0 B6R1.2 BrC1CCCC1 1200-9-01 [0,0,0,0,0,0|1,0,1]=2 1 B6R1.2 CC1CCCC1 1200-1-07 [0,0,0,0,0,0|1,0,1]=2 2 B6R1.2 CC1CCCO1 2H10-1-01 [0,0,0,0,0,0|2,0,1]=3 3 B6R1.2 CC1CCNC1 3H31-5-95 [0,0,0,0,0,0|2,0,1]=3 4 B6R1.2 CC1OCCO1 2H08-1-01 [0,0,0,0,0,0|3,0,1]=4 5 B6R1.2 C[C@@H]1CCCN1 3H31-5-3F [0,0,0,0,0,0|2,0,1]=3 6 B6R1.2 C[C@H]1CCCN1 3H31-5-S6 [0,0,0,0,0,0|2,0,1]=3 7 B6R1.2 C[C@H]1CCNC1 3H31-5-S5 [0,0,0,0,0,0|2,0,1]=3 8 B6R1.2 ClC1CCCC1 1200-5-02 [0,0,0,0,0,0|1,0,1]=2 9 B6R1.2 FC1CCNC1 3H31-3-64 [0,0,0,0,0,0|2,0,1]=3 10 B6R1.2 F[C@@H]1CCNC1 3H31-3-R2 [0,0,0,0,0,0|2,0,1]=3 11 B6R1.2 F[C@@H]1CCNC1 3H31-7-05 [0,0,0,0,0,0|2,0,1]=3 12 B6R1.2 F[C@H]1CCNC1 3H31-3-S2 [0,0,0,0,0,0|2,0,1]=3 13 B6R1.2 F[C@H]1CCNC1 3H31-7-X5 [0,0,0,0,0,0|2,0,1]=3 14 B6R1.2 NC1=NCCS1 7H30-5-01 [0,0,0,0,0,0|3,0,0]=3 15 B6R1.2 NC1CCOC1 4H30-1-07 [0,0,0,0,0,0|2,0,1]=3 16 B6R1.2 NC1CCOC1 4H56-5-2A [0,0,0,0,0,0|2,0,1]=3 17 B6R1.2 N[C@@H]1CCOC1 4H56-1-R04 [0,0,0,0,0,0|2,0,1]=3 18 B6R1.2 N[C@@H]1CCOC1 4H56-5-R0 [0,0,0,0,0,0|2,0,1]=3 19 B6R1.2 N[C@H]1CCOC1 4H56-1-S13 [0,0,0,0,0,0|2,0,1]=3 20 B6R1.2 O=C1C=CCC1 2417-1-X0 [0,0,0,0,0,0|0,0,2]=2 21 B6R1.2 O=C1C=CSN1 8H70-1-M7 [0,0,0,0,0,0|2,0,2]=4 22 B6R1.2 O=C1CCCC1 2217-1-01 [0,0,0,0,0,0|0,0,0]=0 23 B6R1.2 O=C1CCNC1 4H17-5-04 [0,0,0,0,0,0|1,0,0]=1 24 B6R1.2 O=C1CCOC1 2H17-1-Y1 [0,0,0,0,0,0|1,0,0]=1 25 B6R1.2 O=C1CCSC1 6H66-1-Y6 [0,0,0,0,0,0|1,0,0]=1 26 B6R1.2 O=C1N=CNN1 4H48-1-KB [0,0,0,0,0,0|3,0,1]=4 27 B6R1.2 O=C1NCCS1 8H70-1-8S [0,0,0,0,0,0|2,0,0]=2 28 B6R1.2 OC1CC=CC1 2402-1-00 [0,0,0,0,0,0|0,0,4]=4 29 B6R1.2 OC1CCNC1 4H01-5-23 [0,0,0,0,0,0|1,0,2]=3 30 B6R1.2 OC1CCNC1 4H56-1-831 [0,0,0,0,0,0|1,0,2]=3 31 B6R1.2 OC1CCOC1 2H10-1-87 [0,0,0,0,0,0|1,0,2]=3 32 B6R1.2 O[C@@H]1CCNC1 4H01-1-M0 [0,0,0,0,0,0|1,0,2]=3 33 B6R1.2 O[C@@H]1CCNC1 4H56-1-R3 [0,0,0,0,0,0|1,0,2]=3 34 B6R1.2 O[C@@H]1CCOC1 2H01-1-Y2 [0,0,0,0,0,0|1,0,2]=3 35 B6R1.2 O[C@H]1CCNC1 4H01-1-M4 [0,0,0,0,0,0|1,0,2]=3 36 B6R1.2 O[C@H]1CCNC1 4H56-5-J2 [0,0,0,0,0,0|1,0,2]=3 37 B6R1.2 O[C@H]1CCOC1 G311-A-08 [0,0,0,0,0,0|1,0,2]=3 38 B6R1.2 S=C1CCCN1 7H67-1-31 [0,0,0,0,0,0|1,1,0]=2 39 B5R1.1 C1=CCCC1 1400-1-05 [1,0,0,0,0,0|0,0,1]=2 40 B5R1.1 C1=CCNC1 3431-1-X0 [1,0,0,0,0,0|1,0,1]=3 41 B5R1.1 C1=CCOC1 2H10-1-00 [1,0,0,0,0,0|1,0,1]=3 42 B5R1.1 C1=COCC1 2H10-1-X7 [1,0,0,0,0,0|1,0,1]=3 43 B5R1.1 C1CCCC1 1200-1-05 [1,0,0,0,0,0|0,0,1]=2 44 B5R1.1 C1CCNC1 3H31-1-Z9 [1,0,0,0,0,0|1,0,0]=2 45 B5R1.1 C1CCOC1 6H60-1-13 [1,0,0,0,0,0|1,0,0]=2 46 B7R1.1 BrCC1CCCC1 1200-9-X1 [0,1,0,0,0,0|1,0,1]=3 47 B7R1.1 CNC1CCCC1 3231-1-03 [0,1,0,0,0,0|1,0,1]=3 48 B7R1.1 COC1CCCC1 2207-1-01 [0,1,0,0,0,0|0,0,2]=3 49 B7R1.1 ClCC1=NCCN1 3H32-5-P4 [0,1,0,0,0,0|3,0,0]=4 50 B7R1.1 ICC1CCCC1 1200-H-X0 [0,1,0,0,0,0|1,0,1]=3 51 B7R1.1 N#CC1CCCN1 4H37-3-17 [0,1,0,0,0,0|2,0,1]=4 52 B7R1.1 N#CC1CCOC1 3H37-1-4Z [0,1,0,0,0,0|2,0,1]=4 53 B7R1.1 N#CN1CCCC1 3H37-1-M1 [0,1,0,0,0,0|2,0,0]=3 54 B7R1.1 N#C[C@@H]1CCCN1 3H37-5-0J [0,1,0,0,0,0|2,0,1]=4 55 B7R1.1 NCC1CCOC1 4H56-1-Q2 [0,1,0,0,0,0|2,0,1]=4 56 B7R1.1 NCC1CCOC1 4H56-5-60 [0,1,0,0,0,0|2,0,1]=4 57 B7R1.1 NNC1=NCCN1 3H39-9-X1 [0,1,0,0,0,0|3,0,0]=4 58 B7R1.1 NNC1CCCC1 P911-A-67 [0,1,0,0,0,0|1,0,1]=3 59 B7R1.1 O=CC1CCOC1 2H15-1-1K [0,1,0,0,0,0|1,0,1]=3 60 B7R1.1 OCC1CCCC1 2301-1-X3 [0,1,0,0,0,0|0,0,2]=3 61 B7R1.1 OCC1CCCN1 4H01-1-95 [0,1,0,0,0,0|1,0,2]=4 62 B7R1.1 OCC1CCNC1 4H56-5-0C [0,1,0,0,0,0|1,0,2]=4 63 B7R1.1 OCC1CCOC1 2H10-1-34 [0,1,0,0,0,0|1,0,2]=4 64 B7R1.1 OC[C@@H]1CCCN1 4H01-1-M2 [0,1,0,0,0,0|1,0,2]=4 65 B7R1.1 OC[C@@H]1CCCO1 2H01-1-04 [0,1,0,0,0,0|1,0,2]=4 66 B7R1.1 OC[C@@H]1CCNC1 4H56-1-R0 [0,1,0,0,0,0|1,0,2]=4 67 B7R1.1 [C@H]1(CO)CCCN1 4H56-1-L1 [0,1,0,0,0,0|1,0,2]=4 68 B7R1.2 