0 B7R0.7 CCC[C@H](O)COC D77523 [0,0,0,0,0,0|1,0,2]=3 1 B7R0.7 COCC(Cl)COC D74903 [0,0,0,0,0,0|3,0,1]=4 2 B6R0.1 CCC[C@H](N)CF AC5307 [1,0,0,0,0,0|2,0,1]=4 3 B6R0.1 CCC[C@H](N)CF AC7092 [1,0,0,0,0,0|2,0,1]=4 4 B6R0.1 CC[C@H](N)CCO AT14304 [1,0,0,0,0,0|2,0,1]=4 5 B6R0.1 CC[C@H](N)CCO AT22343 [1,0,0,0,0,0|2,0,1]=4 6 B6R0.1 CC[C@H](N)CCO AT22346 [1,0,0,0,0,0|2,0,1]=4 7 B6R0.1 COCC(=O)CBr AT12825 [1,0,0,0,0,0|2,0,0]=3 8 B6R0.1 NCCC(=O)NO AT14832 [1,0,0,0,0,0|3,0,0]=4 9 B6R0.6 COCOCCN AC9200 [1,0,0,0,0,0|3,0,0]=4 10 B6R0.6 Cl[13CH2][13CH2]N[13CH2][13CH2]Cl AT23538 [1,0,0,0,0,0|3,0,0]=4 11 B6R0.6 NCCOCCS AT12749 [1,0,0,0,0,0|3,0,0]=4 12 B8R0.1 CCCC[C@H](N)CCO AT14318 [0,1,0,0,0,0|2,0,1]=4 13 B8R0.1 CCOC(=O)\C=C\CO AT14907 [0,1,0,0,0,0|1,0,2]=4 14 B8R0.1 N#CCC(=O)OCCN D76753 [0,1,0,0,0,0|2,0,1]=4 15 B8R0.1 N#CCC(=O)OCCN D76754 [0,1,0,0,0,0|2,0,1]=4 16 B8R0.1 NOCC(=O)NCCO AT10370 [0,1,0,0,0,0|3,0,0]=4 17 B8R0.3 C=C(CF)C(=O)OCC C91938 [0,1,0,0,0,0|2,0,1]=4 18 B8R0.5 CC(C)C[C@@H](N)CCO AT14312 [0,1,0,0,0,0|2,0,1]=4 19 B8R1.4 C[C@@H]1CNC[C@@H](O)C1 AT13826 [0,0,0,1,0,0|1,0,2]=4 20 B8R1.4 C[C@H]1CC(=O)CCO1 P11762 [0,0,0,1,0,0|1,0,0]=2 21 B8R1.4 C[C@H]1CCC[C@H](N)C1 94624 [0,0,0,1,0,0|1,0,1]=3 22 B8R1.4 C[C@H]1C[C@@H](N)CCO1 D79497 [0,0,0,1,0,0|2,0,1]=4 23 B8R1.4 N[C@@H]1CCC[C@H](F)C1 P18319 [0,0,0,1,0,0|2,0,1]=4 24 B8R1.4 N[C@@H]1CCC[C@H](O)C1 W10001 [0,0,0,1,0,0|1,0,2]=4 25 B8R1.4 N[C@H]1CCC[C@H](O)C1 W10002 [0,0,0,1,0,0|1,0,2]=4 26 B8R1.8 BrCC[C@H]1CCCN1 C77427 [0,0,0,1,0,0|2,0,1]=4 27 B8R1.8 NCC[C@H]1CCCO1 AT11472 [0,0,0,1,0,0|1,0,2]=4 28 B8R1.11 CC[C@@H]1NCCC1=O AT25614 [0,0,0,1,0,0|1,0,0]=2 29 B8R1.11 CN[C@H]1CCNC1=O AT19094 [0,0,0,1,0,0|2,0,0]=3 30 B8R1.11 N[C@H]1CCC[C@@H]1CO AT21376 [0,0,0,1,0,0|2,0,1]=4 31 B8R1.11 N[C@H]1CCC[C@@H]1CO AT21377 [0,0,0,1,0,0|2,0,1]=4 