0 B5R0.3 C#CC(O)CC 2502-1-02 [0,0,0,0,0,0|2,0,1]=3 1 B5R0.3 C=C(CCl)CCl 1300-5-X1 [0,0,0,0,0,0|3,0,1]=4 2 B5R0.3 C=C(CO)CO 2304-1-X0 [0,0,0,0,0,0|1,0,1]=2 3 B5R0.3 CCC(=O)CBr 2117-9-01 [0,0,0,0,0,0|2,0,2]=4 4 B5R0.3 CCC(C)C=O 2115-1-0C [0,0,0,0,0,0|2,0,2]=4 5 B5R0.3 CCC(C)CN 3130-1-X5 [0,0,0,0,0,0|3,0,0]=3 6 B5R0.3 CCC(N)CC 3130-1-14 [0,0,0,0,0,0|3,0,0]=3 7 B5R0.3 CCC(N)CO 4156-1-38 [0,0,0,0,0,0|2,0,0]=2 8 B5R0.3 CCC(O)CN 4156-1-Z4 [0,0,0,0,0,0|2,0,0]=2 9 B5R0.3 CC[C@@H](N)CO 4156-1-R4 [0,0,0,0,0,0|2,0,0]=2 10 B5R0.3 CC[C@H](N)CO 4156-1-W2 [0,0,0,0,0,0|2,0,0]=2 11 B5R0.3 COC(=O)CO 2129-1-X2 [0,0,0,0,0,0|2,0,2]=4 12 B5R0.3 ClCC(Br)CBr 1100-D-12 [0,0,0,0,0,0|3,0,0]=3 13 B5R0.3 ClCC(Cl)CCl 1100-5-10 [0,0,0,0,0,0|3,0,0]=3 14 B5R0.3 FCC(Br)CBr 1100-B-28 [0,0,0,0,0,0|3,0,0]=3 15 B5R0.3 NC(CO)CO 4104-1-X0 [0,0,0,0,0,0|1,0,0]=1 16 B5R0.3 NCC(O)CN 4156-1-Y7 [0,0,0,0,0,0|2,0,0]=2 17 B5R0.3 NCC(O)CO 4156-1-Z8 [0,0,0,0,0,0|1,0,0]=1 18 B5R0.3 O=C(CBr)CBr 2117-9-03 [0,0,0,0,0,0|2,0,2]=4 19 B5R0.3 O=C(CF)CF 2117-3-09 [0,0,0,0,0,0|2,0,2]=4 20 B5R0.3 OC(CBr)CBr 2101-9-X1 [0,0,0,0,0,0|2,0,0]=2 21 B5R0.3 OC(CCl)CCl 2102-5-13 [0,0,0,0,0,0|2,0,0]=2 22 B5R0.3 OC(CF)CCl 2102-7-02 [0,0,0,0,0,0|2,0,0]=2 23 B5R0.3 OC(CF)CF 2102-3-13 [0,0,0,0,0,0|2,0,0]=2 24 B5R0.3 OCC(O)CBr 2104-9-01 [0,0,0,0,0,0|1,0,0]=1 25 B5R0.3 OCC(O)CS 6161-1-X4 [0,0,0,0,0,0|0,1,0]=1 26 B4R0.1 C#CC(C)O 2502-1-01 [1,0,0,0,0,0|1,0,1]=3 27 B4R0.1 C#C[C@@H](C)O 2502-1-R1 [1,0,0,0,0,0|1,0,1]=3 28 B4R0.1 C=C(C)CBr 1300-9-00 [1,0,0,0,0,0|2,0,1]=4 29 B4R0.1 C=C(C)CC 1300-1-21 [1,0,0,0,0,0|2,0,1]=4 30 B4R0.1 C=C(C)CN 3330-1-X1 [1,0,0,0,0,0|2,0,1]=4 31 B4R0.1 C=C(C)CN 3330-5-X0 [1,0,0,0,0,0|2,0,1]=4 32 B4R0.1 C=C(Cl)CO 2301-5-02 [1,0,0,0,0,0|1,0,2]=4 33 B4R0.1 C=C(Cl)CO 2301-5-02T [1,0,0,0,0,0|1,0,2]=4 34 B4R0.1 C=C(F)CO 2301-3-03 [1,0,0,0,0,0|1,0,2]=4 35 B4R0.1 C=CC(C)C 1300-1-26 [1,0,0,0,0,0|2,0,1]=4 36 B4R0.1 C=CC(C)Cl 1300-5-41 [1,0,0,0,0,0|2,0,1]=4 37 B4R0.1 CC(=O)CF 2117-3-10 [1,0,0,0,0,0|1,0,2]=4 38 B4R0.1 CC(=O)CO 2120-1-01 [1,0,0,0,0,0|0,0,2]=3 39 B4R0.1 CC(C)C#N 3137-1-Y4 [1,0,0,0,0,0|2,0,1]=4 40 B4R0.1 CC(C)C=O 2115-1-13 [1,0,0,0,0,0|1,0,2]=4 41 B4R0.1 CC(C)NN 3139-5-X2 [1,0,0,0,0,0|3,0,0]=4 42 B4R0.1 CC(C)[Mg]Cl 9112-5-04 [1,0,0,0,0,0|3,0,0]=4 43 B4R0.1 CC(F)CO 2101-3-64 [1,0,0,0,0,0|1,0,0]=2 44 B4R0.1 CC(N)CO 4156-1-92 [1,0,0,0,0,0|1,0,0]=2 