0 B5R0.1 C=CCC(C)O 2302-1-00 [0,0,0,0,0,0|2,0,0]=2 1 B5R0.1 C=COC(C)=O 2324-1-50 [0,0,0,0,0,0|3,0,1]=4 2 B5R0.1 CC(C)=CCBr 1300-9-X0 [0,0,0,0,0,0|1,0,3]=4 3 B5R0.1 CC(C)=CCCl 1300-5-X0 [0,0,0,0,0,0|1,0,3]=4 4 B5R0.1 CC(C)CCI 1100-H-X4 [0,0,0,0,0,0|1,0,1]=2 5 B5R0.1 CC(C)CCN 3130-1-X4 [0,0,0,0,0,0|1,0,1]=2 6 B5R0.1 CC(C)CCO 2101-1-53 [0,0,0,0,0,0|0,0,2]=2 7 B5R0.1 CC(C)CNN 3139-5-X0 [0,0,0,0,0,0|2,0,0]=2 8 B5R0.1 CC(C)N=C=S 7168-1-X2 [0,0,0,0,0,0|1,1,1]=3 9 B5R0.1 CC(N)CCO 4156-1-4D [0,0,0,0,0,0|1,0,2]=3 10 B5R0.1 CCCC(C)C 1100-1-04 [0,0,0,0,0,0|1,0,1]=2 11 B5R0.1 CCCC(C)O 2102-1-52 [0,0,0,0,0,0|2,0,1]=3 12 B5R0.1 CN(C)CC#N 3137-1-03 [0,0,0,0,0,0|2,0,1]=3 13 B5R0.1 CN(C)CCN 3132-1-X2 [0,0,0,0,0,0|2,0,1]=3 14 B5R0.1 C[C@@H](N)CCO 4156-1-RB [0,0,0,0,0,0|1,0,2]=3 15 B5R0.1 C[C@@H](O)CCO 2101-1-X0 [0,0,0,0,0,0|1,0,2]=3 16 B4R0.1 C#CC(C)O 2502-1-01 [1,0,0,0,0,0|1,0,2]=4 17 B4R0.1 C#C[C@@H](C)O 2502-1-R1 [1,0,0,0,0,0|1,0,2]=4 18 B4R0.1 C=C(C)CBr 1300-9-00 [1,0,0,0,0,0|1,0,2]=4 19 B4R0.1 C=C(C)CC 1300-1-21 [1,0,0,0,0,0|0,0,3]=4 20 B4R0.1 C=C(C)CN 3330-1-X1 [1,0,0,0,0,0|1,0,2]=4 21 B4R0.1 C=C(C)CN 3330-5-X0 [1,0,0,0,0,0|1,0,2]=4 22 B4R0.1 C=CC(=C)C 1300-1-49 [1,0,0,0,0,0|0,0,3]=4 23 B4R0.1 C=CC(C)C 1300-1-26 [1,0,0,0,0,0|0,0,1]=2 24 B4R0.1 C=CC(C)Cl 1300-5-41 [1,0,0,0,0,0|1,0,1]=3 25 B4R0.1 CC(=O)C=O 2117-1-X0 [1,0,0,0,0,0|1,0,1]=3 26 B4R0.1 CC(=O)C=O 2117-1-X0A [1,0,0,0,0,0|1,0,1]=3 27 B4R0.1 CC(=O)CF 2117-3-10 [1,0,0,0,0,0|2,0,1]=4 28 B4R0.1 CC(=O)CO 2120-1-01 [1,0,0,0,0,0|1,0,2]=4 29 B4R0.1 CC(C)C#N 3137-1-Y4 [1,0,0,0,0,0|1,0,1]=3 30 B4R0.1 CC(C)C=O 2115-1-13 [1,0,0,0,0,0|0,0,0]=1 31 B4R0.1 CC(C)NN 3139-5-X2 [1,0,0,0,0,0|2,0,0]=3 32 B4R0.1 CC(C)[Mg]Cl 9112-5-04 [1,0,0,0,0,0|2,0,0]=3 33 B4R0.1 CC(F)CO 2101-3-64 [1,0,0,0,0,0|1,0,1]=3 34 B4R0.1 CC(N)CO 4156-1-92 [1,0,0,0,0,0|1,0,1]=3 35 B4R0.1 CC(O)CF 2102-3-12 [1,0,0,0,0,0|2,0,0]=3 36 B4R0.1 CC(O)CO 2104-1-12 [1,0,0,0,0,0|1,0,1]=3 37 B4R0.1 CCC(C)Cl 1100-5-25 [1,0,0,0,0,0|1,0,1]=3 38 B4R0.1 CCC(C)F 1100-3-47 [1,0,0,0,0,0|1,0,1]=3 39 B4R0.1 CCC(C)I 1100-H-X6 [1,0,0,0,0,0|1,0,1]=3 40 B4R0.1 CC[C@@H](C)O 2101-1-R1 [1,0,0,0,0,0|1,0,1]=3 41 B4R0.1 CN(C)C=O 4148-1-03 [1,0,0,0,0,0|1,0,0]=2 42 B4R0.1 C[C@@H](N)CO 4156-1-R3 [1,0,0,0,0,0|1,0,1]=3 43 B4R0.1 C[C@@H](O)CN 4156-1-R2 [1,0,0,0,0,0|2,0,0]=3 44 B4R0.1 C[C@@H](O)CO 2104-1-R3 [1,0,0,0,0,0|1,0,1]=3 45 B4R0.1 C[C@H](O)CN 4156-1-S2 [1,0,0,0,0,0|2,0,0]=3 46 B4R0.1 C[C@H](O)CO 2104-1-S3 [1,0,0,0,0,0|1,0,1]=3 47 B4R0.1 C\C(Cl)=C/Cl 1300-5-18 [1,0,0,0,0,0|2,0,1]=4 48 B4R0.1 C\C(Cl)=C\Cl 1300-5-Z0 [1,0,0,0,0,0|2,0,1]=4 49 B4R0.1 ClCC(Cl)Cl 1100-5-X2 [1,0,0,0,0,0|3,0,0]=4 50 B4R0.1 FC(Cl)CCl 1100-7-28 [1,0,0,0,0,0|3,0,0]=4 51 B4R0.1 FC(F)CBr 1100-B-07 [1,0,0,0,0,0|3,0,0]=4 52 B4R0.1 FC(F)CI 1100-K-32 [1,0,0,0,0,0|3,0,0]=4 53 B4R0.1 NCC(F)F 3130-3-03 [1,0,0,0,0,0|3,0,0]=4 54 B4R0.1 NCC(F)F 3130-7-03 [1,0,0,0,0,0|3,0,0]=4 55 B4R0.1 O=CC(=O)O 2129-1-X4 [1,0,0,0,0,0|2,0,1]=4 56 B4R0.1 OCC(F)F 2101-3-02 [1,0,0,0,0,0|2,0,1]=4 57 B4R0.1 [C@@H](C)(N)CC 3130-1-S1 [1,0,0,0,0,0|1,0,1]=3 58 B4R0.1 [C@@H](C)(N)CO 4156-1-Y5 [1,0,0,0,0,0|1,0,1]=3 59 B4R0.1 [C@H](C)(N)CC 3130-1-R1 [1,0,0,0,0,0|1,0,1]=3 60 B4R0.2 BrCCCBr 1100-9-13 [1,0,0,0,0,0|2,0,1]=4 61 B4R0.2 C#CCCC 1500-1-X1 [1,0,0,0,0,0|1,0,1]=3 62 B4R0.2 C#CCCO P311-A-35 [1,0,0,0,0,0|2,0,1]=4 63 B4R0.2 C#COCC 2507-1-01 [1,0,0,0,0,0|2,0,1]=4 64 B4R0.2 C=CCCBr 1300-9-04 [1,0,0,0,0,0|2,0,0]=3 65 B4R0.2 C=CCCC 1300-1-09 [1,0,0,0,0,0|1,0,0]=2 66 B4R0.2 CCCC#N 3137-1-Y3 [1,0,0,0,0,0|1,0,1]=3 67 B4R0.2 CCCCBr 1100-9-15 [1,0,0,0,0,0|1,0,1]=3 68 B4R0.2 CCCCF 1100-3-32 [1,0,0,0,0,0|1,0,1]=3 69 B4R0.2 CCNCC 3133-5-06 [1,0,0,0,0,0|2,0,1]=4 70 B4R0.2 CCOCC 6160-3-09 [1,0,0,0,0,0|2,0,1]=4 71 B4R0.2 CCOCCl 2107-5-01 [1,0,0,0,0,0|2,0,1]=4 72 B4R0.2 CNCCCl 3133-5-05 [1,0,0,0,0,0|2,0,1]=4 73 B4R0.2 CNCCN 3131-1-11 [1,0,0,0,0,0|2,0,1]=4 74 B4R0.2 CNCCO 4156-1-3Y [1,0,0,0,0,0|1,0,2]=4 75 B4R0.2 COCC#N 4137-1-Y6 [1,0,0,0,0,0|2,0,1]=4 76 B4R0.2 COCCBr 2107-9-X1 [1,0,0,0,0,0|2,0,1]=4 77 B4R0.2 COCCCl 2107-5-0R [1,0,0,0,0,0|2,0,1]=4 78 B4R0.2 COCCN 4130-1-X3 [1,0,0,0,0,0|2,0,1]=4 79 B4R0.2 COCOC 2108-1-07 [1,0,0,0,0,0|3,0,0]=4 80 B4R0.2 CSCCN 7166-1-X1 [1,0,0,0,0,0|2,0,1]=4 81 B4R0.2 C\C=C\CC 1300-1-05 [1,0,0,0,0,0|1,0,1]=3 82 B4R0.2 ClCCCCl 1100-5-19 [1,0,0,0,0,0|2,0,1]=4 83 B4R0.2 ClCCCI 1100-M-01 [1,0,0,0,0,0|2,0,1]=4 84 B4R0.2 Cl\C=C\CCl 1300-5-28 [1,0,0,0,0,0|2,0,1]=4 85 B4R0.2 FCCCF 1100-3-16 [1,0,0,0,0,0|2,0,1]=4 86 B4R0.2 FCCCI 1100-K-35 [1,0,0,0,0,0|2,0,1]=4 87 B4R0.2 ICCCI 1100-H-X0 [1,0,0,0,0,0|2,0,1]=4 88 B4R0.2 N#CCCO 4137-1-Y3 [1,0,0,0,0,0|2,0,1]=4 89 B4R0.2 NCCCBr 3130-9-X0 [1,0,0,0,0,0|2,0,1]=4 90 B4R0.2 NCCCCl 3130-5-03 [1,0,0,0,0,0|2,0,1]=4 91 B4R0.2 NCCCF 3130-7-13 [1,0,0,0,0,0|2,0,1]=4 92 B4R0.2 NNCCO 4139-1-01 [1,0,0,0,0,0|3,0,0]=4 93 B4R0.2 OCCCBr 2101-9-X2 [1,0,0,0,0,0|1,0,2]=4 94 B4R0.2 OCCCCl 2101-5-13 [1,0,0,0,0,0|1,0,2]=4 95 B4R0.2 OCCCF 2101-3-50 [1,0,0,0,0,0|1,0,2]=4 96 B4R0.2 OCCCI 2101-H-01 [1,0,0,0,0,0|1,0,2]=4 97 B4R0.2 OCCCO 2104-1-11 [1,0,0,0,0,0|1,0,2]=4 98 B6R0.1 CCC(C)N=C=S 7168-1-02 [0,1,0,0,0,0|1,1,1]=4 99 B6R0.1 CCCC(C)CCl 1100-5-0A [0,1,0,0,0,0|1,0,1]=3 100 B6R0.1 CCCC(O)CO 2104-1-0A [0,1,0,0,0,0|2,0,1]=4 101 B6R0.1 COCC(O)CO 2107-1-11 [0,1,0,0,0,0|3,0,0]=4 102 B6R0.1 OCC[C@H](O)CO 2104-1-S1 [0,1,0,0,0,0|1,0,2]=4 103 B6R0.2 CC(=O)CC(C)=O 2118-1-01 [0,1,0,0,0,0|1,0,1]=3 104 B6R0.2 CC(=O)CC(C)C 2118-1-02 [0,1,0,0,0,0|0,0,0]=1 105 B6R0.2 CC(=O)\C=C(\C)N 4356-1-06 [0,1,0,0,0,0|1,0,2]=4 106 B6R0.2 CC(=O)\C=C(\C)[O-] 9128-1-X0 [0,1,0,0,0,0|1,0,2]=4 107 B6R0.2 CC(C)=CC(=O)O 2321-1-X4 [0,1,0,0,0,0|0,0,2]=3 108 B6R0.2 CC(C)CB(O)O 6160-1-X3 [0,1,0,0,0,0|1,0,1]=3 109 B6R0.2 CC(C)CC(N)=O 4148-1-Y7 [0,1,0,0,0,0|0,0,0]=1 110 B6R0.2 CC(C)NC(C)C 3135-5-00 [0,1,0,0,0,0|2,0,1]=4 111 B6R0.2 CC(C)NC(C)C 4133-5-01 [0,1,0,0,0,0|2,0,1]=4 112 B6R0.2 CC(C)NC(N)=S 7167-1-18 [0,1,0,0,0,0|1,1,0]=3 113 B6R0.2 CC(C)OP(Cl)Cl 6174-5-00 [0,1,0,0,0,0|3,0,0]=4 114 B6R0.2 CC(Cl)OC(=O)Cl 2116-5-X1 [0,1,0,0,0,0|2,0,0]=3 115 B6R0.2 CC(O)CC(=O)[O-] 2129-1-35 [0,1,0,0,0,0|1,0,0]=2 116 B6R0.2 CC(O)CC(C)O 2104-1-X3 [0,1,0,0,0,0|1,0,2]=4 117 B6R0.2 CN(C)CC(=O)O 4158-1-40 [0,1,0,0,0,0|1,0,0]=2 118 B6R0.2 CN(C)CC(N)=S 7167-5-01 [0,1,0,0,0,0|1,1,0]=3 119 B6R0.2 C[C@@H](O)C[C@@H](C)O 2104-1-28 [0,1,0,0,0,0|1,0,2]=4 120 B6R0.2 O=C(O)CC(=O)O 2121-1-05 [0,1,0,0,0,0|2,0,1]=4 121 B6R0.3 CC(C)C(=N)NO 4156-1-Z3 [0,1,0,0,0,0|1,0,2]=4 122 B6R0.3 CC(C)C(N)CO 4156-1-88 [0,1,0,0,0,0|0,0,2]=3 123 B6R0.3 CC(C)[C@@H](N)CO 4156-1-R5 [0,1,0,0,0,0|0,0,2]=3 124 B6R0.3 CC(C)[C@H](N)CO 4156-1-S5 [0,1,0,0,0,0|0,0,2]=3 125 B6R0.3 CCC(=O)C(C)C 2117-1-18 [0,1,0,0,0,0|1,0,2]=4 126 B6R0.3 CCC(Br)C(C)Br 1100-9-10 [0,1,0,0,0,0|2,0,1]=4 127 B6R0.4 C=CCC[C@@H](C)O 2302-1-R1 [0,1,0,0,0,0|2,0,0]=3 128 B6R0.4 C=CCOC(C)=O 2324-1-08 [0,1,0,0,0,0|2,0,1]=4 129 B6R0.4 CC(C)CN=C=S 7168-1-X1 [0,1,0,0,0,0|0,1,1]=3 130 B6R0.4 CC(C)OCCO 2107-1-0H [0,1,0,0,0,0|0,0,2]=3 131 B6R0.4 CN(C)CCCBr 3132-9-03 [0,1,0,0,0,0|2,0,1]=4 132 B6R0.4 CN(C)CCCCl 3132-5-X0 [0,1,0,0,0,0|2,0,1]=4 133 B6R0.4 CN(C)CCCO 4156-1-40 [0,1,0,0,0,0|1,0,2]=4 134 B6R0.4 CN(C)\C=C\C#N 3337-1-Z0 [0,1,0,0,0,0|2,0,1]=4 135 B6R0.5 C=CC[Si](C)(C)C 5380-1-01 [0,1,0,0,0,0|1,1,0]=3 136 B6R0.5 C=CC[Si](C)(C)Cl 5381-5-03 [0,1,0,0,0,0|1,1,0]=3 137 B6R0.5 CC(C)(C)N=C=S 7168-1-03 [0,1,0,0,0,0|1,1,1]=4 138 B6R0.5 CC(C)(C)ON=O 4145-1-X1 [0,1,0,0,0,0|2,0,0]=3 139 B6R0.5 C[Si](C)(C)CCO 6180-1-X1 [0,1,0,0,0,0|0,1,2]=4 140 B6R1.2 BrC1CCCC1 1200-9-01 [0,0,0,1,0,0|2,0,1]=4 141 B6R1.2 CC1CCCC1 1200-1-07 [0,0,0,1,0,0|1,0,1]=3 142 B6R1.2 CC1CCCO1 2H10-1-01 [0,0,0,1,0,0|2,0,1]=4 143 B6R1.2 CC1CCNC1 3H31-5-95 [0,0,0,1,0,0|1,0,1]=3 144 B6R1.2 C[C@@H]1CCCN1 3H31-5-3F [0,0,0,1,0,0|2,0,1]=4 145 B6R1.2 C[C@H]1CCCN1 3H31-5-S6 [0,0,0,1,0,0|2,0,1]=4 146 B6R1.2 C[C@H]1CCNC1 3H31-5-S5 [0,0,0,1,0,0|1,0,1]=3 147 B6R1.2 ClC1CCCC1 1200-5-02 [0,0,0,1,0,0|2,0,1]=4 148 B6R1.2 FC1CCNC1 3H31-3-64 [0,0,0,1,0,0|2,0,1]=4 149 B6R1.2 F[C@@H]1CCNC1 3H31-3-R2 [0,0,0,1,0,0|2,0,1]=4 150 B6R1.2 F[C@@H]1CCNC1 3H31-7-05 [0,0,0,1,0,0|2,0,1]=4 151 B6R1.2 F[C@H]1CCNC1 3H31-3-S2 [0,0,0,1,0,0|2,0,1]=4 152 B6R1.2 F[C@H]1CCNC1 3H31-7-X5 [0,0,0,1,0,0|2,0,1]=4 153 B6R1.2 NC1CCOC1 4H30-1-07 [0,0,0,1,0,0|1,0,2]=4 154 B6R1.2 NC1CCOC1 4H56-5-2A [0,0,0,1,0,0|1,0,2]=4 155 B6R1.2 N[C@@H]1CCOC1 4H56-1-R04 [0,0,0,1,0,0|1,0,2]=4 156 B6R1.2 N[C@@H]1CCOC1 4H56-5-R0 [0,0,0,1,0,0|1,0,2]=4 157 B6R1.2 N[C@H]1CCOC1 4H56-1-S13 [0,0,0,1,0,0|1,0,2]=4 158 B6R1.2 OC1CC=CC1 2402-1-00 [0,0,0,1,0,0|2,0,0]=3 159 B6R1.2 OC1CCNC1 4H01-5-23 [0,0,0,1,0,0|2,0,1]=4 160 B6R1.2 OC1CCNC1 4H56-1-831 [0,0,0,1,0,0|2,0,1]=4 161 B6R1.2 OC1CCOC1 2H10-1-87 [0,0,0,1,0,0|1,0,2]=4 162 B6R1.2 O[C@@H]1CCNC1 4H01-1-M0 [0,0,0,1,0,0|2,0,1]=4 163 B6R1.2 O[C@@H]1CCNC1 4H56-1-R3 [0,0,0,1,0,0|2,0,1]=4 164 B6R1.2 O[C@@H]1CCOC1 2H01-1-Y2 [0,0,0,1,0,0|1,0,2]=4 165 B6R1.2 O[C@H]1CCNC1 4H01-1-M4 [0,0,0,1,0,0|2,0,1]=4 166 B6R1.2 O[C@H]1CCNC1 4H56-5-J2 [0,0,0,1,0,0|2,0,1]=4 167 B6R1.2 O[C@H]1CCOC1 G311-A-08 [0,0,0,1,0,0|1,0,2]=4 168 B6R1.3 NCCC1CC1 3230-5-07 [0,0,0,1,0,0|1,0,1]=3 169 B6R1.3 OCCC1CC1 2201-1-11 [0,0,0,1,0,0|0,0,2]=3 170 B6R1.3 S=C=NC1CC1 7268-1-X0 [0,0,0,1,0,0|1,1,1]=4 171 B6R1.5 NC1CC(O)C1 4256-1-30 [0,0,0,1,0,0|1,0,2]=4 172 B6R1.10 CC1(C)CNC1 