32 B8R1.11 O=C1CCCN1CO D86008 [0,0,0,1,0,0|2,0,0]=3 33 B8R1.11 OC[C@H]1CCC[C@@H]1F 73086 [0,0,0,1,0,0|2,0,1]=4 34 B8R1.18 CC1=NC(C)C(C)S1 AT23987 [0,0,0,1,0,0|3,0,0]=4 35 B8R1.18 C[C@@H]1NC(=O)CC1=O D72747 [0,0,0,1,0,0|2,0,1]=4 36 B8R1.18 C[C@@H]1NC(=O)C[C@@H]1O C90246 [0,0,0,1,0,0|2,0,0]=3 37 B8R1.22 F[C@H]1CCCCNC1 72488 [0,0,0,1,0,0|2,0,1]=4 38 B8R1.22 F[C@H]1CCCCNC1 AT25232 [0,0,0,1,0,0|2,0,1]=4 39 B8R1.22 F[C@H]1CCCCNC1 AT25234 [0,0,0,1,0,0|2,0,1]=4 40 B8R1.22 O[C@H]1CCCCNC1 AT25228 [0,0,0,1,0,0|1,0,2]=4 41 B8R1.22 O[C@H]1CCCCNC1 AT25231 [0,0,0,1,0,0|1,0,2]=4 42 B8R1.22 O[C@H]1CCCNCC1 AT25235 [0,0,0,1,0,0|1,0,2]=4 43 B8R1.22 O[C@H]1CCCNCC1 AT25242 [0,0,0,1,0,0|1,0,2]=4 44 B8R1.22 SC1CCCCCC1 D76599 [0,0,0,1,0,0|0,1,1]=3 45 B8R1.37 N[C@@H](CCO)C1CC1 F53372 [0,0,0,1,0,0|2,0,1]=4 46 B8R1.37 N[C@@H](CCO)C1CC1 F53459 [0,0,0,1,0,0|2,0,1]=4 47 B8R1.37 N[C@@H](CCO)C1CC1 F53754 [0,0,0,1,0,0|2,0,1]=4 48 B8R1.37 O=C(OCCl)C1CC1 D85989 [0,0,0,1,0,0|2,0,0]=3 49 B8R1.66 NCCC1(N)CCC1 89659 [0,0,0,1,0,0|2,0,1]=4 50 B8R1.66 NCCC1(O)CCC1 AT11470 [0,0,0,1,0,0|1,0,2]=4 51 B5R0.1 C[S@](=O)CCN AT24515 [2,0,0,0,0,0|2,0,0]=4 52 B5R0.2 CCNCCS AT25561 [2,0,0,0,0,0|2,0,0]=4 53 B5R0.2 CNCCCF AT22549 [2,0,0,0,0,0|2,0,0]=4 54 B5R0.2 NCCCCF D75976 [2,0,0,0,0,0|2,0,0]=4 55 B5R0.2 NCCCCS AT25915 [2,0,0,0,0,0|2,0,0]=4 56 B5R0.3 O=C(CO)CBr AC6051 [2,0,0,0,0,0|2,0,0]=4 57 B7R0.3 CCONC(=O)CO AT24923 [1,1,0,0,0,0|2,0,0]=4 58 B7R0.3 C\C=C(/C)CCCC T72329 [1,1,0,0,0,0|1,0,1]=4 59 B7R0.3 O=C(CO)NCCO D86391 [1,1,0,0,0,0|2,0,0]=4 60 B7R0.10 COC(=O)[C@@H](F)CN 94838 [1,1,0,0,0,0|2,0,0]=4 61 B7R0.10 COC(=O)[C@@H](F)CN AT15554 [1,1,0,0,0,0|2,0,0]=4 62 B7R0.10 COC(=O)[C@@H](N)CF AT23056 [1,1,0,0,0,0|2,0,0]=4 63 B7R0.1 CCCNNCCC D79943 [1,1,0,0,0,0|1,0,0]=3 64 B7R0.1 NCCCNCCS W12622 [1,1,0,0,0,0|2,0,0]=4 