45 B4R0.1 CC(O)CF 2102-3-12 [1,0,0,0,0,0|1,0,0]=2 46 B4R0.1 CC(O)CO 2104-1-12 [1,0,0,0,0,0|0,0,0]=1 47 B4R0.1 CCB(O)O 6160-1-X1 [1,0,0,0,0,0|2,0,0]=3 48 B4R0.1 CCC(C)Cl 1100-5-25 [1,0,0,0,0,0|2,0,0]=3 49 B4R0.1 CCC(C)F 1100-3-47 [1,0,0,0,0,0|2,0,0]=3 50 B4R0.1 CCC(C)I 1100-H-X6 [1,0,0,0,0,0|2,0,0]=3 51 B4R0.1 CC[C@@H](C)O 2101-1-R1 [1,0,0,0,0,0|1,0,0]=2 52 B4R0.1 C[C@@H](N)CO 4156-1-R3 [1,0,0,0,0,0|1,0,0]=2 53 B4R0.1 C[C@@H](O)CN 4156-1-R2 [1,0,0,0,0,0|1,0,0]=2 54 B4R0.1 C[C@@H](O)CO 2104-1-R3 [1,0,0,0,0,0|0,0,0]=1 55 B4R0.1 C[C@H](O)CN 4156-1-S2 [1,0,0,0,0,0|1,0,0]=2 56 B4R0.1 C[C@H](O)CO 2104-1-S3 [1,0,0,0,0,0|0,0,0]=1 57 B4R0.1 C\C(N)=N\O 4147-1-X0 [1,0,0,0,0,0|2,0,1]=4 58 B4R0.1 ClCC(Cl)Cl 1100-5-X2 [1,0,0,0,0,0|3,0,0]=4 59 B4R0.1 FC(Cl)CCl 1100-7-28 [1,0,0,0,0,0|3,0,0]=4 60 B4R0.1 FC(F)CBr 1100-B-07 [1,0,0,0,0,0|3,0,0]=4 61 B4R0.1 FC(F)CI 1100-K-32 [1,0,0,0,0,0|3,0,0]=4 62 B4R0.1 NCC(F)F 3130-3-03 [1,0,0,0,0,0|3,0,0]=4 63 B4R0.1 NCC(F)F 3130-7-03 [1,0,0,0,0,0|3,0,0]=4 64 B4R0.1 O=C(O)CBr 2121-9-01 [1,0,0,0,0,0|1,0,2]=4 65 B4R0.1 O=C(O)CI 2121-H-00 [1,0,0,0,0,0|1,0,2]=4 66 B4R0.1 O=C(O)CO 2129-1-20 [1,0,0,0,0,0|0,0,2]=3 67 B4R0.1 O=S([O-])CO 6165-1-06 [1,0,0,0,0,0|1,0,2]=4 68 B4R0.1 OCC(F)F 2101-3-02 [1,0,0,0,0,0|2,0,0]=3 69 B4R0.1 [C@@H](C)(N)CC 3130-1-S1 [1,0,0,0,0,0|2,0,0]=3 70 B4R0.1 [C@@H](C)(N)CO 4156-1-Y5 [1,0,0,0,0,0|1,0,0]=2 71 B4R0.1 [C@H](C)(N)CC 3130-1-R1 [1,0,0,0,0,0|2,0,0]=3 72 B4R0.2 BrCCCBr 1100-9-13 [1,0,0,0,0,0|2,0,0]=3 73 B4R0.2 C#CCCC 1500-1-X1 [1,0,0,0,0,0|2,0,1]=4 74 B4R0.2 C#CCCO P311-A-35 [1,0,0,0,0,0|1,0,1]=3 75 B4R0.2 C=CCCBr 1300-9-04 [1,0,0,0,0,0|2,0,1]=4 76 B4R0.2 C=CCCC 1300-1-09 [1,0,0,0,0,0|2,0,1]=4 77 B4R0.2 CC#CCO 2501-1-04 [1,0,0,0,0,0|1,0,2]=4 78 B4R0.2 CCCC#N 3137-1-Y3 [1,0,0,0,0,0|2,0,1]=4 79 B4R0.2 CCCCBr 1100-9-15 [1,0,0,0,0,0|2,0,0]=3 80 B4R0.2 CCCCF 1100-3-32 [1,0,0,0,0,0|2,0,0]=3 81 B4R0.2 CCNCC 3133-5-06 [1,0,0,0,0,0|3,0,0]=4 82 B4R0.2 CCOCC 6160-3-09 [1,0,0,0,0,0|3,0,0]=4 83 B4R0.2 CCOCCl 2107-5-01 [1,0,0,0,0,0|3,0,0]=4 84 B4R0.2 CNCCCl 3133-5-05 [1,0,0,0,0,0|3,0,0]=4 85 B4R0.2 CNCCN 3131-1-11 [1,0,0,0,0,0|3,0,0]=4 86 B4R0.2 CNCCO 4156-1-3Y [1,0,0,0,0,0|2,0,0]=3 87 B4R0.2 COCCBr 2107-9-X1 [1,0,0,0,0,0|3,0,0]=4 88 B4R0.2 COCCCl 2107-5-0R [1,0,0,0,0,0|3,0,0]=4 89 B4R0.2 COCCN 4130-1-X3 [1,0,0,0,0,0|3,0,0]=4 90 B4R0.2 CSCCN 7166-1-X1 [1,0,0,0,0,0|3,0,0]=4 91 B4R0.2 ClCCCCl 1100-5-19 [1,0,0,0,0,0|2,0,0]=3 92 B4R0.2 ClCCCI 1100-M-01 [1,0,0,0,0,0|2,0,0]=3 93 B4R0.2 FCCCF 1100-3-16 [1,0,0,0,0,0|2,0,0]=3 94 B4R0.2 FCCCI 1100-K-35 [1,0,0,0,0,0|2,0,0]=3 95 B4R0.2 ICCCI 1100-H-X0 [1,0,0,0,0,0|2,0,0]=3 96 B4R0.2 N#CCCO 4137-1-Y3 [1,0,0,0,0,0|1,0,1]=3 97 B4R0.2 NCCCBr 3130-9-X0 [1,0,0,0,0,0|2,0,0]=3 98 B4R0.2 NCCCCl 3130-5-03 [1,0,0,0,0,0|2,0,0]=3 99 B4R0.2 NCCCF 3130-7-13 [1,0,0,0,0,0|2,0,0]=3 100 B4R0.2 NNCCO 4139-1-01 [1,0,0,0,0,0|2,0,0]=3 101 B4R0.2 OCCCBr 2101-9-X2 [1,0,0,0,0,0|1,0,0]=2 102 B4R0.2 OCCCCl 2101-5-13 [1,0,0,0,0,0|1,0,0]=2 103 B4R0.2 OCCCF 2101-3-50 [1,0,0,0,0,0|1,0,0]=2 104 B4R0.2 OCCCI 2101-H-01 [1,0,0,0,0,0|1,0,0]=2 105 B4R0.2 OCCCO 2104-1-11 [1,0,0,0,0,0|0,0,0]=1 106 B6R0.1 CCCC(C)CCl 1100-5-0A [0,1,0,0,0,0|3,0,0]=4 107 B6R0.1 CCCC(O)CO 2104-1-0A [0,1,0,0,0,0|1,0,0]=2 108 B6R0.1 COCC(O)CO 2107-1-11 [0,1,0,0,0,0|0,0,0]=1 109 B6R0.1 OCC[C@H](O)CO 2104-1-S1 [0,1,0,0,0,0|0,0,0]=1 110 B6R0.3 CC(C)C(N)CO 4156-1-88 [0,1,0,0,0,0|2,0,0]=3 111 B6R0.3 CC(C)[C@@H](N)CO 4156-1-R5 [0,1,0,0,0,0|2,0,0]=3 112 B6R0.3 CC(C)[C@H](N)CO 4156-1-S5 [0,1,0,0,0,0|2,0,0]=3 113 B6R0.3 CCC(Br)C(C)Br 1100-9-10 [0,1,0,0,0,0|3,0,0]=4 114 B6R0.3 CCC(N)C(=O)O 4157-1-16 [0,1,0,0,0,0|2,0,1]=4 115 B6R0.3 CC[C@H](O)C(=O)O 2129-1-SF [0,1,0,0,0,0|1,0,1]=3 116 B6R0.3 NCC(F)C(=O)O 4157-3-02 [0,1,0,0,0,0|2,0,1]=4 117 B6R0.3 N[C@@H](CS)C(=O)O 8158-1-01 [0,1,0,0,0,0|1,1,1]=4 118 B6R0.3 OC[C@@H](O)C(F)F 2104-3-R0 [0,1,0,0,0,0|1,0,0]=2 119 B6R0.3 [C@@H](N)(CC)C(=O)O 4157-1-X5 [0,1,0,0,0,0|2,0,1]=4 120 B6R0.3 [C@H](N)(CC)C(=O)O 4157-1-X4 [0,1,0,0,0,0|2,0,1]=4 121 B6R0.8 CC(C)(CN)CN 3130-1-X8 [0,1,0,0,0,0|3,0,0]=4 122 B6R0.8 CC(C)(CO)CO 2104-1-37 [0,1,0,0,0,0|1,0,0]=2 123 B6R0.8 CC(N)(CO)CO 4156-1-0R [0,1,0,0,0,0|1,0,0]=2 124 B6R0.8 ClCC(Cl)(Br)CBr 1100-D-23 [0,1,0,0,0,0|3,0,0]=4 125 B6R0.8 ClCC(Cl)(Cl)CCl 1100-5-23 [0,1,0,0,0,0|3,0,0]=4 126 B6R0.8 FCC(Cl)(Br)CBr 1100-F-18 [0,1,0,0,0,0|3,0,0]=4 127 B6R0.8 NCC(F)(F)CO 4156-3-13 [0,1,0,0,0,0|2,0,0]=3 128 B6R0.8 OCC(F)(F)CO 2105-3-02 [0,1,0,0,0,0|1,0,0]=2 129 B6R0.9 CCC(CC)CN 3130-1-X0 [0,1,0,0,0,0|3,0,0]=4 130 B6R0.9 CCC(CC)NC 3131-5-01 [0,1,0,0,0,0|3,0,0]=4 131 B6R0.9 COC(CN)OC 4156-1-Z7 [0,1,0,0,0,0|3,0,0]=4 132 B6R1.2 BrC1CCCC1 1200-9-01 [0,0,0,1,0,0|3,0,0]=4 133 B6R1.2 CC1CCCC1 1200-1-07 [0,0,0,1,0,0|3,0,0]=4 