0 B6R1.2 BrC1=CSC=C1 P612-A-43 [0,0,0,0,0,0|1,0,3]=4 1 B6R1.2 BrC1=CSC=N1 7H70-9-X6 [0,0,0,0,0,0|2,0,2]=4 2 B6R1.2 BrC1CCCC1 1200-9-01 [0,0,0,0,0,0|2,0,1]=3 3 B6R1.2 CC1=CSC=C1 5H66-1-X5 [0,0,0,0,0,0|1,0,3]=4 4 B6R1.2 CC1=CSC=N1 7H70-1-6L [0,0,0,0,0,0|2,0,2]=4 5 B6R1.2 CC1CCCC1 1200-1-07 [0,0,0,0,0,0|2,0,1]=3 6 B6R1.2 CC1CCCO1 2H10-1-01 [0,0,0,0,0,0|3,0,1]=4 7 B6R1.2 CC1CCNC1 3H31-5-95 [0,0,0,0,0,0|2,0,1]=3 8 B6R1.2 C[C@@H]1CCCN1 3H31-5-3F [0,0,0,0,0,0|3,0,1]=4 9 B6R1.2 C[C@H]1CCCN1 3H31-5-S6 [0,0,0,0,0,0|3,0,1]=4 10 B6R1.2 C[C@H]1CCNC1 3H31-5-S5 [0,0,0,0,0,0|2,0,1]=3 11 B6R1.2 ClC1=CSC=C1 5H70-5-X0 [0,0,0,0,0,0|1,0,3]=4 12 B6R1.2 ClC1CCCC1 1200-5-02 [0,0,0,0,0,0|2,0,1]=3 13 B6R1.2 FC1CCNC1 3H31-3-64 [0,0,0,0,0,0|2,0,1]=3 14 B6R1.2 F[C@@H]1CCNC1 3H31-3-R2 [0,0,0,0,0,0|2,0,1]=3 15 B6R1.2 F[C@@H]1CCNC1 3H31-7-05 [0,0,0,0,0,0|2,0,1]=3 16 B6R1.2 F[C@H]1CCNC1 3H31-3-S2 [0,0,0,0,0,0|2,0,1]=3 17 B6R1.2 F[C@H]1CCNC1 3H31-7-X5 [0,0,0,0,0,0|2,0,1]=3 18 B6R1.2 IC1=CSC=C1 5H66-H-03 [0,0,0,0,0,0|1,0,3]=4 19 B6R1.2 NC1=CSC=C1 8H66-1-2Z [0,0,0,0,0,0|1,0,3]=4 20 B6R1.2 NC1=NCCS1 7H30-5-01 [0,0,0,0,0,0|4,0,0]=4 21 B6R1.2 NC1CCOC1 4H30-1-07 [0,0,0,0,0,0|1,1,1]=3 22 B6R1.2 NC1CCOC1 4H56-5-2A [0,0,0,0,0,0|1,1,1]=3 23 B6R1.2 N[C@@H]1CCOC1 4H56-1-R04 [0,0,0,0,0,0|1,1,1]=3 24 B6R1.2 N[C@@H]1CCOC1 4H56-5-R0 [0,0,0,0,0,0|1,1,1]=3 25 B6R1.2 N[C@H]1CCOC1 4H56-1-S13 [0,0,0,0,0,0|1,1,1]=3 26 B6R1.2 O=C1C=CCC1 2417-1-X0 [0,0,0,0,0,0|1,0,1]=2 27 B6R1.2 O=C1C=CSN1 8H70-1-M7 [0,0,0,0,0,0|1,0,2]=3 28 B6R1.2 O=C1CCCC1 2217-1-01 [0,0,0,0,0,0|1,0,0]=1 29 B6R1.2 O=C1CCNC1 4H17-5-04 [0,0,0,0,0,0|1,0,0]=1 30 B6R1.2 O=C1CCOC1 2H17-1-Y1 [0,0,0,0,0,0|0,1,0]=1 31 B6R1.2 O=C1CCSC1 6H66-1-Y6 [0,0,0,0,0,0|0,0,0]=0 32 B6R1.2 O=C1N=CNN1 4H48-1-KB [0,0,0,0,0,0|3,0,1]=4 33 B6R1.2 O=C1NCCS1 8H70-1-8S [0,0,0,0,0,0|3,0,0]=3 34 B6R1.2 OC1CC=CC1 2402-1-00 [0,0,0,0,0,0|1,0,3]=4 35 B6R1.2 OC1CCNC1 4H01-5-23 [0,0,0,0,0,0|1,0,2]=3 36 B6R1.2 OC1CCNC1 4H56-1-831 [0,0,0,0,0,0|1,0,2]=3 37 B6R1.2 OC1CCOC1 2H10-1-87 [0,0,0,0,0,0|0,1,2]=3 38 B6R1.2 O[C@@H]1CCNC1 4H01-1-M0 [0,0,0,0,0,0|1,0,2]=3 39 B6R1.2 O[C@@H]1CCNC1 4H56-1-R3 [0,0,0,0,0,0|1,0,2]=3 40 B6R1.2 O[C@@H]1CCOC1 2H01-1-Y2 [0,0,0,0,0,0|0,1,2]=3 41 B6R1.2 O[C@H]1CCNC1 4H01-1-M4 [0,0,0,0,0,0|1,0,2]=3 42 B6R1.2 O[C@H]1CCNC1 4H56-5-J2 [0,0,0,0,0,0|1,0,2]=3 43 B6R1.2 O[C@H]1CCOC1 G311-A-08 [0,0,0,0,0,0|0,1,2]=3 44 B6R1.2 S=C1CCCN1 7H67-1-31 [0,0,0,0,0,0|2,1,0]=3 45 B5R1.1 C1=CCCC1 1400-1-05 [1,0,0,0,0,0|1,0,1]=3 46 B5R1.1 C1=CCNC1 3431-1-X0 [1,0,0,0,0,0|1,0,1]=3 47 B5R1.1 C1=CCOC1 2H10-1-00 [1,0,0,0,0,0|0,1,1]=3 48 B5R1.1 C1=COCC1 2H10-1-X7 [1,0,0,0,0,0|0,1,1]=3 49 B5R1.1 C1=CSC=C1 5H66-1-07 [1,0,0,0,0,0|0,0,3]=4 50 B5R1.1 C1=CSC=N1 7H70-1-58 [1,0,0,0,0,0|1,0,2]=4 51 B5R1.1 C1CCCC1 1200-1-05 [1,0,0,0,0,0|1,0,1]=3 52 B5R1.1 C1CCNC1 3H31-1-Z9 [1,0,0,0,0,0|1,0,1]=3 53 B5R1.1 C1CCOC1 6H60-1-13 [1,0,0,0,0,0|0,1,1]=3 54 B7R1.1 BrCC1CCCC1 1200-9-X1 [0,1,0,0,0,0|2,0,1]=4 55 B7R1.1 CNC1CCCC1 3231-1-03 [0,1,0,0,0,0|2,0,1]=4 56 B7R1.1 COC1CCCC1 2207-1-01 [0,1,0,0,0,0|1,0,2]=4 57 B7R1.1 ICC1CCCC1 1200-H-X0 [0,1,0,0,0,0|2,0,1]=4 58 B7R1.1 N#CC1CCOC1 3H37-1-4Z [0,1,0,0,0,0|1,1,1]=4 59 B7R1.1 N#CN1CCCC1 3H37-1-M1 [0,1,0,0,0,0|3,0,0]=4 60 B7R1.1 NCC1CCOC1 4H56-1-Q2 [0,1,0,0,0,0|1,1,1]=4 61 B7R1.1 NCC1CCOC1 4H56-5-60 [0,1,0,0,0,0|1,1,1]=4 62 B7R1.1 NNC1CCCC1 P911-A-67 [0,1,0,0,0,0|2,0,1]=4 63 B7R1.1 O=CC1=CSC=C1 6H15-1-X1 [0,1,0,0,0,0|0,0,3]=4 64 B7R1.1 O=CC1=CSC=N1 8H15-1-04 [0,1,0,0,0,0|1,0,2]=4 65 B7R1.1 O=CC1CCOC1 2H15-1-1K [0,1,0,0,0,0|0,1,1]=3 66 B7R1.1 OCC1CCCC1 2301-1-X3 [0,1,0,0,0,0|1,0,2]=4 67 B7R1.1 OCC1CCNC1 4H56-5-0C [0,1,0,0,0,0|1,0,2]=4 68 B7R1.1 OCC1CCOC1 2H10-1-34 [0,1,0,0,0,0|0,1,2]=4 69 B7R1.1 OC[C@@H]1CCNC1 4H56-1-R0 [0,1,0,0,0,0|1,0,2]=4 70 B7R1.2 CC1=CC(=O)CC1 2417-1-07 [0,1,0,0,0,0|1,0,1]=3 71 B7R1.2 CC1=NNC(=O)C1 4H17-1-1W [0,1,0,0,0,0|2,0,1]=4 72 B7R1.2 CN1CCC(O)C1 4H56-1-Z4 [0,1,0,0,0,0|1,0,2]=4 73 B7R1.2 CN1CC[C@@H](O)C1 4H56-1-R1 [0,1,0,0,0,0|1,0,2]=4 74 B7R1.2 CN1CC[C@H](O)C1 4H56-1-S4 [0,1,0,0,0,0|1,0,2]=4 75 B7R1.2 NC1=NC(=O)CS1 8H70-1-M4 [0,1,0,0,0,0|1,0,1]=3 76 B7R1.2 NC1=NC(=O)CS1 8H70-5-W0 [0,1,0,0,0,0|1,0,1]=3 77 B7R1.2 O=C1CCC(=O)C1 P911-A-79 [0,1,0,0,0,0|1,0,0]=2 78 B7R1.2 O=C1CCC(=O)N1 4H48-1-N0 [0,1,0,0,0,0|2,0,0]=3 79 B7R1.2 O=C1CCC(=O)O1 2H26-1-X5 [0,1,0,0,0,0|2,0,0]=3 80 B7R1.2 O=C1COC(=O)C1 2H25-1-29 [0,1,0,0,0,0|0,1,1]=3 81 B7R1.2 O=C1C[C@H](O)CN1 4H20-1-X7 [0,1,0,0,0,0|2,0,0]=3 82 B7R1.2 O=C1OCC(F)O1 2H28-3-04 [0,1,0,0,0,0|3,0,0]=4 83 B7R1.2 O=C1OCC(F)O1 2H28-3-04H [0,1,0,0,0,0|3,0,0]=4 84 B7R1.4 BrC1=C(Br)CCC1 1400-9-X1T [0,1,0,0,0,0|2,0,1]=4 85 B7R1.4 NC1CCSC1=O 8H70-5-Z1 [0,1,0,0,0,0|2,0,0]=3 86 B7R1.4 NN1CCCC1=O 4H48-5-BN [0,1,0,0,0,0|2,0,0]=3 87 B7R1.4 O=C1CCCC1Cl 2217-5-04 [0,1,0,0,0,0|1,0,0]=2 88 B7R1.4 O=C1NCCC1O 4H20-1-X1 [0,1,0,0,0,0|2,0,0]=3 89 B7R1.4 O=C1OCCC1Br 2125-9-01 [0,1,0,0,0,0|2,0,0]=3 90 B7R1.14 CC1(O)CCCC1 2201-1-01 [0,1,0,0,0,0|1,0,2]=4 91 B7R1.14 CC1(O)CCNC1 4H01-1-5R [0,1,0,0,0,0|1,0,2]=4 92 B7R1.14 CC1(O)CCNC1 4H56-5-0D [0,1,0,0,0,0|1,0,2]=4 93 B7R1.14 FC1(F)CCNC1 3H31-7-X7 [0,1,0,0,0,0|2,0,1]=4 94 B7R1.14 O=S1(=O)CCCC1 6H70-1-05 [0,1,0,0,0,0|2,0,0]=3 95 B7R1.14 O=S1(=O)CCCC1 6H70-1-05B [0,1,0,0,0,0|2,0,0]=3 96 B5R0.1 C=COC(C)=O 2324-1-50 [0,0,1,0,0,0|2,0,1]=4 97 B5R0.1 CC#CC(=O)O 2521-1-13 [0,0,1,0,0,0|2,0,1]=4 98 B5R0.1 CC(C)=CCBr 1300-9-X0 [0,0,1,0,0,0|2,0,1]=4 99 B5R0.1 CC(C)=CCCl 1300-5-X0 [0,0,1,0,0,0|2,0,1]=4 100 B5R0.1 CC(C)CCI 1100-H-X4 [0,0,1,0,0,0|2,0,1]=4 101 B5R0.1 CC(C)CCN 3130-1-X4 [0,0,1,0,0,0|2,0,1]=4 102 B5R0.1 CC(C)CCO 2101-1-53 [0,0,1,0,0,0|1,1,1]=4 103 B5R0.1 CC(N)CCO 4156-1-4D [0,0,1,0,0,0|1,1,1]=4 104 B5R0.1 CCCC(=O)Cl 2116-5-09 [0,0,1,0,0,0|2,0,0]=3 105 B5R0.1 CCCC(=O)[O-] 2122-1-X1 [0,0,1,0,0,0|2,0,0]=3 106 B5R0.1 CCCC(C)C 1100-1-04 [0,0,1,0,0,0|2,0,1]=4 107 B5R0.1 CCCC(C)O 2102-1-52 [0,0,1,0,0,0|1,0,2]=4 108 B5R0.1 CCNC(N)=O 4153-1-X1 [0,0,1,0,0,0|3,0,0]=4 109 B5R0.1 CN(C)CCN 3132-1-X2 [0,0,1,0,0,0|3,0,0]=4 110 B5R0.1 COCC(=O)Cl 2116-5-X4 [0,0,1,0,0,0|1,1,0]=3 111 B5R0.1 CSCC(=O)O 6166-1-05 [0,0,1,0,0,0|1,0,0]=2 112 B5R0.1 C[C@@H](N)CCO 4156-1-RB [0,0,1,0,0,0|1,1,1]=4 113 B5R0.1 C[C@@H](O)CCO 2101-1-X0 [0,0,1,0,0,0|0,1,2]=4 114 B5R0.1 NC(=O)CCBr 4148-9-00 [0,0,1,0,0,0|2,0,0]=3 115 B5R0.1 NC(=O)CCCl 4148-5-02 [0,0,1,0,0,0|2,0,0]=3 116 B5R0.1 O=C(O)CCO 2129-1-Y8 [0,0,1,0,0,0|1,1,0]=3 117 B5R0.2 C#CCCCC 1500-1-X2 [0,0,1,0,0,0|2,0,1]=4 118 B5R0.2 C=CCCCBr 1300-9-13 [0,0,1,0,0,0|3,0,0]=4 119 B5R0.2 C=CCCCC 1300-1-48 [0,0,1,0,0,0|2,0,0]=3 120 B5R0.2 CCCCC=O 2115-1-00 [0,0,1,0,0,0|1,0,0]=2 121 B5R0.2 CCCCCC 1100-1-18 [0,0,1,0,0,0|2,0,1]=4 122 B5R0.2 CCCCCF 1100-3-65 [0,0,1,0,0,0|2,0,1]=4 123 B5R0.2 CCCCCN 3130-1-X6 [0,0,1,0,0,0|2,0,1]=4 124 B5R0.2 CCNCCN 3130-1-X2 [0,0,1,0,0,0|2,0,1]=4 125 B5R0.2 CCSCCCl 5166-5-01 [0,0,1,0,0,0|1,0,1]=3 126 B5R0.2 CNCCNC 3131-1-17 [0,0,1,0,0,0|3,0,0]=4 127 B5R0.2 COCCCBr 2107-9-02 [0,0,1,0,0,0|1,1,1]=4 128 B5R0.2 COCCOC 2108-1-00 [0,0,1,0,0,0|2,1,0]=4 129 B5R0.2 CSCCCN 8166-1-X3 [0,0,1,0,0,0|1,0,1]=3 130 B5R0.3 C#CC(=O)OC 2523-1-X1 [0,0,1,0,0,0|2,0,1]=4 131 B5R0.3 C=C(CCl)CCl 1300-5-X1 [0,0,1,0,0,0|3,0,0]=4 132 B5R0.3 C=C(CO)CO 2304-1-X0 [0,0,1,0,0,0|2,1,0]=4 133 B5R0.3 CCC(=O)CBr 2117-9-01 [0,0,1,0,0,0|1,0,0]=2 134 B5R0.3 CCC(C)CN 3130-1-X5 [0,0,1,0,0,0|2,0,1]=4 135 B5R0.3 CCC(N)CC 3130-1-14 [0,0,1,0,0,0|2,0,1]=4 136 B5R0.3 CCC(N)CO 4156-1-38 [0,0,1,0,0,0|1,1,1]=4 137 B5R0.3 CCC(O)CN 4156-1-Z4 [0,0,1,0,0,0|1,0,2]=4 138 B5R0.3 CC[C@@H](N)CO 4156-1-R4 [0,0,1,0,0,0|1,1,1]=4 139 B5R0.3 CC[C@H](N)CO 4156-1-W2 [0,0,1,0,0,0|1,1,1]=4 140 B5R0.3 COC(=O)CBr 2123-9-36 [0,0,1,0,0,0|2,0,0]=3 141 B5R0.3 COC(=O)CN 4158-5-40 [0,0,1,0,0,0|2,0,0]=3 142 B5R0.3 COC(=O)CO 2129-1-X2 [0,0,1,0,0,0|1,1,0]=3 143 B5R0.3 COC(=O)CS 6161-1-X3 [0,0,1,0,0,0|1,0,0]=2 144 B5R0.3 COC(=O)NN 4156-1-39 [0,0,1,0,0,0|3,0,0]=4 145 B5R0.3 O=C(CBr)CBr 2117-9-03 [0,0,1,0,0,0|2,0,0]=3 146 B5R0.3 O=C(CF)CF 2117-3-09 [0,0,1,0,0,0|2,0,0]=3 147 B5R0.3 OCC(O)CS 6161-1-X4 [0,0,1,0,0,0|1,0,2]=4 148 B7R2.13 C1CC2OC2C1 2209-1-X1 [0,0,0,1,0,0|1,0,2]=4 149 B7R2.13 C1NCC2CC12 3H31-5-90 [0,0,0,1,0,0|2,0,1]=4 150 B7R2.13 C1OCC2OC12 2H10-1-Y2 [0,0,0,1,0,0|0,1,2]=4 151 B5R1.2 BrC1CCC1 1200-9-17 [0,0,0,0,1,0|1,0,1]=3 152 B5R1.2 BrC1COC1 2H10-9-07 [0,0,0,0,1,0|1,1,1]=4 153 B5R1.2 FC1CNC1 3231-7-01 [0,0,0,0,1,0|2,0,1]=4 154 B5R1.2 IC1COC1 2H10-H-05 [0,0,0,0,1,0|1,1,1]=4 155 B5R1.2 NC1CCC1 3230-1-X4 [0,0,0,0,1,0|1,0,1]=3 156 B5R1.2 NC1CNC1 3H30-5-38 [0,0,0,0,1,0|2,0,1]=4 157 B5R1.2 O=C1CCC1 2217-1-X6 [0,0,0,0,1,0|0,0,0]=1 158 B5R1.2 O=C1CCN1 4H48-1-F4 [0,0,0,0,1,0|1,0,0]=2 159 B5R1.2 O=C1CNC1 4H56-5-05 [0,0,0,0,1,0|1,0,0]=2 160 B5R1.2 O=C1COC1 2H17-1-05 [0,0,0,0,1,0|0,1,0]=2 161 B5R1.2 O=C1CSC1 6H66-1-39 [0,0,0,0,1,0|0,0,0]=1 162 B5R1.2 OC1CNC1 4H01-5-63 [0,0,0,0,1,0|1,0,2]=4 163 B5R1.2 OC1COC1 2H01-1-X3 [0,0,0,0,1,0|0,1,2]=4 164 B7R1.3 BrC1CCOCC1 2H10-9-19 [0,0,0,0,0,1|1,1,1]=4 165 B7R1.3 CC1=CCC=CC1 1200-1-0A [0,0,0,0,0,1|2,0,1]=4 166 B7R1.3 CC1=CCCCC1 1400-1-04 [0,0,0,0,0,1|2,0,0]=3 167 B7R1.3 CC1=CCCNC1 3H31-5-0N [0,0,0,0,0,1|2,0,0]=3 168 B7R1.3 CC1CCCCC1 1200-1-19 [0,0,0,0,0,1|2,0,1]=4 169 B7R1.3 CC1CCCCN1 3H31-1-00 [0,0,0,0,0,1|2,0,1]=4 170 B7R1.3 CC1CCNCC1 3H31-1-Q3 [0,0,0,0,0,1|2,0,1]=4 171 B7R1.3 CC1CNCCO1 4H56-1-9N [0,0,0,0,0,1|2,0,1]=4 172 B7R1.3 CC1COCCN1 4H56-1-98 [0,0,0,0,0,1|1,1,1]=4 173 B7R1.3 CN1CCNCC1 3H32-1-L1 [0,0,0,0,0,1|3,0,0]=4 174 B7R1.3 CN1CCOCC1 4H44-1-03 [0,0,0,0,0,1|2,1,0]=4 175 B7R1.3 C[C@@H]1COCCN1 4H56-1-9Y [0,0,0,0,0,1|1,1,1]=4 176 B7R1.3 C[C@@H]1COCCN1 4H56-5-CX [0,0,0,0,0,1|1,1,1]=4 177 B7R1.3 C[C@H]1CCCCN1 3H31-1-S5 [0,0,0,0,0,1|2,0,1]=4 178 B7R1.3 C[C@H]1CNCCN1 3H31-1-P8 [0,0,0,0,0,1|2,0,1]=4 179 B7R1.3 FC1CCCCC1 1200-3-02 [0,0,0,0,0,1|2,0,1]=4 180 B7R1.3 FC1CCNCC1 3H31-7-X9 [0,0,0,0,0,1|2,0,1]=4 181 B7R1.3 IC1CCOCC1 2H10-H-X0 [0,0,0,0,0,1|1,1,1]=4 182 B7R1.3 NC1CCCNC1 3H30-5-61 [0,0,0,0,0,1|2,0,1]=4 183 B7R1.3 NC1CCOCC1 G311-A-59 [0,0,0,0,0,1|1,1,1]=4 184 B7R1.3 NC1CCOCC1 P911-A-50 [0,0,0,0,0,1|1,1,1]=4 185 B7R1.3 NC1CCSCC1 7H66-1-Y1 [0,0,0,0,0,1|1,0,1]=3 186 B7R1.3 NN1CCOCC1 4H56-1-VA [0,0,0,0,0,1|2,1,0]=4 187 B7R1.3 O=C1C=CCCC1 2417-1-X1 [0,0,0,0,0,1|1,0,1]=3 188 B7R1.3 O=C1C=CCCO1 2H25-1-78 [0,0,0,0,0,1|1,0,1]=3 189 B7R1.3 O=C1CCCCN1 4H48-1-1L [0,0,0,0,0,1|1,0,0]=2 