65 B7R0.1 NCCC\C=C\CO AT22200 [1,1,0,0,0,0|1,0,1]=4 66 B9R0.34 CCOC(=O)CC(=O)CO D75487 [0,2,0,0,0,0|1,0,1]=4 67 B9R0.34 CCOC(=O)C[C@H](C)CI AT23325 [0,2,0,0,0,0|1,0,0]=3 68 B9R0.34 CCOC(=O)C[C@H](N)CF AT24446 [0,2,0,0,0,0|1,0,0]=3 69 B9R0.34 CCOC(=O)C[C@H](O)CO C11381 [0,2,0,0,0,0|1,0,0]=3 70 B9R0.44 CCOC(=O)CC(C)(C)F AT22077 [0,2,0,0,0,0|1,0,0]=3 71 B7R1.1 CC[C@H]1CCCN1 RB4030 [1,0,0,1,0,0|1,0,1]=4 72 B7R1.2 C[C@H]1CC(=O)CN1 AT25616 [1,0,0,1,0,0|1,0,0]=3 73 B7R1.2 C[C@H]1CC(=O)CN1 AT25617 [1,0,0,1,0,0|1,0,0]=3 74 B7R1.2 C[C@H]1CC(=O)CN1 AT25618 [1,0,0,1,0,0|1,0,0]=3 75 B7R1.2 C[C@H]1CC(=O)CN1 C92326 [1,0,0,1,0,0|1,0,0]=3 76 B7R1.2 C[C@H]1CC(=O)CN1 C92327 [1,0,0,1,0,0|1,0,0]=3 77 B7R1.2 N[C@@H]1CNC(=O)C1 D72849 [1,0,0,1,0,0|2,0,0]=4 78 B7R1.3 C=C1CCNCC1 D77655 [1,0,0,1,0,0|2,0,0]=4 79 B7R1.4 C[C@@H]1NCCC1=O AT25613 [1,0,0,1,0,0|1,0,0]=3 80 B7R1.4 C[C@H]1CCNC1=O D72756 [1,0,0,1,0,0|1,0,0]=3 81 B7R1.4 C[C@H]1CONC1=O D73580 [1,0,0,1,0,0|2,0,0]=4 82 B7R1.22 COC(=O)[C@@H]1CN1 63808 [1,0,0,1,0,0|2,0,0]=4 83 B7R1.22 COC(=O)[C@@H]1CN1 63810 [1,0,0,1,0,0|2,0,0]=4 84 B7R1.22 O=CC(=O)C1CC1 D74797 [1,0,0,1,0,0|1,0,1]=4 85 B7R1.7 OCCOC1CC1 AT11518 [1,0,0,1,0,0|2,0,0]=4 86 B9R1.2 CC[C@H]1CCNC(=O)C1 AC8855 [0,1,0,1,0,0|1,0,0]=3 87 B9R1.2 CN[C@H]1CCCN(C)C1 D72293 [0,1,0,1,0,0|2,0,0]=4 88 B9R1.2 CN[C@H]1CCCN(C)C1 D76621 [0,1,0,1,0,0|2,0,0]=4 89 B9R1.2 CO[C@H]1CCC[C@H](O)C1 P18694 [0,1,0,1,0,0|0,0,2]=4 90 B9R1.2 NC[C@H]1CCCC(=O)N1 F20761 [0,1,0,1,0,0|1,0,0]=3 91 B9R1.2 O=C1CCC[C@H](CO)N1 C14538 [0,1,0,1,0,0|1,0,0]=3 92 B9R1.2 O=C1CCC[C@H](CO)N1 P11606 [0,1,0,1,0,0|1,0,0]=3 93 B9R1.2 O=C1CCO[C@@H](CO)C1 C91884 [0,1,0,1,0,0|1,0,0]=3 94 B9R1.2 O=C1COC[C@H](CO)N1 AT10103 [0,1,0,1,0,0|2,0,0]=4 95 B9R1.2 O=C1C[C@@H](CBr)CCN1 AC8741 [0,1,0,1,0,0|1,0,0]=3 96 B9R1.12 