134 B6R1.2 CC1CCNC1 3H31-5-95 [0,0,0,1,0,0|3,0,0]=4 135 B6R1.2 C[C@H]1CCNC1 3H31-5-S5 [0,0,0,1,0,0|3,0,0]=4 136 B6R1.2 ClC1CCCC1 1200-5-02 [0,0,0,1,0,0|3,0,0]=4 137 B6R1.2 FC1CCNC1 3H31-3-64 [0,0,0,1,0,0|3,0,0]=4 138 B6R1.2 F[C@@H]1CCNC1 3H31-3-R2 [0,0,0,1,0,0|3,0,0]=4 139 B6R1.2 F[C@@H]1CCNC1 3H31-7-05 [0,0,0,1,0,0|3,0,0]=4 140 B6R1.2 F[C@H]1CCNC1 3H31-3-S2 [0,0,0,1,0,0|3,0,0]=4 141 B6R1.2 F[C@H]1CCNC1 3H31-7-X5 [0,0,0,1,0,0|3,0,0]=4 142 B6R1.2 NC1CCOC1 4H30-1-07 [0,0,0,1,0,0|2,0,0]=3 143 B6R1.2 NC1CCOC1 4H56-5-2A [0,0,0,1,0,0|2,0,0]=3 144 B6R1.2 N[C@@H]1CCOC1 4H56-1-R04 [0,0,0,1,0,0|2,0,0]=3 145 B6R1.2 N[C@@H]1CCOC1 4H56-5-R0 [0,0,0,1,0,0|2,0,0]=3 146 B6R1.2 N[C@H]1CCOC1 4H56-1-S13 [0,0,0,1,0,0|2,0,0]=3 147 B6R1.2 O=C1CCOC1 2H17-1-Y1 [0,0,0,1,0,0|1,0,2]=4 148 B6R1.2 OC1CC=CC1 2402-1-00 [0,0,0,1,0,0|2,0,0]=3 149 B6R1.2 OC1CCNC1 4H01-5-23 [0,0,0,1,0,0|2,0,0]=3 150 B6R1.2 OC1CCNC1 4H56-1-831 [0,0,0,1,0,0|2,0,0]=3 151 B6R1.2 OC1CCOC1 2H10-1-87 [0,0,0,1,0,0|1,0,0]=2 152 B6R1.2 O[C@@H]1CCNC1 4H01-1-M0 [0,0,0,1,0,0|2,0,0]=3 153 B6R1.2 O[C@@H]1CCNC1 4H56-1-R3 [0,0,0,1,0,0|2,0,0]=3 154 B6R1.2 O[C@@H]1CCOC1 2H01-1-Y2 [0,0,0,1,0,0|1,0,0]=2 155 B6R1.2 O[C@H]1CCNC1 4H01-1-M4 [0,0,0,1,0,0|2,0,0]=3 156 B6R1.2 O[C@H]1CCNC1 4H56-5-J2 [0,0,0,1,0,0|2,0,0]=3 157 B6R1.2 O[C@H]1CCOC1 G311-A-08 [0,0,0,1,0,0|1,0,0]=2 158 B6R1.6 BrCC1CCC1 1200-9-21 [0,0,0,1,0,0|3,0,0]=4 159 B6R1.6 NCC1CCC1 3230-5-03 [0,0,0,1,0,0|3,0,0]=4 160 B6R1.6 NCC1CNC1 3H30-5-8B [0,0,0,1,0,0|3,0,0]=4 161 B6R1.6 OCC1COC1 2H10-1-44 [0,0,0,1,0,0|1,0,0]=2 162 B6R1.7 CC1(CCl)CO1 2110-5-X1 [0,0,0,1,0,0|2,0,0]=3 163 B3R0.1 BrCCI 1100-S-04 [2,0,0,0,0,0|2,0,0]=4 164 B3R0.1 C#CCC 1500-1-05 [2,0,0,0,0,0|1,0,1]=4 165 B3R0.1 C=CCC 1300-1-25 [2,0,0,0,0,0|1,0,1]=4 166 B3R0.1 CCC=O 2115-1-05 [2,0,0,0,0,0|0,0,2]=4 167 B3R0.1 CCCBr 1100-9-37 [2,0,0,0,0,0|1,0,0]=3 168 B3R0.1 CCCC 1100-1-X0 [2,0,0,0,0,0|1,0,0]=3 169 B3R0.1 CCCCl 1100-5-01 [2,0,0,0,0,0|1,0,0]=3 170 B3R0.1 CCCI 1100-H-X9 [2,0,0,0,0,0|1,0,0]=3 171 B3R0.1 CCNN 3139-5-05 [2,0,0,0,0,0|2,0,0]=4 172 B3R0.1 COCBr 2107-9-01 [2,0,0,0,0,0|2,0,0]=4 173 B3R0.1 ClCCCl 1100-5-15 [2,0,0,0,0,0|2,0,0]=4 174 B3R0.1 ClCCI 1100-M-00 [2,0,0,0,0,0|2,0,0]=4 175 B3R0.1 FCCCl 1100-7-05 [2,0,0,0,0,0|2,0,0]=4 176 B3R0.1 FCCI 1100-K-18 [2,0,0,0,0,0|2,0,0]=4 177 B3R0.1 NCCBr 3130-9-X1 [2,0,0,0,0,0|2,0,0]=4 178 