0 B7R0.1 CCCCSCCO 6166-1-0L [0,0,0,0,0,0|0,1,0]=1 1 B6R0.6 CCNCCOC 4156-1-3Q [1,0,0,0,0,0|2,0,0]=3 2 B8R0.1 COCCN(C)CCO 4156-1-74 [0,1,0,0,0,0|2,0,0]=3 3 B8R0.4 N#CCCCNCCO 4137-1-10 [0,1,0,0,0,0|1,0,1]=3 4 B8R0.6 CCCCOC(=O)C=O 2129-1-0S [0,1,0,0,0,0|0,0,3]=4 5 B8R0.6 N#CC(O)CCCCO 4137-1-11 [0,1,0,0,0,0|2,0,1]=4 6 B8R0.7 C=C(C)CCCCCC 1300-1-30 [0,1,0,0,0,0|2,0,1]=4 7 B8R0.7 COCCCCB(O)O 6160-1-0F [0,1,0,0,0,0|3,0,0]=4 8 B8R1.2 BrCC1CCCNC1 3H32-D-3Z [0,0,0,1,0,0|3,0,0]=4 9 B8R1.2 C#CC1CCCCN1 3H31-5-0A [0,0,0,1,0,0|2,0,1]=4 10 B8R1.2 CC[C@@H]1CCCCN1 3H31-5-RC [0,0,0,1,0,0|2,0,0]=3 11 B8R1.2 CC[C@@H]1CNCCO1 4H56-1-R50 [0,0,0,1,0,0|1,0,0]=2 12 B8R1.2 CC[C@H]1CNCCO1 4H56-1-S50 [0,0,0,1,0,0|1,0,0]=2 13 B8R1.2 COC1CCCCC1 2207-1-07 [0,0,0,1,0,0|3,0,0]=4 14 B8R1.2 ClCC1CCNCC1 3H31-5-6Q [0,0,0,1,0,0|3,0,0]=4 15 B8R1.2 ClCC1CNCCO1 4H33-5-0R [0,0,0,1,0,0|2,0,0]=3 16 B8R1.2 FCC1CCNCC1 3H31-7-0N [0,0,0,1,0,0|3,0,0]=4 17 B8R1.2 ICC1CCNCC1 3H31-M-05 [0,0,0,1,0,0|3,0,0]=4 18 B8R1.2 N#CC1CCCCS1 7H37-1-04 [0,0,0,1,0,0|1,1,1]=4 19 B8R1.2 NCC1COCCO1 4H30-1-D6 [0,0,0,1,0,0|1,0,0]=2 20 B8R1.2 OCC1CCCNC1 4H56-1-910 [0,0,0,1,0,0|2,0,0]=3 21 B8R1.2 OCC1CNCCO1 4H56-5-JJ [0,0,0,1,0,0|1,0,0]=2 22 B8R1.2 OCC1COCCN1 4H56-5-JK [0,0,0,1,0,0|2,0,0]=3 23 B8R1.2 OC[C@H]1CCCCN1 4H01-1-R3 [0,0,0,1,0,0|1,0,0]=2 24 B8R1.5 CC1COCCC1=O 2H17-1-79 [0,0,0,1,0,0|2,0,1]=4 25 B8R1.5 C[C@@H]1CNCCN1C 3H31-1-R0 [0,0,0,1,0,0|3,0,0]=4 26 B8R1.5 C[C@H]1CNCCN1C 3H31-1-S0 [0,0,0,1,0,0|3,0,0]=4 27 B8R1.5 N[C@@H]1CCOC[C@@H]1F 4H56-7-2D [0,0,0,1,0,0|2,0,0]=3 28 B8R1.5 N[C@@H]1CCOC[C@H]1F 4H56-7-2E [0,0,0,1,0,0|2,0,0]=3 29 B8R1.5 N[C@@H]1CCOC[C@H]1O 4H56-1-144 [0,0,0,1,0,0|1,0,0]=2 30 B8R1.5 N[C@H]1CCOC[C@@H]1O 4H56-5-C4 [0,0,0,1,0,0|1,0,0]=2 31 B8R1.5 O=C1CCOCC1Cl 2H17-5-24 [0,0,0,1,0,0|2,0,1]=4 32 B8R1.5 O[C@@H]1CCNC[C@@H]1F 4H56-7-2G [0,0,0,1,0,0|3,0,0]=4 33 B8R1.5 O[C@H]1CCNC[C@@H]1F 4H56-7-2H [0,0,0,1,0,0|3,0,0]=4 34 B8R1.5 O[C@H]1CCNC[C@@H]1F 4H56-7-71 [0,0,0,1,0,0|3,0,0]=4 35 B8R1.5 