0 B7R1.3 CN1CC=CCC1 3H33-5-1E [0,0,0,0,0,0|2,0,2]=4 1 B7R1.3 C[C@@H]1CNCCO1 4H56-1-R10 [0,0,0,0,0,0|2,0,0]=2 2 B7R1.3 C[C@H]1CNCCO1 4H44-5-75 [0,0,0,0,0,0|2,0,0]=2 3 B7R1.3 F[C@@H]1CCCNC1 3H31-7-R0 [0,0,0,0,0,0|3,0,0]=3 4 B7R1.3 F[C@H]1CCCNC1 3H31-7-S0 [0,0,0,0,0,0|3,0,0]=3 5 B7R1.3 OC1CCCNC1 4H56-1-909 [0,0,0,0,0,0|3,0,0]=3 6 B7R1.3 S=C1NCCCS1 7H67-1-28 [0,0,0,0,0,0|2,0,1]=3 7 B8R1.2 BrCC1CCCNC1 3H32-D-3Z [0,1,0,0,0,0|2,0,0]=3 8 B8R1.2 C#CC1CCCCN1 3H31-5-0A [0,1,0,0,0,0|0,0,1]=2 9 B8R1.2 CC[C@@H]1CCCCN1 3H31-5-RC [0,1,0,0,0,0|0,0,0]=1 10 B8R1.2 CC[C@@H]1CNCCO1 4H56-1-R50 [0,1,0,0,0,0|2,0,0]=3 11 B8R1.2 CC[C@H]1CNCCO1 4H56-1-S50 [0,1,0,0,0,0|2,0,0]=3 12 B8R1.2 COC1C=CCCC1 2407-1-00 [0,1,0,0,0,0|1,0,1]=3 13 B8R1.2 COC1CCCCC1 2207-1-07 [0,1,0,0,0,0|1,0,0]=2 14 B8R1.2 ClCC1CCNCC1 3H31-5-6Q [0,1,0,0,0,0|2,0,0]=3 15 B8R1.2 ClCC1CNCCO1 4H33-5-0R [0,1,0,0,0,0|2,0,0]=3 16 B8R1.2 FCC1CCNCC1 3H31-7-0N [0,1,0,0,0,0|2,0,0]=3 17 B8R1.2 ICC1CCNCC1 3H31-M-05 [0,1,0,0,0,0|2,0,0]=3 18 B8R1.2 N#CC1CCCCS1 7H37-1-04 [0,1,0,0,0,0|1,0,1]=3 19 B8R1.2 N#CC1CNCCN1 3H37-5-97 [0,1,0,0,0,0|1,0,1]=3 20 B8R1.2 NCC1COCCO1 4H30-1-D6 [0,1,0,0,0,0|2,0,0]=3 21 B8R1.2 NNC1CCNCC1 3H39-5-22 [0,1,0,0,0,0|3,0,0]=4 22 B8R1.2 OCC1CCCNC1 4H56-1-910 [0,1,0,0,0,0|2,0,0]=3 23 B8R1.2 OCC1CNCCO1 4H56-5-JJ [0,1,0,0,0,0|2,0,0]=3 24 B8R1.2 OCC1COCCN1 4H56-5-JK [0,1,0,0,0,0|1,0,0]=2 25 B8R1.2 OC[C@H]1CCCCN1 4H01-1-R3 [0,1,0,0,0,0|0,0,0]=1 26 B8R1.3 CN1CCC(Br)CC1 3H32-9-AF [0,1,0,0,0,0|2,0,0]=3 27 B8R1.3 N[C@H]1CCC(=O)NC1 4H48-5-SH [0,1,0,0,0,0|1,0,1]=3 28 B8R1.3 O=C1CCC(Br)CC1 2217-9-01 [0,1,0,0,0,0|2,0,1]=4 29 B8R1.3 O=C1CCC(F)CC1 2217-3-06 [0,1,0,0,0,0|2,0,1]=4 30 B8R1.4 CC1CCNC(C)C1 3H33-5-1C [0,1,0,0,0,0|0,0,0]=1 31 B8R1.4 CN1CCCC(Br)C1 3H32-9-A9 [0,1,0,0,0,0|2,0,0]=3 32 B8R1.4 C[C@@H]1CN(C)CCN1 4H22-1-67 [0,1,0,0,0,0|1,0,0]=2 33 B8R1.4 C[C@@H]1C[C@H](O)CCN1 