B3R0.1 NCCCl 3130-5-01 [2,0,0,0,0,0|2,0,0]=4 179 B3R0.1 NCCF 3130-7-04 [2,0,0,0,0,0|2,0,0]=4 180 B3R0.1 NCCS 7161-5-01 [2,0,0,0,0,0|1,1,0]=4 181 B3R0.1 OCCBr 2101-9-02 [2,0,0,0,0,0|1,0,0]=3 182 B3R0.2 C=C(C)C 1300-1-06 [2,0,0,0,0,0|1,0,1]=4 183 B3R0.2 CB(O)O 6160-1-X6 [2,0,0,0,0,0|1,0,0]=3 184 B3R0.2 CC(=O)O 4141-1-X0 [2,0,0,0,0,0|0,0,2]=4 185 B3R0.2 CC(C)Br 1100-9-02 [2,0,0,0,0,0|1,0,0]=3 186 B3R0.2 CC(C)C 1100-1-19 [2,0,0,0,0,0|1,0,0]=3 187 B3R0.2 CC(C)I 1100-H-03 [2,0,0,0,0,0|1,0,0]=3 188 B3R0.2 CC(C)N 3130-5-X1 [2,0,0,0,0,0|1,0,0]=3 189 B3R0.2 CC(Cl)Cl 1100-5-12 [2,0,0,0,0,0|2,0,0]=4 190 B3R0.2 CC(F)Br 1100-B-20 [2,0,0,0,0,0|2,0,0]=4 191 B3R0.2 CC(F)Cl 1100-7-04SM [2,0,0,0,0,0|2,0,0]=4 192 B3R0.2 CC(F)F 1100-3-05 [2,0,0,0,0,0|2,0,0]=4 193 B3R0.2 CN(C)C 3132-1-05 [2,0,0,0,0,0|2,0,0]=4 194 B3R0.2 CN(C)C 8132-1-X0 [2,0,0,0,0,0|2,0,0]=4 195 B3R0.2 C[S+](C)C 5171-H-01 [2,0,0,0,0,0|2,0,0]=4 196 B5R0.1 C=CCC(C)O 2302-1-00 [1,1,0,0,0,0|1,0,0]=3 197 B5R0.1 CC(C)CCI 1100-H-X4 [1,1,0,0,0,0|2,0,0]=4 198 B5R0.1 CC(C)CCN 3130-1-X4 [1,1,0,0,0,0|2,0,0]=4 199 B5R0.1 CC(C)CCO 2101-1-53 [1,1,0,0,0,0|1,0,0]=3 200 B5R0.1 CC(C)CNN 3139-5-X0 [1,1,0,0,0,0|2,0,0]=4 201 B5R0.1 CC(N)CCO 4156-1-4D [1,1,0,0,0,0|1,0,0]=3 202 B5R0.1 CCCB(O)O 6160-1-X5 [1,1,0,0,0,0|2,0,0]=4 203 B5R0.1 CCCC(C)C 1100-1-04 [1,1,0,0,0,0|2,0,0]=4 204 B5R0.1 CCCC(C)O 2102-1-52 [1,1,0,0,0,0|1,0,0]=3 205 B5R0.1 C[C@@H](N)CCO 4156-1-RB [1,1,0,0,0,0|1,0,0]=3 206 B5R0.1 C[C@@H](O)CCO 2101-1-X0 [1,1,0,0,0,0|0,0,0]=2 207 B5R0.1 O=C(O)CCO 2129-1-Y8 [1,1,0,0,0,0|0,0,2]=4 208 B5R0.4 CC(C)(C)CCl 1100-5-20 [1,1,0,0,0,0|2,0,0]=4 209 B5R0.4 CC(C)(C)CO 2101-1-08 [1,1,0,0,0,0|1,0,0]=3 210 B5R0.4 CC(C)(C)NO 4147-5-X0 [1,1,0,0,0,0|2,0,0]=4 211 B5R0.4 CC(C)(Cl)CCl 1100-5-18 [1,1,0,0,0,0|2,0,0]=4 212 B5R0.4 CC(C)(F)CO 2101-3-97 [1,1,0,0,0,0|1,0,0]=3 213 B5R0.4 CC(C)(N)CO 4156-1-X8 [1,1,0,0,0,0|1,0,0]=3 214 B5R0.4 CC(C)(O)CN 4156-1-05 [1,1,0,0,0,0|1,0,0]=3 215 B5R0.4 CC(C)(O)CO 2104-1-09 [1,1,0,0,0,0|0,0,0]=2 216 B5R0.4 CC(F)(Cl)CCl 1100-7-49 [1,1,0,0,0,0|2,0,0]=4 217 B5R0.4 CC(F)(F)CCl 1100-7-64 [1,1,0,0,0,0|2,0,0]=4 218 B5R0.4 CC(F)(F)CN 3130-7-22 [1,1,0,0,0,0|2,0,0]=4 219 B5R0.4 CC(F)(F)CO 2101-3-52 [1,1,0,0,0,0|1,0,0]=3 220 B5R0.4 CCC(C)(C)C 1100-1-32 [1,1,0,0,0,0|2,0,0]=4 221 B5R0.4 CCC(C)(F)F 1100-3-98 [1,1,0,0,0,0|2,0,0]=4 222 B5R0.4 OCC(Br)(Br)Br 