-2)c1ccccc1,3630,1,285.12
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+Nc1ncnc2c1ncn2-c1ccc([N+](=O)[O-])cc1[N+](=O)[O-],3632,1,301.06
+CN(C)CCNC(=O)c1cccc2cc3ccccc3nc12,3633,1,293.15
+ClCc1cc2cc3ccccc3c3ccc4cccc1c4c23,3634,1,300.07
+COC(=O)c1cc(-c2ccc(N)c(C(=O)OC)c2)ccc1N,3635,1,300.11
+Oc1ccc(Nc2c3ccccc3nc3ccccc23)cc1,3636,1,286.11
+O=[N+]([O-])c1cc([N+](=O)[O-])c2cccc3c2c1-c1ccccc1-3,3637,1,292.05
+COc1cccc2c1ccc1c(C(=O)O)cc3c(c12)OCO3,3638,1,296.07
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+c1ccc2c(c1)ccc1cc3ccc4ccncc4c3cc12,3640,1,279.1
+CC/C=C/C=C/C=C/C=C/C=C/OCC(O)c1ccccc1,3641,1,296.18
+O=[N+]([O-])c1cc([N+](=O)[O-])c2[nH]c3cnc([N+](=O)[O-])cc3c2c1,3642,1,303.02
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+COc1ccc(OC)c(N=Nc2c(O)ccc3ccccc23)c1,3652,1,308.12
+O=c1c2c(O)cccc2oc2c3c(cc(O)c12)O[C@@H]1OC=C[C@@H]31,3653,1,310.05
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+O=C(O)CSc1ccc2c3c(cccc13)C(=O)c1ccccc1-2,3655,1,320.05
+O=[N+]([O-])c1c2ccccc2cc2c3c(ccc12)C(O)C(O)C=C3,3656,1,307.08
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+O=[N+]([O-])c1ccc2c3ccccc3c3cccc4ccc1c2c43,3663,1,297.08
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+O=[N+]([O-])c1c2c(cc3c1ccc1ccccc13)C=CC(O)C2O,3666,1,307.08
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+O=[N+]([O-])c1ccc2nc3c(cc2c1)-c1cccc2cccc-3c12,3672,1,298.07
+O=[N+]([O-])C1=Cc2cccc3c2c1cc1cc2ccccc2cc13,3673,1,297.08
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+O=[N+]([O-])c1cc2c(ccc3ccccc32)c2c1C=C[C@@H](O)[C@@H]2O,3675,1,307.08
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+O[C@@H]1[C@@H]2O[C@@H]2c2c(ccc3c2-c2cccc4cccc-3c24)[C@H]1O,3677,1,302.09
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+Oc1ccc(/C=N/n2nnc3c4ccccc4nc-3c2O)cc1,3681,1,305.09
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+O[C@@H]1[C@H]2O[C@H]2c2cc3ccc4cccc5ccc(c2[C@@H]1O)c3c45,3690,1,302.09
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+CCN(CC)CCC[C@@H](C)Nc1cc(OC)cc2cccnc12,3692,1,315.23
+CC(=O)Nc1ccc(Cc2ccc(NC(C)=O)c(Cl)c2)cc1Cl,3693,1,350.06
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+O=[N+]([O-])c1ccc(N=Nc2c(O)ccc3ccccc23)c(Cl)c1,3704,1,327.04
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+O=[N+]([O-])c1cc2c3c(ccc2c2ccccc12)[C@@H](O)[C@H](O)C=C3,3707,1,307.08
+Cc1ccc2cc3c4c(ccc3c3c2c1CC3)C=C[C@@H](O)[C@H]4O,3708,1,302.13
+O[C@H]1[C@H]2O[C@]23c2ccc4ccccc4c2-c2cccc(c23)[C@@H]1O,3709,1,302.09
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+O=[N+]([O-])c1c2ccccc2cc2c3c(ccc12)[C@@H](O)[C@H](O)C=C3,3716,1,307.08
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+O=[N+]([O-])C1=Cc2c3ccccc3cc3c2c1cc1ccccc13,3719,1,297.08
+O=[N+]([O-])C1=Cc2cccc3c2c1cc1ccc2ccccc2c13,3720,1,297.08
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+O=[N+]([O-])c1ccccc1OS(=O)(=O)c1cccc2cccnc12,3722,1,330.03
+O=[N+]([O-])c1cccc(OS(=O)(=O)c2cccc3cccnc23)c1,3723,1,330.03
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+CCN(CC)CCCC(C)Nc1cc(OC)cc2cccnc12,3728,1,315.23
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+Oc1cccc2cccnc12.Oc1cccc2cccnc12.[Cu+2],3735,1,353.03
+CN(C)CCCNc1c2ccccc2nc2ccccc12,3736,1,349.11
+O=c1c2c(O)cccc2oc2c3c(cc(O)c12)O[C@H]1OC=C[C@@H]31,3738,1,310.05
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+O=[N+]([O-])c1c2c(cc3c1ccc1ccccc13)C=C[C@@H](O)[C@@H]2O,3744,1,307.08
+O=[N+]([O-])c1cc2c3c(ccc2c2ccccc12)[C@H](O)[C@@H](O)C=C3,3745,1,307.08
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+O=[N+]([O-])c1cc2c(ccc3cc(N(CCCl)CCCl)ccc32)o1,3777,1,352.04
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+O=[N+]([O-])c1ccc2ccc3cc4c(c5ccc1c2c35)CCC=C4,3791,1,299.09
+O=[N+]([O-])c1cc2c3c(c1)CCc1c4c(cc(c1-3)CC2)CCCC4,3792,1,305.14
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+O=[N+]([O-])c1ccc2ccc3c4c(cc5ccc1c2c53)CCC=C4,3804,1,299.09
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+O=[N+]([O-])c1ccc2c(c1)c([N+](=O)[O-])cc1cccc([N+](=O)[O-])c12,3812,1,313.03
+O=[N+]([O-])c1ccc2c3cccc4cccc(c5cccc1c52)c43,3813,1,297.08
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+O=[N+]([O-])c1c2c(c3ccc4cccc5ccc1c3c45)CCC=C2,3815,1,299.09
+O=[N+]([O-])c1cccc2c1c([N+](=O)[O-])cc1cccc([N+](=O)[O-])c12,3816,1,313.03
