0 B7R0.3 CCONC(=O)CO AT24923 [0,0,0,0,0,0|3,0,0]=3 1 B7R0.3 COC(=O)C#CCN AT20732 [0,0,0,0,0,0|2,0,2]=4 2 B7R0.3 C[C@H](CN)CCCO AC9867 [0,0,0,0,0,0|3,0,1]=4 3 B7R0.3 C\C=C(/C)CCCC T72329 [0,0,0,0,0,0|1,0,1]=2 4 B7R0.3 O=C(CO)NCCO D86391 [0,0,0,0,0,0|3,0,0]=3 5 B6R0.1 CCC[C@H](N)CF AC5307 [1,0,0,0,0,0|2,0,1]=4 6 B6R0.1 CCC[C@H](N)CF AC7092 [1,0,0,0,0,0|2,0,1]=4 7 B6R0.1 CC[C@H](N)CCO AT14304 [1,0,0,0,0,0|2,0,1]=4 8 B6R0.1 CC[C@H](N)CCO AT22343 [1,0,0,0,0,0|2,0,1]=4 9 B6R0.1 CC[C@H](N)CCO AT22346 [1,0,0,0,0,0|2,0,1]=4 10 B6R0.1 COCC(=O)CBr AT12825 [1,0,0,0,0,0|2,0,0]=3 11 B6R0.1 NCCC(=O)NO AT14832 [1,0,0,0,0,0|3,0,0]=4 12 B6R0.4 CC(=O)CCCN C77428 [1,0,0,0,0,0|1,0,0]=2 13 B8R0.1 CCCC[C@H](N)CCO AT14318 [0,1,0,0,0,0|1,0,1]=3 14 B8R0.1 CCOC(=O)\C=C\CO AT14907 [0,1,0,0,0,0|1,0,2]=4 15 B8R0.1 N#CCC(=O)OCCN D76753 [0,1,0,0,0,0|2,0,1]=4 16 B8R0.1 N#CCC(=O)OCCN D76754 [0,1,0,0,0,0|2,0,1]=4 17 B8R0.1 NOCC(=O)NCCO AT10370 [0,1,0,0,0,0|3,0,0]=4 18 B8R0.3 C#CC[C@H](N)C(=O)OC AT23617 [0,1,0,0,0,0|1,0,2]=4 19 B8R0.3 COC(=O)[C@@H](C)CCBr AT23330 [0,1,0,0,0,0|2,0,0]=3 20 B8R0.6 CCCCOC(=O)C=O 39366 [0,1,0,0,0,0|1,0,1]=3 21 B8R0.6 COC(=O)C#CCCO AT15754 [0,1,0,0,0,0|1,0,2]=4 22 B8R0.8 CCCCC(=O)C(=O)[O-] D88060 [0,1,0,0,0,0|1,0,1]=3 23 B8R0.9 COC(=O)CC[C@H](C)Br AT23331 [0,1,0,0,0,0|1,0,0]=2 24 B8R0.9 COC(=O)\C=C\C(C)C D77192 [0,1,0,0,0,0|1,0,2]=4 25 B8R0.19 CCC(C)CC(C)CC T71466 [0,1,0,0,0,0|1,0,1]=3 26 B8R0.19 COC(=O)CC(=O)CF AT24447 [0,1,0,0,0,0|2,0,1]=4 27 B8R0.19 COC(=O)C[C@H](C)CBr AT23326 [0,1,0,0,0,0|2,0,0]=3 28 B8R0.19 COC(=O)C[C@H](C)CBr AT23327 [0,1,0,0,0,0|2,0,0]=3 29 B8R0.25 CCCC[C@](C)(N)CO AT16769 [0,1,0,0,0,0|2,0,1]=4 30 B8R0.25 CCCC[C@](C)(N)CO AT16779 [0,1,0,0,0,0|2,0,1]=4 31 B8R1.1 CO[C@@H]1C=CC(=O)C1 AT12708 [0,0,0,1,0,0|1,0,2]=4 32 B8R1.1 CO[C@@H]1CNC(=O)C1 AT19116 [0,0,0,1,0,0|2,0,0]=3 33 B8R1.1 C[C@@H]1CC[C@H](CO)N1 W10038 [0,0,0,1,0,0|2,0,1]=4 34 B8R1.1 N#C[C@@H]1CCC(=O)N1 D72817 [0,0,0,1,0,0|2,0,1]=4 35 B8R1.1 NCC1CCC(O)C1 D76686 [0,0,0,1,0,0|1,0,2]=4 36 B8R1.1 NC[C@@H]1CNC(=O)C1 33527 [0,0,0,1,0,0|2,0,0]=3 37 B8R1.1 NC[C@H]1CNC(=O)O1 P14474 [0,0,0,1,0,0|3,0,0]=4 38 B8R1.1 NC[C@H]1COC(=O)N1 P14076 [0,0,0,1,0,0|3,0,0]=4 39 B8R1.1 O=C1CC[C@H](CBr)N1 W15281 [0,0,0,1,0,0|2,0,0]=3 40 B8R1.1 O=C1CC[C@H](CCl)C1 AT22684 [0,0,0,1,0,0|1,0,0]=2 41 B8R1.1 O=C1CC[C@H](CI)C1 AT22686 [0,0,0,1,0,0|1,0,0]=2 42 B8R1.1 O=C1C[C@H](CI)CN1 E72920 [0,0,0,1,0,0|2,0,0]=3 43 B8R1.1 OCC1CCC(O)C1 D76829 [0,0,0,1,0,0|1,0,2]=4 44 B8R1.1 OC[C@@H]1CC[C@H](F)C1 AT22253 [0,0,0,1,0,0|2,0,1]=4 45 B8R1.1 OC[C@H]1CC[C@H](F)C1 AT22254 [0,0,0,1,0,0|2,0,1]=4 46 B8R1.2 CC[C@H]1CCCCN1 I11451 [0,0,0,1,0,0|1,0,1]=3 47 B8R1.2 CC[C@H]1CNCCN1 77623 [0,0,0,1,0,0|2,0,1]=4 48 B8R1.2 FC[C@H]1CCCCN1 P14250 [0,0,0,1,0,0|2,0,1]=4 49 B8R1.2 OCC1=CCCOC1 AT26645 [0,0,0,1,0,0|3,0,0]=4 50 B8R1.3 C=C1CCC(O)CC1 AT15311 [0,0,0,1,0,0|2,0,0]=3 51 B8R1.3 CN1C=CC(=O)CC1 D73438 [0,0,0,1,0,0|1,0,2]=4 52 B8R1.3 C[C@@H]1CC[C@H](O)CN1 W10035 [0,0,0,1,0,0|1,0,2]=4 53 B8R1.3 C[C@H]1CC[C@H](C)CC1 F10496 [0,0,0,1,0,0|1,0,1]=3 54 B8R1.3 C[C@H]1CC[C@H](O)CN1 73247 [0,0,0,1,0,0|1,0,2]=4 55 B8R1.3 C[C@H]1CC[C@H](O)CN1 W10034 [0,0,0,1,0,0|1,0,2]=4 56 B8R1.3 C[C@H]1CC[C@H](O)CN1 W11753 [0,0,0,1,0,0|1,0,2]=4 57 B8R1.3 O=C1CC[C@H](O)CO1 AT23772 [0,0,0,1,0,0|2,0,0]=3 58 B8R1.3 O=C1CC[C@H](O)CO1 AT23773 [0,0,0,1,0,0|2,0,0]=3 59 B8R1.3 OC1CCC(S)CC1 D76598 [0,0,0,1,0,0|1,0,2]=4 60 B8R1.5 CC1CSCCC1N 70873 [0,0,0,1,0,0|2,0,1]=4 61 B8R1.5 C[C@@H]1CCCC[C@@H]1N FD10501 [0,0,0,1,0,0|1,0,1]=3 