0 B7R0.9 CC(=O)CC(F)(F)F 2117-3-44 [0,0,0,0,0,0|3,0,0]=3 1 B7R0.9 CC(=O)CS(C)(=O)=O 6163-1-06 [0,0,0,0,0,0|2,1,0]=3 2 B7R0.9 CC(C)(C)CC(=O)O 2121-1-X4 [0,0,0,0,0,0|2,0,0]=2 3 B7R0.9 CC(C)(C)NC(N)=S 7167-1-04 [0,0,0,0,0,0|3,1,0]=4 4 B7R0.9 CC(C)(C)OC(N)=O 4156-1-65 [0,0,0,0,0,0|3,0,0]=3 5 B7R0.9 CC(C)(N)CC(=O)O P911-A-54 [0,0,0,0,0,0|2,0,0]=2 6 B7R0.9 CS(=O)(=O)CC(=O)O 6165-1-01 [0,0,0,0,0,0|3,1,0]=4 7 B7R0.9 O=C(Cl)CC(F)(F)F 2116-7-33 [0,0,0,0,0,0|4,0,0]=4 8 B7R0.9 O=C(O)CC(F)(F)F 2121-3-11 [0,0,0,0,0,0|4,0,0]=4 9 B6R0.2 CC(=O)CC(C)=O 2118-1-01 [1,0,0,0,0,0|0,1,1]=3 10 B6R0.2 CC(=O)CC(C)C 2118-1-02 [1,0,0,0,0,0|0,0,0]=1 11 B6R0.2 CC(=O)\C=C(\C)N 4356-1-06 [1,0,0,0,0,0|1,0,2]=4 12 B6R0.2 CC(=O)\C=C(\C)[O-] 9128-1-X0 [1,0,0,0,0,0|0,1,2]=4 13 B6R0.2 CC(C)=CC(=O)O 2321-1-X4 [1,0,0,0,0,0|1,0,2]=4 14 B6R0.2 CC(C)CB(O)O 6160-1-X3 [1,0,0,0,0,0|2,0,1]=4 15 B6R0.2 CC(C)CC(N)=O 4148-1-Y7 [1,0,0,0,0,0|1,0,0]=2 16 B6R0.2 CC(C)NC(C)C 3135-5-00 [1,0,0,0,0,0|2,0,1]=4 17 B6R0.2 CC(C)NC(C)C 4133-5-01 [1,0,0,0,0,0|2,0,1]=4 18 B6R0.2 CC(C)NC(N)=S 7167-1-18 [1,0,0,0,0,0|2,1,0]=4 19 B6R0.2 CC(Cl)OC(=O)Cl 2116-5-X1 [1,0,0,0,0,0|3,0,0]=4 20 B6R0.2 CC(O)CC(=O)[O-] 2129-1-35 [1,0,0,0,0,0|1,1,0]=3 21 B6R0.2 CC(O)CC(C)O 2104-1-X3 [1,0,0,0,0,0|0,1,2]=4 22 B6R0.2 CN(C)CC(=O)O 4158-1-40 [1,0,0,0,0,0|2,0,0]=3 23 B6R0.2 CN(C)CC(N)=S 7167-5-01 [1,0,0,0,0,0|2,1,0]=4 24 B6R0.2 C[C@@H](O)C[C@@H](C)O 2104-1-28 [1,0,0,0,0,0|0,1,2]=4 25 B6R0.5 C=CC[Si](C)(C)C 5380-1-01 [1,0,0,0,0,0|1,1,1]=4 26 B6R0.5 C=CC[Si](C)(C)Cl 5381-5-03 [1,0,0,0,0,0|1,1,1]=4 27 B6R0.5 CC(C)(C)ON=O 4145-1-X1 [1,0,0,0,0,0|3,0,0]=4 28 B8R0.24 CC(C)(C)NC(=O)CCl 4148-5-11 [0,1,0,0,0,0|2,0,0]=3 29 B8R0.24 CC(C)(C)OC(=O)CBr 2123-9-07 [0,1,0,0,0,0|2,0,0]=3 30 B8R0.24 CC(C)(C)OC(=O)CN 4158-1-32 [0,1,0,0,0,0|2,0,0]=3 31 B8R0.24 