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+O=[N+]([O-])c1ccc2cc([N+](=O)[O-])c3ccc([N+](=O)[O-])cc3c2c1,3818,1,313.03
+O=[N+]([O-])c1cc2cccc3c4ccccc4c4cccc1c4c23,3819,1,297.08
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+CN(C)CCNC(=O)c1cccn2cc(-c3ccccc3)nc12,3822,1,308.16
+O=[N+]([O-])c1c2c3c(ccc4cccc(c43)CC2)c2ccccc12,3823,1,299.09
+O=[N+]([O-])c1ccc2ccc3cc4c(c5ccc1c2c35)CCCC4,3824,1,301.11
+O=[N+]([O-])c1ccc2c([N+](=O)[O-])cc3cccc([N+](=O)[O-])c3c2c1,3825,1,313.03
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+O=[N+]([O-])c1cccc2c1cc([N+](=O)[O-])c1cccc([N+](=O)[O-])c12,3833,1,313.03
+O=[N+]([O-])c1ccc2ccc3c4ccccc4cc4ccc1c2c43,3834,1,297.08
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+O=[N+]([O-])c1ccc2ccc3cc4c(c5ccc1c2c35)C=CCC4,3837,1,299.09
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+C1=COc2c(c3ccccc3c3cc4ccccc4cc23)C=C1,3847,1,294.1
+O=[N+]([O-])c1ccc2ccc3c4c(cc5ccc1c2c53)CCCC4,3848,1,301.11
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+O=[N+]([O-])c1c2ccccc2c2ccc3cccc4ccc1c2c43,3862,1,297.08
+Cc1nc2c(c3[nH]c4ccccc4c13)C(=O)C=C(N1CC1)C2=O,3863,1,303.1
+COc1ccc2c(c1)C(=O)c1nccc3cc4c(c-2c13)OCO4,3864,1,305.07
+O=[N+]([O-])C1=Cc2c3ccc4ccccc4c3cc3cccc1c23,3865,1,297.08
+OC1c2cccc3c2C2(OC2C1O)c1ccc2ccccc2c1-3,3866,1,302.09
+OC1c2ccc3c(c2C2OC2C1O)-c1cccc2cccc-3c12,3867,1,302.09
+CCN(CCCl)CCCNc1c2c(nc3ccccc13)CCCC2,3868,1,345.2
+COc1cc2c(c3oc4cccc(O)c4c(=O)c13)[C@@H]1C=CO[C@H]1O2,3869,1,324.06
+OC1C=Cc2c(c3ccccc3c3cc4ccccc4cc23)C1O,3870,1,312.12
+Cc1cc2nc3cc(C)c(N)cc3[n+](-c3ccccc3)c2cc1N,3871,1,315.16
+CCN(CC)c1ccc2nc3ccc(N(CC)CC)cc3[o+]c2c1,3872,1,324.21
+CCN(CC)c1ccc(N=Nc2ccc([N+](=O)[O-])cc2C#N)cc1,3873,1,323.14
+OC1C=Cc2c(c3cc4ccccc4cc3c3ccccc23)C1O,3874,1,312.12
+CC[n+]1c(-c2ccccc2)c2cc(N)ccc2c2ccc(N)cc21,3875,1,314.17
+OC1C=Cc2c(ccc3cc4c(ccc5ccccc54)cc23)C1O,3878,1,312.12
+OC1C=Cc2ccc3cc4c(ccc5ccccc54)cc3c2C1O,3879,1,312.12
+Nc1c2ncn(C(c3ccccc3)c3ccccc3)c2nc[n+]1[O-],3882,1,317.13
+COC(=O)Nc1nc2cc(/C(=N/O)c3ccc(F)cc3)ccc2[nH]1,3883,1,328.1
+OC1c2ccccc2-c2cc3ccc4ccccc4c3cc2C1O,3884,1,312.12
+CC(=O)Nc1ccc(NC(C)=O)c2c1C(=O)c1ccccc1C2=O,3887,1,322.1
+CC(=O)OCc1ccc(N=Nc2ccc(COC(C)=O)cc2)cc1,3888,1,326.13
+COc1cc(C(O)c2ncc([N+](=O)[O-])n2C)c(O)c(C(C)(C)C)c1,3889,1,335.15
+O=S(=O)(O)OCc1c2ccccc2cc2c1ccc1ccccc12,3890,1,338.06
+OC1C=Cc2c(ccc3nc4ccc5ccccc5c4cc23)C1O,3891,1,313.11
+CCN(CCCl)CCCNc1c2ccccc2nc2ccccc12,3892,1,341.17
+COc1cc2c(c3oc(=O)c4c(c13)CCC4=O)C1C(O2)OC2OC21,3893,1,328.06
+[N-]=[N+]=Nc1ccc(Nc2c3ccccc3nc3ccccc23)cc1,3894,1,311.12
+COc1cc2c(c3oc(=O)c4c(c13)[C@@H](O)C[C@@H]4O)[C@@H]1C=CO[C@@H]1O2,3895,1,330.07
+COC(=O)c1ccc(N=Nc2ccc(N(C)OC(C)=O)cc2)cc1,3896,1,327.12
+CN(C)c1ccc(N(C)C)c2c1C(=O)c1c(O)ccc(O)c1C2=O,3897,1,326.13
+O[C@H]1C=Cc2ccc3nc4ccc5ccccc5c4cc3c2[C@@H]1O,3899,1,313.11
+CN(C)CCCNc1c2ccccc2nc2ccc([N+](=O)[O-])cc12,3901,1,324.16
+COc1ccc(/C=N/n2nnc3c4ccccc4nc-3c2O)cc1,3902,1,319.11
+C[n+]1c(-c2ccc(N)cc2)c2cc(N)ccc2c2ccc(N)cc21,3903,1,315.16
+NC(CCC(=O)NC(CS/C(Cl)=C/Cl)C(=O)NCC(=O)O)C(=O)O,3907,1,401.02
+COc1cc2c(c3oc(=O)c4c(c13)C(O)CC4=O)C1C=COC1O2,3908,1,328.06
+c1ccc2c(c1)-c1cc3c(cc1C1OC21)-c1ccccc1C1OC31,3910,1,310.1
+O=[N+]([O-])c1ccc2c3c4c(cccc4c4ccccc4c13)[C@@H]1O[C@H]21,3911,1,313.07
+Oc1ccc2cc3c4ccccc4c4ccccc4c3cc2c1O,3913,1,310.1
+Oc1ccc2c3ccccc3c3cc4ccccc4cc3c2c1O,3915,1,310.1
+Oc1ccc2c3cc4ccccc4cc3c3ccccc3c2c1O,3916,1,310.1
+Cc1ccc(OS(=O)(=O)c2cccc3cccnc23)c([N+](=O)[O-])c1,3917,1,344.05
+O=[N+]([O-])c1cc2[nH]c3ccc4ccccc4c3c2c2ccccc12,3918,1,312.09
+O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,3919,1,338.06
+CN(C)c1ccc2nc3ccc(N(C)C)cc3[s+]c2c1,3920,1,373.12
+COc1cc2c(c3oc4cccc(O)c4c(=O)c13)[C@@H]1C=CO[C@@H]1O2,3921,1,324.06
+CCN(CC)c1ccc(/N=N/c2ccc([N+](=O)[O-])cc2C#N)cc1,3922,1,323.14
+CC(=O)OCc1ccc(/N=N/c2ccccc2COC(C)=O)cc1,3923,1,326.13
+Cc1cc2nc3c(cc(N)c4ccccc43)[o+]c2cc1N(C)C,3924,1,339.11
+COc1cc2c(c3oc(=O)c4c(c13)CCC4=O)[C@H]1[C@@H](O2)O[C@@H]2O[C@@H]21,3925,1,328.06
+COc1cc2c(c3oc(=O)c4c(c13)[C@@H](O)CC4=O)[C@@H]1C=CO[C@@H]1O2,3926,1,328.06
+O=C(NC(Cc1ccc(Cl)cc1)C(=O)O)OCc1ccccc1,3927,1,356.07
+O[C@@H]1C=Cc2c(ccc3cc4c(ccc5ccccc54)cc23)[C@H]1O,3929,1,312.12