O[C@H]1CNCC[C@@H]1F 4H56-7-68 [0,0,0,1,0,0|2,0,0]=3 36 B8R1.5 [C@@H]1(O)COCC[C@H]1N 4H56-5-9X [0,0,0,1,0,0|1,0,0]=2 37 B8R1.8 NNCC1CCCC1 3239-1-02 [0,0,0,1,0,0|3,0,0]=4 38 B8R1.8 OCCC1CCCC1 2201-1-0D [0,0,0,1,0,0|1,0,0]=2 39 B8R1.8 OCCC1CCNC1 4H56-1-327 [0,0,0,1,0,0|2,0,0]=3 40 B8R1.10 CNCCC1CCC1 3231-1-07 [0,0,0,1,0,0|3,0,0]=4 41 B8R1.22 CC1CCCCCN1 3H31-1-F4 [0,0,0,1,0,0|2,0,0]=3 42 B8R1.36 OCCCCC1CN1 4H56-1-513 [0,0,0,1,0,0|2,0,0]=3 43 B5R0.2 CNCCSC 7166-5-02 [2,0,0,0,0,0|1,1,0]=4 44 B5R0.2 FCCCCF 1100-3-44 [2,0,0,0,0,0|2,0,0]=4 45 B5R0.2 NCCCCCl 3130-5-07 [2,0,0,0,0,0|2,0,0]=4 46 B7R0.3 C#CCOC(C)CO 2507-1-00 [1,1,0,0,0,0|0,0,2]=4 47 B7R0.4 CNCCOC(C)=O 4133-5-03 [1,1,0,0,0,0|1,0,1]=4 48 B7R0.4 O=C(O)CCCCO 2120-1-00 [1,1,0,0,0,0|1,0,1]=4 49 B9R0.24 CCC(C)CCC(C)CC 1100-1-X1 [0,2,0,0,0,0|2,0,0]=4 50 B9R0.24 CC[C@@H](O)CC[C@H](O)CC 2104-1-0G [0,2,0,0,0,0|2,0,0]=4 51 B9R0.47 CCCCCC(C)C(C)C 1100-1-08 [0,2,0,0,0,0|2,0,0]=4 52 B9R0.38 OCCCCCC(F)(F)F 2101-3-0E [0,2,0,0,0,0|2,0,0]=4 53 B7R1.1 BrC[C@H]1CCCO1 2H10-9-R1 [1,0,0,1,0,0|1,0,0]=3 54 B7R1.1 CN[C@@H]1CCNC1 3H31-5-RK [1,0,0,1,0,0|2,0,0]=4 55 B7R1.1 FC[C@@H]1CCCN1 3H31-7-58 [1,0,0,1,0,0|2,0,0]=4 56 B7R1.1 N#C[C@@H]1CCOC1 3H37-1-S0 [1,0,0,1,0,0|1,0,1]=4 57 B7R1.1 NC[C@@H]1CCOC1 4H56-1-S15 [1,0,0,1,0,0|1,0,0]=3 58 B7R1.1 NC[C@H]1CCCN1 3H30-1-2R [1,0,0,1,0,0|2,0,0]=4 59 B7R1.1 NC[C@H]1CCOC1 4H56-1-R07 [1,0,0,1,0,0|1,0,0]=3 60 B7R1.1 NC[C@H]1CCOC1 4H56-5-RC [1,0,0,1,0,0|1,0,0]=3 61 B7R1.1 OC[C@@H]1CCOC1 2H10-1-S0 [1,0,0,1,0,0|1,0,0]=3 62 B7R1.3 C[C@@H]1CNCCO1 4H56-1-R10 [1,0,0,1,0,0|1,0,0]=3 63 B7R1.3 C[C@H]1CNCCO1 4H44-5-75 [1,0,0,1,0,0|1,0,0]=3 64 B7R1.3 F[C@@H]1CCCNC1 3H31-7-R0 [1,0,0,1,0,0|2,0,0]=4 65 B7R1.3 F[C@H]1CCCNC1 3H31-7-S0 [1,0,0,1,0,0|2,0,0]=4 66 B7R1.3 OC1CCCNC1 4H56-1-909 [1,0,0,1,0,0|1,0,0]=3 67 B7R1.4 N[C@@H]1CCC[C@@H]1O 4256-5-30 [1,0,0,1,0,0|1,0,0]=3 68 B7R1.4 N[C@@H]1COC[C@@H]1O 4H56-5-8A [1,0,0,1,0,0|1,0,0]=3 69 B7R1.4 N[C@@H]1COC[C@H]1O 4H56-5-8E [1,0,0,1,0,0|1,0,0]=3 70 