CC(C)(C)OC(=O)CN 4158-5-46 [0,1,0,0,0,0|2,0,0]=3 32 B8R0.24 CC(C)(C)OC(=O)NO 4156-1-03 [0,1,0,0,0,0|3,0,0]=4 33 B8R0.24 CNC(=O)OC(C)(C)C 4156-1-36 [0,1,0,0,0,0|2,0,0]=3 34 B8R0.24 COC(=O)CC(F)(F)F 2123-3-66 [0,1,0,0,0,0|3,0,0]=4 35 B8R0.27 CC(C)(C)[C@@H](N)C(=O)O 4157-1-34 [0,1,0,0,0,0|2,0,0]=3 36 B8R0.27 CC(C)(C)[C@H](N)C(=O)O 4157-1-04 [0,1,0,0,0,0|2,0,0]=3 37 B8R0.27 CC(C)(S)[C@@H](N)C(=O)O 8157-1-X0 [0,1,0,0,0,0|1,0,0]=2 38 B8R0.34 CN(C)CC(C)(C)CO 4156-1-1L [0,1,0,0,0,0|2,1,0]=4 39 B8R1.77 NC(=O)C1CC1(Cl)Cl 4248-5-X0 [0,0,0,1,0,0|3,0,0]=4 40 B8R1.77 O=C(O)C1CC1(F)Cl 2221-7-X0 [0,0,0,1,0,0|3,0,0]=4 41 B8R1.77 O=C(O)C1CC1(F)F 2221-3-X2 [0,0,0,1,0,0|3,0,0]=4 42 B8R1.77 [C@H]1(C(N)=O)CC1(C)C 4248-1-S1 [0,0,0,1,0,0|2,0,0]=3 43 B6R0.7 CC(=O)C(C)(C)C 2117-1-05 [0,0,0,0,1,0|1,0,0]=2 44 B6R0.7 CC(=O)C(F)(F)Cl 2117-7-03 [0,0,0,0,1,0|3,0,0]=4 45 B6R0.7 CC(=O)C(F)(F)F 2117-3-01 [0,0,0,0,1,0|3,0,0]=4 46 B6R0.7 CC(=O)C(F)(F)F 2117-3-60 [0,0,0,0,1,0|3,0,0]=4 47 B6R0.7 CC(C)(Br)C(N)=O 4148-9-X0 [0,0,0,0,1,0|2,0,0]=3 48 B6R0.7 CC(C)(C)C(=N)N 4141-5-X0 [0,0,0,0,1,0|3,0,0]=4 49 B6R0.7 CC(C)(C)C(N)=O 4148-1-26 [0,0,0,0,1,0|2,0,0]=3 50 B6R0.7 CC(C)(C)C(N)=S 7169-1-00 [0,0,0,0,1,0|2,1,0]=4 51 B6R0.7 CC(C)(C)S(N)=O 8169-1-01 [0,0,0,0,1,0|3,0,0]=4 52 B6R0.7 CC(C)(C)[S@@](N)=O 8169-1-S2 [0,0,0,0,1,0|3,0,0]=4 53 B6R0.7 CC(C)(C)[S@](N)=O P311-A-51 [0,0,0,0,1,0|3,0,0]=4 54 B6R0.7 CC(C)(F)C(=O)O 2121-3-57 [0,0,0,0,1,0|2,0,0]=3 55 B6R0.7 CC(C)(O)C(=O)O 2129-1-10 [0,0,0,0,1,0|1,1,0]=3 56 B6R0.7 CC(F)(Br)C(=O)O 2121-B-06 [0,0,0,0,1,0|3,0,0]=4 57 B6R0.7 CC(F)(F)C(=O)O 2121-3-52 [0,0,0,0,1,0|3,0,0]=4 58 B6R0.7 CC(F)(F)C(=O)[O-] 2122-3-52 [0,0,0,0,1,0|3,0,0]=4 59 B6R0.7 CC(F)(F)C(N)=O 4148-3-X1 [0,0,0,0,1,0|3,0,0]=4 60 B8R0.29 CC(=O)CCC(F)(F)F 2117-3-26 [0,0,0,0,0,1|3,0,0]=4 61 B8R0.29 