190 B7R1.3 O=C1CCCCO1 2H25-1-X4 [0,0,0,0,0,1|1,0,0]=2 191 B7R1.3 O=C1CCCNC1 4H56-5-M8 [0,0,0,0,0,1|1,0,0]=2 192 B7R1.3 O=C1CCCOC1 2H17-1-09 [0,0,0,0,0,1|0,1,0]=2 193 B7R1.3 O=C1CCCSC1 6H66-1-40 [0,0,0,0,0,1|0,0,0]=1 194 B7R1.3 O=C1CCNCC1 4H17-1-3B [0,0,0,0,0,1|1,0,0]=2 195 B7R1.3 O=C1CCNCC1 4H56-5-3R [0,0,0,0,0,1|1,0,0]=2 196 B7R1.3 O=C1CCOCC1 P911-A-16 [0,0,0,0,0,1|0,1,0]=2 197 B7R1.3 O=C1CCSCC1 6H66-1-Y7 [0,0,0,0,0,1|0,0,0]=1 198 B7R1.3 O=C1CNCCN1 4H48-1-W4 [0,0,0,0,0,1|1,0,0]=2 199 B7R1.3 O=C1COCCN1 4H58-1-05 [0,0,0,0,0,1|0,1,0]=2 200 B7R1.3 O=C1OCCCO1 2H28-1-13 [0,0,0,0,0,1|2,0,0]=3 201 B7R1.3 OC1CCCNC1 4H56-5-90 [0,0,0,0,0,1|1,0,2]=4 202 B7R1.3 OC1CCCOC1 2H10-1-41 [0,0,0,0,0,1|0,1,2]=4 203 B7R1.3 OC1CCNCC1 4H56-1-UJ [0,0,0,0,0,1|1,0,2]=4 204 B7R1.3 OC1CCOCC1 2H10-1-Y4 [0,0,0,0,0,1|0,1,2]=4 205 B7R1.3 O[C@@H]1CCCNC1 4H56-5-R4 [0,0,0,0,0,1|1,0,2]=4 206 B7R1.3 O[C@H]1CCCNC1 4H56-1-SD [0,0,0,0,0,1|1,0,2]=4 207 B7R1.3 SC1CCCCC1 5261-1-04 [0,0,0,0,0,1|1,1,1]=4 208 B7R1.3 [C@@H]1(C)CNCCN1 3H31-1-R1 [0,0,0,0,0,1|2,0,1]=4 209 B7R1.3 [C@@H]1(N)CCCNC1 3H30-5-R1 [0,0,0,0,0,1|2,0,1]=4 210 B7R1.3 [C@H]1(N)CCCNC1 3H30-5-V8 [0,0,0,0,0,1|2,0,1]=4 211 B7R1.3 [C@H]1(O)CCCNC1 4H56-5-L3 [0,0,0,0,0,1|1,0,2]=4 212 B7R1.3 [NH3+]C1CCOCC1 4H30-1-Y9 [0,0,0,0,0,1|1,1,1]=4 213 B4R0.1 C=C(Br)CC 1300-9-24 [1,0,1,0,0,0|1,0,1]=4 214 B4R0.1 C=C(C)CBr 1300-9-00 [1,0,1,0,0,0|2,0,0]=4 215 B4R0.1 C=C(C)CC 1300-1-21 [1,0,1,0,0,0|1,0,0]=3 216 B4R0.1 C=C(C)CN 3330-1-X1 [1,0,1,0,0,0|2,0,0]=4 217 B4R0.1 C=C(C)CN 3330-5-X0 [1,0,1,0,0,0|2,0,0]=4 218 B4R0.1 C=C(C)OC 2307-1-01 [1,0,1,0,0,0|1,1,0]=4 219 B4R0.1 CC(=O)C=O 2117-1-X0 [1,0,1,0,0,0|0,1,1]=4 220 B4R0.1 CC(=O)C=O 2117-1-X0A [1,0,1,0,0,0|0,1,1]=4 221 B4R0.1 CC(=O)CF 2117-3-10 [1,0,1,0,0,0|1,0,0]=3 222 B4R0.1 CC(=O)CO 2120-1-01 [1,0,1,0,0,0|0,1,0]=3 223 B4R0.1 CC(=O)NN 4156-1-2V [1,0,1,0,0,0|2,0,0]=4 224 B4R0.1 CCC(=N)N 3141-5-03 [1,0,1,0,0,0|2,0,0]=4 225 B4R0.1 CCC(C)Cl 1100-5-25 [1,0,1,0,0,0|1,0,1]=4 226 B4R0.1 CCC(C)F 1100-3-47 [1,0,1,0,0,0|1,0,1]=4 227 B4R0.1 CCC(C)I 1100-H-X6 [1,0,1,0,0,0|1,0,1]=4 228 B4R0.1 CC[C@@H](C)O 2101-1-R1 [1,0,1,0,0,0|0,0,2]=4 229 B4R0.1 CSC(=N)N 7167-H-X1 [1,0,1,0,0,0|2,0,0]=4 230 B4R0.1 CSC(=N)N 8167-1-01 [1,0,1,0,0,0|2,0,0]=4 231 B4R0.1 NC(=O)CBr 4148-9-X4 [1,0,1,0,0,0|2,0,0]=4 232 B4R0.1 NC(=O)CCl 4148-5-00 [1,0,1,0,0,0|2,0,0]=4 233 B4R0.1 O=C(Br)CBr 2116-9-03 [1,0,1,0,0,0|2,0,0]=4 234 B4R0.1 O=C(Cl)SCl 6171-5-00 [1,0,1,0,0,0|2,0,0]=4 235 B4R0.1 O=C(O)CBr 2121-9-01 [1,0,1,0,0,0|1,1,0]=4 236 B4R0.1 O=C(O)CI 2121-H-00 [1,0,1,0,0,0|1,1,0]=4 