+CCN(CC)c1ccc(/N=N/c2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1,3930,1,366.07
+CN(C)CCNC(=O)c1cccc2cc3ccccc3nc12,3931,1,365.11
+[N-]=[N+]=Nc1ccc(Nc2c3ccccc3nc3ccccc23)cc1,3932,1,311.12
+NC(CCC(=O)NC(CS/C(Cl)=C\Cl)C(=O)NCC(=O)O)C(=O)O,3933,1,401.02
+O[C@H]1C=Cc2ccc3cc4c(ccc5ccccc54)cc3c2[C@@H]1O,3934,1,312.12
+O=[N+]([O-])c1ccc2c3c4c(cccc4c4ccccc4c13)C1OC21,3936,1,313.07
+N=c1c2ncn(C(c3ccccc3)c3ccccc3)c2ncn1O,3937,1,317.13
+COC(=O)Nc1nc2ccc(/C(=N/O)c3ccc(F)cc3)cc2[nH]1,3938,1,328.1
+COc1ccc(/C=N/n2[nH]nc3c4ccccc4nc-3c2=O)cc1,3939,1,319.11
+COc1cc(C(O)c2[nH]cc([N+](=O)[O-])[n+]2C)c(O)c(C(C)(C)C)c1,3940,1,336.16
+CN(C)CCNC(=O)c1cccc2c1C(=O)c1ccccc1C2=O,3941,1,322.13
+c1ccc2c3c4c(cc5ccccc5c4cc2c1)C1=C3CCCC1,3942,1,306.14
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+COc1cc2c(c3oc(=O)c4c(c13)CCOC4=O)C1C=COC1O2,3944,1,328.06
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+O=[N+]([O-])c1ccc2ccc3c(O)ccc4c5ccccc5c1c2c34,3950,1,313.07
+O=C1CCc2c1cc(C(F)(F)F)c1c3c(ccc21)[C@H](O)[C@@H](O)C=C3,3951,1,334.08
+COc1cccc2c(NCCCNCCCl)c3ccccc3nc12,3952,1,343.15
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+O=[N+]([O-])c1ccc(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c([N+](=O)[O-])c1,3955,1,334.02
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+CN(C)CCCNc1c2ccccc2nc2c([N+](=O)[O-])cccc12,3966,1,324.16
+O=[N+]([O-])c1ccc2ccc3ccc(O)c4c5ccccc5c1c2c34,3967,1,313.07
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+O=[N+]([O-])c1ccc2ccc3cc4c(c5ccc1c2c35)CCCC4O,3970,1,317.11
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+CN(C)CCCNc1c2ccccc2nc2cccc([N+](=O)[O-])c12,3972,1,324.16
+O=[N+]([O-])c1ccc2ccc3c4c(ccc1c24)c1ccccc1[n+]3[O-],3973,1,314.07
+CC(=O)OCc1c2ccccc2c(C)c2ccc3ccccc3c12,3974,1,314.13
+CN(C)CCCNc1c2ccccc2nc2cc([N+](=O)[O-])ccc12,3975,1,324.16
+c1ccc2c(c1)-c1cc3ccccc3c3cc4ccccc4c-2c13,3976,1,302.11
+O=[N+]([O-])c1ccc2ccc3c4ccccc4[n+]([O-])c4ccc1c2c34,3977,1,314.07
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+O=[N+]([O-])c1ccc(-c2ccc([N+](=O)[O-])c([N+](=O)[O-])c2)c([N+](=O)[O-])c1,3981,1,334.02
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+O=C(O)c1cc2c(c3c1c([N+](=O)[O-])cc1c(O)cccc13)OCO2,3984,1,327.04
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+c1ccc2c(c1)-c1cc3ccccc3c3cc4c(c-2c13)CCCC4,3987,1,306.14
+CN(C)CCNC(=O)c1cccc2ccc(-c3ccccc3)nc12,3989,1,319.17
+c1cc2ccc3ccc4ccc5ccc6ccc1c1c2c3c4c5c61,3990,1,300.09
+O[C@H]1C=Cc2c(ccc3cc4c(ccc5ccccc54)cc23)[C@@H]1O,3992,1,312.12
+O[C@H]1c2ccccc2-c2cc3ccc4ccccc4c3cc2[C@@H]1O,3993,1,312.12
+OC1c2ccc3cc4ccc5ccccc5c4nc3c2C2OC2C1O,3994,1,329.11
+O=[N+]([O-])c1ccc2ccc3c4c(cc5ccc1c2c53)[C@@H](O)[C@H](O)C=C4,3995,1,331.08
+O=C(O)c1ccc(/C=N/n2nnc3c4ccccc4nc-3c2O)cc1,3996,1,333.09
+O=C1c2cc(O)cc(O)c2C(=O)c2c1cc1c(c2O)[C@@H]2C=CO[C@@H]2O1,3997,1,338.04
+O=[N+]([O-])c1ccc(/C=N/n2nnc3c4ccccc4nc-3c2O)cc1,3999,1,334.08
+OC1c2cc3c4ccccc4c4ccccc4c3cc2C2OC2C1O,4000,1,328.11
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+COc1ccc2nc3cc(Cl)ccc3c(NCCCNCCCl)c2n1,4002,1,378.1
+OC1c2ccc3cc4c(ccc5ccccc54)nc3c2C2OC2C1O,4004,1,329.11
+CC(C)CC(=O)/N=c1\sn(C(=O)CC(C)C)c2ccc([N+](=O)[O-])cc12,4005,1,363.13
+OC1c2ccc3nc4ccc5ccccc5c4cc3c2C2OC2C1O,4006,1,329.11
+O=C(CCCCl)/N=c1\sn(C(=O)CCCCl)c2ccc([N+](=O)[O-])cc12,4007,1,403.02
+COc1cc2c(cc1OC)-c1c3c(cc4c1C(C2)N(C)CC4)OCO3,4008,1,339.15
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+COc1ccc2nc3cc(Cl)ccc3c(NCCCNCCCl)c2c1,4010,1,377.11
+OC1c2ccc3c4ccccc4c4ccccc4c3c2C2OC2C1O,4013,1,328.11
+OC1c2ccc3ccc4c5ccccc5ccc4c3c2C2OC2C1O,4014,1,328.11
+COc1cc2c(c3oc(=O)c4c(c13)[C@@H](Cl)[C@@H](Cl)C4=O)[C@@H]1C=CO[C@@H]1O2,4015,1,379.99
+O=[N+]([O-])c1ccc2c3c4c(cccc4c4ccccc4c13)C(O)C2O,4016,1,331.08
+O=[N+]([O-])c1ccc2ccc3cc4c(c5ccc1c2c35)C(O)C(O)C=C4,4017,1,331.08
+O=[N+]([O-])c1ccc(N=Nc2c(O)ccc3ccccc23)c([N+](=O)[O-])c1,4018,1,338.07
+N[C@@H](CCC(=O)N[C@@H](CSC(Cl)=C(Cl)Cl)C(=O)NCC(=O)O)C(=O)O,4019,1,434.98
+CCOC(=O)CSc1ccc2c3c(cccc13)C(=O)c1ccccc1-2,4020,1,348.08
+CC(C)(c1ccc(OC[C@H]2CO2)cc1)c1ccc(OC[C@H]2CO2)cc1,4021,1,340.17
+O=[N+]([O-])c1ccc2ccc3cc4c(c5ccc1c2c35)C=CC(O)C4O,4022,1,331.08
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+NCCN(CCCl)c1c2ccccc2nc2c1ccc1ccccc12,4024,1,349.13