4H56-5-R7 [0,1,0,0,0,0|0,0,0]=1 34 B8R1.4 C[C@H]1CNC[C@H](C)O1 4H31-1-2B [0,1,0,0,0,0|2,0,0]=3 35 B8R1.4 C[C@H]1C[C@@H](O)CCN1 4H56-5-1R [0,1,0,0,0,0|0,0,0]=1 36 B8R1.4 O=C1CCCC(Br)C1 2217-9-0B [0,1,0,0,0,0|2,0,1]=4 37 B8R1.4 O=C1CCCC(Cl)C1 2217-5-08 [0,1,0,0,0,0|2,0,1]=4 38 B8R1.5 CC1COCCC1=O 2H17-1-79 [0,1,0,0,0,0|2,0,0]=3 39 B8R1.5 C[C@@H]1CNCCN1C 3H31-1-R0 [0,1,0,0,0,0|1,0,0]=2 40 B8R1.5 C[C@H]1CNCCN1C 3H31-1-S0 [0,1,0,0,0,0|1,0,0]=2 41 B8R1.5 N[C@@H]1CCOC[C@@H]1F 4H56-7-2D [0,1,0,0,0,0|3,0,0]=4 42 B8R1.5 N[C@@H]1CCOC[C@H]1F 4H56-7-2E [0,1,0,0,0,0|3,0,0]=4 43 B8R1.5 N[C@@H]1CCOC[C@H]1O 4H56-1-144 [0,1,0,0,0,0|3,0,0]=4 44 B8R1.5 N[C@H]1CCOC[C@@H]1O 4H56-5-C4 [0,1,0,0,0,0|3,0,0]=4 45 B8R1.5 O=C1CCOCC1Cl 2H17-5-24 [0,1,0,0,0,0|3,0,0]=4 46 B8R1.5 O[C@@H]1CCNC[C@@H]1F 4H56-7-2G [0,1,0,0,0,0|3,0,0]=4 47 B8R1.5 O[C@H]1CCNC[C@@H]1F 4H56-7-2H [0,1,0,0,0,0|3,0,0]=4 48 B8R1.5 O[C@H]1CCNC[C@@H]1F 4H56-7-71 [0,1,0,0,0,0|3,0,0]=4 49 B8R1.5 O[C@H]1CNCC[C@@H]1F 4H56-7-68 [0,1,0,0,0,0|3,0,0]=4 50 B8R1.5 [C@@H]1(O)COCC[C@H]1N 4H56-5-9X [0,1,0,0,0,0|3,0,0]=4 51 B8R1.72 CC1(F)CCNCC1 3H31-7-65 [0,1,0,0,0,0|2,0,0]=3 52 B8R1.72 CC1(O)CCOCC1 2H10-1-Z0 [0,1,0,0,0,0|2,0,0]=3 53 B6R0.1 CCC(C)CNC 3131-5-05 [0,0,1,0,0,0|2,0,0]=3 54 B6R0.1 CCNC(=O)CBr 4148-9-03 [0,0,1,0,0,0|2,0,1]=4 55 B6R0.4 C=CCCC(C)Br 1300-9-21 [0,0,1,0,0,0|1,0,2]=4 56 B6R0.4 CC(C)CCON 4147-5-07 [0,0,1,0,0,0|3,0,0]=4 57 B6R0.4 CN(C)CCCBr 3132-9-02 [0,0,1,0,0,0|3,0,0]=4 58 B6R0.6 CCNCCOC 4156-1-3Q [0,0,1,0,0,0|1,0,0]=2 59 B8R2.11 [C@@H]12CNC[C@@H]1[C@H]2O 4H56-5-1S [0,0,0,1,0,0|3,0,0]=4 60 B8R2.25 C1CCC2NC2C1 3H31-1-4H [0,0,0,1,0,0|2,0,0]=3 61 B8R2.34 C1CC2CCC1N2 3H31-1-0Z [0,0,0,1,0,0|2,0,0]=3 62 B6R1.2 C[C@H]1CCCN1 3H31-1-S2 [0,0,0,0,1,0|0,0,0]=1 63 B6R1.2 I[C@H]1CCOC1 2H10-H-S1 [0,0,0,0,1,0|2,0,0]=3 64 B6R1.2 O=C1CCNN1 4H48-5-FV [0,0,0,0,1,0|2,0,1]=4 65 