CC(=O)OCC(F)(F)F 2123-3-08 [0,0,0,0,0,1|3,0,0]=4 62 B8R0.29 CC(C)(C)OCC(=O)O 2121-1-X5 [0,0,0,0,0,1|2,0,0]=3 63 B5R0.1 C=CCC(C)O 2302-1-00 [2,0,0,0,0,0|0,1,1]=4 64 B5R0.1 CC(C)CCI 1100-H-X4 [2,0,0,0,0,0|1,0,1]=4 65 B5R0.1 CC(C)CCN 3130-1-X4 [2,0,0,0,0,0|1,0,1]=4 66 B5R0.1 CC(C)CCO 2101-1-53 [2,0,0,0,0,0|0,0,2]=4 67 B5R0.1 CC(C)CNN 3139-5-X0 [2,0,0,0,0,0|2,0,0]=4 68 B5R0.1 CCCC(=O)Cl 2116-5-09 [2,0,0,0,0,0|1,0,0]=3 69 B5R0.1 CCCC(=O)[O-] 2122-1-X1 [2,0,0,0,0,0|1,0,0]=3 70 B5R0.1 CCCC(C)C 1100-1-04 [2,0,0,0,0,0|0,0,1]=3 71 B5R0.1 CCCC(C)O 2102-1-52 [2,0,0,0,0,0|0,0,2]=4 72 B5R0.1 CCNC(N)=O 4153-1-X1 [2,0,0,0,0,0|2,0,0]=4 73 B5R0.1 COCC(=O)Cl 2116-5-X4 [2,0,0,0,0,0|2,0,0]=4 74 B5R0.1 CSCC(=O)O 6166-1-05 [2,0,0,0,0,0|2,0,0]=4 75 B5R0.1 NC(=O)CCBr 4148-9-00 [2,0,0,0,0,0|2,0,0]=4 76 B5R0.1 NC(=O)CCCl 4148-5-02 [2,0,0,0,0,0|2,0,0]=4 77 B5R0.1 O=C(O)CCO 2129-1-Y8 [2,0,0,0,0,0|1,1,0]=4 78 B5R0.4 CC(C)(C)C=O 2115-1-X3 [2,0,0,0,0,0|1,0,0]=3 79 B5R0.4 CC(C)(C)CCl 1100-5-20 [2,0,0,0,0,0|2,0,0]=4 80 B5R0.4 CC(C)(C)CO 2101-1-08 [2,0,0,0,0,0|1,0,1]=4 81 B5R0.4 CC(C)(Cl)CCl 1100-5-18 [2,0,0,0,0,0|2,0,0]=4 82 B5R0.4 CC(C)(F)CO 2101-3-97 [2,0,0,0,0,0|1,0,1]=4 83 B5R0.4 CC(C)(N)CO 4156-1-X8 [2,0,0,0,0,0|1,0,1]=4 84 B5R0.4 CC(C)(O)CN 4156-1-05 [2,0,0,0,0,0|1,1,0]=4 85 B5R0.4 CC(C)(O)CO 2104-1-09 [2,0,0,0,0,0|0,1,1]=4 86 B5R0.4 CCC(C)(C)C 1100-1-32 [2,0,0,0,0,0|1,0,0]=3 87 B5R0.4 CCC(C)(F)F 1100-3-98 [2,0,0,0,0,0|2,0,0]=4 88 B5R0.4 CNC(C)(C)C 3131-1-X1 [2,0,0,0,0,0|2,0,0]=4 89 B7R0.2 CCC(C)CC(C)N 3130-5-X2 [1,1,0,0,0,0|1,0,1]=4 90 B7R0.2 CNC(=O)CC(C)=O 4148-1-51 [1,1,0,0,0,0|0,1,1]=4 91 B7R0.2 COC(=O)CC(C)=O 2129-1-72 [1,1,0,0,0,0|0,1,1]=4 92 B7R0.2 COC(=O)C[C@@H](C)O 2129-1-36 [1,1,0,0,0,0|0,1,0]=3 93 B7R0.16 CC(=O)C(Cl)C(C)=O 2118-5-01 [1,1,0,0,0,0|0,1,1]=4 94 B7R0.16 CC(C)[C@H](O)C(=O)O 