B7R1.4 O[C@@H]1CNC[C@H]1O 4H56-1-820 [1,0,0,1,0,0|2,0,0]=4 71 B7R1.4 O[C@H]1COC[C@@H]1O 2H04-1-S1 [1,0,0,1,0,0|1,0,0]=3 72 B7R1.6 CCOC1CNC1 4H56-5-DR [1,0,0,1,0,0|1,0,0]=3 73 B7R1.6 COC[C@@H]1CCN1 4H56-1-S0H [1,0,0,1,0,0|2,0,0]=4 74 B7R1.6 COC[C@H]1CCN1 4H56-1-R02 [1,0,0,1,0,0|2,0,0]=4 75 B7R1.6 NCCC1CCC1 3230-1-0B [1,0,0,1,0,0|1,0,0]=3 76 B7R1.6 OCCN1CCC1 4H01-1-8D [1,0,0,1,0,0|1,0,0]=3 77 B7R1.8 O=C1CCC1CO 2220-1-06 [1,0,0,1,0,0|1,0,1]=4 78 B9R1.2 CCC1CCCC(O)C1 2202-1-13 [0,1,0,1,0,0|1,0,0]=3 79 B9R1.2 CN1CCOC(CO)C1 4H01-1-4R [0,1,0,1,0,0|1,0,0]=3 80 B9R1.2 CN1CCO[C@@H](CO)C1 4H01-1-R0 [0,1,0,1,0,0|1,0,0]=3 81 B9R1.2 O=C1CCCC(CO)C1 2220-1-01 [0,1,0,1,0,0|1,0,1]=4 82 B9R1.7 CN1CCC(CCO)C1 4H56-1-782 [0,1,0,1,0,0|2,0,0]=4 83 B9R1.8 CCC[C@@H]1CCCCN1 3H31-5-RD [0,1,0,1,0,0|2,0,0]=4 84 B9R1.8 CCC[C@H]1CCCCN1 3H31-5-SD [0,1,0,1,0,0|2,0,0]=4 85 B9R1.8 COCC1CNCCO1 4H07-5-1A [0,1,0,1,0,0|1,0,0]=3 86 B9R1.8 COCC1COCCN1 4H56-5-DP [0,1,0,1,0,0|1,0,0]=3 87 B9R1.8 COC[C@@H]1CNCCO1 4H56-5-SJ [0,1,0,1,0,0|1,0,0]=3 88 B9R1.8 COC[C@@H]1COCCN1 4H56-5-RT [0,1,0,1,0,0|1,0,0]=3 89 B9R1.8 COC[C@H]1CNCCO1 4H56-5-RJ [0,1,0,1,0,0|1,0,0]=3 90 B9R1.8 COC[C@H]1COCCN1 4H56-5-ST [0,1,0,1,0,0|1,0,0]=3 91 B9R1.8 FCCC1CCNCC1 3H31-3-50 [0,1,0,1,0,0|2,0,0]=4 92 B9R1.8 NCCC1CCSCC1 7H66-1-0B [0,1,0,1,0,0|2,0,0]=4 93 B9R1.8 OCCC1CNCCO1 4H01-5-1S [0,1,0,1,0,0|1,0,0]=3 94 B9R1.8 OCC[C@@H]1CCCCN1 4H56-1-S20 [0,1,0,1,0,0|1,0,0]=3 95 B9R1.8 OCC[C@@H]1CCCCN1 4H56-5-SD [0,1,0,1,0,0|1,0,0]=3 96 B9R1.15 CN1CCOCC1CO 4H01-1-4E [0,1,0,1,0,0|1,0,0]=3 97 B9R1.15 CN1CCOC[C@@H]1CO 4H01-1-S2 [0,1,0,1,0,0|1,0,0]=3 98 B9R1.15 CN1CCOC[C@H]1CO 4H01-5-R0 [0,1,0,1,0,0|1,0,0]=3 99 B9R1.15 CN[C@@H]1CCCC[C@H]1O 4256-5-37 [0,1,0,1,0,0|1,0,0]=3 100 B9R1.15 COC1COCCC1=O 2H17-1-84 [0,1,0,1,0,0|1,0,1]=4 101 B9R1.15 CO[C@@H]1COCC[C@H]1N 4H56-1-793 [0,1,0,1,0,0|1,0,0]=3 102 B9R1.15 CO[C@H]1COCC[C@@H]1N 4H56-1-185 [0,1,0,1,0,0|1,0,0]=3 103 B9R1.15 NC[C@@H]1CCCC[C@H]1N 3230-1-00 [0,1,0,1,0,0|2,0,0]=4 104 