B6R1.2 OC1CNOC1 4H02-5-0F [0,0,0,0,1,0|3,0,0]=4 66 B8R1.22 C=C1OCCCCO1 2H10-1-71 [0,0,0,0,0,1|1,0,2]=4 67 B8R1.22 CC1CCCCCN1 3H31-1-F4 [0,0,0,0,0,1|0,0,0]=1 68 B5R0.1 C=CCC(C)N 3230-5-0A [1,0,1,0,0,0|0,0,2]=4 69 B5R0.2 C#CCCCN 3533-5-03 [1,0,1,0,0,0|0,0,2]=4 70 B5R0.2 CNCCSC 7166-5-02 [1,0,1,0,0,0|1,0,0]=3 71 B5R0.2 FCCCCF 1100-3-44 [1,0,1,0,0,0|2,0,0]=4 72 B5R0.2 NCCCCCl 3130-5-07 [1,0,1,0,0,0|1,0,0]=3 73 B5R0.3 CC(CO)CBr 2101-9-0B [1,0,1,0,0,0|2,0,0]=4 74 B5R0.3 CN[C@@H](C)CO 4156-5-S1 [1,0,1,0,0,0|1,0,0]=3 75 B7R0.5 CCCC(C)C(C)=O 2117-1-0J [0,1,1,0,0,0|1,0,0]=3 76 B7R0.10 CN[C@H](C)C(=O)OC 4158-5-RJ [0,1,1,0,0,0|1,0,1]=4 77 B7R0.11 CCCC(C)(C)C#N 3137-1-0M [0,1,1,0,0,0|2,0,0]=4 78 B7R0.1 CCCCSCCO 6166-1-0L [0,1,1,0,0,0|1,0,0]=3 79 B7R1.1 BrC[C@H]1CCCO1 2H10-9-R1 [0,1,0,0,1,0|1,0,0]=3 80 B7R1.1 CN[C@@H]1CCNC1 3H31-5-RK [0,1,0,0,1,0|1,0,0]=3 81 B7R1.1 FC[C@@H]1CCCN1 3H31-7-58 [0,1,0,0,1,0|0,0,0]=2 82 B7R1.1 N#C[C@@H]1CCOC1 3H37-1-S0 [0,1,0,0,1,0|1,0,1]=4 83 B7R1.1 NC[C@@H]1CCOC1 4H56-1-S15 [0,1,0,0,1,0|1,0,0]=3 84 B7R1.1 NC[C@H]1CCCN1 3H30-1-2R [0,1,0,0,1,0|0,0,0]=2 85 B7R1.1 NC[C@H]1CCOC1 4H56-1-R07 [0,1,0,0,1,0|1,0,0]=3 86 B7R1.1 NC[C@H]1CCOC1 4H56-5-RC [0,1,0,0,1,0|1,0,0]=3 87 B7R1.1 OC[C@@H]1CCOC1 2H10-1-S0 [0,1,0,0,1,0|1,0,0]=3 88 B7R1.2 CC1CCC(C)N1 3H31-5-0R [0,1,0,0,1,0|0,0,0]=2 89 B7R1.2 CC1CNC(=S)N1 7H67-1-34 [0,1,0,0,1,0|1,0,1]=4 90 B7R1.2 CC1COC(=O)N1 4H56-1-0P2 [0,1,0,0,1,0|1,0,1]=4 91 B7R1.2 CN1CC[C@@H](N)C1 3H30-1-R1 [0,1,0,0,1,0|1,0,0]=3 92 B7R1.2 CN1CC[C@H](N)C1 3H30-1-S0 [0,1,0,0,1,0|1,0,0]=3 93 B7R1.2 NC1CNC(=O)C1 4H48-1-6A [0,1,0,0,1,0|1,0,1]=4 94 B7R1.2 N[C@@H]1CC[C@H](O)C1 4256-5-40 [0,1,0,0,1,0|1,0,0]=3 95 B7R1.2 N[C@@H]1CNC(=O)C1 4H48-5-S0 [0,1,0,0,1,0|1,0,1]=4 96 B7R1.2 N[C@H]1CC[C@@H](O)C1 4256-5-44 [0,1,0,0,1,0|1,0,0]=3 97 B7R1.2 N[C@H]1CC[C@H](O)C1 4256-5-45 [0,1,0,0,1,0|1,0,0]=3 