COCC[C@H]1CCCN1 37988 [0,1,0,1,0,0|1,0,1]=4 97 B9R1.15 CO[C@H]1COCCC1=O D75195 [0,1,0,1,0,0|1,0,0]=3 98 B9R1.15 O=C1CCCC[C@@H]1CO 62260 [0,1,0,1,0,0|1,0,0]=3 99 B9R1.22 CCN1C[C@@H](O)CC1=O AT19120 [0,1,0,1,0,0|1,0,0]=3 100 B9R1.22 CC[C@@H]1NC(=O)CC1=O D72818 [0,1,0,1,0,0|1,0,1]=4 101 B9R1.22 O=C1C[C@H](O)[C@@H](CO)O1 81440 [0,1,0,1,0,0|2,0,0]=4 102 B9R1.33 CCN[C@H]1CCNC1=O AT19099 [0,1,0,1,0,0|1,0,0]=3 103 B9R1.33 CN1CCC[C@@H]1CCN D96505 [0,1,0,1,0,0|2,0,0]=4 104 B9R1.33 CN1CCC[C@@H]1CCN O10200 [0,1,0,1,0,0|2,0,0]=4 105 B9R1.33 CNC[C@H]1CCCN1C D76214 [0,1,0,1,0,0|2,0,0]=4 106 B9R1.33 NCC[C@H]1CCNC1=O AT19079 [0,1,0,1,0,0|1,0,0]=3 107 B9R1.33 O=C1NCCN1CCBr AC9134 [0,1,0,1,0,0|2,0,0]=4 108 B9R1.48 C[C@H]1CC(=O)NCCN1 12217 [0,1,0,1,0,0|1,0,0]=3 109 B9R1.48 C[C@H]1CC(=O)NCCN1 92001 [0,1,0,1,0,0|1,0,0]=3 110 B9R1.48 N[C@H]1CCCNC(=O)C1 F19647 [0,1,0,1,0,0|1,0,0]=3 111 B9R1.69 O=C1C[C@@H](O)[C@@H](O)CN1 81441 [0,1,0,1,0,0|2,0,0]=4 112 B9R1.75 CCNC(=O)NC1CC1 AT23682 [0,1,0,1,0,0|1,0,0]=3 113 B9R1.75 CCOC(=O)C[C@H]1CO1 A11336 [0,1,0,1,0,0|1,0,0]=3 114 B9R1.134 CCC[N+]1(C)CCCC1 Y14707 [0,1,0,1,0,0|2,0,0]=4 115 B9R1.183 CCOC(=O)C1CC1O 92030 [0,1,0,1,0,0|1,0,0]=3 116 B9R1.5 N[C@H]1COCCNC1=O 57966 [0,1,0,1,0,0|2,0,0]=4 117 B9R1.5 O[C@H]1CCCCC[C@@H]1O D88147 [0,1,0,1,0,0|0,0,2]=4 118 B9R1.37 C[C@H]1CC(=O)C(=O)N1C AT26323 [0,1,0,1,0,0|1,0,1]=4 119 B9R1.132 CCN1CC[C@H](N)C1=O AT19096 [0,1,0,1,0,0|1,0,0]=3 120 B9R1.132 CN1CC[C@H](CBr)C1=O C77450 [0,1,0,1,0,0|2,0,0]=4 121 B9R1.132 CN1CC[C@H](CN)C1=O AT19081 [0,1,0,1,0,0|2,0,0]=4 122 B9R1.132 CN[C@H]1CCN(C)C1=O AT19098 [0,1,0,1,0,0|2,0,0]=4 123 B9R1.202 C[C@]1(CN)CCNC1=O AT19082 [0,1,0,1,0,0|2,0,0]=4 124 B9R1.13 C[C@H](O)CN1CCCC1 AT24867 [0,1,0,1,0,0|2,0,0]=4 125 B9R1.34 CC1=C[C@@H](C)CC(=O)C1 AC6518 [0,1,0,1,0,0|0,0,1]=3 126 