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+COc1cc2c3c(c1OC)-c1cc4c(cc1C[C@@H]3N(C)CC2)OCO4,4029,1,339.15
+O=[N+]([O-])c1ccc2c3c4c(cccc4c4ccccc4c13)[C@H](O)[C@H]2O,4031,1,331.08
+Oc1c2c(c3c(ccc4c3ccc3ccc5ccccc5c34)c1O)O2,4032,1,324.08
+Oc1ccc2ccc3c4ccc5ccccc5c4c4c(c3c2c1O)O4,4033,1,324.08
+O=[N+]([O-])c1cc2[nH]c3ccc4ccccc4c3c2c2ccc(O)cc12,4034,1,328.08
+O=[N+]([O-])c1cc2[nH]c3ccc4ccccc4c3c2c2cc(O)ccc12,4035,1,328.08
+Cc1cc2nc3c(C)c(N)ccc3[n+](-c3ccccc3)c2cc1N,4036,1,350.13
+CN(OC(=O)c1ccccc1)c1ccc(/N=N/c2ccccc2)cc1,4037,1,331.13
+CC(=O)OC1Cc2c3ccc4ccccc4c3cc3ccc(C)c1c23,4038,1,326.13
+ClCCNCCCNc1c2ccccc2nc2ccccc12,4039,1,403.1
+CCN(CC)c1ccc2nc3c(cc(N)c4ccccc43)[o+]c2c1,4040,1,353.13
+O=[N+]([O-])c1ccc2ccc3cc4c(c5ccc1c2c35)C=C[C@H](O)[C@H]4O,4042,1,331.08
+O=[N+]([O-])c1ccc2ccc3cc4c(c5ccc1c2c35)[C@H](O)[C@@H](O)C=C4,4043,1,331.08
+CN(C)CCNC(=O)c1cccc2c(N)c3ccccc3nc12,4044,1,380.12
+O[C@@H]1[C@@H]2O[C@@H]2c2c(ccc3cc4ccc5ccccc5c4nc23)[C@H]1O,4045,1,329.11
+O[C@H]1[C@H]2O[C@H]2c2c(ccc3cc4ccc5ccccc5c4nc23)[C@@H]1O,4046,1,329.11
+O[C@@H]1[C@H]2O[C@H]2c2c(ccc3cc4ccc5ccccc5c4nc23)[C@H]1O,4047,1,329.11
+O[C@H]1[C@@H]2O[C@@H]2c2c(ccc3cc4ccc5ccccc5c4nc23)[C@@H]1O,4048,1,329.11
+O=c1c2c(c3c(ccc4cc5c(ccc6ccccc65)[nH]c43)c1O)O2,4049,1,325.07
+O=[N+]([O-])c1ccc2ccc3c4c(cc5ccc1c2c53)[C@H](O)[C@@H](O)C=C4,4050,1,331.08
+O[C@@H]1[C@H]2O[C@H]2c2c(ccc3nc4ccc5ccccc5c4cc23)[C@H]1O,4051,1,329.11
+O[C@@H]1[C@@H]2O[C@@H]2c2c(ccc3nc4ccc5ccccc5c4cc23)[C@H]1O,4052,1,329.11
+O=C(CCCCl)/N=c1/sn(C(=O)CCCCl)c2ccc([N+](=O)[O-])cc12,4053,1,403.02
+CCCCC(=O)/N=c1/sn(C(=O)CCCC)c2ccc([N+](=O)[O-])cc12,4054,1,363.13
+CC(C)CC(=O)/N=c1/sn(C(=O)CC(C)C)c2ccc([N+](=O)[O-])cc12,4055,1,363.13
+O[C@@H]1[C@H]2O[C@H]2c2c(ccc3c4ccccc4c4ccccc4c23)[C@H]1O,4056,1,328.11
+O=c1c2nc3ccccc3c-2n[nH]n1/N=C/c1ccc([N+](=O)[O-])cc1,4057,1,334.08
+CCCN(CCC)CCc1cccc2[nH]c3c(C)ccc(C)c3c12,4058,1,358.22
+O=C(O)c1ccc(/C=N/n2[nH]nc3c4ccccc4nc-3c2=O)cc1,4059,1,333.09
+O[C@@H]1[C@H]2O[C@H]2c2c(ccc3cc4c(ccc5ccccc54)nc23)[C@H]1O,4060,1,329.11
+O[C@H]1[C@H]2O[C@H]2c2c(ccc3cc4c(ccc5ccccc54)nc23)[C@@H]1O,4061,1,329.11
+O[C@@H]1[C@@H]2O[C@@H]2c2c(ccc3cc4c(ccc5ccccc54)nc23)[C@H]1O,4062,1,329.11
+CC(O)C(=O)O.CCOc1ccc2nc3cc(N)ccc3c(N)c2c1,4063,1,343.15
+COc1ccc(-c2oc3ccccc3c(=O)c2[N+](=O)[O-])cc1[N+](=O)[O-],4064,1,342.05
+COc1ccc2c(cc3c4c(cc5c(c42)OCO5)CCN3C)c1OC,4065,1,337.13
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+CC(C)(C)NCC(O)COc1ccccc1C1CCCC1.CC(C)(C)NCC(O)COc1ccccc1C1CCCC1,4575,1,680.41
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+O=C(O)C1=C/C(=N\Nc2ccc(-c3ccc(/N=N/c4ccc(N/N=C5/C=CC(=O)C(C(=O)O)=C5)c5cc(S(=O)(=O)O)ccc45)cc3)cc2)C=CC1=O,4604,1,785.1
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+CN(C)CCN(Cc1cccs1)c1ccccn1.CN(C)CCN(Cc1cccs1)c1ccccn1.O=C(O)/C=C/C(=O)O.O=C(O)/C=C/C(=O)O.O=C(O)/C=C/C(=O)O,4618,1,870.29
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+COCCl,4644,0,80.0
+NCCS,4645,0,77.03
+OCCS,4647,0,78.01
+O=C(O)O,4649,0,62.0
+CC(Br)Br,4650,0,185.87
+N#CCCl,4651,0,74.99
+[CH2-][N+](=O)[O-],4653,0,60.01
+O=CCO,4654,0,60.02
+C[N+](=O)[O-],4658,0,61.02
+C=CCC,4659,0,56.06
+CCCO,4671,0,60.06
+ClC(Cl)Cl,4672,0,117.91
+CC(C)=O,4673,0,58.04
+CCCC,4675,0,58.08
+ClC(Br)Br,4676,0,205.81
+CCC=O,4677,0,58.04
+N#CCO,4679,0,57.02
+OCCO,4680,0,62.04
+NC(N)=O,4681,0,60.03
+CC(=O)Cl,4683,0,77.99
+CC(C)O,4684,0,60.06
+C/C=C/C,4686,0,56.06
+CC(N)=O,4687,0,59.04
+CC(=O)O,4688,0,60.02
+N#CCBr,4690,0,118.94
+CCCBr,4691,0,121.97
+NCCO,4692,0,61.05
+Cl/C=C\Cl,4694,0,95.95
+C=C(C)C,4696,0,56.06
+CN(C)C,4697,0,59.07
+CC(Cl)Cl,4698,0,97.97
+CCC#N,4699,0,55.04
+CC(C)N,4700,0,59.07
+CCCCC,4701,0,72.09
+C[C@@H](O)CO,4703,0,76.05
+CC[C@@H](C)N,4704,0,73.09
+CCCC=O,4708,0,72.06
+CCOCC,4709,0,74.07
+NC(=O)CBr,4710,0,136.95
+NNC(N)=O,4712,0,75.04
+C=C(Cl)C#N,4714,0,86.99
+C[CH-][N+](=O)[O-],4715,0,74.02
+CC(=O)CCl,4716,0,92.0
+O=C(O)CO,4717,0,76.02
+CN[N+](=O)[O-],4719,0,76.03
+C[C@@H](N)CN,4720,0,74.08
+NC(=O)CI,4721,0,184.93
+CCC(C)C,4722,0,72.09
+COCOC,4723,0,76.05
+CC(O)CO,4724,0,76.05
+CC(N)CN,4730,0,74.08
+CC(O)CN,4731,0,75.07
+CC(=O)NBr,4732,0,136.95
+CC[N+](=O)[O-],4733,0,75.03
+ClCCCCl,4734,0,111.98
+C=C(C)CCl,4735,0,90.02
+O=C(O)O,4737,0,149.9
+C=C/C=C/C,4738,0,68.06
+O=[N+]([O-])[O-],4740,0,100.95