98 B7R1.2 O[C@H]1CC[C@@H](O)C1 2204-1-0D [0,1,0,0,1,0|1,0,0]=3 99 B7R1.4 N[C@@H]1CCC[C@@H]1O 4256-5-30 [0,1,0,0,1,0|1,0,0]=3 100 B7R1.4 N[C@@H]1CNC[C@H]1F 3H33-7-15 [0,1,0,0,1,0|2,0,0]=4 101 B7R1.4 N[C@@H]1COC[C@@H]1O 4H56-5-8A [0,1,0,0,1,0|2,0,0]=4 102 B7R1.4 N[C@@H]1COC[C@H]1O 4H56-5-8E [0,1,0,0,1,0|2,0,0]=4 103 B7R1.4 O=C1CCCC1Br 2215-9-00 [0,1,0,0,1,0|1,0,1]=4 104 B7R1.4 O[C@@H]1CNC[C@H]1O 4H56-1-820 [0,1,0,0,1,0|2,0,0]=4 105 B7R1.4 O[C@H]1COC[C@@H]1O 2H04-1-S1 [0,1,0,0,1,0|2,0,0]=4 106 B7R1.14 CC1(N)CCCC1 3230-5-22 [0,1,0,0,1,0|0,0,0]=2 107 B7R1.14 N=S1(=O)CCCC1 8H69-1-3T [0,1,0,0,1,0|2,0,0]=4 108 B9R1.5 CC1CCNCCN1C 3H31-1-9T [0,1,0,0,0,1|0,0,0]=2 109 B9R1.5 N[C@@H]1CCCCC[C@H]1O 4256-1-47 [0,1,0,0,0,1|2,0,0]=4 110 B9R1.49 CN1CCCC(N)CC1 3H32-1-AY [0,1,0,0,0,1|2,0,0]=4 111 B9R1.89 CCN1CCCCCC1 3H32-1-FY [0,1,0,0,0,1|2,0,0]=4 112 B9R1.89 N#CC1CCCNCC1 3H37-1-2F [0,1,0,0,0,1|1,0,1]=4 113 B9R1.89 OC[C@@H]1CCCCCN1 4H01-1-S6 [0,1,0,0,0,1|0,0,0]=2 114 B9R1.148 FC1(F)CCCNCC1 3H32-7-4W [0,1,0,0,0,1|2,0,0]=4 115 B9R1.1 CC1CCC(CCl)CC1 1200-6-00 [0,2,0,0,0,0|1,0,0]=3 116 B9R1.1 CN1CCC(CBr)CC1 3H32-9-5T [0,2,0,0,0,0|2,0,0]=4 117 B9R1.1 COC1CCC(N)CC1 4233-5-04 [0,2,0,0,0,0|1,0,0]=3 118 B9R1.1 NC[C@H]1CC[C@H](O)CC1 4256-5-46 [0,2,0,0,0,0|1,0,0]=3 119 B9R1.2 CCC1CCCC(O)C1 2202-1-13 [0,2,0,0,0,0|1,0,0]=3 120 B9R1.2 CN1CCOC(CO)C1 4H01-1-4R [0,2,0,0,0,0|2,0,0]=4 121 B9R1.2 CN1CCO[C@@H](CO)C1 4H01-1-R0 [0,2,0,0,0,0|2,0,0]=4 122 B9R1.2 O=C1CC(CO)CCN1 4H56-1-042 [0,2,0,0,0,0|1,0,1]=4 123 B9R1.2 O=C1CCCC(CO)C1 2220-1-01 [0,2,0,0,0,0|1,0,1]=4 124 B9R1.6 CC(C)C1CNCCO1 4H56-1-0NB [0,2,0,0,0,0|2,0,0]=4 125 B9R1.6 CC(C)C1COCCN1 4H56-1-308 [0,2,0,0,0,0|1,0,0]=3 126 B9R1.6 CC(C)[C@@H]1CNCCO1 4H56-1-R48 [0,2,0,0,0,0|2,0,0]=4 127 B9R1.6 CC(C)[C@H]1CNCCO1 4H56-1-S48 [0,2,0,0,0,0|2,0,0]=4 128 B9R1.8 CCC[C@@H]1CCCCN1 3H31-5-RD [0,2,0,0,0,0|0,0,0]=2 129 B9R1.8 CCC[C@H]1CCCCN1 3H31-5-SD [0,2,0,0,0,0|0,0,0]=2 130 B9R1.8 COCC1CNCCO1 4H07-5-1A [0,2,0,0,0,0|2,0,0]=4 131 B9R1.8 COCC1COCCN1 4H56-5-DP [0,2,0,0,0,0|1,0,0]=3 132 B9R1.8 COC[C@@H]1CNCCO1 4H56-5-SJ [0,2,0,0,0,0|2,0,0]=4 133 B9R1.8 COC[C@@H]1COCCN1 4H56-5-RT [0,2,0,0,0,0|1,0,0]=3 134 B9R1.8 COC[C@H]1CNCCO1 4H56-5-RJ [0,2,0,0,0,0|2,0,0]=4 135 B9R1.8 COC[C@H]1COCCN1 4H56-5-ST [0,2,0,0,0,0|1,0,0]=3 136 B9R1.8 FCCC1CCNCC1 3H31-3-50 [0,2,0,0,0,0|2,0,0]=4 137 B9R1.8 NCCC1CCSCC1 7H66-1-0B [0,2,0,0,0,0|2,0,0]=4 138 B9R1.8 OCCC1CNCCO1 4H01-5-1S [0,2,0,0,0,0|2,0,0]=4 139 B9R1.8 OCC[C@@H]1CCCCN1 4H56-1-S20 [0,2,0,0,0,0|0,0,0]=2 140 B9R1.8 OCC[C@@H]1CCCCN1 4H56-5-SD [0,2,0,0,0,0|0,0,0]=2 141 B9R1.15 CN1CCOCC1CO 4H01-1-4E [0,2,0,0,0,0|1,0,0]=3 142 B9R1.15 CN1CCOC[C@@H]1CO 4H01-1-S2 [0,2,0,0,0,0|1,0,0]=3 143 B9R1.15 CN1CCOC[C@H]1CO 4H01-5-R0 [0,2,0,0,0,0|1,0,0]=3 144 B9R1.15 CN[C@@H]1CCCC[C@H]1O 4256-5-37 [0,2,0,0,0,0|1,0,0]=3 145 B9R1.15 COC1COCCC1=O 2H17-1-84 [0,2,0,0,0,0|2,0,0]=4 146 B9R1.15 CO[C@@H]1COCC[C@H]1N 4H56-1-793 [0,2,0,0,0,0|2,0,0]=4 147 B9R1.15 CO[C@H]1COCC[C@@H]1N 4H56-1-185 [0,2,0,0,0,0|2,0,0]=4 148 B9R1.15 NC[C@@H]1CCCC[C@H]1N 3230-1-00 [0,2,0,0,0,0|1,0,0]=3 149 B9R1.15 OC[C@H]1CCNC[C@H]1F 4H56-7-2J [0,2,0,0,0,0|2,0,0]=4 150 B9R1.118 CC1(C#N)CCCNC1 3H37-5-26 [0,2,0,0,0,0|2,0,0]=4 151 B9R1.118 N#CC1(Br)CCCCC1 3237-9-01 [0,2,0,0,0,0|1,0,1]=4 152 B9R1.10 CC1(C)CCC(N)CC1 3230-5-24 [0,2,0,0,0,0|1,0,0]=3 153 B9R1.10 CC1(O)CCC(N)CC1 4256-1-67 [0,2,0,0,0,0|1,0,0]=3 154 B9R1.10 C[C@]1(O)CC[C@H](N)CC1 4256-1-50 [0,2,0,0,0,0|1,0,0]=3 155 B9R1.10 O=C1CCC(F)(F)CN1 4H48-3-3G [0,2,0,0,0,0|1,0,1]=4 156 B9R1.34 CC1CC(=O)CC(C)N1 4H17-5-1U [0,2,0,0,0,0|0,0,1]=3 157 B9R1.34 CC1CC(O)CC(C)N1 4H02-1-15 [0,2,0,0,0,0|0,0,0]=2 158 B9R1.66 CN1CCCC(C)(N)C1 3H30-1-DX [0,2,0,0,0,0|2,0,0]=4 159 B7R1.6 CCOC1CNC1 