CC1=CC(=O)CC1 2417-1-07 [0,1,0,0,0,0|0,0,2]=3 69 B7R1.2 CC1=NNC(=O)C1 4H17-1-1W [0,1,0,0,0,0|2,0,1]=4 70 B7R1.2 CN1CCC(O)C1 4H56-1-Z4 [0,1,0,0,0,0|2,0,0]=3 71 B7R1.2 CN1CC[C@@H](O)C1 4H56-1-R1 [0,1,0,0,0,0|2,0,0]=3 72 B7R1.2 CN1CC[C@H](O)C1 4H56-1-S4 [0,1,0,0,0,0|2,0,0]=3 73 B7R1.2 NC1=NC(=O)CS1 8H70-1-M4 [0,1,0,0,0,0|2,0,1]=4 74 B7R1.2 NC1=NC(=O)CS1 8H70-5-W0 [0,1,0,0,0,0|2,0,1]=4 75 B7R1.2 O=C1CCC(=O)C1 P911-A-79 [0,1,0,0,0,0|0,0,1]=2 76 B7R1.2 O=C1CCC(=O)N1 4H48-1-N0 [0,1,0,0,0,0|1,0,1]=3 77 B7R1.2 O=C1CCC(=O)O1 2H26-1-X5 [0,1,0,0,0,0|1,0,1]=3 78 B7R1.2 O=C1COC(=O)C1 2H25-1-29 [0,1,0,0,0,0|1,0,1]=3 79 B7R1.2 O=C1C[C@H](O)CN1 4H20-1-X7 [0,1,0,0,0,0|1,0,0]=2 80 B7R1.2 O=C1OCC(F)O1 2H28-3-04 [0,1,0,0,0,0|2,0,0]=3 81 B7R1.2 O=C1OCC(F)O1 2H28-3-04H [0,1,0,0,0,0|2,0,0]=3 82 B7R1.4 BrC1=C(Br)CCC1 1400-9-X1T [0,1,0,0,0,0|1,0,1]=3 83 B7R1.4 NC1CCSC1=O 8H70-5-Z1 [0,1,0,0,0,0|1,0,0]=2 84 B7R1.4 NN1CCCC1=O 4H48-5-BN [0,1,0,0,0,0|1,0,0]=2 85 B7R1.4 O=C1CCCC1Cl 2217-5-04 [0,1,0,0,0,0|0,0,0]=1 86 B7R1.4 O=C1NCCC1O 4H20-1-X1 [0,1,0,0,0,0|1,0,0]=2 87 B7R1.4 O=C1OCCC1Br 2125-9-01 [0,1,0,0,0,0|1,0,0]=2 88 B7R1.14 CC1(O)CCCC1 2201-1-01 [0,1,0,0,0,0|0,0,2]=3 89 B7R1.14 CC1(O)CCNC1 4H01-1-5R [0,1,0,0,0,0|1,0,2]=4 90 B7R1.14 CC1(O)CCNC1 4H56-5-0D [0,1,0,0,0,0|1,0,2]=4 91 B7R1.14 FC1(F)CCNC1 3H31-7-X7 [0,1,0,0,0,0|2,0,1]=4 92 B7R1.14 O=S1(=O)CCCC1 6H70-1-05 [0,1,0,0,0,0|1,0,0]=2 93 B7R1.14 O=S1(=O)CCCC1 6H70-1-05B [0,1,0,0,0,0|1,0,0]=2 94 B5R0.1 C=COC(C)=O 2324-1-50 [0,0,1,0,0,0|1,0,2]=4 95 B5R0.1 CC#CC(=O)O 2521-1-13 [0,0,1,0,0,0|1,0,2]=4 96 B5R0.1 CC(C)=CCBr 1300-9-X0 [0,0,1,0,0,0|2,0,1]=4 97 B5R0.1 CC(C)=CCCl 1300-5-X0 [0,0,1,0,0,0|2,0,1]=4 98 B5R0.1 CC(C)CCI 1100-H-X4 [0,0,1,0,0,0|2,0,1]=4 99 B5R0.1 CC(C)CCN 3130-1-X4 [0,0,1,0,0,0|2,0,1]=4 100 B5R0.1 CC(C)CCO 2101-1-53 [0,0,1,0,0,0|2,0,1]=4 101 B5R0.1 CC(N)CCO 4156-1-4D [0,0,1,0,0,0|2,0,1]=4 102 B5R0.1 CCCB(O)O 6160-1-X5 [0,0,1,0,0,0|2,0,1]=4 103 B5R0.1 CCCC(=O)Cl 2116-5-09 [0,0,1,0,0,0|1,0,0]=2 104 B5R0.1 CCCC(=O)[O-] 2122-1-X1 [0,0,1,0,0,0|1,0,0]=2 105 B5R0.1 CCCC(C)C 1100-1-04 [0,0,1,0,0,0|1,0,1]=3 106 B5R0.1 CCCC(C)O 2102-1-52 [0,0,1,0,0,0|0,0,2]=3 107 B5R0.1 CCNC(N)=O 4153-1-X1 [0,0,1,0,0,0|2,0,0]=3 108 B5R0.1 CCOC(=S)[S-] 6167-1-02 [0,0,1,0,0,0|2,1,0]=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|2,0,0]=3 111 B5R0.1 CSCC(=O)O 6166-1-05 [0,0,1,0,0,0|2,0,0]=3 112 B5R0.1 C[C@@H](N)CCO 4156-1-RB [0,0,1,0,0,0|2,0,1]=4 113 B5R0.1 C[C@@H](O)CCO 2101-1-X0 [0,0,1,0,0,0|1,0,2]=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|2,0,0]=3 117 B5R0.2 BrCCCCBr 1100-9-14 [0,0,1,0,0,0|2,0,1]=4 118 B5R0.2 C#CCCCC 1500-1-X2 [0,0,1,0,0,0|1,0,1]=3 119 B5R0.2 C#CCCCCl 1500-5-X0 [0,0,1,0,0,0|2,0,1]=4 120 B5R0.2 C#CCCCO 2501-1-01 [0,0,1,0,0,0|2,0,1]=4 121 B5R0.2 C=CCCCBr 1300-9-13 [0,0,1,0,0,0|2,0,0]=3 122 B5R0.2 C=CCCCC 1300-1-48 [0,0,1,0,0,0|1,0,0]=2 123 B5R0.2 CCCCC=O 2115-1-00 [0,0,1,0,0,0|0,0,0]=1 124 B5R0.2 CCCCCC 1100-1-18 [0,0,1,0,0,0|1,0,1]=3 125 B5R0.2 CCCCCF 1100-3-65 [0,0,1,0,0,0|1,0,1]=3 126 B5R0.2 CCCCCN 3130-1-X6 [0,0,1,0,0,0|1,0,1]=3 127 B5R0.2 CCCN=C=S 7168-1-26 [0,0,1,0,0,0|1,1,1]=4 128 B5R0.2 CCNCCN 3130-1-X2 [0,0,1,0,0,0|2,0,1]=4 129 B5R0.2 CCSCCCl 5166-5-01 [0,0,1,0,0,0|2,0,1]=4 130 B5R0.2 CNCCNC 3131-1-17 [0,0,1,0,0,0|3,0,0]=4 131 B5R0.2 COCCCBr 2107-9-02 [0,0,1,0,0,0|2,0,1]=4 132 B5R0.2 COCCOC 2108-1-00 [0,0,1,0,0,0|3,0,0]=4 133 B5R0.2 CSCCCN 8166-1-X3 [0,0,1,0,0,0|2,0,1]=4 134 B5R0.2 ClCCCCI 1100-M-14 [0,0,1,0,0,0|2,0,1]=4 135 B5R0.2 FCCCCBr 1100-B-22 [0,0,1,0,0,0|2,0,1]=4 136 B5R0.2 ICCCCI 1100-H-14 [0,0,1,0,0,0|2,0,1]=4 137 B5R0.2 O=C=NCCCl 4149-5-X0 [0,0,1,0,0,0|2,0,1]=4 138 B5R0.2 OCCCCF 2101-3-1V [0,0,1,0,0,0|1,0,2]=4 139 B5R0.2 SCCCCS 5161-1-05 [0,0,1,0,0,0|1,1,1]=4 140 B5R0.3 C#CC(=O)OC 2523-1-X1 [0,0,1,0,0,0|1,0,2]=4 141 B5R0.3 C=C(CCl)CCl 1300-5-X1 [0,0,1,0,0,0|3,0,0]=4 142 B5R0.3 C=C(CO)CO 2304-1-X0 [0,0,1,0,0,0|3,0,0]=4 143 B5R0.3 CCC(=O)CBr 2117-9-01 [0,0,1,0,0,0|1,0,0]=2 144 B5R0.3 CCC(C)CN 3130-1-X5 [0,0,1,0,0,0|2,0,1]=4 145 B5R0.3 CCC(N)CC 3130-1-14 [0,0,1,0,0,0|1,0,1]=3 146 B5R0.3 CCC(N)CO 4156-1-38 [0,0,1,0,0,0|2,0,1]=4 147 B5R0.3 CCC(O)CN 4156-1-Z4 [0,0,1,0,0,0|1,0,2]=4 148 B5R0.3 CC[C@@H](N)CO 4156-1-R4 [0,0,1,0,0,0|2,0,1]=4 149 B5R0.3 CC[C@H](N)CO 4156-1-W2 [0,0,1,0,0,0|2,0,1]=4 150 B5R0.3 COC(=O)CBr 2123-9-36 [0,0,1,0,0,0|2,0,0]=3 151 B5R0.3 COC(=O)CN 4158-5-40 [0,0,1,0,0,0|2,0,0]=3 152 B5R0.3 COC(=O)CO 2129-1-X2 [0,0,1,0,0,0|2,0,0]=3 153 B5R0.3 COC(=O)CS 6161-1-X3 [0,0,1,0,0,0|2,0,0]=3 154 B5R0.3 COC(=O)NN 4156-1-39 [0,0,1,0,0,0|3,0,0]=4 155 B5R0.3 COS(=O)OC 6164-1-13 [0,0,1,0,0,0|3,0,0]=4 156 B5R0.3 CO[PH](=O)OC 6177-1-0G [0,0,1,0,0,0|3,0,0]=4 157 B5R0.3 O=C(CBr)CBr 2117-9-03 [0,0,1,0,0,0|2,0,0]=3 158 B5R0.3 O=C(CF)CF 2117-3-09 [0,0,1,0,0,0|2,0,0]=3 159 B7R2.13 C1CC2OC2C1 2209-1-X1 [0,0,0,1,0,0|0,0,2]=3 160 B7R2.13 C1NCC2CC12 3H31-5-90 [0,0,0,1,0,0|2,0,1]=4 161 B7R2.13 C1OCC2OC12 2H10-1-Y2 [0,0,0,1,0,0|1,0,2]=4 162 B5R1.2 BrC1CCC1 1200-9-17 [0,0,0,0,1,0|1,0,1]=3 163 B5R1.2 BrC1COC1 2H10-9-07 [0,0,0,0,1,0|2,0,1]=4 164 B5R1.2 FC1CNC1 3231-7-01 [0,0,0,0,1,0|2,0,1]=4 165 B5R1.2 IC1COC1 2H10-H-05 [0,0,0,0,1,0|2,0,1]=4 166 B5R1.2 NC1CCC1 3230-1-X4 [0,0,0,0,1,0|1,0,1]=3 167 B5R1.2 NC1CNC1 3H30-5-38 [0,0,0,0,1,0|2,0,1]=4 168 B5R1.2 O=C1CCC1 2217-1-X6 [0,0,0,0,1,0|0,0,0]=1 169 B5R1.2 O=C1CCN1 4H48-1-F4 [0,0,0,0,1,0|1,0,0]=2 170 B5R1.2 O=C1CNC1 4H56-5-05 [0,0,0,0,1,0|1,0,0]=2 171 B5R1.2 O=C1COC1 2H17-1-05 [0,0,0,0,1,0|1,0,0]=2 172 B5R1.2 O=C1CSC1 6H66-1-39 [0,0,0,0,1,0|1,0,0]=2 173 B5R1.2 OC1CNC1 4H01-5-63 [0,0,0,0,1,0|1,0,2]=4 174 B5R1.2 OC1COC1 2H01-1-X3 [0,0,0,0,1,0|1,0,2]=4 175 B7R1.3 BrC1CCOCC1 2H10-9-19 [0,0,0,0,0,1|1,0,1]=3 176 B7R1.3 CC1=CCC=CC1 1200-1-0A [0,0,0,0,0,1|1,0,2]=4 177 B7R1.3 CC1=CCCCC1 1400-1-04 [0,0,0,0,0,1|1,0,0]=2 178 B7R1.3 CC1=CCCNC1 3H31-5-0N [0,0,0,0,0,1|1,0,1]=3 179 B7R1.3 CC1CCCCC1 1200-1-19 [0,0,0,0,0,1|1,0,1]=3 180 B7R1.3 CC1CCCCN1 3H31-1-00 [0,0,0,0,0,1|1,0,1]=3 181 B7R1.3 CC1CCNCC1 3H31-1-Q3 [0,0,0,0,0,1|1,0,1]=3 182 B7R1.3 CC1CNCCO1 4H56-1-9N [0,0,0,0,0,1|2,0,1]=4 183 B7R1.3 CC1COCCN1 4H56-1-98 [0,0,0,0,0,1|2,0,1]=4 184 B7R1.3 CN1CCNCC1 3H32-1-L1 [0,0,0,0,0,1|2,0,0]=3 185 B7R1.3 CN1CCOCC1 4H44-1-03 [0,0,0,0,0,1|2,0,0]=3 186 B7R1.3 C[C@@H]1COCCN1 4H56-1-9Y [0,0,0,0,0,1|2,0,1]=4 187 B7R1.3 C[C@@H]1COCCN1 4H56-5-CX [0,0,0,0,0,1|2,0,1]=4 188 B7R1.3 C[C@H]1CCCCN1 3H31-1-S5 [0,0,0,0,0,1|1,0,1]=3 189 B7R1.3 C[C@H]1CNCCN1 3H31-1-P8 [0,0,0,0,0,1|2,0,1]=4 190 B7R1.3 FC1CCCCC1 1200-3-02 [0,0,0,0,0,1|1,0,1]=3 191 B7R1.3 FC1CCNCC1 3H31-7-X9 [0,0,0,0,0,1|1,0,1]=3 192 B7R1.3 IC1CCOCC1 2H10-H-X0 [0,0,0,0,0,1|1,0,1]=3 193 B7R1.3 NC1CCCNC1 3H30-5-61 [0,0,0,0,0,1|1,0,1]=3 194 B7R1.3 NC1CCOCC1 G311-A-59 [0,0,0,0,0,1|1,0,1]=3 195 B7R1.3 NC1CCOCC1 P911-A-50 [0,0,0,0,0,1|1,0,1]=3 196 B7R1.3 NC1CCSCC1 7H66-1-Y1 [0,0,0,0,0,1|1,0,1]=3 197 B7R1.3 NN1CCOCC1 4H56-1-VA [0,0,0,0,0,1|2,0,0]=3 198 B7R1.3 O=C1C=CCCC1 2417-1-X1 [0,0,0,0,0,1|0,0,1]=2 199 B7R1.3 O=C1C=CCCO1 2H25-1-78 [0,0,0,0,0,1|0,0,2]=3 200 B7R1.3 O=C1CCCCN1 4H48-1-1L [0,0,0,0,0,1|0,0,0]=1 201 B7R1.3 O=C1CCCCO1 2H25-1-X4 [0,0,0,0,0,1|0,0,0]=1 202 B7R1.3 O=C1CCCNC1 4H56-5-M8 [0,0,0,0,0,1|0,0,0]=1 203 B7R1.3 O=C1CCCOC1 2H17-1-09 [0,0,0,0,0,1|0,0,0]=1 204 B7R1.3 O=C1CCCSC1 6H66-1-40 [0,0,0,0,0,1|0,0,0]=1 205 B7R1.3 O=C1CCNCC1 4H17-1-3B [0,0,0,0,0,1|0,0,0]=1 206 B7R1.3 O=C1CCNCC1 