2101-9-06 [1,1,0,0,0,0|2,0,0]=4 223 B5R0.4 OCC(Cl)(Cl)Cl 2101-5-03 [1,1,0,0,0,0|2,0,0]=4 224 B5R0.4 OCC(F)(Cl)Cl 2101-7-02 [1,1,0,0,0,0|2,0,0]=4 225 B5R0.4 OCC(F)(F)F 2101-3-03 [1,1,0,0,0,0|2,0,0]=4 226 B5R0.5 CC(C)B(O)O 6160-1-X0 [1,1,0,0,0,0|2,0,0]=4 227 B5R0.5 CC(Cl)C(Cl)Cl 1100-5-31 [1,1,0,0,0,0|2,0,0]=4 228 B5R0.5 CC(F)C(=O)O 2121-3-95 [1,1,0,0,0,0|1,0,1]=4 229 B5R0.5 CC(O)C(C)O 2104-1-07 [1,1,0,0,0,0|0,0,0]=2 230 B5R0.5 C[C@@H](Cl)C(=O)O 2121-5-R1 [1,1,0,0,0,0|1,0,1]=4 231 B5R0.5 C[C@@H](O)C(N)=O 4148-1-R1 [1,1,0,0,0,0|0,0,2]=4 232 B5R0.5 C[C@@H](O)[C@@H](C)O 2104-1-R1 [1,1,0,0,0,0|0,0,0]=2 233 B5R0.5 C[C@H](N)C(=O)O 4157-1-S5 [1,1,0,0,0,0|1,0,1]=4 234 B5R0.5 C[C@H](O)C(=O)O 2129-1-S8 [1,1,0,0,0,0|0,0,1]=3 235 B5R0.5 C[C@H](O)[C@H](C)O 2104-1-X2 [1,1,0,0,0,0|0,0,0]=2 236 B5R0.5 OB(O)B(O)O M005-1-X1 [1,1,0,0,0,0|2,0,0]=4 237 B5R0.5 [C@@H](C)(Cl)C(=O)O 2121-5-S1 [1,1,0,0,0,0|1,0,1]=4 238 B5R0.2 BrCCCCBr 1100-9-14 [1,1,0,0,0,0|2,0,0]=4 239 B5R0.2 C#CCCCC 1500-1-X2 [1,1,0,0,0,0|2,0,0]=4 240 B5R0.2 C#CCCCCl 1500-5-X0 [1,1,0,0,0,0|2,0,0]=4 241 B5R0.2 C#CCCCO 2501-1-01 [1,1,0,0,0,0|1,0,0]=3 242 B5R0.2 C=CCCCBr 1300-9-13 [1,1,0,0,0,0|2,0,0]=4 243 B5R0.2 C=CCCCC 1300-1-48 [1,1,0,0,0,0|2,0,0]=4 244 B5R0.2 CCC#CCO 2501-1-13 [1,1,0,0,0,0|1,0,1]=4 245 B5R0.2 CCCCC=O 2115-1-00 [1,1,0,0,0,0|1,0,1]=4 246 B5R0.2 CCCCCC 1100-1-18 [1,1,0,0,0,0|2,0,0]=4 247 B5R0.2 CCCCCF 1100-3-65 [1,1,0,0,0,0|2,0,0]=4 248 B5R0.2 CCCCCN 3130-1-X6 [1,1,0,0,0,0|2,0,0]=4 249 B5R0.2 CCNCCN 3130-1-X2 [1,1,0,0,0,0|2,0,0]=4 250 B5R0.2 CCSCCCl 5166-5-01 [1,1,0,0,0,0|2,0,0]=4 251 B5R0.2 COCCCBr 2107-9-02 [1,1,0,0,0,0|1,0,0]=3 252 B5R0.2 COCCOC 2108-1-00 [1,1,0,0,0,0|2,0,0]=4 253 B5R0.2 CSCCCN 8166-1-X3 [1,1,0,0,0,0|1,1,0]=4 254 B5R0.2 ClCCCCI 1100-M-14 [1,1,0,0,0,0|2,0,0]=4 255 B5R0.2 FCCCCBr 1100-B-22 [1,1,0,0,0,0|2,0,0]=4 256 B5R0.2 ICCCCI 1100-H-14 [1,1,0,0,0,0|2,0,0]=4 257 B5R0.2 OCCCCF 2101-3-1V [1,1,0,0,0,0|1,0,0]=3 258 B5R0.2 SCCCCS 5161-1-05 [1,1,0,0,0,0|0,2,0]=4 259 B7R0.2 CN(C)CC(O)CO 4156-1-0H [0,2,0,0,0,0|1,0,0]=3 260 B7R0.5 COCC(Cl)C(=O)O 2121-5-X1 [0,2,0,0,0,0|1,0,1]=4 261 B7R0.5 COC[C@H](N)C(=O)O 4157-5-S0 [0,2,0,0,0,0|1,0,1]=4 262 B7R0.5 N[C@@H](CCO)C(=O)O 4157-1-SQ [0,2,0,0,0,0|1,0,1]=4 263 B7R0.10 OC[C@H](O)[C@@H](O)CO 2105-1-0A [0,2,0,0,0,0|0,0,0]=2 264 B7R0.13 CCC(C)(O)C(=O)O 2129-1-1P [0,2,0,0,0,0|1,0,1]=4 