4H56-5-DR [0,0,1,1,0,0|2,0,0]=4 160 B7R1.6 COC[C@@H]1CCN1 4H56-1-S0H [0,0,1,1,0,0|1,0,0]=3 161 B7R1.6 COC[C@H]1CCN1 4H56-1-R02 [0,0,1,1,0,0|1,0,0]=3 162 B7R1.6 NCCC1CCC1 3230-1-0B [0,0,1,1,0,0|2,0,0]=4 163 B7R1.10 CN[C@H]1C[C@@H](O)C1 4256-5-39 [0,0,1,1,0,0|1,0,0]=3 164 B7R1.10 COC1CC(N)C1 4256-5-06 [0,0,1,1,0,0|2,0,0]=4 165 B7R1.10 CO[C@H]1C[C@@H](Br)C1 2207-9-Z0 [0,0,1,1,0,0|2,0,0]=4 166 B7R1.10 CO[C@H]1C[C@H](N)C1 4256-5-22 [0,0,1,1,0,0|2,0,0]=4 167 B7R1.25 CNC1(C)COC1 4H56-1-785 [0,0,1,1,0,0|1,0,0]=3 168 B7R1.27 CCC1(C)ON1C 4H56-1-03N [0,0,1,1,0,0|2,0,0]=4 169 B7R1.12 CC1CC1C(N)=O 4248-1-12 [0,0,1,1,0,0|1,0,1]=4 170 B7R1.17 CC1(C)CCC1O 2202-1-0E [0,0,1,1,0,0|2,0,0]=4 171 B7R1.18 CC(N)C1CCC1 3230-5-0B [0,0,1,1,0,0|0,0,0]=2 172 B7R1.18 CC(O)C1CNC1 4H02-5-0E [0,0,1,1,0,0|2,0,0]=4 173 B7R1.20 NC(=S)CC1CC1 7267-1-05 [0,0,1,1,0,0|1,0,1]=4 174 B7R1.24 C1=CCCNCC1 3H31-5-9D [0,0,1,1,0,0|0,0,2]=4 175 B7R2.11 C1NC2CC1C2 3H31-5-0M [0,0,0,1,1,0|0,0,0]=2 176 B9R2.7 O=C1N[C@@H]2CCC[C@H]12 4H48-1-Z10 [0,0,0,1,0,1|1,0,1]=4 177 B9R2.68 C1CN2CCC(C2)N1 3H31-1-8G [0,0,0,1,0,1|0,0,0]=2 178 B9R2.49 C1CC2CCC1CN2 3H31-5-0B [0,1,0,1,0,0|0,0,0]=2 179 B9R2.53 OC1C2CNCC1C2 4H56-5-D5 [0,1,0,1,0,0|2,0,0]=4 180 B9R2.56 OCC12CNCC1C2 4H56-5-1G [0,1,0,1,0,0|2,0,0]=4 181 B9R2.70 N#CC1NCC2CC21 3H37-1-5X [0,1,0,1,0,0|0,0,1]=3 182 B9R2.174 C1CNCC2(C1)CC2 3H31-5-27 [0,1,0,1,0,0|2,0,0]=4 183 B9R2.174 C1COC2(CC2)CN1 4H56-5-NM [0,1,0,1,0,0|2,0,0]=4 184 B9R2.174 C1COCC2(CC2)N1 4H56-5-QD [0,1,0,1,0,0|1,0,0]=3 185 B9R2.39 [C@H]12CC[C@@H](C1)[C@@H](N)C2 3233-5-05 [0,1,0,1,0,0|1,0,0]=3 186 B5R1.2 CC1CCN1 3H31-5-4U [0,0,0,0,2,0|0,0,0]=2 187 B5R1.2 IC1CCC1 1200-H-02 [0,0,0,0,2,0|1,0,0]=3 188 B5R1.2 SC1COC1 6H61-1-01 [0,0,0,0,2,0|2,0,0]=4 189 B9R1.50 NC1C=CCCCCC1 3430-1-01 [0,0,0,0,0,2|2,0,0]=4 190 B9R1.50 O=C1NCCCCCN1 4H53-1-0G [0,0,0,0,0,2|1,0,1]=4