4H56-5-3R [0,0,0,0,0,1|0,0,0]=1 207 B7R1.3 O=C1CCOCC1 P911-A-16 [0,0,0,0,0,1|0,0,0]=1 208 B7R1.3 O=C1CCSCC1 6H66-1-Y7 [0,0,0,0,0,1|0,0,0]=1 209 B7R1.3 O=C1CNCCN1 4H48-1-W4 [0,0,0,0,0,1|1,0,0]=2 210 B7R1.3 O=C1COCCN1 4H58-1-05 [0,0,0,0,0,1|1,0,0]=2 211 B7R1.3 O=C1OCCCO1 2H28-1-13 [0,0,0,0,0,1|1,0,0]=2 212 B7R1.3 OC1CCCNC1 4H56-5-90 [0,0,0,0,0,1|0,0,2]=3 213 B7R1.3 OC1CCCOC1 2H10-1-41 [0,0,0,0,0,1|0,0,2]=3 214 B7R1.3 OC1CCNCC1 4H56-1-UJ [0,0,0,0,0,1|0,0,2]=3 215 B7R1.3 OC1CCOCC1 2H10-1-Y4 [0,0,0,0,0,1|0,0,2]=3 216 B7R1.3 O[C@@H]1CCCNC1 4H56-5-R4 [0,0,0,0,0,1|0,0,2]=3 217 B7R1.3 O[C@H]1CCCNC1 4H56-1-SD [0,0,0,0,0,1|0,0,2]=3 218 B7R1.3 SC1CCCCC1 5261-1-04 [0,0,0,0,0,1|0,1,1]=3 219 B7R1.3 [C@@H]1(C)CNCCN1 3H31-1-R1 [0,0,0,0,0,1|2,0,1]=4 220 B7R1.3 [C@@H]1(N)CCCNC1 3H30-5-R1 [0,0,0,0,0,1|1,0,1]=3 221 B7R1.3 [C@H]1(N)CCCNC1 3H30-5-V8 [0,0,0,0,0,1|1,0,1]=3 222 B7R1.3 [C@H]1(O)CCCNC1 4H56-5-L3 [0,0,0,0,0,1|0,0,2]=3 223 B7R1.3 [NH3+]C1CCOCC1 4H30-1-Y9 [0,0,0,0,0,1|1,0,1]=3 224 B4R0.1 C=C(Br)CC 1300-9-24 [1,0,1,0,0,0|1,0,1]=4 225 B4R0.1 C=C(C)CBr 1300-9-00 [1,0,1,0,0,0|2,0,0]=4 226 B4R0.1 C=C(C)CC 1300-1-21 [1,0,1,0,0,0|1,0,0]=3 227 B4R0.1 C=C(C)CN 3330-1-X1 [1,0,1,0,0,0|2,0,0]=4 228 B4R0.1 C=C(C)CN 3330-5-X0 [1,0,1,0,0,0|2,0,0]=4 229 B4R0.1 C=C(C)OC 2307-1-01 [1,0,1,0,0,0|2,0,0]=4 230 B4R0.1 CC(=O)C=O 2117-1-X0 [1,0,1,0,0,0|1,0,1]=4 231 B4R0.1 CC(=O)C=O 2117-1-X0A [1,0,1,0,0,0|1,0,1]=4 232 B4R0.1 CC(=O)CF 2117-3-10 [1,0,1,0,0,0|1,0,0]=3 233 B4R0.1 CC(=O)CO 2120-1-01 [1,0,1,0,0,0|1,0,0]=3 234 B4R0.1 CC(=O)NN 4156-1-2V [1,0,1,0,0,0|2,0,0]=4 235 B4R0.1 CCC(=N)N 3141-5-03 [1,0,1,0,0,0|2,0,0]=4 236 B4R0.1 CCC(C)Cl 1100-5-25 [1,0,1,0,0,0|1,0,1]=4 237 B4R0.1 CCC(C)F 1100-3-47 [1,0,1,0,0,0|1,0,1]=4 238 B4R0.1 CCC(C)I 1100-H-X6 [1,0,1,0,0,0|1,0,1]=4 239 B4R0.1 CC[C@@H](C)O 2101-1-R1 [1,0,1,0,0,0|0,0,2]=4 240 B4R0.1 NC(=O)CBr 4148-9-X4 [1,0,1,0,0,0|2,0,0]=4 241 B4R0.1 NC(=O)CCl 4148-5-00 [1,0,1,0,0,0|2,0,0]=4 242 B4R0.1 O=C(Br)CBr 2116-9-03 [1,0,1,0,0,0|2,0,0]=4 243 B4R0.1 O=C(O)CBr 2121-9-01 [1,0,1,0,0,0|2,0,0]=4 244 B4R0.1 O=C(O)CI 2121-H-00 [1,0,1,0,0,0|2,0,0]=4 245 B4R0.1 O=C(O)CO 2129-1-20 [1,0,1,0,0,0|2,0,0]=4 246 B4R0.1 [C@@H](C)(N)CC 3130-1-S1 [1,0,1,0,0,0|1,0,1]=4 247 B4R0.1 [C@H](C)(N)CC 3130-1-R1 [1,0,1,0,0,0|1,0,1]=4 248 B4R0.2 BrCCCBr 1100-9-13 [1,0,1,0,0,0|2,0,0]=4 249 B4R0.2 C#CCCC 1500-1-X1 [1,0,1,0,0,0|0,0,2]=4 250 B4R0.2 C=CCCBr 1300-9-04 [1,0,1,0,0,0|1,0,1]=4 251 B4R0.2 C=CCCC 1300-1-09 [1,0,1,0,0,0|0,0,1]=3 252 B4R0.2 CCCC#N 3137-1-Y3 [1,0,1,0,0,0|1,0,1]=4 253 B4R0.2 CCCCBr 1100-9-15 [1,0,1,0,0,0|1,0,0]=3 254 B4R0.2 CCCCF 1100-3-32 [1,0,1,0,0,0|1,0,0]=3 255 B4R0.2 CCNCC 3133-5-06 [1,0,1,0,0,0|1,0,0]=3 256 B4R0.2 CCOCC 6160-3-09 [1,0,1,0,0,0|1,0,0]=3 257 B4R0.2 CCOCCl 2107-5-01 [1,0,1,0,0,0|2,0,0]=4 258 B4R0.2 CNCCCl 3133-5-05 [1,0,1,0,0,0|2,0,0]=4 259 B4R0.2 CNCCN 3131-1-11 [1,0,1,0,0,0|2,0,0]=4 260 B4R0.2 CNCCO 4156-1-3Y [1,0,1,0,0,0|1,0,1]=4 261 B4R0.2 COCCBr 2107-9-X1 [1,0,1,0,0,0|2,0,0]=4 262 B4R0.2 COCCCl 2107-5-0R [1,0,1,0,0,0|2,0,0]=4 263 B4R0.2 COCCN 4130-1-X3 [1,0,1,0,0,0|2,0,0]=4 264 B4R0.2 COCOC 2108-1-07 [1,0,1,0,0,0|2,0,0]=4 265 B4R0.2 CSCCN 7166-1-X1 [1,0,1,0,0,0|2,0,0]=4 266 B4R0.2 C\C=C\CC 1300-1-05 [1,0,1,0,0,0|0,0,1]=3 267 B4R0.2 ClCCCCl 1100-5-19 [1,0,1,0,0,0|2,0,0]=4 268 B4R0.2 ClCCCI 1100-M-01 [1,0,1,0,0,0|2,0,0]=4 269 B4R0.2 FCCCF 1100-3-16 [1,0,1,0,0,0|2,0,0]=4 270 B4R0.2 FCCCI 1100-K-35 [1,0,1,0,0,0|2,0,0]=4 271 B4R0.2 ICCCI 1100-H-X0 [1,0,1,0,0,0|2,0,0]=4 272 B4R0.2 NCCCBr 3130-9-X0 [1,0,1,0,0,0|2,0,0]=4 273 B4R0.2 NCCCCl 3130-5-03 [1,0,1,0,0,0|2,0,0]=4 274 B4R0.2 NCCCF 3130-7-13 [1,0,1,0,0,0|2,0,0]=4 275 B4R0.2 OCCCBr 2101-9-X2 [1,0,1,0,0,0|1,0,1]=4 276 B4R0.2 OCCCCl 2101-5-13 [1,0,1,0,0,0|1,0,1]=4 277 B4R0.2 OCCCF 2101-3-50 [1,0,1,0,0,0|1,0,1]=4 278 B4R0.2 OCCCI 2101-H-01 [1,0,1,0,0,0|1,0,1]=4 279 B4R0.2 OCCCO 2104-1-11 [1,0,1,0,0,0|1,0,1]=4 280 B6R0.1 CCCC(=N)NO 4141-1-X1 [0,1,1,0,0,0|1,0,1]=4 281 B6R0.1 CCCC(=O)NN 4156-1-15 [0,1,1,0,0,0|1,0,0]=3 282 B6R0.1 CCCC(C)CCl 1100-5-0A [0,1,1,0,0,0|1,0,1]=4 283 B6R0.1 CCCC(O)CO 2104-1-0A [0,1,1,0,0,0|0,0,2]=4 284 B6R0.1 CCOC(=O)C=O 2323-1-X0 [0,1,1,0,0,0|1,0,1]=4 285 B6R0.1 CCOC(=O)CCl 2123-5-01 [0,1,1,0,0,0|1,0,0]=3 286 B6R0.1 CCOC(=O)CN 4158-5-25 [0,1,1,0,0,0|1,0,0]=3 287 B6R0.1 CCOC(=O)CS 6161-1-03 [0,1,1,0,0,0|1,0,0]=3 288 B6R0.1 CCOC(=O)NN 4156-1-55 [0,1,1,0,0,0|2,0,0]=4 289 B6R0.1 CNC(=O)CC#N 4148-1-X3 [0,1,1,0,0,0|1,0,1]=4 290 B6R0.1 CNC(=O)CCN 4148-1-13 [0,1,1,0,0,0|1,0,0]=3 291 B6R0.1 CNCC(=O)OC 4158-5-X0 [0,1,1,0,0,0|1,0,0]=3 292 B6R0.1 COC(=O)CC#N 4137-1-X2 [0,1,1,0,0,0|1,0,1]=4 293 B6R0.1 COC(=O)CCN 4158-1-02 [0,1,1,0,0,0|1,0,0]=3 294 B6R0.1 COC(=O)CSC 6166-1-06 [0,1,1,0,0,0|1,0,0]=3 295 B6R0.1 [C-]#[N+]CC(=O)OC 4149-1-06 [0,1,1,0,0,0|1,0,1]=4 296 B6R0.2 CC(=O)CC(C)=O 2118-1-01 [0,1,1,0,0,0|0,0,1]=3 297 B6R0.2 CC(=O)CC(C)C 2118-1-02 [0,1,1,0,0,0|0,0,0]=2 298 B6R0.2 CC(=O)\C=C(\C)N 4356-1-06 [0,1,1,0,0,0|0,0,2]=4 299 B6R0.2 CC(=O)\C=C(\C)[O-] 9128-1-X0 [0,1,1,0,0,0|0,0,2]=4 300 B6R0.2 CC(C)CC(N)=O 4148-1-Y7 [0,1,1,0,0,0|1,0,0]=3 301 B6R0.2 CC(Cl)OC(=O)Cl 2116-5-X1 [0,1,1,0,0,0|2,0,0]=4 302 B6R0.2 CC(O)CC(=O)[O-] 2129-1-35 [0,1,1,0,0,0|1,0,0]=3 303 B6R0.2 CC(O)CC(C)O 2104-1-X3 [0,1,1,0,0,0|0,0,2]=4 304 B6R0.2 CN(C)CC(=O)O 4158-1-40 [0,1,1,0,0,0|2,0,0]=4 305 B6R0.2 C[C@@H](O)C[C@@H](C)O 2104-1-28 [0,1,1,0,0,0|0,0,2]=4 306 B6R0.3 CC(=O)C(=O)CBr 2118-9-01 [0,1,1,0,0,0|1,0,1]=4 307 B6R0.3 CCC(Br)C(C)Br 1100-9-10 [0,1,1,0,0,0|1,0,1]=4 308 B6R0.3 CCC(N)C(=O)O 4157-1-16 [0,1,1,0,0,0|1,0,0]=3 309 B6R0.3 CCN(C)C(=O)Cl 4148-5-18 [0,1,1,0,0,0|2,0,0]=4 310 B6R0.3 CC[C@H](O)C(=O)O 2129-1-SF [0,1,1,0,0,0|1,0,0]=3 311 B6R0.3 CN[C@@H](C)C(=O)O 4157-1-07 [0,1,1,0,0,0|2,0,0]=4 312 B6R0.3 CON(C)C(C)=O 4148-1-44 [0,1,1,0,0,0|2,0,0]=4 313 B6R0.3 C\C=C(/C)C(C)=O 2317-1-02 [0,1,1,0,0,0|0,0,2]=4 314 B6R0.3 NCC(F)C(=O)O 4157-3-02 [0,1,1,0,0,0|2,0,0]=4 315 B6R0.3 N[C@@H](CS)C(=O)O 8158-1-01 [0,1,1,0,0,0|2,0,0]=4 316 B6R0.3 [C@@H](N)(CC)C(=O)O 4157-1-X5 [0,1,1,0,0,0|1,0,0]=3 317 B6R0.3 [C@H](N)(CC)C(=O)O 4157-1-X4 [0,1,1,0,0,0|1,0,0]=3 318 B6R0.4 C#CCCC(=O)O 2521-1-02 [0,1,1,0,0,0|1,0,1]=4 319 B6R0.4 C=CCCC(=O)Cl 2316-5-06 [0,1,1,0,0,0|1,0,1]=4 320 B6R0.4 C=CCOC(C)=O 2324-1-08 [0,1,1,0,0,0|0,0,2]=4 321 B6R0.4 CC(=O)CCCCl 2117-5-52 [0,1,1,0,0,0|0,0,0]=2 322 B6R0.4 CC(=O)NCCCl 4148-5-15 [0,1,1,0,0,0|1,0,0]=3 323 B6R0.4 CCC#CC(=O)O 2521-1-12 [0,1,1,0,0,0|1,0,1]=4 324 B6R0.4 CCCCC(=O)O 2121-1-0C [0,1,1,0,0,0|1,0,0]=3 325 B6R0.4 CCCNC(N)=S 7167-1-23 [0,1,1,0,0,0|1,1,0]=4 326 B6R0.4 CCCOC(C)=O 2123-1-32 [0,1,1,0,0,0|0,0,0]=2 327 B6R0.4 CCCO[N+](=O)[O-] 4154-1-11 [0,1,1,0,0,0|2,0,0]=4 328 B6R0.4 CCOCC(=O)Cl 2116-5-0F [0,1,1,0,0,0|1,0,0]=3 329 B6R0.4 CN(C)CCCBr 3132-9-03 [0,1,1,0,0,0|2,0,0]=4 330 B6R0.4 CN(C)CCCCl 3132-5-X0 [0,1,1,0,0,0|2,0,0]=4 331 B6R0.4 CN(C)CCCO 4156-1-40 [0,1,1,0,0,0|2,0,0]=4 332 B6R0.4 CNCCC(N)=O 4148-1-30 [0,1,1,0,0,0|1,0,0]=3 333 B6R0.4 NC(=O)NCCO 4153-1-02 [0,1,1,0,0,0|2,0,0]=4 334 B6R0.4 NCCCC(=O)O 4157-1-X2 [0,1,1,0,0,0|1,0,0]=3 335 B6R0.4 NCCNC(N)=O 4153-5-07 [0,1,1,0,0,0|2,0,0]=4 336 B6R0.4 O=C(Cl)CCCCl 2116-5-X5 [0,1,1,0,0,0|1,0,0]=3 337 B6R0.5 CCCS(=O)(=O)Cl 6162-5-05 [0,1,1,0,0,0|2,0,0]=4 338 B6R0.5 CCCS(N)(=O)=O P612-A-86 [0,1,1,0,0,0|2,0,0]=4 339 B6R0.5 CCOP(C)(=O)O 6177-1-37 [0,1,1,0,0,0|2,0,0]=4 340 B6R0.5 CS(=O)(=O)CCN 