2129-1-S3 [1,1,0,0,0,0|1,0,0]=3 95 B7R0.16 CC(F)C(N)C(=O)O 4157-3-20 [1,1,0,0,0,0|2,0,0]=4 96 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O 4157-1-35 [1,1,0,0,0,0|1,1,0]=4 97 B7R0.13 CC(C)(CF)C(=O)O 2121-3-0B [0,1,0,0,1,0|2,0,0]=4 98 B7R0.13 CC(C)(CN)C(N)=O 4148-1-38 [0,1,0,0,1,0|2,0,0]=4 99 B7R0.13 CCC(C)(O)C(=O)O 2129-1-1P [0,1,0,0,1,0|1,1,0]=4 100 B9R0.25 COC(=O)[C@@H](N)C(C)(C)C 4158-5-SU [0,2,0,0,0,0|1,0,0]=3 101 B9R0.44 CC(C)(C)OC(=O)CC#N 4137-1-12 [0,2,0,0,0,0|2,0,0]=4 102 B9R0.44 CC(C)(C)OC(=O)CCN 4158-1-66 [0,2,0,0,0,0|2,0,0]=4 103 B9R0.44 CCOC(=O)CC(C)(F)F 2123-3-1N [0,2,0,0,0,0|2,0,0]=4 104 B9R0.44 CNCC(=O)OC(C)(C)C 4156-5-0F [0,2,0,0,0,0|2,0,0]=4 105 B9R0.11 CC(=O)OC(C)(C)C(=O)Br 2123-9-0Q [0,2,0,0,0,0|1,1,0]=4 106 B9R0.11 CC(C)(CC(=O)O)C(=O)O 2121-1-16 [0,2,0,0,0,0|1,1,0]=4 107 B9R0.63 COP(=O)(CC(C)=O)OC 6177-1-Y3 [0,2,0,0,0,0|1,1,0]=4 108 B7R1.2 CC1=CC(=O)CC1 2417-1-07 [1,0,0,1,0,0|0,0,2]=4 109 B7R1.2 O=C1CCC(=O)C1 P911-A-79 [1,0,0,1,0,0|0,1,1]=4 110 B7R1.2 O=C1C[C@H](O)CN1 4H20-1-X7 [1,0,0,1,0,0|1,1,0]=4 111 B7R1.12 O=C(O)C1CC1F 2221-3-0B [1,0,0,1,0,0|2,0,0]=4 112 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F 2221-3-25 [1,0,0,1,0,0|2,0,0]=4 113 B7R1.20 O=C(O)CC1CC1 2221-1-X4 [1,0,0,1,0,0|1,0,0]=3 114 B7R1.14 CC1(O)CCCC1 2201-1-01 [1,0,0,1,0,0|0,1,1]=4 115 B7R1.14 CC1(O)CCNC1 4H01-1-5R [1,0,0,1,0,0|1,1,0]=4 116 B7R1.14 CC1(O)CCNC1 4H56-5-0D [1,0,0,1,0,0|1,1,0]=4 117 B7R1.26 CC(C)(C)C1CO1 2109-1-0A [1,0,0,1,0,0|2,0,0]=4 118 B7R1.19 CC1(C(=O)O)CC1 2221-1-X3 [0,0,0,1,1,0|2,0,0]=4 119 B7R1.19 NC1(C(=O)O)CC1 4257-1-X0 [0,0,0,1,1,0|2,0,0]=4 120 B7R1.19 O=C(O)C1(F)CC1 2221-3-18 [0,0,0,1,1,0|2,0,0]=4 121 B7R1.19 O=C(O)C1(O)CC1 2229-1-X2 [0,0,0,1,1,0|1,1,0]=4 122 B9R1.10 CC1(C)C=CC(=O)CC1 2417-1-02 [0,0,0,1,0,1|1,0,1]=4 123 B9R1.10 