3H31-5-96 [0,0,0,1,0,0|2,0,0]=3 173 B6R1.10 C[Si]1(C)CCC1 5180-1-07 [0,0,0,1,0,0|1,1,1]=4 174 B6R1.11 CC(N)C1CC1 P911-A-20 [0,0,0,1,0,0|2,0,1]=4 175 B6R1.11 CC(O)C1CC1 2202-1-14 [0,0,0,1,0,0|2,0,1]=4 176 B3R0.1 BrCCI 1100-S-04 [2,0,0,0,0,0|2,0,0]=4 177 B3R0.1 C#CCC 1500-1-05 [2,0,0,0,0,0|0,0,2]=4 178 B3R0.1 C=CCBr 1300-9-02 [2,0,0,0,0,0|1,0,1]=4 179 B3R0.1 C=CCC 1300-1-25 [2,0,0,0,0,0|0,0,1]=3 180 B3R0.1 C=CCCl 1300-5-10 [2,0,0,0,0,0|1,0,1]=4 181 B3R0.1 C=CCF 1300-3-09 [2,0,0,0,0,0|1,0,1]=4 182 B3R0.1 C=CCI 1300-H-01 [2,0,0,0,0,0|1,0,1]=4 183 B3R0.1 CCC=O 2115-1-05 [2,0,0,0,0,0|0,0,0]=2 184 B3R0.1 CCCBr 1100-9-37 [2,0,0,0,0,0|1,0,0]=3 185 B3R0.1 CCCC 1100-1-X0 [2,0,0,0,0,0|0,0,1]=3 186 B3R0.1 CCCCl 1100-5-01 [2,0,0,0,0,0|1,0,0]=3 187 B3R0.1 CCCI 1100-H-X9 [2,0,0,0,0,0|1,0,0]=3 188 B3R0.1 CCNN 3139-5-05 [2,0,0,0,0,0|2,0,0]=4 189 B3R0.1 COCBr 2107-9-01 [2,0,0,0,0,0|2,0,0]=4 190 B3R0.1 C\C=C/C 1300-1-29 [2,0,0,0,0,0|1,0,1]=4 191 B3R0.1 C\C=C\C 1300-1-04 [2,0,0,0,0,0|1,0,1]=4 192 B3R0.1 C\C=C\Cl 1300-5-17 [2,0,0,0,0,0|1,0,1]=4 193 B3R0.1 C\C=C\Cl 1300-5-E1 [2,0,0,0,0,0|1,0,1]=4 194 B3R0.1 ClCCCl 1100-5-15 [2,0,0,0,0,0|2,0,0]=4 195 B3R0.1 ClCCI 1100-M-00 [2,0,0,0,0,0|2,0,0]=4 196 B3R0.1 FCCCl 1100-7-05 [2,0,0,0,0,0|2,0,0]=4 197 B3R0.1 FCCI 1100-K-18 [2,0,0,0,0,0|2,0,0]=4 198 B3R0.1 NCCBr 3130-9-X1 [2,0,0,0,0,0|2,0,0]=4 199 B3R0.1 NCCCl 3130-5-01 [2,0,0,0,0,0|2,0,0]=4 200 B3R0.1 NCCF 3130-7-04 [2,0,0,0,0,0|2,0,0]=4 201 B3R0.1 NCCS 7161-5-01 [2,0,0,0,0,0|1,1,0]=4 202 B3R0.1 OCCBr 2101-9-02 [2,0,0,0,0,0|1,0,1]=4 203 B3R0.2 C=C(C)C 1300-1-06 [2,0,0,0,0,0|0,0,1]=3 204 B3R0.2 C=C(C)Cl 1300-5-21 [2,0,0,0,0,0|1,0,1]=4 205 B3R0.2 CC(=O)Cl 2116-5-01 [2,0,0,0,0,0|1,0,1]=4 206 B3R0.2 CC(=O)O 4141-1-X0 [2,0,0,0,0,0|1,0,1]=4 207 B3R0.2 CC(=O)[O-] 2122-1-02 [2,0,0,0,0,0|1,0,1]=4 208 B3R0.2 CC(=O)[O-] 2122-1-19 [2,0,0,0,0,0|1,0,1]=4 209 B3R0.2 CC(=O)[O-] 2122-1-29 [2,0,0,0,0,0|1,0,1]=4 210 B3R0.2 CC(=O)[O-] 2122-1-46 [2,0,0,0,0,0|1,0,1]=4 211 B3R0.2 CC(=O)[O-] 2122-1-46H [2,0,0,0,0,0|1,0,1]=4 212 B3R0.2 CC(=O)[O-] M029-1-01 [2,0,0,0,0,0|1,0,1]=4 213 B3R0.2 CC(=O)[O-] M056-1-X0 [2,0,0,0,0,0|1,0,1]=4 214 B3R0.2 CC(=O)[S-] 6161-1-05 [2,0,0,0,0,0|1,0,1]=4 215 B3R0.2 CC(C)Br 1100-9-02 [2,0,0,0,0,0|1,0,0]=3 216 B3R0.2 CC(C)C 1100-1-19 [2,0,0,0,0,0|0,0,0]=2 217 B3R0.2 CC(C)I 1100-H-03 [2,0,0,0,0,0|1,0,0]=3 218 B3R0.2 CC(C)N 3130-5-X1 [2,0,0,0,0,0|1,0,0]=3 219 B3R0.2 CC(Cl)Cl 1100-5-12 [2,0,0,0,0,0|2,0,0]=4 220 B3R0.2 CC(F)Br 1100-B-20 [2,0,0,0,0,0|2,0,0]=4 221 B3R0.2 CC(F)Cl 1100-7-04SM [2,0,0,0,0,0|2,0,0]=4 222 B3R0.2 CC(F)F 1100-3-05 [2,0,0,0,0,0|2,0,0]=4 223 B3R0.2 CN(C)C 3132-1-05 [2,0,0,0,0,0|1,0,0]=3 224 B3R0.2 CN(C)C 8132-1-X0 [2,0,0,0,0,0|1,0,0]=3 225 B3R0.2 CS(=O)[O-] 6165-1-X0 [2,0,0,0,0,0|2,0,0]=4 226 B3R0.2 C[S+](C)C 5171-H-01 [2,0,0,0,0,0|1,0,0]=3 227 B5R0.3 CCC(C)C=O 2115-1-0C [1,1,0,0,0,0|0,0,0]=2 228 B5R0.3 CCC(C)CN 3130-1-X5 [1,1,0,0,0,0|0,0,1]=3 229 B5R0.3 CCC(N)CC 3130-1-14 [1,1,0,0,0,0|1,0,1]=4 230 B5R0.3 CCC(N)CO 4156-1-38 [1,1,0,0,0,0|1,0,1]=4 231 B5R0.3 CCC(O)CN 4156-1-Z4 [1,1,0,0,0,0|1,0,1]=4 