+CCC(C)N,4743,0,73.09
+NCCS,4750,0,113.01
+COC(N)=O,4755,0,75.03
+C=CC(=O)O,4756,0,72.02
+N#CCCN,4757,0,70.05
+COCCO,4758,0,76.05
+CC(O)C#N,4759,0,71.04
+C=C/C=C\C,4763,0,68.06
+COC(C)=O,4764,0,74.04
+C=CC(=C)C,4765,0,68.06
+CC(C)CN,4766,0,73.09
+C=CC(N)=O,4767,0,71.04
+C=CC(=C)Cl,4768,0,88.01
+CCCCCl,4770,0,92.04
+CCCCO,4771,0,74.07
+CC(C)CO,4772,0,74.07
+CC(=O)OO,4773,0,76.02
+CCCCN,4774,0,73.09
+CNCCO,4776,0,75.07
+NCCCN,4777,0,74.08
+CN(N)C=O,4778,0,74.05
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+O=C(O)CCl,4780,0,93.98
+C=C(C)C#N,4783,0,67.04
+N#CCC#N,4786,0,66.02
+N#CCCO,4787,0,71.04
+NCC(=O)O,4788,0,75.03
+CN(C)C=O,4789,0,73.05
+CCC(C)=O,4791,0,72.06
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+O=C(O)CS,4794,0,91.99
+C[C@@H](O)C(=O)O,4799,0,90.03
+CC(C)=CC=O,4801,0,84.06
+C=C(Br)C(=O)O,4804,0,149.93
+CC(C)CCO,4805,0,88.09
+CC(O)C(C)O,4806,0,90.07
+CNC(=O)NO,4811,0,90.04
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+CC(N)C(=O)O,4813,0,89.05
+CC(=O)[C@@H](C)O,4815,0,88.05
+C=CCCCC,4817,0,84.09
+OCC#CCO,4819,0,86.04
+CCCC(C)=O,4820,0,86.07
+ClC(Cl)=C(Cl)Cl,4821,0,163.88
+CC[C@H](O)CN,4822,0,89.08
+CC(Cl)C(=O)O,4823,0,108.0
+CCCCCO,4830,0,88.09
+COC(=O)CCl,4831,0,108.0
+CC(O)C(=O)O,4833,0,90.03
+O=C1OCCO1,4835,0,88.02
+COCC[Hg+],4836,0,295.99
+O=C(O)CS,4838,0,114.98
+CC(=O)C(C)O,4839,0,88.05
+CCC(O)CN,4848,0,89.08
+C/C=C\C=C/C,4852,0,82.08
+O=CCC=O,4859,0,95.01
+CCC[N+](=O)[O-],4860,0,89.05
+C=CC(=O)OC,4861,0,86.04
+CCCCC=O,4863,0,86.07
+CC(C)C(C)C,4864,0,86.11
+COCC(=O)O,4865,0,90.03
+CCNCCN,4867,0,88.1
+CCOCCO,4868,0,90.07
+CCCCCN,4873,0,87.1
+C=C(C)C(C)=O,4874,0,84.06
+N#CCCC#N,4875,0,80.04
+c1cnccn1,4877,0,80.04
+C=C(C)C(=O)O,4878,0,86.04
+CN(C)CCO,4881,0,89.08
+CSCCC=O,4882,0,104.03
+OCCCCO,4883,0,90.07
+C=COC(C)=O,4884,0,86.04
+CCCCCC,4886,0,86.11
+CCCC(=O)O,4888,0,88.05
+COC(C)(C)C,4891,0,88.09
+CNC(=O)NC,4892,0,88.06
+CC(=O)N(C)C,4893,0,87.07
+CCC(C)(C)C,4895,0,86.11
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+O=C1CCCO1,4902,0,86.04
+CCCCC#N,4904,0,83.07
+CC(N)CCN,4905,0,88.1
+O=C(O)C(=O)O,4906,0,90.0
+CC(C)(C)CBr,4907,0,150.0
+c1ccncc1,4909,0,79.04
+CCOC(C)=O,4910,0,88.05
+OCC(O)CO,4914,0,92.05
+C=CC(=O)O,4915,0,95.01
+O=C(O)CC(=O)O,4916,0,104.01
+CC(C)C[C@@H](C)N,4918,0,101.12
+CC(Cl)(Cl)C(=O)O,4919,0,141.96
+CC(Br)(CO)CBr,4921,0,229.89
+CC(C)(C)OCO,4924,0,104.08
+[N-]=[N+]=NCC(=O)O,4925,0,101.02
+CCC[CH-][N+](=O)[O-],4926,0,102.06
+CCOC(=O)CCl,4927,0,122.01
+C[C@H](CO)[N+](=O)[O-],4928,0,105.04
+CCCCC1CO1,4930,0,100.09
+CC(C)(C)[N+](=O)[O-],4931,0,103.06
+O=C(Cl)OCCCl,4932,0,141.96
+FC(F)(F)[C@H](Cl)Br,4933,0,195.89
+C=COC(=O)C=C,4939,0,98.04
+ClCCC(Br)CBr,4940,0,247.86
+NC(CO)C(=O)O,4941,0,105.04
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+CC(=O)/C(C)=N\O,4943,0,101.05
+Clc1ccncc1,4944,0,113.0
+FC(F)(F)C(Cl)Br,4947,0,195.89
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+CC(C)CC(C)N,4955,0,101.12
+CCCC[N+](=O)[O-],4956,0,103.06
+CC(Br)(CBr)CBr,4957,0,291.81
+O=C(O)C(Cl)Cl,4959,0,150.93
+CC(CO)[N+](=O)[O-],4961,0,105.04
+CC(=O)OCCO,4967,0,104.05
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+O=C1CCC(=O)O1,4979,0,100.02
+CCCNCCC,4980,0,101.12
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+NCCNCCN,4988,0,103.11
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+O=C(CCl)NCO,4990,0,123.01
+CCOCC(=O)O,4992,0,104.05
+CC(=O)OC(C)C,4993,0,102.07
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+CCCCNCC,5006,0,101.12
+CCN(CC)CC,5007,0,101.12
+CC(Br)(CCl)CBr,5009,0,247.86
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+OCCOCCO,5013,0,106.06
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+CCC(=O)C(C)=O,5022,0,100.05
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+CN(C)CCCN,5028,0,102.12
+CC(=O)OC(C)=O,5029,0,102.03
+O=C(O)C(Cl)(Cl)Cl,5030,0,161.9
+C=CC(=O)NCO,5031,0,101.05
+Cc1cnccn1,5032,0,94.05
+C=C(C)OC(C)=O,5034,0,100.05
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+CCCC(=O)OCC,5044,0,116.08
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+O=C(O)c1ccco1,5049,0,112.02
+Oc1ccccc1Cl,5050,0,128.0
+C=CCCCCCC,5051,0,112.13
+CC(=O)N(N)C(C)=O,5052,0,116.06
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+CC(C)(Br)C(Br)CCl,5057,0,261.88