8163-5-X0 [0,1,1,0,0,0|2,0,0]=4 341 B6R0.6 C#CCCCCCl 1500-5-01 [0,1,1,0,0,0|1,0,1]=4 342 B6R0.6 C=CCCCCBr 1300-9-X5 [0,1,1,0,0,0|1,0,0]=3 343 B6R0.6 C=CCCCCO 2301-1-06 [0,1,1,0,0,0|1,0,0]=3 344 B6R0.6 CCCCCC=O 2115-1-X2 [0,1,1,0,0,0|0,0,0]=2 345 B6R0.6 CCCCCCCl 1100-5-29 [0,1,1,0,0,0|1,0,1]=4 346 B6R0.6 CCCCCCF 1100-3-61 [0,1,1,0,0,0|1,0,1]=4 347 B6R0.6 CCCCN=C=S 7168-1-X0 [0,1,1,0,0,0|0,1,1]=4 348 B6R0.6 ClCCCCCBr 1100-D-X1 [0,1,1,0,0,0|1,0,1]=4 349 B6R0.6 ClCCCCCI 1100-M-X0 [0,1,1,0,0,0|1,0,1]=4 350 B6R0.6 ICCCCCI 1100-H-00 [0,1,1,0,0,0|1,0,1]=4 351 B6R0.6 N#CCCCCCl 3137-5-X4 [0,1,1,0,0,0|1,0,1]=4 352 B6R0.6 NCCCCCN 3130-1-20 [0,1,1,0,0,0|1,0,1]=4 353 B6R0.6 NCCCCCO 4156-1-0AT [0,1,1,0,0,0|0,0,2]=4 354 B6R0.6 NCCCCCO 4156-1-Z9 [0,1,1,0,0,0|0,0,2]=4 355 B6R0.6 OCCCCCBr 2101-9-0A [0,1,1,0,0,0|0,0,2]=4 356 B6R0.6 OCCCCCCl 2101-5-04 [0,1,1,0,0,0|0,0,2]=4 357 B6R0.9 CCB(CC)CC 5160-1-01 [0,1,1,0,0,0|2,0,0]=4 358 B6R0.9 CCC(CC)CN 3130-1-X0 [0,1,1,0,0,0|1,0,1]=4 359 B6R0.9 CCC(CC)NC 3131-5-01 [0,1,1,0,0,0|1,0,1]=4 360 B6R0.9 CCN(CC)CC 3132-1-02 [0,1,1,0,0,0|2,0,0]=4 361 B6R0.9 CCN(CC)CC 3133-3-04 [0,1,1,0,0,0|2,0,0]=4 362 B6R0.9 CCN(CC)CC 3133-3-05 [0,1,1,0,0,0|2,0,0]=4 363 B6R0.9 CC[O+](CC)CC 6175-3-06 [0,1,1,0,0,0|2,0,0]=4 364 B6R0.9 CC[SiH](CC)CC 5180-1-02 [0,1,1,0,0,0|1,1,0]=4 365 B6R1.5 NC1CC(O)C1 4256-1-30 [0,1,0,0,1,0|0,0,2]=4 366 B6R1.6 BrCC1CCC1 1200-9-21 [0,1,0,0,1,0|1,0,1]=4 367 B6R1.6 N#CC1CCC1 3237-1-05 [0,1,0,0,1,0|1,0,1]=4 368 B6R1.6 NCC1CCC1 3230-5-03 [0,1,0,0,1,0|1,0,1]=4 369 B6R1.6 O=CC1CCC1 2215-1-03 [0,1,0,0,1,0|0,0,1]=3 370 B6R1.10 C[Si]1(C)CCC1 5180-1-07 [0,1,0,0,1,0|1,1,0]=4 371 B8R1.2 BrCC1CCOCC1 P311-A-04 [0,1,0,0,0,1|1,0,1]=4 372 B8R1.2 C#CC1=CCCCC1 1500-1-15 [0,1,0,0,0,1|1,0,0]=3 373 B8R1.2 C#CC1CCOCC1 2H10-1-52 [0,1,0,0,0,1|1,0,1]=4 374 B8R1.2 CCC1CCNCC1 3H31-5-14 [0,1,0,0,0,1|1,0,1]=4 375 B8R1.2 CCN1CCNCC1 3H32-1-3W [0,1,0,0,0,1|2,0,0]=4 376 B8R1.2 CNC1CCCCC1 3231-1-04 [0,1,0,0,0,1|1,0,1]=4 377 B8R1.2 CNC1CCOCC1 P612-A-50 [0,1,0,0,0,1|1,0,1]=4 378 B8R1.2 COC1CCCNC1 4H07-1-80 [0,1,0,0,0,1|0,0,2]=4 379 B8R1.2 COC1CCNCC1 4H56-1-YG [0,1,0,0,0,1|0,0,2]=4 380 B8R1.2 CO[C@H]1CCCNC1 4H01-5-S1 [0,1,0,0,0,1|0,0,2]=4 381 B8R1.2 CSC1=NCCCN1 7H66-H-X0 [0,1,0,0,0,1|1,1,0]=4 382 B8R1.2 CSC1CCNCC1 7H66-5-03 [0,1,0,0,0,1|0,1,1]=4 383 B8R1.2 ClCC1CCCCO1 2H10-5-00 [0,1,0,0,0,1|1,0,1]=4 384 B8R1.2 FCC1CCCNC1 3H31-7-1L [0,1,0,0,0,1|1,0,1]=4 385 B8R1.2 ICC1CCOCC1 2H10-H-03 [0,1,0,0,0,1|1,0,1]=4 386 B8R1.2 N#CC1CCCCC1 3237-1-Y9 [0,1,0,0,0,1|1,0,1]=4 387 B8R1.2 N#CC1CCCCN1 4H22-1-09 [0,1,0,0,0,1|1,0,1]=4 388 B8R1.2 N#CC1CCCNC1 3H37-1-24 [0,1,0,0,0,1|1,0,1]=4 389 B8R1.2 N#CC1CCNCC1 3H37-1-4T [0,1,0,0,0,1|1,0,1]=4 390 B8R1.2 N#CC1CCNCC1 3H37-5-19 [0,1,0,0,0,1|1,0,1]=4 391 B8R1.2 N#CC1CCOCC1 4H37-1-0X [0,1,0,0,0,1|1,0,1]=4 392 B8R1.2 NCC1CCCCN1 3H30-1-5K [0,1,0,0,0,1|1,0,1]=4 393 B8R1.2 NCC1CCCCO1 4H56-1-5C [0,1,0,0,0,1|1,0,1]=4 394 B8R1.2 NCC1CCCCO1 4H56-5-G2 [0,1,0,0,0,1|1,0,1]=4 395 B8R1.2 NCC1CCCNC1 3H30-1-LF [0,1,0,0,0,1|1,0,1]=4 396 B8R1.2 NCC1CCOCC1 4H30-5-19 [0,1,0,0,0,1|1,0,1]=4 397 B8R1.2 NCC1CCOCC1 P612-A-48 [0,1,0,0,0,1|1,0,1]=4 398 B8R1.2 NNC1CCCCC1 3239-5-X0 [0,1,0,0,0,1|1,0,1]=4 399 B8R1.2 NNC1CCOCC1 4H39-5-04 [0,1,0,0,0,1|1,0,1]=4 400 B8R1.2 NOC1CCCCO1 4H47-1-59 [0,1,0,0,0,1|0,0,2]=4 401 B8R1.2 O=CC1=COCCC1 2H15-1-X8 [0,1,0,0,0,1|0,0,1]=3 402 B8R1.2 O=CC1CCCOC1 2H15-1-21 [0,1,0,0,0,1|0,0,1]=3 403 B8R1.2 O=CC1CCOCC1 P311-A-93 [0,1,0,0,0,1|0,0,1]=3 404 B8R1.2 O=CN1CCCCC1 4H15-1-W5 [0,1,0,0,0,1|1,0,0]=3 405 B8R1.2 OCC1CCCCO1 2H01-1-07 [0,1,0,0,0,1|0,0,2]=4 406 B8R1.2 OCC1CCNCC1 4H56-1-04 [0,1,0,0,0,1|0,0,2]=4 407 B8R1.2 OCC1CCOCC1 2H01-1-X5 [0,1,0,0,0,1|0,0,2]=4 408 B8R1.2 [C-]#[N+]C1CCCCC1 3237-1-00 [0,1,0,0,0,1|1,0,1]=4 409 B8R1.3 CC1=NNC(=O)CC1 4H56-1-XC [0,1,0,0,0,1|1,0,1]=4 410 B8R1.3 CN1CCC(=O)CC1 4H56-1-7L [0,1,0,0,0,1|0,0,0]=2 411 B8R1.3 CN1CCC(Cl)CC1 3H32-5-U2 [0,1,0,0,0,1|1,0,1]=4 412 B8R1.3 CN1CCC(N)CC1 3H32-1-M2 [0,1,0,0,0,1|1,0,1]=4 413 B8R1.3 CN1CCC(O)CC1 4H56-1-XM [0,1,0,0,0,1|0,0,2]=4 414 B8R1.3 CN1CCN(C)CC1 3H32-1-3M [0,1,0,0,0,1|2,0,0]=4 415 B8R1.3 C[C@H]1CC[C@H](N)CC1 3230-1-X3 [0,1,0,0,0,1|1,0,1]=4 416 B8R1.3 N[C@H]1CC[C@@H](O)CC1 4256-5-15 [0,1,0,0,0,1|0,0,2]=4 417 B8R1.3 N[C@H]1CC[C@H](O)CC1 4256-1-X6 [0,1,0,0,0,1|0,0,2]=4 418 B8R1.3 N[C@H]1CC[C@H](O)CC1 4H56-5-L1 [0,1,0,0,0,1|0,0,2]=4 419 B8R1.3 O=C1CNC(=O)CN1 4H48-1-Q2 [0,1,0,0,0,1|1,0,1]=4 420 B8R1.3 O=C1COC(=O)CO1 2H08-1-X0 [0,1,0,0,0,1|1,0,1]=4 421 B8R1.3 OC1CCC(O)CC1 2204-1-X0 [0,1,0,0,0,1|0,0,2]=4 422 B8R1.4 CC1CC(=O)CCO1 2H17-1-89 [0,1,0,0,0,1|0,0,0]=2 423 B8R1.4 CC1CC(O)CCO1 2H10-1-83 [0,1,0,0,0,1|0,0,2]=4 424 B8R1.4 CC1CCCC(C)N1 3H31-1-Q2 [0,1,0,0,0,1|1,0,1]=4 425 B8R1.4 CN1CCCC(N)C1 3H32-5-Q9 [0,1,0,0,0,1|1,0,1]=4 426 B8R1.4 CN1CCCC(O)C1 4H56-1-XP [0,1,0,0,0,1|0,0,2]=4 427 B8R1.4 CN1CCNC(=O)C1 4H48-1-YY [0,1,0,0,0,1|1,0,0]=3 428 B8R1.4 NC1=CC(=O)CCC1 4456-1-X0 [0,1,0,0,0,1|0,0,1]=3 429 B8R1.4 NC1CCCC(O)C1 4256-1-02 [0,1,0,0,0,1|0,0,2]=4 430 B8R1.4 O=C1CCCC(=O)C1 2218-1-X3 [0,1,0,0,0,1|0,0,0]=2 431 B8R1.4 O=C1CCNC(=O)C1 4H48-1-67 [0,1,0,0,0,1|0,0,1]=3 432 B8R1.4 O=C1CSCC(=O)O1 6H66-1-00 [0,1,0,0,0,1|1,0,1]=4 433 B8R1.4 OC1CCCC(O)C1 2204-1-03 [0,1,0,0,0,1|0,0,2]=4 434 B8R1.5 CC1=CCCCC1=O 2417-1-01 [0,1,0,0,0,1|0,0,1]=3 435 B8R1.5 CC1=NCCCN1C 3H32-1-6P [0,1,0,0,0,1|2,0,0]=4 436 B8R1.5 CC1CCCCC1=O 2217-1-1E [0,1,0,0,0,1|0,0,0]=2 437 B8R1.5 CC1CCCCC1O 2102-1-X1 [0,1,0,0,0,1|0,0,2]=4 438 B8R1.5 CC1CNCCC1O 4H56-5-B5 [0,1,0,0,0,1|0,0,2]=4 439 B8R1.5 CC1CNCCN1C 3H32-1-82 [0,1,0,0,0,1|2,0,0]=4 440 B8R1.5 CN1CCNCC1=O 4H17-1-16 [0,1,0,0,0,1|1,0,0]=3 441 B8R1.5 CN1CCNCC1=O 4H48-5-BC [0,1,0,0,0,1|1,0,0]=3 442 B8R1.5 CN1CCOCC1=O 4H48-1-4C [0,1,0,0,0,1|1,0,0]=3 443 B8R1.5 FC1CCCCC1Br 1200-B-12 [0,1,0,0,0,1|1,0,1]=4 444 B8R1.5 NC1CCCCC1O 4256-1-X3 [0,1,0,0,0,1|0,0,2]=4 445 B8R1.5 NC1CCCNC1=O 4H48-1-3C [0,1,0,0,0,1|0,0,0]=2 446 B8R1.5 N[C@@H]1CCCC[C@H]1N 3230-1-03 [0,1,0,0,0,1|1,0,1]=4 447 B8R1.5 N[C@@H]1CCCC[C@H]1N 3230-1-16 [0,1,0,0,0,1|1,0,1]=4 448 B8R1.5 N[C@@H]1CCCC[C@H]1O 4256-1-48 [0,1,0,0,0,1|0,0,2]=4 449 B8R1.5 N[C@@H]1CCCC[C@H]1O 4256-5-36 [0,1,0,0,0,1|0,0,2]=4 450 B8R1.5 N[C@H]1CCCC[C@@H]1N 3230-1-17 [0,1,0,0,0,1|1,0,1]=4 451 B8R1.5 N[C@H]1CCCC[C@H]1O 4256-5-49 [0,1,0,0,0,1|0,0,2]=4 452 B8R1.5 O=C1CCCCC1=O 2218-1-X7 [0,1,0,0,0,1|0,0,0]=2 453 B8R1.5 O=C1CCNCC1F 4H56-7-14 [0,1,0,0,0,1|0,0,0]=2 454 B8R1.72 CC1(C)CCNCC1 3H31-1-26 [0,1,0,0,0,1|1,0,1]=4 455 B8R1.72 CC1(O)CCNCC1 4H56-5-0B [0,1,0,0,0,1|0,0,2]=4 456 B8R1.72 C[N+]1([O-])CCOCC1 4H45-1-67 [0,1,0,0,0,1|1,0,1]=4 457 B8R1.72 FC1(F)CCNCC1 3H31-3-0U [0,1,0,0,0,1|1,0,1]=4 458 B8R1.72 FC1(F)CCNCC1 3H33-7-44 [0,1,0,0,0,1|1,0,1]=4 459 B8R1.72 O=S1(=O)CCCCN1 8H69-1-W9 [0,1,0,0,0,1|1,0,0]=3 460 B8R1.72 O=S1(=O)CCNCC1 8H63-5-X5 [0,1,0,0,0,1|1,0,0]=3 461 B8R1.72 O=S1(=O)CCNCC1 P911-A-87 [0,1,0,0,0,1|1,0,0]=3 462 B8R1.72 OC1(O)CCNCC1 4H56-5-V1 [0,1,0,0,0,1|0,0,2]=4 463 B8R1.1 C=CC1CCC(=O)N1 4H56-1-78 [0,2,0,0,0,0|1,0,0]=3 464 B8R1.1 CC1CCC(C=O)O1 2H15-1-25 [0,2,0,0,0,0|1,0,1]=4 465 B8R1.1 CN1CCC(CN)C1 3H32-1-C0 [0,2,0,0,0,0|2,0,0]=4 466 B8R1.1 O=C1CC[C@H](CO)N1 4H48-1-MC [0,2,0,0,0,0|1,0,0]=3 467 B8R1.1 O=C1NCC(CCl)O1 4H56-5-PH [0,2,0,0,0,0|2,0,0]=4 468 B8R1.1 O=C1OCC(CO)O1 2H28-1-37 [0,2,0,0,0,0|2,0,0]=4 469 B8R1.7 C[N+](C)=C1CCCC1 7260-3-06 [0,2,0,0,0,0|1,0,0]=3 470 