62 B8R1.5 C[C@@H]1CCNC[C@@H]1F AT23522 [0,0,0,1,0,0|2,0,1]=4 63 B8R1.5 C[C@@H]1CCNC[C@@H]1O P13523 [0,0,0,1,0,0|1,0,2]=4 64 B8R1.5 C[C@@H]1COCC[C@@H]1N CS2010 [0,0,0,1,0,0|2,0,1]=4 65 B8R1.5 C[C@@H]1COCC[C@@H]1N D75982 [0,0,0,1,0,0|2,0,1]=4 66 B8R1.5 C[C@H]1COCC[C@@H]1N P13195 [0,0,0,1,0,0|2,0,1]=4 67 B8R1.5 NC1CCCCC1F 72734 [0,0,0,1,0,0|2,0,1]=4 68 B8R1.5 N[C@H]1COCCC1=O E73090 [0,0,0,1,0,0|2,0,0]=3 69 B8R1.5 O=C1NCCC[C@@H]1O AT24626 [0,0,0,1,0,0|2,0,0]=3 70 B8R1.5 O=C1NCCC[C@@H]1O D77061 [0,0,0,1,0,0|2,0,0]=3 71 B8R1.10 OCCCC1CCC1 F52481 [0,0,0,1,0,0|2,0,1]=4 72 B8R1.13 COCC1CCC1N AT20685 [0,0,0,1,0,0|2,0,1]=4 73 B8R1.22 F[C@H]1CCCCNC1 72488 [0,0,0,1,0,0|2,0,1]=4 74 B8R1.22 F[C@H]1CCCCNC1 AT25232 [0,0,0,1,0,0|2,0,1]=4 75 B8R1.22 F[C@H]1CCCCNC1 AT25234 [0,0,0,1,0,0|2,0,1]=4 76 B8R1.22 O[C@H]1CCCCNC1 AT25228 [0,0,0,1,0,0|1,0,2]=4 77 B8R1.22 O[C@H]1CCCCNC1 AT25231 [0,0,0,1,0,0|1,0,2]=4 78 B8R1.22 O[C@H]1CCCNCC1 AT25235 [0,0,0,1,0,0|1,0,2]=4 79 B8R1.22 O[C@H]1CCCNCC1 AT25242 [0,0,0,1,0,0|1,0,2]=4 80 B8R1.22 SC1CCCCCC1 D76599 [0,0,0,1,0,0|0,1,1]=3 81 B8R1.38 COC(=O)C1=CCC1 P16819 [0,0,0,1,0,0|1,0,2]=4 82 B8R1.38 N[C@@H](CO)C1CCC1 N11335 [0,0,0,1,0,0|2,0,1]=4 83 B8R1.40 COC(=O)C=C1CC1 AT21192 [0,0,0,1,0,0|1,0,2]=4 84 B8R1.40 NCC(=O)NC1CC1 D76973 [0,0,0,1,0,0|2,0,0]=3 85 B8R1.41 OCCCC1(O)CC1 AT24657 [0,0,0,1,0,0|1,0,2]=4 86 B8R1.50 CC1CCC(C)C1N N13148 [0,0,0,1,0,0|2,0,1]=4 87 B8R1.50 CN1CCC(=O)C1=O C77472 [0,0,0,1,0,0|2,0,1]=4 88 B8R1.50 C[C@@H]1CNC(=O)[C@H]1N AT23635 [0,0,0,1,0,0|2,0,0]=3 89 B8R1.50 N[C@@H]1C(=O)NC[C@@H]1O AT23609 [0,0,0,1,0,0|3,0,0]=4 90 B8R1.50 N[C@@H]1C(=O)NC[C@@H]1O AT26183 [0,0,0,1,0,0|3,0,0]=4 91 B8R1.50 N[C@@H]1C(=O)NC[C@H]1O AT23610 [0,0,0,1,0,0|3,0,0]=4 92 B8R1.50 N[C@@H]1C(=O)NC[C@H]1O