B9R1.34 CC1CC(N)CC(C)N1 D86047 [0,1,0,1,0,0|1,0,1]=4 127 B9R1.34 CC1CC(N)CC(C)S1 89935 [0,1,0,1,0,0|1,0,1]=4 128 B9R1.34 CC1CC(N)CC(C)S1 C93279 [0,1,0,1,0,0|1,0,1]=4 129 B9R1.34 C[C@H]1CC(=O)C[C@H](C)O1 F31011 [0,1,0,1,0,0|0,0,0]=2 130 B9R1.34 O=C1CC(=O)CC(O)C1 57817 [0,1,0,1,0,0|1,0,1]=4 131 B9R1.41 CC(O)C1CCCN1C AT23389 [0,1,0,1,0,0|2,0,0]=4 132 B9R1.41 C[C@@H](O)[C@@H]1CCCN1C AT23383 [0,1,0,1,0,0|2,0,0]=4 133 B9R1.41 C[C@@H](O)[C@@H]1CCCN1C AT23388 [0,1,0,1,0,0|2,0,0]=4 134 B9R1.41 C[C@H](O)[C@@H]1CCCN1C AT23387 [0,1,0,1,0,0|2,0,0]=4 135 B9R1.66 C[C@H]1CS(=O)(=O)CCN1 AT10762 [0,1,0,1,0,0|2,0,0]=4 136 B9R2.21 O=C1CC2CC2CN1 P19558 [0,0,0,2,0,0|1,0,0]=3 137 B9R2.39 N[C@H]1C[C@H]2CC[C@@H]1C2 AT24376 [0,0,0,2,0,0|1,0,1]=4 138 B9R2.39 N[C@H]1C[C@H]2CC[C@@H]1C2 AT24385 [0,0,0,2,0,0|1,0,1]=4 139 B9R2.39 O=C1CC2CC1CO2 P13996 [0,0,0,2,0,0|1,0,0]=3 140 B9R2.39 O=C1CC2CCC1N2 F13933 [0,0,0,2,0,0|1,0,0]=3 141 B9R2.39 O=C1CN2CCC1C2 D76671 [0,0,0,2,0,0|1,0,0]=3 142 B9R2.39 O=S1C[C@@H]2C[C@H]1CN2 E72948 [0,0,0,2,0,0|2,0,0]=4 143 B9R2.7 O=C1CC2CNCC12 D72828 [0,0,0,2,0,0|1,0,0]=3 144 B9R2.7 O=C1C[C@@H]2COC[C@H]12 AT20274 [0,0,0,2,0,0|1,0,0]=3 145 B9R2.3 C1C[C@H]2CCN[C@H]2C1 E73393 [0,0,0,2,0,0|1,0,1]=4 146 B9R2.173 C1CNC2(C1)CCC2 E73324 [0,0,0,2,0,0|1,0,1]=4 147 B9R2.173 C1CNC2(C1)CCC2 P11719 [0,0,0,2,0,0|1,0,1]=4 148 B9R2.5 N[C@H]1CCCC12CC2 E73111 [0,0,0,2,0,0|1,0,1]=4 149 B9R2.5 N[C@H]1CCCC12CC2 F30522 [0,0,0,2,0,0|1,0,1]=4 150 B9R2.5 O[C@H]1CCCC12CC2 92335 [0,0,0,2,0,0|0,0,2]=4 151 B9R2.20 O=C1NC[C@@H]2CC[C@H]12 AT20240 [0,0,0,2,0,0|1,0,0]=3 152 B9R2.20 O=C1OC[C@@H]2CC[C@H]12 E72542 [0,0,0,2,0,0|1,0,0]=3 153 B9R2.123 NC1C2CCCCC12 AT23098 [0,0,0,2,0,0|1,0,1]=4 154 B9R2.33 NC1CC2CCC2C1 51188 [0,0,0,2,0,0|1,0,1]=4 155 B9R2.33 O=C1CC2CCC2C1 E72896 [0,0,0,2,0,0|0,0,0]=2