B8R1.7 NC(=O)C1CCCC1 4248-1-0J [0,2,0,0,0,0|0,0,1]=3 471 B8R1.7 NC(=O)[C@@H]1CCCN1 4H48-1-Q3 [0,2,0,0,0,0|1,0,1]=4 472 B8R1.7 NC(=O)[C@@H]1CCCN1 4H48-5-S8 [0,2,0,0,0,0|1,0,1]=4 473 B8R1.7 O=C(Cl)C1CCCC1 2216-5-X0 [0,2,0,0,0,0|0,0,1]=3 474 B8R1.7 O=C(Cl)C1CCOC1 2H16-5-X0 [0,2,0,0,0,0|1,0,1]=4 475 B8R1.7 O=C(Cl)N1CCCC1 4H16-5-0R [0,2,0,0,0,0|1,0,0]=3 476 B8R1.7 O=C(O)C1=CCCC1 2421-1-01 [0,2,0,0,0,0|0,0,1]=3 477 B8R1.7 O=C(O)C1=COCC1 2H21-1-41 [0,2,0,0,0,0|1,0,1]=4 478 B8R1.7 O=C(O)C1CCNC1 4H21-1-43 [0,2,0,0,0,0|1,0,1]=4 479 B8R1.7 O=C(O)C1CCOC1 2H21-1-Y0 [0,2,0,0,0,0|1,0,1]=4 480 B8R1.7 O=C(O)[C@@H]1CCCN1 4H57-1-V2 [0,2,0,0,0,0|1,0,1]=4 481 B8R1.7 O=C(O)[C@@H]1CCCO1 2H21-1-S1 [0,2,0,0,0,0|1,0,1]=4 482 B8R1.7 O=C(O)[C@H]1CCCN1 4H57-1-X3 [0,2,0,0,0,0|1,0,1]=4 483 B8R1.7 O=C(O)[C@H]1CCCO1 2H21-1-R0 [0,2,0,0,0,0|1,0,1]=4 484 B8R1.7 O=C(O)[C@H]1CCNC1 4H21-1-S5 [0,2,0,0,0,0|1,0,1]=4 485 B8R1.7 OB(O)C1=CCCC1 6460-1-X1 [0,2,0,0,0,0|0,0,2]=4 486 B8R1.7 OB(O)C1CCCC1 6260-1-X0 [0,2,0,0,0,0|0,0,2]=4 487 B8R1.8 ClCCN1CCCC1 3H32-5-P5 [0,2,0,0,0,0|2,0,0]=4 488 B8R1.8 N#CCN1CCCC1 3H37-1-7Q [0,2,0,0,0,0|2,0,0]=4 489 B8R1.8 OCCN1CCCC1 4H01-1-C9 [0,2,0,0,0,0|1,0,1]=4 490 B8R1.11 CN1CCC[C@@H]1CO 4H56-1-RG [0,2,0,0,0,0|2,0,0]=4 491 B8R1.11 CN1CCC[C@H]1CN 3H32-1-S0 [0,2,0,0,0,0|2,0,0]=4 492 B8R1.11 N#CC1=C(N)CCC1 3437-1-X0 [0,2,0,0,0,0|1,0,1]=4 493 B8R1.11 N#CC1CCCC1=O 4237-1-X2 [0,2,0,0,0,0|0,0,0]=2 494 B8R1.52 NCC1(O)CCCC1 4H56-1-182 [0,2,0,0,0,0|0,0,2]=4 495 B8R1.18 CC1OC(=O)OC1C 2H28-1-17 [0,2,0,0,0,0|2,0,0]=4 496 B8R1.18 C[C@@H]1OC(=O)O[C@H]1C 2H28-1-E0 [0,2,0,0,0,0|2,0,0]=4 497 B8R1.18 O=C1OC(Cl)C(Cl)O1 2H28-5-01 [0,2,0,0,0,0|2,0,0]=4 498 B8R1.18 O=C1O[C@H](F)[C@@H](F)O1 2H28-3-E0 [0,2,0,0,0,0|2,0,0]=4 499 B8R1.50 CC1C(=O)CCC1=O 2218-1-X5 [0,2,0,0,0,0|0,0,1]=3 500 B8R1.50 CN1CCN(C)C1=O 4H17-1-13 [0,2,0,0,0,0|2,0,0]=4 501 B8R1.50 O=C1CCC(=O)N1Br 4H48-9-01 [0,2,0,0,0,0|1,0,1]=4 502 B8R1.50 O=C1CCC(=O)N1Cl 4H48-5-01 [0,2,0,0,0,0|1,0,1]=4 503 B8R1.50 O=C1CCC(=O)N1I P911-A-33 [0,2,0,0,0,0|1,0,1]=4 504 B8R1.50 O=C1CCC(=O)N1O 4H48-1-M9 [0,2,0,0,0,0|1,0,1]=4 505 B8R1.50 O=C1COC(=O)C1Cl 2H18-5-02 [0,2,0,0,0,0|1,0,1]=4 506 B8R1.51 NC1CCS(=O)(=O)C1 8H70-5-X9 [0,2,0,0,0,0|1,0,0]=3 507 B8R1.19 CC1(C)CONC1=O 4H56-1-417 [0,2,0,0,0,0|2,0,0]=4 508 B6R1.11 CC(=O)C1CC1 2217-1-X9 [0,0,1,1,0,0|0,0,0]=2 509 B6R1.11 CC(N)C1CC1 P911-A-20 [0,0,1,1,0,0|1,0,1]=4 510 B6R1.11 CC(O)C1CC1 2202-1-14 [0,0,1,1,0,0|0,0,2]=4 511 B6R1.11 N=C(N)C1CC1 3241-5-X2 [0,0,1,1,0,0|2,0,0]=4 512 B6R1.11 O=C(Cl)C1CC1 2216-5-X1 [0,0,1,1,0,0|1,0,0]=3 513 B6R1.11 O=C(O)C1CC1 2221-1-X1 [0,0,1,1,0,0|1,0,0]=3 514 B6R1.1 C1=CCOCC1 2H10-1-53 [0,0,1,1,0,0|2,0,0]=4 515 B6R1.1 C1=COCCC1 2H02-1-12 [0,0,1,1,0,0|0,0,2]=4 516 B6R1.1 C1CCCCC1 1200-1-06 [0,0,1,1,0,0|1,0,1]=4 517 B8R2.38 O=C1CCC2CC12 2217-1-33 [0,0,0,1,0,1|0,0,0]=2 518 B4R1.1 C1CNC1 3H31-5-W1 [1,0,0,0,1,0|1,0,0]=3 519 B4R1.1 C1CNC1 P612-A-70 [1,0,0,0,1,0|1,0,0]=3 520 B4R1.2 BrC1CC1 1200-9-02 [0,0,0,0,2,0|1,0,1]=4 521 B4R1.2 NC1CC1 3230-1-X2 [0,0,0,0,2,0|1,0,1]=4 522 B8R1.22 NC1CCCCNC1 3H32-1-53 [0,0,0,0,0,2|1,0,1]=4 523 B8R1.22 N[C@@H]1CCCCNC1 3H32-1-R1 [0,0,0,0,0,2|1,0,1]=4 524 B8R1.22 N[C@H]1CCCCNC1 3H32-1-S1 [0,0,0,0,0,2|1,0,1]=4 525 B8R1.22 O=C1CCCCCC1 2217-1-X7 [0,0,0,0,0,2|0,0,0]=2 526 B8R1.22 O=C1CCCCCN1 4H17-1-3G [0,0,0,0,0,2|0,0,0]=2 527 B8R1.22 O=C1CCCCCO1 2225-1-01 [0,0,0,0,0,2|0,0,0]=2 528 B8R1.22 O=C1CCCNCC1 P612-A-68 [0,0,0,0,0,2|0,0,0]=2 529 B8R1.22 O=C1CCNCCN1 4H17-1-01 [0,0,0,0,0,2|0,0,0]=2 530 B8R1.22 O=C1CCNCCN1 4H48-5-Z9 [0,0,0,0,0,2|0,0,0]=2 531 B8R1.22 O=C1CCOCCN1 4H48-1-0A5 [0,0,0,0,0,2|0,0,0]=2 532 B8R1.22 OC1CCCCCC1 2202-1-X0 [0,0,0,0,0,2|0,0,2]=4