237 B4R0.1 O=C(O)CO 2129-1-20 [1,0,1,0,0,0|1,1,0]=4 238 B4R0.1 [C@@H](C)(N)CC 3130-1-S1 [1,0,1,0,0,0|1,0,1]=4 239 B4R0.1 [C@H](C)(N)CC 3130-1-R1 [1,0,1,0,0,0|1,0,1]=4 240 B4R0.2 C#CCCC 1500-1-X1 [1,0,1,0,0,0|1,0,1]=4 241 B4R0.2 C=CCCBr 1300-9-04 [1,0,1,0,0,0|1,0,1]=4 242 B4R0.2 C=CCCC 1300-1-09 [1,0,1,0,0,0|1,0,0]=3 243 B4R0.2 CCCC#N 3137-1-Y3 [1,0,1,0,0,0|1,0,1]=4 244 B4R0.2 CCCCBr 1100-9-15 [1,0,1,0,0,0|1,0,1]=4 245 B4R0.2 CCCCF 1100-3-32 [1,0,1,0,0,0|1,0,1]=4 246 B4R0.2 CCNCC 3133-5-06 [1,0,1,0,0,0|1,0,1]=4 247 B4R0.2 CCOCC 6160-3-09 [1,0,1,0,0,0|0,1,1]=4 248 B4R0.2 CCOCCl 2107-5-01 [1,0,1,0,0,0|1,1,0]=4 249 B4R0.2 CNCCCl 3133-5-05 [1,0,1,0,0,0|2,0,0]=4 250 B4R0.2 CNCCN 3131-1-11 [1,0,1,0,0,0|2,0,0]=4 251 B4R0.2 CNCCO 4156-1-3Y [1,0,1,0,0,0|1,0,1]=4 252 B4R0.2 COCCBr 2107-9-X1 [1,0,1,0,0,0|1,1,0]=4 253 B4R0.2 COCCCl 2107-5-0R [1,0,1,0,0,0|1,1,0]=4 254 B4R0.2 COCCN 4130-1-X3 [1,0,1,0,0,0|1,1,0]=4 255 B4R0.2 COCOC 2108-1-07 [1,0,1,0,0,0|1,1,0]=4 256 B4R0.2 CSCCN 7166-1-X1 [1,0,1,0,0,0|1,0,0]=3 257 B4R0.2 C\C=C\CC 1300-1-05 [1,0,1,0,0,0|1,0,1]=4 258 B6R0.1 CCCC(=O)NN 4156-1-15 [0,1,1,0,0,0|2,0,0]=4 259 B6R0.1 CCOC(=O)CCl 2123-5-01 [0,1,1,0,0,0|2,0,0]=4 260 B6R0.1 CCOC(=O)CN 4158-5-25 [0,1,1,0,0,0|2,0,0]=4 261 B6R0.1 CCOC(=O)CS 6161-1-03 [0,1,1,0,0,0|2,0,0]=4 262 B6R0.1 CNC(=O)CC#N 4148-1-X3 [0,1,1,0,0,0|1,0,1]=4 263 B6R0.1 CNC(=O)CCN 4148-1-13 [0,1,1,0,0,0|1,0,0]=3 264 B6R0.1 CNCC(=O)OC 4158-5-X0 [0,1,1,0,0,0|1,0,0]=3 265 B6R0.1 COC(=O)CC#N 4137-1-X2 [0,1,1,0,0,0|1,0,1]=4 266 B6R0.1 COC(=O)CCN 4158-1-02 [0,1,1,0,0,0|1,0,0]=3 267 B6R0.1 COC(=O)CSC 6166-1-06 [0,1,1,0,0,0|0,0,0]=2 268 B6R0.1 [C-]#[N+]CC(=O)OC 4149-1-06 [0,1,1,0,0,0|1,0,1]=4 269 B6R0.2 CC(=O)CC(C)=O 2118-1-01 [0,1,1,0,0,0|1,0,0]=3 270 B6R0.2 CC(=O)CC(C)C 2118-1-02 [0,1,1,0,0,0|1,0,0]=3 271 B6R0.2 CC(=O)\C=C(\C)N 4356-1-06 [0,1,1,0,0,0|1,0,1]=4 272 B6R0.2 CC(=O)\C=C(\C)[O-] 9128-1-X0 [0,1,1,0,0,0|1,0,1]=4 273 B6R0.2 CC(C)CC(N)=O 4148-1-Y7 [0,1,1,0,0,0|2,0,0]=4 274 B6R0.2 CC(O)CC(=O)[O-] 2129-1-35 [0,1,1,0,0,0|1,1,0]=4 275 B6R0.2 CN(C)CC(=O)O 4158-1-40 [0,1,1,0,0,0|2,0,0]=4 276 B6R0.3 CC(=O)C(=O)CBr 2118-9-01 [0,1,1,0,0,0|1,0,1]=4 277 B6R0.3 CCC(N)C(=O)O 4157-1-16 [0,1,1,0,0,0|2,0,0]=4 278 B6R0.3 CC[C@H](O)C(=O)O 2129-1-SF [0,1,1,0,0,0|2,0,0]=4 279 B6R0.3 CN[C@@H](C)C(=O)O 4157-1-07 [0,1,1,0,0,0|2,0,0]=4 280 B6R0.3 CON(C)C(C)=O 4148-1-44 [0,1,1,0,0,0|1,1,0]=4 281 B6R0.3 C\C=C(/C)C(C)=O 2317-1-02 [0,1,1,0,0,0|1,0,1]=4 282 B6R0.3 NCC(F)C(=O)O 4157-3-02 [0,1,1,0,0,0|2,0,0]=4 283 B6R0.3 N[C@@H](CS)C(=O)O 8158-1-01 [0,1,1,0,0,0|1,0,0]=3 