+CCCCCC(=O)O,5058,0,116.08
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+CC(C)OC(=O)CCl,5062,0,136.03
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+O=C(O)CCC(=O)O,5066,0,118.03
+CC[C@@H](C)[C@H](C)CO,5067,0,116.12
+CC[C@@H](CO)[N+](=O)[O-],5068,0,119.06
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+CCCC[CH-][N+](=O)[O-],5071,0,116.07
+O=C(O)/C=C\C(=O)O,5072,0,116.01
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+CC(C#N)CCC#N,5096,0,108.07
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+CCNNCC,5102,0,160.05
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+Cc1ccc(Br)cc1,5110,0,169.97
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+Clc1cncc(Cl)c1,5115,0,146.96
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+CCCCCCC=O,5119,0,114.1
+Cc1ccccc1C,5120,0,106.08
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+Cc1ccccc1O,5133,0,108.06
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+N#CCCCCC#N,5138,0,108.07
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+C=Cc1ccccn1,5140,0,105.06
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+NC(=O)NCC(=O)O,5147,0,118.04
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+N#Cc1ccccc1,5157,0,103.04
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+Fc1cccc(F)n1,5160,0,115.02
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+COC(=O)CC(C)=O,5162,0,116.05
+C=CCOC(=O)C=C,5163,0,112.05
+Cc1cnc(C)cn1,5164,0,108.07
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+O=C(O)/C=C/C(=O)O,5187,0,116.01
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+C=CC(=O)OCCOC,5193,0,130.06
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+O/N=C/c1ccccn1,5224,0,122.05
+CCOC(=O)CC(C)C,5225,0,130.1
+ICCc1ccccc1,5226,0,231.97
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+O=[N+]([O-])C(Br)(CO)CO,5242,0,198.95
+CC[C@@H]([C@@H](C)O)[N+](=O)[O-],5243,0,133.07
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+C=Cc1ccc(C)cc1,5249,0,118.08
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+COC(=O)c1ccco1,5252,0,126.03
+OCc1ccc(O)cc1,5253,0,124.05
+C[C@@H](O)COC[C@@H](C)O,5254,0,134.09
+Cc1ccc(Cl)cc1N,5255,0,141.03
+CCCC[C@@H](CC)CO,5256,0,130.14
+Oc1c(Cl)cccc1Cl,5257,0,161.96
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+CC(Cl)c1ccccc1,5259,0,140.04
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+C=C(C#N)C(=O)OCC,5267,0,125.05
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+O=C/C=C/c1ccco1,5279,0,122.04
+O=[N+]([O-])[O-].O=[N+]([O-])[O-],5282,0,261.88
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+O=[N+]([O-])c1ccccc1,5360,0,123.03
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+BrCc1ccc(CBr)cc1,5467,0,261.9
+BrCc1cccc(CBr)c1,5469,0,261.9
+c1ccc2c(c1)CCNC2,5470,0,133.09
+Oc1[nH]nc2ccccc12,5471,0,134.05
+FC(F)OC(F)(F)C(F)Cl,5474,0,183.97
+N#C[C@@H](O)c1ccccc1,5475,0,133.05
+Cc1cccc2[nH]nnc12,5478,0,133.06
+O=CN(O)c1ccccc1,5479,0,137.05
+O=[N+]([O-])c1cccc(Cl)c1,5481,0,156.99
+CCSCCC(N)C(=O)O,5482,0,163.07
+CC(C)c1ccccc1O,5486,0,136.09
+O=C(O)C(O)C(O)C(=O)O,5492,0,150.02
+O=C(O)/C=C\C(=O)O,5494,0,161.99
+O=c1[nH]sc2ccccc12,5496,0,151.01
+OC[P+](CO)(CO)CO,5501,0,190.02
+N#CC(O)c1ccccc1,5502,0,133.05
+O=C(O)c1ccccc1,5503,0,145.03
+CC(S)C(=O)NCC(=O)O,5505,0,163.03
+Cc1cc(N)cc(C)c1N,5507,0,136.1
+O=c1[nH][nH]c2ccccc12,5508,0,134.05
+OC/C=C\c1ccccc1,5512,0,134.07
+COc1ccccc1N,5514,0,159.05
+Cc1ccc2n[nH]nc2c1,5515,0,133.06
+O=C(O)/C=C\C=C\C(=O)O,5519,0,142.03
+CCCCOCC(=O)O,5520,0,155.07
+Cc1ccc(N)cc1Cl,5521,0,177.01
+Cc1cccc2n[nH]nc12,5523,0,133.06
+O=C(O)Nc1ccccc1,5524,0,137.05
+N#Cc1ccccc1C#N,5527,0,128.04
+NC(=O)CCCCC(N)=O,5528,0,144.09
+C=C(C)C(=O)OC(C)(C)C,5529,0,142.1
+C=Cc1ccc(OC)cc1,5530,0,134.07
+C[S+]([O-])c1ccc(Cl)cc1,5531,0,173.99
+CCCCCCCCC=O,5532,0,142.14
+c1ccc2cnncc2c1,5533,0,130.05
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+c1cc2cnncc2cn1,5536,0,131.05
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+C=CC(=O)OCCCCC,5541,0,142.1
+c1cnc2cnncc2c1,5542,0,131.05
+O=Cc1ccc(Cl)c(Cl)c1,5543,0,173.96
+O=C(O)c1ccc(O)cc1,5544,0,138.03
+Oc1cc(Cl)c(O)cc1Cl,5545,0,177.96
+Cc1ccc([N+](=O)[O-])cc1,5546,0,137.05
+Oc1c(Cl)ccc(Cl)c1Cl,5547,0,195.92