CC1(C)CCC(=O)CC1 G311-A-56 [0,0,0,1,0,1|1,0,0]=3 124 B9R1.10 O=C1CCC(F)(F)CC1 2217-3-44 [0,0,0,1,0,1|2,0,0]=4 125 B9R1.164 CC1(C)CC(C(=O)O)C1 2221-1-27 [0,0,0,1,0,1|2,0,0]=4 126 B9R1.38 CC1(C)CC(=O)OC1=O 2H26-1-08 [0,1,0,1,0,0|1,1,0]=4 127 B9R1.128 O=C(O)CC1(CS)CC1 6261-1-X0 [0,1,0,1,0,0|1,0,0]=3 128 B5R0.5 C=C(C)C(C)C 1300-1-24 [1,0,0,0,1,0|1,0,0]=3 129 B5R0.5 CC(=O)C(C)=O 2118-1-05 [1,0,0,0,1,0|0,1,1]=4 130 B5R0.5 CC(=O)C(C)C 2117-1-13 [1,0,0,0,1,0|0,0,0]=2 131 B5R0.5 CC(=O)C(C)F 2117-3-11 [1,0,0,0,1,0|1,0,0]=3 132 B5R0.5 CC(=O)C(F)F 2117-3-13 [1,0,0,0,1,0|2,0,0]=4 133 B5R0.5 CC(=O)N(C)C 4148-1-08 [1,0,0,0,1,0|1,0,0]=3 134 B5R0.5 CC(Br)C(N)=O 4157-9-X1 [1,0,0,0,1,0|2,0,0]=4 135 B5R0.5 CC(C)=C(C)C 1300-1-X1 [1,0,0,0,1,0|1,0,1]=4 136 B5R0.5 CC(C)C(=N)N 3141-5-X0 [1,0,0,0,1,0|2,0,0]=4 137 B5R0.5 CC(C)C(=O)Cl 2116-5-05 [1,0,0,0,1,0|1,0,0]=3 138 B5R0.5 CC(F)C(=O)O 2121-3-95 [1,0,0,0,1,0|2,0,0]=4 139 B5R0.5 CC(N)C(N)=O 4158-5-X5 [1,0,0,0,1,0|2,0,0]=4 140 B5R0.5 C[C@@H](Cl)C(=O)O 2121-5-R1 [1,0,0,0,1,0|2,0,0]=4 141 B5R0.5 C[C@@H](O)C(N)=O 4148-1-R1 [1,0,0,0,1,0|1,1,0]=4 142 B5R0.5 C[C@H](N)C(=O)O 4157-1-S5 [1,0,0,0,1,0|2,0,0]=4 143 B5R0.5 C[C@H](N)C(N)=O 4148-5-04 [1,0,0,0,1,0|2,0,0]=4 144 B5R0.5 C[C@H](O)C(=O)O 2129-1-S8 [1,0,0,0,1,0|1,1,0]=4 145 B5R0.5 [C@@H](C)(Cl)C(=O)O 2121-5-S1 [1,0,0,0,1,0|2,0,0]=4 146 B7R0.6 CC(=O)CCC(C)=O 2118-1-25 [1,0,0,0,0,1|0,1,1]=4 147 B7R0.6 CC(=O)OCC(F)F 2123-3-09 [1,0,0,0,0,1|2,0,0]=4 148 B7R0.6 CC(=O)\C=C\C(C)C 2317-1-04 [1,0,0,0,0,1|0,0,1]=3 149 B7R0.6 CC(C)CCC(=O)Cl 2116-5-0A [1,0,0,0,0,1|1,0,0]=3 150 B7R0.6 CC(C)COC(=O)Cl 2123-5-1N [1,0,0,0,0,1|1,0,0]=3 151 B7R0.6 CC(C)OCC(=O)O 2121-1-43 [1,0,0,0,0,1|1,0,0]=3 152 B7R0.6 CC(C)\C=C\C(=O)O 2321-1-13 [1,0,0,0,0,1|1,0,1]=4 153 B7R0.6 CN(C)CCC(=O)O 4158-5-13 [1,0,0,0,0,1|2,0,0]=4