284 B6R0.3 [C@@H](N)(CC)C(=O)O 4157-1-X5 [0,1,1,0,0,0|2,0,0]=4 285 B6R0.3 [C@H](N)(CC)C(=O)O 4157-1-X4 [0,1,1,0,0,0|2,0,0]=4 286 B6R0.4 C#CCCC(=O)O 2521-1-02 [0,1,1,0,0,0|2,0,0]=4 287 B6R0.4 C=CCCC(=O)Cl 2316-5-06 [0,1,1,0,0,0|2,0,0]=4 288 B6R0.4 C=CCOC(C)=O 2324-1-08 [0,1,1,0,0,0|1,0,1]=4 289 B6R0.4 CC(=O)CCCCl 2117-5-52 [0,1,1,0,0,0|1,0,0]=3 290 B6R0.4 CC(=O)NCCCl 4148-5-15 [0,1,1,0,0,0|1,0,0]=3 291 B6R0.4 CCCCC(=O)O 2121-1-0C [0,1,1,0,0,0|2,0,0]=4 292 B6R0.4 CCCOC(C)=O 2123-1-32 [0,1,1,0,0,0|1,0,0]=3 293 B6R0.4 CCOCC(=O)Cl 2116-5-0F [0,1,1,0,0,0|1,1,0]=4 294 B6R0.4 CNCCC(N)=O 4148-1-30 [0,1,1,0,0,0|2,0,0]=4 295 B6R0.4 NC(=O)NCCO 4153-1-02 [0,1,1,0,0,0|1,1,0]=4 296 B6R0.4 NCCCC(=O)O 4157-1-X2 [0,1,1,0,0,0|2,0,0]=4 297 B6R0.4 NCCNC(N)=O 4153-5-07 [0,1,1,0,0,0|2,0,0]=4 298 B6R0.4 O=C(Cl)CCCCl 2116-5-X5 [0,1,1,0,0,0|2,0,0]=4 299 B6R0.5 CS(=O)(=O)CCN 8163-5-X0 [0,1,1,0,0,0|2,0,0]=4 300 B6R0.6 C=CCCCCBr 1300-9-X5 [0,1,1,0,0,0|2,0,0]=4 301 B6R0.6 C=CCCCCO 2301-1-06 [0,1,1,0,0,0|2,0,0]=4 302 B6R0.6 CCCCCC=O 2115-1-X2 [0,1,1,0,0,0|1,0,0]=3 303 B6R1.5 NC1CC(O)C1 4256-1-30 [0,1,0,0,1,0|0,0,2]=4 304 B6R1.6 BrCC1CCC1 1200-9-21 [0,1,0,0,1,0|1,0,1]=4 305 B6R1.6 N#CC1CCC1 3237-1-05 [0,1,0,0,1,0|1,0,1]=4 306 B6R1.6 NCC1CCC1 3230-5-03 [0,1,0,0,1,0|1,0,1]=4 307 B6R1.6 O=CC1CCC1 2215-1-03 [0,1,0,0,1,0|0,0,1]=3 308 B6R1.10 C[Si]1(C)CCC1 5180-1-07 [0,1,0,0,1,0|1,1,0]=4 309 B8R1.2 C#CC1=CCCCC1 1500-1-15 [0,1,0,0,0,1|2,0,0]=4 310 B8R1.2 O=CC1=COCCC1 2H15-1-X8 [0,1,0,0,0,1|0,1,1]=4 311 B8R1.2 O=CC1CCCOC1 2H15-1-21 [0,1,0,0,0,1|0,1,1]=4 312 B8R1.2 O=CC1CCOCC1 P311-A-93 [0,1,0,0,0,1|0,1,1]=4 313 B8R1.2 O=CN1CCCCC1 4H15-1-W5 [0,1,0,0,0,1|2,0,0]=4 314 B8R1.3 CC1=NNC(=O)CC1 4H56-1-XC [0,1,0,0,0,1|2,0,0]=4 315 B8R1.3 CN1CCC(=O)CC1 4H56-1-7L [0,1,0,0,0,1|1,0,0]=3 316 B8R1.3 O=C1CNC(=O)CN1 4H48-1-Q2 [0,1,0,0,0,1|1,0,1]=4 317 B8R1.3 O=C1COC(=O)CO1 2H08-1-X0 [0,1,0,0,0,1|0,1,1]=4 318 B8R1.4 CC1CC(=O)CCO1 2H17-1-89 [0,1,0,0,0,1|0,1,0]=3 319 B8R1.4 CN1CCNC(=O)C1 4H48-1-YY [0,1,0,0,0,1|1,0,0]=3 320 B8R1.4 NC1=CC(=O)CCC1 4456-1-X0 [0,1,0,0,0,1|1,0,1]=4 321 B8R1.4 O=C1CCCC(=O)C1 2218-1-X3 [0,1,0,0,0,1|1,0,0]=3 322 B8R1.4 O=C1CCNC(=O)C1 4H48-1-67 [0,1,0,0,0,1|1,0,0]=3 323 B8R1.4 O=C1CSCC(=O)O1 6H66-1-00 [0,1,0,0,0,1|0,0,1]=3 324 B8R1.5 CC1=CCCCC1=O 2417-1-01 [0,1,0,0,0,1|1,0,1]=4 325 B8R1.5 CC1CCCCC1=O 2217-1-1E [0,1,0,0,0,1|1,0,0]=3 326 B8R1.5 CN1CCNCC1=O 4H17-1-16 [0,1,0,0,0,1|1,0,0]=3 327 B8R1.5 CN1CCNCC1=O 4H48-5-BC [0,1,0,0,0,1|1,0,0]=3 328 B8R1.5 CN1CCOCC1=O 4H48-1-4C [0,1,0,0,0,1|0,1,0]=3 329 B8R1.5 NC1CCCNC1=O 