232 B5R0.3 CC[C@@H](N)CO 4156-1-R4 [1,1,0,0,0,0|1,0,1]=4 233 B5R0.3 CC[C@H](N)CO 4156-1-W2 [1,1,0,0,0,0|1,0,1]=4 234 B5R0.3 C\C(C=O)=C/N 4356-1-X1 [1,1,0,0,0,0|0,0,2]=4 235 B5R0.3 ClCC(Br)CBr 1100-D-12 [1,1,0,0,0,0|2,0,0]=4 236 B5R0.3 ClCC(Cl)CCl 1100-5-10 [1,1,0,0,0,0|2,0,0]=4 237 B5R0.3 FCC(Br)CBr 1100-B-28 [1,1,0,0,0,0|2,0,0]=4 238 B5R0.3 NC(CO)CO 4104-1-X0 [1,1,0,0,0,0|1,0,1]=4 239 B5R0.3 NCC(O)CN 4156-1-Y7 [1,1,0,0,0,0|2,0,0]=4 240 B5R0.3 NCC(O)CO 4156-1-Z8 [1,1,0,0,0,0|1,0,1]=4 241 B5R0.3 O=CC(Br)C=O 2115-9-02 [1,1,0,0,0,0|1,0,1]=4 242 B5R0.3 OC(CBr)CBr 2101-9-X1 [1,1,0,0,0,0|2,0,0]=4 243 B5R0.3 OC(CCl)CCl 2102-5-13 [1,1,0,0,0,0|2,0,0]=4 244 B5R0.3 OC(CF)CCl 2102-7-02 [1,1,0,0,0,0|2,0,0]=4 245 B5R0.3 OC(CF)CF 2102-3-13 [1,1,0,0,0,0|2,0,0]=4 246 B5R0.3 OCC(O)CBr 2104-9-01 [1,1,0,0,0,0|1,0,1]=4 247 B5R0.3 OCC(O)CS 6161-1-X4 [1,1,0,0,0,0|1,0,1]=4 248 B5R0.4 C#CC(C)(C)C 1500-1-00 [1,1,0,0,0,0|0,0,2]=4 249 B5R0.4 C#CC(C)(C)N 3530-1-01 [1,1,0,0,0,0|0,0,2]=4 250 B5R0.4 CC(C)(C)C#N 3137-1-Y1 [1,1,0,0,0,0|1,0,1]=4 251 B5R0.4 CC(C)(C)C=O 2115-1-X3 [1,1,0,0,0,0|0,0,0]=2 252 B5R0.4 CC(C)(C)CCl 1100-5-20 [1,1,0,0,0,0|1,0,0]=3 253 B5R0.4 CC(C)(C)CO 2101-1-08 [1,1,0,0,0,0|0,0,1]=3 254 B5R0.4 CC(C)(C)NN 3139-5-01 [1,1,0,0,0,0|2,0,0]=4 255 B5R0.4 CC(C)(C)NO 4147-5-X0 [1,1,0,0,0,0|1,0,1]=4 256 B5R0.4 CC(C)(Cl)CCl 1100-5-18 [1,1,0,0,0,0|1,0,0]=3 257 B5R0.4 CC(C)(F)CO 2101-3-97 [1,1,0,0,0,0|0,0,1]=3 258 B5R0.4 CC(C)(N)C#N 3137-5-02 [1,1,0,0,0,0|1,0,1]=4 259 B5R0.4 CC(C)(N)CO 4156-1-X8 [1,1,0,0,0,0|0,0,1]=3 260 B5R0.4 CC(C)(O)CN 4156-1-05 [1,1,0,0,0,0|1,0,0]=3 261 B5R0.4 CC(C)(O)CO 2104-1-09 [1,1,0,0,0,0|0,0,1]=3 262 B5R0.4 CC(F)(Cl)CCl 1100-7-49 [1,1,0,0,0,0|2,0,0]=4 263 B5R0.4 CC(F)(F)CCl 1100-7-64 [1,1,0,0,0,0|2,0,0]=4 264 B5R0.4 CC(F)(F)CN 3130-7-22 [1,1,0,0,0,0|2,0,0]=4 265 B5R0.4 CC(F)(F)CO 2101-3-52 [1,1,0,0,0,0|1,0,1]=4 266 B5R0.4 CCC(C)(C)C 1100-1-32 [1,1,0,0,0,0|0,0,1]=3 267 B5R0.4 CCC(C)(F)F 1100-3-98 [1,1,0,0,0,0|1,0,1]=4 268 B5R0.4 CNC(C)(C)C 3131-1-X1 [1,1,0,0,0,0|1,0,1]=4 269 B5R0.4 C[Si](C)(C)CCl 5181-5-25 [1,1,0,0,0,0|1,1,0]=4 270 B5R0.5 C=C(C)C(C)C 1300-1-24 [1,1,0,0,0,0|0,0,1]=3 271 B5R0.5 CC(=O)C(=O)O 2129-1-03 [1,1,0,0,0,0|1,0,1]=4 272 B5R0.5 CC(=O)C(C)=O 2118-1-05 [1,1,0,0,0,0|1,0,1]=4 273 B5R0.5 CC(=O)C(C)C 2117-1-13 [1,1,0,0,0,0|0,0,0]=2 274 B5R0.5 CC(=O)C(C)F 2117-3-11 [1,1,0,0,0,0|1,0,0]=3 275 B5R0.5 CC(=O)C(F)F 2117-3-13 [1,1,0,0,0,0|2,0,0]=4 276 B5R0.5 CC(=O)N(C)C 4148-1-08 [1,1,0,0,0,0|1,0,0]=3 277 B5R0.5 CC(Br)C(N)=O 4157-9-X1 [1,1,0,0,0,0|1,0,0]=3 278 B5R0.5 CC(C)=C(C)C 1300-1-X1 [1,1,0,0,0,0|1,0,1]=4 279 B5R0.5 CC(C)B(O)O 6160-1-X0 [1,1,0,0,0,0|1,0,1]=4 280 B5R0.5 CC(C)C(=N)N 3141-5-X0 [1,1,0,0,0,0|1,0,0]=3 281 B5R0.5 CC(C)C(=O)Cl 2116-5-05 [1,1,0,0,0,0|0,0,0]=2 282 B5R0.5 CC(Cl)C(Cl)Cl 1100-5-31 [1,1,0,0,0,0|2,0,0]=4 283 B5R0.5 CC(F)C(=O)O 2121-3-95 [1,1,0,0,0,0|1,0,0]=3 284 B5R0.5 CC(N)C(N)=O 4158-5-X5 [1,1,0,0,0,0|1,0,0]=3 285 B5R0.5 CC(O)C(C)O 2104-1-07 [1,1,0,0,0,0|1,0,1]=4 286 B5R0.5 CN(C)C(=N)N 3141-5-00 [1,1,0,0,0,0|2,0,0]=4 287 B5R0.5 CN(C)C(=S)Cl P911-A-76 [1,1,0,0,0,0|1,1,0]=4 288 B5R0.5 CN(C)C(=S)[S-] 5167-1-01 [1,1,0,0,0,0|1,1,0]=4 289 B5R0.5 C[C@@H](Cl)C(=O)O 2121-5-R1 [1,1,0,0,0,0|1,0,0]=3 290 B5R0.5 C[C@@H](O)C(N)=O 4148-1-R1 [1,1,0,0,0,0|1,0,0]=3 291 B5R0.5 C[C@@H](O)[C@@H](C)O 2104-1-R1 [1,1,0,0,0,0|1,0,1]=4 292 B5R0.5 C[C@H](N)C(=O)O 4157-1-S5 [1,1,0,0,0,0|1,0,0]=3 293 B5R0.5 C[C@H](N)C(N)=O 4148-5-04 [1,1,0,0,0,0|1,0,0]=3 294 B5R0.5 C[C@H](O)C(=O)O 2129-1-S8 [1,1,0,0,0,0|1,0,0]=3 295 B5R0.5 C[C@H](O)[C@H](C)O 2104-1-X2 [1,1,0,0,0,0|1,0,1]=4 296 B5R0.5 NC(=O)C(Cl)Cl 4148-5-X4 [1,1,0,0,0,0|2,0,0]=4 297 B5R0.5 NC(=O)C(F)Br 4148-B-02 [1,1,0,0,0,0|2,0,0]=4 298 B5R0.5 NC(=O)C(F)Cl 4148-7-03 [1,1,0,0,0,0|2,0,0]=4 299 B5R0.5 NC(=O)C(F)F 4148-3-18 [1,1,0,0,0,0|2,0,0]=4 300 B5R0.5 NC(=O)C(F)I 4148-K-01 [1,1,0,0,0,0|2,0,0]=4 301 B5R0.5 O=C(Cl)C(Cl)Cl 2116-5-00 [1,1,0,0,0,0|2,0,0]=4 302 B5R0.5 O=C(O)C(F)Br 2121-B-03 [1,1,0,0,0,0|2,0,0]=4 303 B5R0.5 O=C(O)C(F)Cl 2121-7-03 [1,1,0,0,0,0|2,0,0]=4 304 B5R0.5 O=C(O)C(F)F 2121-3-05 [1,1,0,0,0,0|2,0,0]=4 305 B5R0.5 O=C(O)C(F)I 2121-K-01 [1,1,0,0,0,0|2,0,0]=4 306 B5R0.5 O=C([O-])C(F)Br 2122-B-01 [1,1,0,0,0,0|2,0,0]=4 307 B5R0.5 O=C([O-])C(F)Cl 2122-7-01 [1,1,0,0,0,0|2,0,0]=4 308 B5R0.5 O=C([O-])C(F)F 2122-3-02 [1,1,0,0,0,0|2,0,0]=4 309 B5R0.5 O=C([O-])C(F)F 2122-3-07 [1,1,0,0,0,0|2,0,0]=4 310 B5R0.5 [C@@H](C)(Cl)C(=O)O 2121-5-S1 [1,1,0,0,0,0|1,0,0]=3 311 B5R0.2 BrCCCCBr 1100-9-14 [1,1,0,0,0,0|1,0,1]=4 312 B5R0.2 C#CCCCC 1500-1-X2 [1,1,0,0,0,0|1,0,1]=4 313 B5R0.2 C#CCCCCl 1500-5-X0 [1,1,0,0,0,0|1,0,1]=4 314 B5R0.2 C#CCCCO 2501-1-01 [1,1,0,0,0,0|1,0,1]=4 315 B5R0.2 C=CCCCBr 1300-9-13 [1,1,0,0,0,0|1,0,0]=3 316 B5R0.2 C=CCCCC 1300-1-48 [1,1,0,0,0,0|1,0,0]=3 317 B5R0.2 CCCCC=O 2115-1-00 [1,1,0,0,0,0|0,0,0]=2 318 B5R0.2 CCCCCC 1100-1-18 [1,1,0,0,0,0|1,0,1]=4 319 B5R0.2 CCCCCF 1100-3-65 [1,1,0,0,0,0|1,0,1]=4 320 B5R0.2 CCCCCN 3130-1-X6 [1,1,0,0,0,0|1,0,1]=4 321 B5R0.2 CCCN=C=S 7168-1-26 [1,1,0,0,0,0|0,1,1]=4 322 B5R0.2 CCNCCN 3130-1-X2 [1,1,0,0,0,0|1,0,1]=4 323 B5R0.2 CCSCCCl 5166-5-01 [1,1,0,0,0,0|1,0,1]=4 324 B5R0.2 CNCCNC 3131-1-17 [1,1,0,0,0,0|2,0,0]=4 325 B5R0.2 COCCCBr 2107-9-02 [1,1,0,0,0,0|1,0,1]=4 326 B5R0.2 COCCOC 2108-1-00 [1,1,0,0,0,0|2,0,0]=4 327 B5R0.2 CSCCCN 8166-1-X3 [1,1,0,0,0,0|1,0,1]=4 328 B5R0.2 ClCCCCI 1100-M-14 [1,1,0,0,0,0|1,0,1]=4 329 B5R0.2 FCCCCBr 1100-B-22 [1,1,0,0,0,0|1,0,1]=4 330 B5R0.2 ICCCCI 1100-H-14 [1,1,0,0,0,0|1,0,1]=4 331 B5R0.2 O=C=NCCCl 4149-5-X0 [1,1,0,0,0,0|1,0,1]=4 332 B5R0.2 OCCCCF 2101-3-1V [1,1,0,0,0,0|0,0,2]=4 333 B5R0.2 SCCCCS 5161-1-05 [1,1,0,0,0,0|0,1,1]=4 334 B7R0.2 CC(C)NC(=S)NN 7167-1-17 [0,2,0,0,0,0|1,1,0]=4 335 B7R0.2 CCC(C)CC(C)N 3130-5-X2 [0,2,0,0,0,0|1,0,1]=4 336 B7R0.2 CNC(=O)CC(C)=O 4148-1-51 [0,2,0,0,0,0|1,0,1]=4 337 B7R0.2 COC(=O)CC(=O)Cl 2116-5-X2 [0,2,0,0,0,0|1,0,1]=4 338 B7R0.2 COC(=O)CC(=O)[O-] 2123-1-X2 [0,2,0,0,0,0|1,0,1]=4 339 B7R0.2 COC(=O)CC(C)=O 2129-1-72 [0,2,0,0,0,0|1,0,1]=4 340 B7R0.2 COC(=O)C[C@@H](C)O 2129-1-36 [0,2,0,0,0,0|1,0,0]=3 341 B7R0.3 CCC(C)CN=C=S 7168-1-12 [0,2,0,0,0,0|0,1,1]=4 342 B7R0.5 CC(C)C(C)N=C=S 7168-1-14 [0,2,0,0,0,0|0,1,1]=4 