B9R1.15 OC[C@H]1CCNC[C@H]1F 4H56-7-2J [0,1,0,1,0,0|2,0,0]=4 105 B9R1.117 OCCCC1(O)CCC1 2204-1-0A [0,1,0,1,0,0|1,0,0]=3 106 B9R1.134 CC1(CCI)OCCO1 2H10-H-20 [0,1,0,1,0,0|1,0,0]=3 107 B9R1.5 CC1CCNCCN1C 3H31-1-9T [0,1,0,1,0,0|2,0,0]=4 108 B9R1.5 N[C@@H]1CCCCC[C@H]1O 4256-1-47 [0,1,0,1,0,0|1,0,0]=3 109 B9R1.17 NCCOCC1CCC1 4256-1-15 [0,1,0,1,0,0|1,0,0]=3 110 B9R1.89 CCN1CCCCCC1 3H32-1-FY [0,1,0,1,0,0|2,0,0]=4 111 B9R1.89 OC[C@@H]1CCCCCN1 4H01-1-S6 [0,1,0,1,0,0|1,0,0]=3 112 B9R1.1 CC1CCC(CCl)CC1 1200-6-00 [0,1,0,1,0,0|2,0,0]=4 113 B9R1.1 NC[C@H]1CC[C@H](O)CC1 4256-5-46 [0,1,0,1,0,0|2,0,0]=4 114 B9R1.21 OCC1CCC(CO)N1 4H04-1-16 [0,1,0,1,0,0|2,0,0]=4 115 B9R1.6 CC(C)C1CNCCO1 4H56-1-0NB [0,1,0,1,0,0|1,0,0]=3 116 B9R1.6 CC(C)C1COCCN1 4H56-1-308 [0,1,0,1,0,0|1,0,0]=3 117 B9R1.6 CC(C)[C@@H]1CNCCO1 4H56-1-R48 [0,1,0,1,0,0|1,0,0]=3 118 B9R1.6 CC(C)[C@H]1CNCCO1 4H56-1-S48 [0,1,0,1,0,0|1,0,0]=3 119 B9R1.24 CC1(C)CCOC1C=O 2H15-1-0C [0,1,0,1,0,0|0,0,2]=4 120 B9R1.96 CCC1CN[C@@H]1C(=O)O 4H21-1-S7 [0,1,0,1,0,0|1,0,1]=4 121 B9R2.49 C1CC2CCC1CN2 3H31-5-0B [0,0,0,2,0,0|2,0,0]=4 122 B9R2.53 OC1C2CNCC1C2 4H56-5-D5 [0,0,0,2,0,0|2,0,0]=4 123 B9R2.56 OCC12CNCC1C2 4H56-5-1G [0,0,0,2,0,0|2,0,0]=4 124 B9R2.68 C1CN2CCC(C2)N1 3H31-1-8G [0,0,0,2,0,0|2,0,0]=4 125 B9R2.174 C1CNCC2(C1)CC2 3H31-5-27 [0,0,0,2,0,0|2,0,0]=4 126 B9R2.174 C1COC2(CC2)CN1 4H56-5-NM [0,0,0,2,0,0|1,0,0]=3 127 B9R2.174 C1COCC2(CC2)N1 4H56-5-QD [0,0,0,2,0,0|1,0,0]=3 128 B9R2.39 [C@H]12CC[C@@H](C1)[C@@H](N)C2 3233-5-05 [0,0,0,2,0,0|2,0,0]=4 129 B9R2.3 C1NCC2COCC12 4H56-1-654 [0,0,0,2,0,0|2,0,0]=4 130 B9R2.3 C1NC[C@@H]2COC[C@H]12 4H44-5-10 [0,0,0,2,0,0|2,0,0]=4 131 B9R2.173 C1CC2(CCO2)CN1 4H22-1-69 [0,0,0,2,0,0|2,0,0]=4 132 B9R2.173 C1COC2(C1)CNC2 4H22-1-45 [0,0,0,2,0,0|2,0,0]=4 133 B9R2.157 C1CC(NC2CC2)C1 3231-1-09 [0,0,0,2,0,0|2,0,0]=4 134 B9R2.5 FC1CNCC12CC2 3H31-7-3T [0,0,0,2,0,0|2,0,0]=4 135 B9R2.28 OCCC1CC12CC2 2201-1-09 [0,0,0,2,0,0|1,0,0]=3 136 B9R2.69 C1CC1CNC2CC2 3231-1-0A [0,0,0,2,0,0|2,0,0]=4