265 B7R0.13 OCC(F)(F)C(F)F 2101-3-10 [0,2,0,0,0,0|2,0,0]=4 266 B7R0.14 CC(C)(C)[C@@H](N)CO G311-A-12 [0,2,0,0,0,0|2,0,0]=4 267 B7R0.14 CCC(O)C(F)(F)F 2102-3-05 [0,2,0,0,0,0|2,0,0]=4 268 B7R0.14 NCC(O)C(F)(F)F 4156-3-32 [0,2,0,0,0,0|2,0,0]=4 269 B7R0.14 NCC(O)C(F)(F)F 4156-7-02 [0,2,0,0,0,0|2,0,0]=4 270 B7R0.14 OC(CBr)C(F)(F)F 2102-B-01 [0,2,0,0,0,0|2,0,0]=4 271 B7R0.14 OCC(Br)C(F)(F)F 2101-B-23 [0,2,0,0,0,0|2,0,0]=4 272 B7R0.14 OCC(O)C(F)(F)F 2104-3-13 [0,2,0,0,0,0|1,0,0]=3 273 B7R0.16 CC(C)[C@H](O)C(=O)O 2129-1-S3 [0,2,0,0,0,0|1,0,1]=4 274 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O 4157-1-35 [0,2,0,0,0,0|1,0,1]=4 275 B5R1.2 BrC1CCC1 1200-9-17 [1,0,0,1,0,0|2,0,0]=4 276 B5R1.2 BrC1COC1 2H10-9-07 [1,0,0,1,0,0|1,0,0]=3 277 B5R1.2 FC1CNC1 3231-7-01 [1,0,0,1,0,0|2,0,0]=4 278 B5R1.2 IC1COC1 2H10-H-05 [1,0,0,1,0,0|1,0,0]=3 279 B5R1.2 NC1CCC1 3230-1-X4 [1,0,0,1,0,0|2,0,0]=4 280 B5R1.2 NC1CNC1 3H30-5-38 [1,0,0,1,0,0|2,0,0]=4 281 B5R1.2 O=C1COC1 2H17-1-05 [1,0,0,1,0,0|0,0,2]=4 282 B5R1.2 OC1CNC1 4H01-5-63 [1,0,0,1,0,0|1,0,0]=3 283 B5R1.2 OC1COC1 2H01-1-X3 [1,0,0,1,0,0|0,0,0]=2 284 B5R1.3 BrCC1CC1 1200-9-X0 [1,0,0,1,0,0|2,0,0]=4 285 B5R1.3 C=CC1CO1 2309-1-02 [1,0,0,1,0,0|1,0,1]=4 286 B5R1.3 ClCC1CC1 1200-5-01 [1,0,0,1,0,0|2,0,0]=4 287 B5R1.3 ClCC1CO1 2109-5-01 [1,0,0,1,0,0|1,0,0]=3 288 B5R1.3 ClC[C@@H]1CO1 2109-5-X0 [1,0,0,1,0,0|1,0,0]=3 289 B5R1.3 ClC[C@H]1CO1 2109-5-X1 [1,0,0,1,0,0|1,0,0]=3 290 B5R1.3 FCC1CO1 2109-3-20 [1,0,0,1,0,0|1,0,0]=3 291 B5R1.3 ICC1CC1 1200-H-04 [1,0,0,1,0,0|2,0,0]=4 292 B5R1.3 NCC1CC1 P911-A-36 [1,0,0,1,0,0|2,0,0]=4 293 B5R1.3 OCC1CC1 2301-1-X2 [1,0,0,1,0,0|1,0,0]=3 294 B5R1.3 OC[C@@H]1CO1 2109-1-R2 [1,0,0,1,0,0|0,0,0]=2 295 B5R1.3 OC[C@H]1CO1 2109-1-S1 [1,0,0,1,0,0|0,0,0]=2 296 B5R1.4 C[C@@H]1O[C@@H]1C 2109-1-Z0 [1,0,0,1,0,0|1,0,0]=3 297 B5R1.4 C[C@@H]1O[C@H]1C 2109-1-E0 [1,0,0,1,0,0|1,0,0]=3 298 B5R1.5 CC1(C)CO1 2109-1-03 [1,0,0,1,0,0|1,0,0]=3 299 B5R1.5 CC1(N)CC1 3230-5-01 [1,0,0,1,0,0|2,0,0]=4 300 B5R1.1 C1=CCCC1 1400-1-05 [1,0,0,1,0,0|2,0,0]=4 301 B5R1.1 C1=COCC1 2H10-1-X7 [1,0,0,1,0,0|1,0,1]=4 302 B5R1.1 C1CCCC1 1200-1-05 [1,0,0,1,0,0|2,0,0]=4 303 B5R1.1 C1CCNC1 3H31-1-Z9 [1,0,0,1,0,0|2,0,0]=4 304 B5R1.1 C1CCOC1 6H60-1-13 [1,0,0,1,0,0|1,0,0]=3 305 B7R1.1 BrCC1OCCO1 2H10-9-X1 [0,1,0,1,0,0|2,0,0]=4 306 B7R1.1 COC1CCCC1 2207-1-01 [0,1,0,1,0,0|2,0,0]=4 307 