343 B7R0.10 COC(=O)C(Cl)C=O 2123-5-16 [0,2,0,0,0,0|1,0,1]=4 344 B7R0.12 CNCC(OC)OC 4131-1-X0 [0,2,0,0,0,0|2,0,0]=4 345 B7R0.12 COC(CSC)OC 6166-1-0M [0,2,0,0,0,0|2,0,0]=4 346 B7R0.9 CC(=O)CC(F)(F)F 2117-3-44 [0,2,0,0,0,0|2,0,0]=4 347 B7R0.9 CC(=O)CS(C)(=O)=O 6163-1-06 [0,2,0,0,0,0|2,0,0]=4 348 B7R0.9 CC(C)(C)CC(=O)O 2121-1-X4 [0,2,0,0,0,0|0,0,0]=2 349 B7R0.9 CC(C)(C)NC(N)=S 7167-1-04 [0,2,0,0,0,0|1,1,0]=4 350 B7R0.9 CC(C)(C)OC(N)=O 4156-1-65 [0,2,0,0,0,0|1,0,0]=3 351 B7R0.9 CC(C)(N)CC(=O)O P911-A-54 [0,2,0,0,0,0|0,0,0]=2 352 B7R0.9 CS(=O)(=O)CC(=O)O 6165-1-01 [0,2,0,0,0,0|2,0,0]=4 353 B7R0.9 O=C(Cl)CC(F)(F)F 2116-7-33 [0,2,0,0,0,0|2,0,0]=4 354 B7R0.9 O=C(O)CC(F)(F)F 2121-3-11 [0,2,0,0,0,0|2,0,0]=4 355 B7R0.16 CC(=O)C(Cl)C(C)=O 2118-5-01 [0,2,0,0,0,0|1,0,1]=4 356 B7R0.16 CC(C)[C@H](O)C(=O)O 2129-1-S3 [0,2,0,0,0,0|0,0,0]=2 357 B7R0.16 CC(F)C(N)C(=O)O 4157-3-20 [0,2,0,0,0,0|1,0,0]=3 358 B7R0.16 CN(C)C(=O)C(=O)O 4156-1-Z5 [0,2,0,0,0,0|1,0,1]=4 359 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O 4157-1-35 [0,2,0,0,0,0|1,0,0]=3 360 B7R0.14 CC(C)(C)[C@@H](N)CO G311-A-12 [0,2,0,0,0,0|0,0,2]=4 361 B7R0.14 CC(C=O)C(F)(F)F 2115-3-05 [0,2,0,0,0,0|2,0,0]=4 362 B7R0.4 CC(C)CCN=C=S 7168-1-13 [0,2,0,0,0,0|0,1,1]=4 363 B7R0.6 CC(=O)CCC(C)=O 2118-1-25 [0,2,0,0,0,0|1,0,1]=4 364 B7R0.6 CC(=O)OCC(=O)Cl 2129-5-X0 [0,2,0,0,0,0|1,0,1]=4 365 B7R0.6 CC(=O)OCC(F)F 2123-3-09 [0,2,0,0,0,0|2,0,0]=4 366 B7R0.6 CC(=O)\C=C\C(C)C 2317-1-04 [0,2,0,0,0,0|0,0,1]=3 367 B7R0.6 CC(C)=NNC(N)=O 4153-1-0A [0,2,0,0,0,0|1,0,1]=4 368 B7R0.6 CC(C)CCC(=O)Cl 2116-5-0A [0,2,0,0,0,0|0,0,0]=2 369 B7R0.6 CC(C)COC(=O)Cl 2123-5-1N [0,2,0,0,0,0|0,0,0]=2 370 B7R0.6 CC(C)OCC(=O)O 2121-1-43 [0,2,0,0,0,0|0,0,0]=2 371 B7R0.6 CC(C)\C=C\C(=O)O 2321-1-13 [0,2,0,0,0,0|0,0,1]=3 372 B7R0.6 CN(C)CCC(=O)O 4158-5-13 [0,2,0,0,0,0|1,0,0]=3 373 B7R0.6 O=C(Cl)OCC(F)F 2123-7-00 [0,2,0,0,0,0|2,0,0]=4 374 B7R0.8 O=COCC(F)(F)F 2123-3-73 [0,2,0,0,0,0|2,0,0]=4 375 B5R1.2 BrC1CCC1 1200-9-17 [1,0,0,1,0,0|1,0,1]=4 376 B5R1.2 BrC1COC1 2H10-9-07 [1,0,0,1,0,0|1,0,1]=4 377 B5R1.2 FC1CNC1 3231-7-01 [1,0,0,1,0,0|2,0,0]=4 378 B5R1.2 IC1COC1 2H10-H-05 [1,0,0,1,0,0|1,0,1]=4 379 B5R1.2 NC1CCC1 3230-1-X4 [1,0,0,1,0,0|1,0,1]=4 380 B5R1.2 NC1CNC1 3H30-5-38 [1,0,0,1,0,0|2,0,0]=4 381 B5R1.2 OC1CNC1 4H01-5-63 [1,0,0,1,0,0|2,0,0]=4 382 B5R1.2 OC1COC1 2H01-1-X3 [1,0,0,1,0,0|1,0,1]=4 383 B5R1.3 BrCC1CC1 1200-9-X0 [1,0,0,1,0,0|1,0,0]=3 384 B5R1.3 C#CC1CC1 1500-1-04 [1,0,0,1,0,0|0,0,2]=4 385 B5R1.3 C=CC1CO1 2309-1-02 [1,0,0,1,0,0|1,0,1]=4 386 B5R1.3 CNC1CC1 3231-5-04 [1,0,0,1,0,0|1,0,1]=4 387 B5R1.3 ClCC1CC1 1200-5-01 [1,0,0,1,0,0|1,0,0]=3 388 B5R1.3 ClCC1CO1 2109-5-01 [1,0,0,1,0,0|2,0,0]=4 389 B5R1.3 ClC[C@@H]1CO1 2109-5-X0 [1,0,0,1,0,0|2,0,0]=4 390 B5R1.3 ClC[C@H]1CO1 2109-5-X1 [1,0,0,1,0,0|2,0,0]=4 391 B5R1.3 FCC1CO1 2109-3-20 [1,0,0,1,0,0|2,0,0]=4 392 B5R1.3 ICC1CC1 1200-H-04 [1,0,0,1,0,0|1,0,0]=3 393 B5R1.3 N#CC1CC1 3237-1-Y6 [1,0,0,1,0,0|1,0,1]=4 394 B5R1.3 NCC1CC1 P911-A-36 [1,0,0,1,0,0|1,0,0]=3 395 B5R1.3 O=CC1CC1 2215-1-X2 [1,0,0,1,0,0|0,0,0]=2 396 B5R1.3 OCC1CC1 