+CCOP(=O)(CC)OCC,5548,0,166.08
+Oc1cc(Cl)cc(Cl)c1Cl,5549,0,195.92
+C[n+]1cccc(C(=O)O)c1,5550,0,138.05
+CCCCCCCC(=O)O,5551,0,144.12
+C=Cc1ccccc1C=C,5552,0,130.08
+Cc1cc(C)c(C)cc1C,5553,0,134.11
+COC(C)CCOC(C)=O,5554,0,146.09
+O=Cc1c(Cl)cccc1Cl,5555,0,173.96
+Nc1ccc(Cl)c(Cl)c1Cl,5556,0,194.94
+c1ccc2ccccc2c1,5557,0,128.06
+CC1=CC(=O)C=C(C)C1=O,5558,0,136.05
+NC(=O)c1ccc(N)cc1,5560,0,136.06
+OCCOc1ccccc1,5561,0,138.07
+CCOC(=O)CC(=O)CCl,5562,0,164.02
+Cc1c(N)ccc(N)c1C,5563,0,136.1
+CC(=O)Nc1ccccc1,5564,0,135.07
+O=C(O)c1ccccc1O,5565,0,138.03
+C=CCc1ccc(O)cc1,5566,0,134.07
+O=S(=O)(O)c1ccccc1,5567,0,158.0
+Cc1nc2ccccc2s1,5568,0,149.03
+CCOc1ccccc1N,5569,0,137.08
+N#Cc1cccc(C#N)c1,5571,0,128.04
+c1ccc2cnccc2c1,5572,0,129.06
+FC(F)(F)c1ccccc1,5573,0,146.03
+C=CC(=O)OCCN(C)C,5575,0,143.09
+O=[N+]([O-])c1ccc(O)cc1,5576,0,139.03
+C=CCOC(=O)CC(C)C,5578,0,142.1
+Clc1ccc(Cl)c(Cl)c1Cl,5579,0,213.89
+N#CCc1ccc(Cl)cc1,5580,0,151.02
+C=CCCCCCCCC,5581,0,140.16
+O=C(O)c1ccc(Cl)cc1,5582,0,156.0
+Cc1ccccc1C(N)=O,5583,0,135.07
+OCCN(CCO)CCO,5584,0,149.11
+Cc1ccccc1[N+](=O)[O-],5585,0,137.05
+CCOP(=O)(C#N)N(C)C,5586,0,162.06
+Oc1ccc(Cl)c(Cl)c1Cl,5589,0,195.92
+O=[N+]([O-])c1ccccc1O,5590,0,139.03
+COc1ccc(OC)cc1,5591,0,138.07
+CC(C)CC(=O)CC(C)C,5592,0,142.14
+Cc1ccc(C)c(C)c1C,5593,0,134.11
+C=CC(=O)OCC(C)(C)C,5594,0,142.1
+O=C(O)/C=C/C=C/C(=O)O,5595,0,142.03
+C=C(C)C(=O)OCC(C)C,5596,0,142.1
+O=C(Cl)c1ccc(Cl)cc1,5597,0,173.96
+FC(C(F)(F)F)C(F)(F)F,5598,0,170.0
+C[N+](C)(C)NCCC(=O)O,5599,0,147.11
+CC1=CC(=O)C(C)=CC1=O,5600,0,136.05
+C=CC(=C)CCC=C(C)C,5601,0,136.13
+CC(=O)/C=C/c1ccco1,5602,0,136.05
+COc1ccc(C=O)cc1,5603,0,136.05
+CCCCCCCCCC,5604,0,142.17
+NCc1cccc(CN)c1,5605,0,136.1
+O=C(CBr)c1ccccc1,5606,0,197.97
+N#Cc1c(Cl)cccc1Cl,5607,0,170.96
+Clc1cc(Cl)c(Cl)c(Cl)c1,5608,0,213.89
+c1ccc2c(c1)CCCC2,5610,0,132.09
+OCCCc1ccccc1,5611,0,136.09
+Cc1cccc([N+](=O)[O-])c1,5612,0,137.05
+C=C(C)C(=O)OCCCC,5614,0,142.1
+Nc1cc(Cl)c(Cl)c(Cl)c1,5615,0,194.94
+Nc1ccccc1[N+](=O)[O-],5616,0,138.04
+CNC(=O)c1ccccc1,5617,0,135.07
+COC1=CC(=O)C=CC1=O,5618,0,138.03
+NC(=O)c1ccccc1O,5619,0,137.05
+Nc1nc2ccccc2[nH]1,5620,0,133.06
+Clc1cc(Cl)c(Cl)cc1Cl,5621,0,213.89
+Nc1ccccc1C(=O)O,5623,0,137.05
+Oc1ccc2c(c1)OCO2,5625,0,138.03
+O=C(O)c1cccc(Cl)c1,5626,0,156.0
+O=Cc1ccc(Cl)cc1Cl,5627,0,173.96
+FC(Cl)C(F)(F)C(F)(F)Cl,5629,0,201.94
+Oc1cc(Cl)c(Cl)c(Cl)c1,5630,0,195.92
+CC(C)Nc1ccccc1,5631,0,135.1
+CCOC(=O)C(Cl)C(C)=O,5632,0,164.02
+O=C(O)CCCCC(=O)O,5633,0,146.06
+COC(=O)CCC(=O)OC,5634,0,146.06
+CN(C)Cc1ccccc1,5635,0,135.1
+COC(=O)c1ccccc1,5636,0,136.05
+O=Cc1cccc(Cl)c1Cl,5637,0,173.96
+O=C(O)c1ccccc1Cl,5638,0,156.0
+O=C/C=C/c1ccccc1,5639,0,132.06
+CCNc1nc(N)nc(Cl)n1,5640,0,173.05
+CS(=N)(=O)CCC(N)C(=O)O,5641,0,180.06
+CCOCCOCCOCC,5643,0,162.13
+C=CC(=O)NCCCN(C)C,5644,0,156.13
+Cc1cccc2ccccc12,5645,0,142.08
+C1=CC2OC2c2cccnc21,5647,0,145.05
+C[C@@H](N)[C@@H](O)c1ccccc1,5649,0,151.1
+CN[C@@H](C)Cc1ccccc1,5650,0,149.12
+CC1(c2ccc(Br)cc2)CO1,5651,0,211.98
+OC1CC=Cc2cccnc21,5653,0,147.07
+CCOC(=O)OC(=O)OCC,5654,0,162.05
+CCCCCCCC[C@H]1CO1,5656,0,156.15
+Oc1ccc2ccccc2c1,5657,0,144.06
+Oc1ccc2cccnc2c1,5658,0,145.05
+NC(CSC/C=C/Cl)C(=O)O,5660,0,195.01
+Nc1nc(N)c2[nH]cnc2n1,5661,0,150.07
+O=[N+]([O-])c1cccc(CO)c1,5662,0,153.04
+CC[C@@H](C)c1ccccc1O,5663,0,150.1
+O=C(O)c1cc(Cl)ccc1O,5664,0,171.99
+C[N+](C)(C)Cc1ccccc1,5665,0,150.13
+Fc1cnc2ccccc2c1,5666,0,147.05
+Oc1nncc2ccccc12,5667,0,146.05
+CCCCCCC(=O)OCC,5669,0,158.13
+CC(=O)C(=O)c1ccccc1,5670,0,148.05
+O=C(O)c1ccc(Cl)c(Cl)c1,5672,0,189.96
+O=[N+]([O-])c1ccccc1CO,5674,0,153.04
+Nc1nc2cc(Cl)ccc2[nH]1,5675,0,167.03
+O=[N+]([O-])c1ccccc1CBr,5677,0,214.96
+C=C(C#N)C(=O)OCC(C)C,5678,0,153.08
+CCCC(=O)OCCC(C)C,5679,0,158.13
+Cc1ccc(C(C)(C)O)cc1,5680,0,150.1
+COC(=O)CCCC(=O)OC,5681,0,160.07
+COc1cccc(C=O)c1O,5683,0,152.05
+c1cnc2c(c1)C1OC1CC2,5684,0,147.07
+O=C(O)c1cccc(Cl)c1Cl,5688,0,189.96
+O=C(O)c1ccc(O)cc1O,5689,0,154.03
+Oc1ccnc2ccccc12,5690,0,145.05
+CCCCCC(O)/C=C/C=O,5691,0,156.12
+Oc1ccc2ccccc2n1,5694,0,145.05
+CCCCCCCCCCCl,5695,0,176.13
+Fc1ccc2ccccc2n1,5699,0,147.05
+CCCCC/C=C\C=C/C=O,5700,0,152.12
+Nc1nc2c(Cl)cccc2s1,5701,0,183.99
+Oc1ncnc2ccccc12,5703,0,146.05
+C=CCOC(=O)CCCCC,5704,0,156.12
+O=C(O)/C(Cl)=C(\CCl)C(=O)O,5705,0,197.95