B7R1.1 ClCC1OCCO1 2608-5-0A [0,1,0,1,0,0|2,0,0]=4 308 B7R1.1 N#CC1CCOC1 3H37-1-4Z [0,1,0,1,0,0|2,0,0]=4 309 B7R1.1 NCC1CCOC1 4H56-1-Q2 [0,1,0,1,0,0|2,0,0]=4 310 B7R1.1 NCC1CCOC1 4H56-5-60 [0,1,0,1,0,0|2,0,0]=4 311 B7R1.1 O=CC1CCOC1 2H15-1-1K [0,1,0,1,0,0|1,0,1]=4 312 B7R1.1 OCC1CC=CC1 2401-1-06 [0,1,0,1,0,0|2,0,0]=4 313 B7R1.1 OCC1CCCC1 2301-1-X3 [0,1,0,1,0,0|2,0,0]=4 314 B7R1.1 OCC1CCCN1 4H01-1-95 [0,1,0,1,0,0|2,0,0]=4 315 B7R1.1 OCC1CCNC1 4H56-5-0C [0,1,0,1,0,0|2,0,0]=4 316 B7R1.1 OCC1CCOC1 2H10-1-34 [0,1,0,1,0,0|1,0,0]=3 317 B7R1.1 OC[C@@H]1CCCN1 4H01-1-M2 [0,1,0,1,0,0|2,0,0]=4 318 B7R1.1 OC[C@@H]1CCCO1 2H01-1-04 [0,1,0,1,0,0|1,0,0]=3 319 B7R1.1 OC[C@@H]1CCNC1 4H56-1-R0 [0,1,0,1,0,0|2,0,0]=4 320 B7R1.1 [C@H]1(CO)CCCN1 4H56-1-L1 [0,1,0,1,0,0|2,0,0]=4 321 B7R1.2 CN1CCC(O)C1 4H56-1-Z4 [0,1,0,1,0,0|2,0,0]=4 322 B7R1.2 CN1CC[C@@H](O)C1 4H56-1-R1 [0,1,0,1,0,0|2,0,0]=4 323 B7R1.2 CN1CC[C@H](O)C1 4H56-1-S4 [0,1,0,1,0,0|2,0,0]=4 324 B7R1.2 O=C1C[C@H](O)CN1 4H20-1-X7 [0,1,0,1,0,0|1,0,1]=4 325 B7R1.3 BrC1CCOCC1 2H10-9-19 [0,1,0,1,0,0|2,0,0]=4 326 B7R1.3 CC1COCCN1 4H56-1-98 [0,1,0,1,0,0|2,0,0]=4 327 B7R1.3 C[C@@H]1COCCN1 4H56-1-9Y [0,1,0,1,0,0|2,0,0]=4 328 B7R1.3 C[C@@H]1COCCN1 4H56-5-CX [0,1,0,1,0,0|2,0,0]=4 329 B7R1.3 IC1CCOCC1 2H10-H-X0 [0,1,0,1,0,0|2,0,0]=4 330 B7R1.3 NC1CCOCC1 G311-A-59 [0,1,0,1,0,0|2,0,0]=4 331 B7R1.3 NC1CCOCC1 P911-A-50 [0,1,0,1,0,0|2,0,0]=4 332 B7R1.3 OC1CCCNC1 4H56-5-90 [0,1,0,1,0,0|2,0,0]=4 333 B7R1.3 OC1CCCOC1 2H10-1-41 [0,1,0,1,0,0|1,0,0]=3 334 B7R1.3 OC1CCNCC1 4H56-1-UJ [0,1,0,1,0,0|2,0,0]=4 335 B7R1.3 OC1CCOCC1 2H10-1-Y4 [0,1,0,1,0,0|1,0,0]=3 336 B7R1.3 O[C@@H]1CCCNC1 4H56-5-R4 [0,1,0,1,0,0|2,0,0]=4 337 B7R1.3 O[C@H]1CCCNC1 4H56-1-SD [0,1,0,1,0,0|2,0,0]=4 338 B7R1.3 [C@H]1(O)CCCNC1 4H56-5-L3 [0,1,0,1,0,0|2,0,0]=4 339 B7R1.3 [NH3+]C1CCOCC1 4H30-1-Y9 [0,1,0,1,0,0|2,0,0]=4 340 B7R1.25 CC1(CO)COC1 2H10-1-54 [0,1,0,1,0,0|1,0,0]=3 341 B7R1.19 O=C(O)C1(O)CC1 2229-1-X2 [0,1,0,1,0,0|1,0,1]=4 342 B7R1.23 OCC1CC1(F)F 2201-3-06 [0,1,0,1,0,0|2,0,0]=4 343 B7R1.14 CC1(O)CCCC1 2201-1-01 [0,1,0,1,0,0|2,0,0]=4 344 B7R1.14 CC1(O)CCNC1 4H01-1-5R [0,1,0,1,0,0|2,0,0]=4 345 B7R1.14 CC1(O)CCNC1 4H56-5-0D [0,1,0,1,0,0|2,0,0]=4 346 B7R1.29 OCC1(CO)CC1 P911-A-63 [0,1,0,1,0,0|1,0,0]=3 347 B7R2.13 C1CC2OC2C1 2209-1-X1 [0,0,0,2,0,0|2,0,0]=4 348 B7R2.13 C1OCC2OC12 2H10-1-Y2 [0,0,0,2,0,0|1,0,0]=3