2301-1-X2 [1,0,0,1,0,0|0,0,1]=3 397 B5R1.3 OC[C@@H]1CO1 2109-1-R2 [1,0,0,1,0,0|1,0,1]=4 398 B5R1.3 OC[C@H]1CO1 2109-1-S1 [1,0,0,1,0,0|1,0,1]=4 399 B5R1.4 C[C@@H]1O[C@@H]1C 2109-1-Z0 [1,0,0,1,0,0|1,0,1]=4 400 B5R1.4 C[C@@H]1O[C@H]1C 2109-1-E0 [1,0,0,1,0,0|1,0,1]=4 401 B5R1.5 CC1(C)CO1 2109-1-03 [1,0,0,1,0,0|0,0,1]=3 402 B5R1.5 CC1(N)CC1 3230-5-01 [1,0,0,1,0,0|1,0,1]=4 403 B5R1.1 C1=CCCC1 1400-1-05 [1,0,0,1,0,0|1,0,0]=3 404 B5R1.1 C1=CCNC1 3431-1-X0 [1,0,0,1,0,0|2,0,0]=4 405 B5R1.1 C1=CCOC1 2H10-1-00 [1,0,0,1,0,0|2,0,0]=4 406 B5R1.1 C1=COCC1 2H10-1-X7 [1,0,0,1,0,0|0,0,2]=4 407 B5R1.1 C1CCCC1 1200-1-05 [1,0,0,1,0,0|1,0,1]=4 408 B5R1.1 C1CCNC1 3H31-1-Z9 [1,0,0,1,0,0|1,0,1]=4 409 B5R1.1 C1CCOC1 6H60-1-13 [1,0,0,1,0,0|0,0,2]=4 410 B7R1.1 BrCC1CCCC1 1200-9-X1 [0,1,0,1,0,0|1,0,1]=4 411 B7R1.1 CNC1CCCC1 3231-1-03 [0,1,0,1,0,0|1,0,1]=4 412 B7R1.1 COC1CCCC1 2207-1-01 [0,1,0,1,0,0|1,0,1]=4 413 B7R1.1 ICC1CCCC1 1200-H-X0 [0,1,0,1,0,0|1,0,1]=4 414 B7R1.1 NCC1CCOC1 4H56-1-Q2 [0,1,0,1,0,0|0,0,2]=4 415 B7R1.1 NCC1CCOC1 4H56-5-60 [0,1,0,1,0,0|0,0,2]=4 416 B7R1.1 OCC1CC=CC1 2401-1-06 [0,1,0,1,0,0|1,0,0]=3 417 B7R1.1 OCC1CCCC1 2301-1-X3 [0,1,0,1,0,0|1,0,1]=4 418 B7R1.1 OCC1CCNC1 4H56-5-0C [0,1,0,1,0,0|1,0,1]=4 419 B7R1.1 OCC1CCOC1 2H10-1-34 [0,1,0,1,0,0|0,0,2]=4 420 B7R1.1 OC[C@@H]1CCNC1 4H56-1-R0 [0,1,0,1,0,0|1,0,1]=4 421 B7R1.2 CC1=CC(=O)CC1 2417-1-07 [0,1,0,1,0,0|0,0,2]=4 422 B7R1.2 CC1=NNC(=O)C1 4H17-1-1W [0,1,0,1,0,0|1,0,1]=4 423 B7R1.2 O=C1CCC(=O)C1 P911-A-79 [0,1,0,1,0,0|1,0,1]=4 424 B7R1.2 O=C1COC(=O)C1 2H25-1-29 [0,1,0,1,0,0|1,0,1]=4 425 B7R1.2 O=C1C[C@H](O)CN1 4H20-1-X7 [0,1,0,1,0,0|1,0,0]=3 426 B7R1.2 O=C1OCC(F)O1 2H28-3-04 [0,1,0,1,0,0|2,0,0]=4 427 B7R1.2 O=C1OCC(F)O1 2H28-3-04H [0,1,0,1,0,0|2,0,0]=4 428 B7R1.3 CC1=CCC=CC1 1200-1-0A [0,1,0,1,0,0|1,0,1]=4 429 B7R1.3 CC1CCCCC1 1200-1-19 [0,1,0,1,0,0|1,0,1]=4 430 B7R1.3 CC1CCCCN1 3H31-1-00 [0,1,0,1,0,0|1,0,1]=4 431 B7R1.3 CC1CCNCC1 3H31-1-Q3 [0,1,0,1,0,0|1,0,1]=4 432 B7R1.3 CC1CNCCO1 4H56-1-9N [0,1,0,1,0,0|1,0,1]=4 433 B7R1.3 CC1COCCN1 4H56-1-98 [0,1,0,1,0,0|0,0,2]=4 434 B7R1.3 C[C@@H]1COCCN1 4H56-1-9Y [0,1,0,1,0,0|0,0,2]=4 435 B7R1.3 C[C@@H]1COCCN1 4H56-5-CX [0,1,0,1,0,0|0,0,2]=4 436 B7R1.3 C[C@H]1CCCCN1 3H31-1-S5 [0,1,0,1,0,0|1,0,1]=4 437 B7R1.3 C[C@H]1CNCCN1 3H31-1-P8 [0,1,0,1,0,0|1,0,1]=4 438 B7R1.3 [C@@H]1(C)CNCCN1 3H31-1-R1 [0,1,0,1,0,0|1,0,1]=4 439 B7R1.10 C=C1CC(C#N)C1 3337-1-X9 [0,1,0,1,0,0|1,0,1]=4 440 B7R1.25 CC1(CN)CCC1 3230-5-02 [0,1,0,1,0,0|1,0,1]=4 441 B7R1.25 CC1(CO)COC1 2H10-1-54 [0,1,0,1,0,0|2,0,0]=4 442 B7R1.12 O=C(O)C1CC1F 2221-3-0B [0,1,0,1,0,0|1,0,0]=3 443 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F 2221-3-25 [0,1,0,1,0,0|1,0,0]=3 444 B7R1.20 O=C(O)CC1CC1 2221-1-X4 [0,1,0,1,0,0|0,0,0]=2 445 B7R1.14 CC1(O)CCCC1 2201-1-01 [0,1,0,1,0,0|1,0,1]=4 446 B7R1.14 CC1(O)CCNC1 4H01-1-5R [0,1,0,1,0,0|1,0,1]=4 447 B7R1.14 CC1(O)CCNC1 4H56-5-0D [0,1,0,1,0,0|1,0,1]=4 448 B7R1.26 CC(C)(C)C1CO1 2109-1-0A [0,1,0,1,0,0|0,0,2]=4 449 B7R2.13 C1NCC2CC12 3H31-5-90 [0,0,0,2,0,0|1,0,1]=4 450 B7R2.5 NC12CC(C1)C2 3230-5-19 [0,0,0,2,0,0|1,0,1]=4