+Clc1cnc2ccccc2c1,5706,0,163.02
+O=C(O)COc1ccccc1,5707,0,152.05
+O=C(O)c1cc(O)nc(O)n1,5709,0,156.02
+CC(=O)CC(=O)/C=C/C(=O)O,5711,0,156.04
+c1cnc2c(c1)CCC1OC21,5712,0,147.07
+CCOC(=O)CNC(=O)CBr,5714,0,222.98
+O=C(CBr)Nc1ccccc1,5715,0,212.98
+Nc1c(O)cccc1C(=O)O,5719,0,153.04
+Cc1ccc2ccccc2c1,5722,0,142.08
+Oc1cnc2ccccc2c1,5723,0,145.05
+CNC(=O)Oc1ccccc1,5724,0,151.06
+O=[N+]([O-])c1cccc(CBr)c1,5727,0,214.96
+NNc1ccc(C(=O)O)cc1,5728,0,152.06
+O=[N+]([O-])c1ccc(CO)cc1,5730,0,153.04
+Cc1cccc2sc(N)nc12,5731,0,164.04
+CC(C)=CCC/C(C)=C\C=O,5733,0,152.12
+Oc1ccc2ncccc2c1,5734,0,145.05
+CCC1OC1c1ccccc1,5738,0,148.09
+Cc1ccc([N+](=O)[O-])c(N)c1,5739,0,152.06
+O=C(O)c1ccccc1O,5740,0,161.02
+[Hg+]c1ccccc1,5741,0,338.02
+CCOP(=O)(OCC)OCC,5742,0,182.07
+CCC(C)c1ccccc1O,5743,0,150.1
+CCOC(=O)CC(=O)OCC,5745,0,160.07
+O=C(O)CCSCCC(=O)O,5746,0,178.03
+NC(CCC(=O)O)C(=O)O,5747,0,170.04
+CCCCC/C=C/C=C/C=O,5751,0,152.12
+C=Cc1ccc(O)c(C=C)c1,5752,0,146.07
+CCCCCCCCC1CO1,5760,0,156.15
+CC(C)=CCC/C(C)=C/C=O,5764,0,152.12
+O=c1nc[nH]c2ccccc12,5765,0,146.05
+ClCCN(CCCl)CCCl,5768,0,238.98
+Oc1cc(O)cc(O)c1,5770,0,162.05
+O=C(O)c1ccccn1.[Cr],5772,0,192.98
+C=C(C)C(=O)OCCCCC,5777,0,156.12
+Nc1c(O)cccc1[N+](=O)[O-],5778,0,154.04
+C=CC(=O)OCCCCCC,5779,0,156.12
+FC(F)(F)c1ccccc1Cl,5780,0,180.0
+Cc1ccccc1S(N)(=O)=O,5781,0,171.04
+CCc1ccc([N+](=O)[O-])cc1,5782,0,151.06
+Cc1ccc(Cl)cc1[N+](=O)[O-],5783,0,171.01
+O=C(O)/C=C/c1ccccc1,5784,0,148.05
+CCCCCCCCCCO,5785,0,158.17
+CN(C)NC(=O)CCC(=O)O,5786,0,160.08
+Clc1cc(Cl)c(Cl)c(Cl)c1Cl,5788,0,247.85
+Nc1ccc(S(=O)(=O)O)cc1,5789,0,173.01
+Oc1cc(Cl)c(Cl)c(Cl)c1Cl,5790,0,229.89
+O=C(O)Cc1ccccc1Cl,5791,0,170.01
+CCCCCNCCCCC,5792,0,157.18
+Nc1ccc(O)c(C(=O)O)c1,5794,0,153.04
+Cc1cccc(C)c1[N+](=O)[O-],5795,0,151.06
+CC(=O)N(O)c1ccccc1,5796,0,151.06
+CCCCCCCCCCC,5797,0,156.19
+COC(=O)c1ccc(O)cc1,5799,0,152.05
+O=CN(O)c1cccc(Cl)c1,5800,0,171.01
+N#Cc1ccccc1[N+](=O)[O-],5801,0,148.03
+CC(=O)CC(=O)CCC(=O)O,5802,0,158.06
+CNC(=O)Nc1ccccc1,5803,0,150.08
+Nc1cccc(O)c1[N+](=O)[O-],5804,0,154.04
+CC(C)=CCC/C(C)=C/CO,5805,0,154.14
+Nc1ccc2ncccc2c1,5806,0,144.07
+Oc1c(Cl)cc(Cl)c(Cl)c1Cl,5807,0,229.89
+Nc1ccnc2ccccc12,5808,0,144.07
+Nc1ccccc1C(F)(F)F,5809,0,161.05
+Nc1ccc2c(=O)[nH]sc2c1,5810,0,166.02
+Cc1cnc2ccccc2n1,5811,0,144.07
+O=C(O)c1ccc(Cl)cc1Cl,5812,0,189.96
+O=C(O)c1cc(Cl)cc(Cl)c1,5813,0,189.96
+[O-][n+]1cc2ncccc2cn1,5814,0,147.04
+Nc1cccc(S(=O)(=O)O)c1,5815,0,173.01
+COC(=O)c1ccccc1N,5816,0,151.06
+C=CCCCCCCCCC,5817,0,154.17
+[O-][n+]1cc2ccncc2cn1,5818,0,147.04
+Clc1ccc2ccccc2c1,5819,0,162.02
+Cc1ccc(NC(N)=O)cc1,5821,0,150.08
+Cc1ccc(C(C)C)cc1O,5822,0,150.1
+COc1cccc([N+](=O)[O-])c1,5823,0,153.04
+O=C1OC(=O)c2ccccc21,5824,0,148.02
+O=C1NC(=O)c2ccccc21,5826,0,147.03
+Clc1nncc2cnccc12,5828,0,165.01
+COc1cc(N)c(C)cc1N,5829,0,152.09
+CC(=O)Nc1cccc(C)c1,5830,0,149.08
+O=C(Cl)OCc1ccccc1,5831,0,170.01
+CCc1ccccc1[N+](=O)[O-],5832,0,151.06
+Clc1nncc2ncccc12,5833,0,165.01
+O=[N+]([O-])c1cccc(Cl)c1Cl,5834,0,190.95
+CC(c1ccccc1)N(C)C,5835,0,149.12
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+CCN(CC)c1ccccc1,5840,0,149.12
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+Nc1cccc(C(F)(F)F)c1,5842,0,161.05
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+[O-][n+]1cc2ccccc2cn1,5852,0,146.05
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+Nc1ccc(S(N)(=O)=O)cc1,5854,0,172.03
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+C=C(C)C(=O)OCC(C)(C)C,5857,0,156.12
+C/C=C/c1ccc(OC)cc1,5858,0,148.09
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+CC(=O)Nc1cccc(O)c1,5862,0,151.06
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+O=C(O)c1c(Cl)cccc1Cl,5864,0,189.96
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+Nc1cccc([N+](=O)[O-])c1O,5868,0,154.04
+Clc1nncc2ccncc12,5869,0,165.01
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+Oc1c(Cl)c(Cl)cc(Cl)c1Cl,5873,0,229.89
+N#Cc1ccc([N+](=O)[O-])cc1,5875,0,148.03
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+C=CCc1ccc(OC)cc1,5878,0,148.09
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+CC(=O)Oc1ccc(CO)cc1,5905,0,166.06
+NN1C(=O)c2ccccc2C1=O,5906,0,162.04
+CC(C)Nc1nc(N)nc(Cl)n1,5907,0,187.06
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