4H48-1-3C [0,1,0,0,0,1|1,0,0]=3 330 B8R1.5 O=C1CCCCC1=O 2218-1-X7 [0,1,0,0,0,1|1,0,0]=3 331 B8R1.5 O=C1CCNCC1F 4H56-7-14 [0,1,0,0,0,1|1,0,0]=3 332 B8R1.72 O=S1(=O)CCCCN1 8H69-1-W9 [0,1,0,0,0,1|2,0,0]=4 333 B8R1.72 O=S1(=O)CCNCC1 8H63-5-X5 [0,1,0,0,0,1|2,0,0]=4 334 B8R1.72 O=S1(=O)CCNCC1 P911-A-87 [0,1,0,0,0,1|2,0,0]=4 335 B8R1.1 C=CC1CCC(=O)N1 4H56-1-78 [0,2,0,0,0,0|2,0,0]=4 336 B8R1.1 O=C1CC[C@H](CO)N1 4H48-1-MC [0,2,0,0,0,0|2,0,0]=4 337 B8R1.7 C[N+](C)=C1CCCC1 7260-3-06 [0,2,0,0,0,0|2,0,0]=4 338 B8R1.7 NC(=O)C1CCCC1 4248-1-0J [0,2,0,0,0,0|1,0,1]=4 339 B8R1.7 O=C(Cl)C1CCCC1 2216-5-X0 [0,2,0,0,0,0|1,0,1]=4 340 B8R1.7 O=C(Cl)C1CCOC1 2H16-5-X0 [0,2,0,0,0,0|0,1,1]=4 341 B8R1.7 O=C(Cl)N1CCCC1 4H16-5-0R [0,2,0,0,0,0|2,0,0]=4 342 B8R1.7 O=C(O)C1=CCCC1 2421-1-01 [0,2,0,0,0,0|1,0,1]=4 343 B8R1.7 O=C(O)C1=COCC1 2H21-1-41 [0,2,0,0,0,0|0,1,1]=4 344 B8R1.7 O=C(O)C1CCNC1 4H21-1-43 [0,2,0,0,0,0|1,0,1]=4 345 B8R1.7 O=C(O)C1CCOC1 2H21-1-Y0 [0,2,0,0,0,0|0,1,1]=4 346 B8R1.7 O=C(O)[C@H]1CCNC1 4H21-1-S5 [0,2,0,0,0,0|1,0,1]=4 347 B8R1.11 N#CC1CCCC1=O 4237-1-X2 [0,2,0,0,0,0|1,0,0]=3 348 B8R1.50 CC1C(=O)CCC1=O 2218-1-X5 [0,2,0,0,0,0|1,0,0]=3 349 B8R1.50 O=C1CCC(=O)N1Br 4H48-9-01 [0,2,0,0,0,0|2,0,0]=4 350 B8R1.50 O=C1CCC(=O)N1Cl 4H48-5-01 [0,2,0,0,0,0|2,0,0]=4 351 B8R1.50 O=C1CCC(=O)N1I P911-A-33 [0,2,0,0,0,0|2,0,0]=4 352 B8R1.50 O=C1CCC(=O)N1O 4H48-1-M9 [0,2,0,0,0,0|2,0,0]=4 353 B8R1.50 O=C1COC(=O)C1Cl 2H18-5-02 [0,2,0,0,0,0|0,1,1]=4 354 B8R1.51 NC1CCS(=O)(=O)C1 8H70-5-X9 [0,2,0,0,0,0|2,0,0]=4 355 B8R1.19 CC1(C)CONC1=O 4H56-1-417 [0,2,0,0,0,0|1,1,0]=4 356 B6R1.11 CC(=O)C1CC1 2217-1-X9 [0,0,1,1,0,0|1,0,0]=3 357 B6R1.11 O=C(Cl)C1CC1 2216-5-X1 [0,0,1,1,0,0|2,0,0]=4 358 B6R1.11 O=C(O)C1CC1 2221-1-X1 [0,0,1,1,0,0|2,0,0]=4 359 B6R1.1 C1=CCOCC1 2H10-1-53 [0,0,1,1,0,0|1,1,0]=4 360 B6R1.1 C1CSCCN1 7H70-1-Z9 [0,0,1,1,0,0|1,0,1]=4 361 B6R1.1 C1CSCSC1 5H66-1-31 [0,0,1,1,0,0|0,1,1]=4 362 B8R2.38 O=C1CCC2CC12 2217-1-33 [0,0,0,1,0,1|1,0,0]=3 363 B4R1.1 C1CNC1 3H31-5-W1 [1,0,0,0,1,0|1,0,0]=3 364 B4R1.1 C1CNC1 P612-A-70 [1,0,0,0,1,0|1,0,0]=3 365 B4R1.2 BrC1CC1 1200-9-02 [0,0,0,0,2,0|1,0,1]=4 366 B4R1.2 NC1CC1 3230-1-X2 [0,0,0,0,2,0|1,0,1]=4 367 B8R1.22 O=C1CCCCCC1 2217-1-X7 [0,0,0,0,0,2|1,0,0]=3 368 B8R1.22 O=C1CCCCCN1 4H17-1-3G [0,0,0,0,0,2|1,0,0]=3 369 B8R1.22 O=C1CCCCCO1 2225-1-01 [0,0,0,0,0,2|1,0,0]=3 370 B8R1.22 O=C1CCCNCC1 P612-A-68 [0,0,0,0,0,2|1,0,0]=3 371 B8R1.22 O=C1CCNCCN1 4H17-1-01 [0,0,0,0,0,2|1,0,0]=3 372 B8R1.22 O=C1CCNCCN1 4H48-5-Z9 [0,0,0,0,0,2|1,0,0]=3 373 B8R1.22 O=C1CCOCCN1 4H48-1-0A5 [0,0,0,0,0,2|0,1,0]=3