AT26184 [0,0,0,1,0,0|3,0,0]=4 93 B8R1.50 O=C1OC[C@H](O)[C@@H]1Br AC9565 [0,0,0,1,0,0|3,0,0]=4 94 B8R1.52 CC1(CBr)CCCC1 57443 [0,0,0,1,0,0|2,0,1]=4 95 B8R1.52 CC[C@@]1(C)CCNC1 AT25604 [0,0,0,1,0,0|2,0,1]=4 96 B8R1.52 CC[C@]1(F)CCNC1 P14031 [0,0,0,1,0,0|2,0,1]=4 97 B8R1.52 CC[C@]1(O)CCOC1 69115 [0,0,0,1,0,0|1,0,2]=4 98 B5R0.1 C[S@](=O)CCN AT24515 [2,0,0,0,0,0|2,0,0]=4 99 B5R0.2 CCNCCS AT25561 [2,0,0,0,0,0|2,0,0]=4 100 B5R0.2 CCOCC=O AT18655 [2,0,0,0,0,0|1,0,0]=3 101 B5R0.2 CNCCCF AT22549 [2,0,0,0,0,0|2,0,0]=4 102 B5R0.2 NCCCCF D75976 [2,0,0,0,0,0|2,0,0]=4 103 B5R0.2 NCCCCS AT25915 [2,0,0,0,0,0|2,0,0]=4 104 B5R0.2 O=CCCCBr AT24507 [2,0,0,0,0,0|1,0,0]=3 105 B5R0.3 O=C(CO)CBr AC6051 [2,0,0,0,0,0|2,0,0]=4 106 B7R0.7 CCC[C@H](O)COC D77523 [1,1,0,0,0,0|0,0,2]=4 107 B7R0.10 COC(=O)[C@@H](F)CN 94838 [1,1,0,0,0,0|2,0,0]=4 108 B7R0.10 COC(=O)[C@@H](F)CN AT15554 [1,1,0,0,0,0|2,0,0]=4 109 B7R0.10 COC(=O)[C@@H](N)CF AT23056 [1,1,0,0,0,0|2,0,0]=4 110 B7R0.4 CCCCC[13C](=O)O 41454 [1,1,0,0,0,0|1,0,0]=3 111 B7R0.4 C[S@](=O)CCCCN AT23964 [1,1,0,0,0,0|1,0,0]=3 112 B7R0.4 NCCCCC(N)=O D77059 [1,1,0,0,0,0|1,0,0]=3 113 B7R0.4 O=C(O)COCCBr C70239 [1,1,0,0,0,0|2,0,0]=4 114 B7R0.4 O=C(O)COCCF AT25496 [1,1,0,0,0,0|2,0,0]=4 115 B7R0.6 C[C@H](N)CCC(=O)O D75535 [1,1,0,0,0,0|1,0,0]=3 116 B7R0.6 O=C(O)CCC(F)F P19183 [1,1,0,0,0,0|2,0,0]=4 117 B7R0.8 CP(C)(=O)CCCN AT13346 [1,1,0,0,0,0|2,0,0]=4 118 B7R0.8 CP(C)(=O)CCCN AT13377 [1,1,0,0,0,0|2,0,0]=4 119 B7R0.1 CCCNNCCC D79943 [1,1,0,0,0,0|1,0,1]=4 120 B7R0.1 NCCCNCCS W12622 [1,1,0,0,0,0|2,0,0]=4 121 B7R0.1 NCCC\C=C\CO AT22200 [1,1,0,0,0,0|1,0,1]=4 122 B9R0.8 C=CCC[C@H](N)C(=O)OC AT15753 [0,2,0,0,0,0|1,0,1]=4 123 B9R0.8 C=CCC[C@H](N)C(=O)OC AT15756 [0,2,0,0,0,0|1,0,1]=4 124 B9R0.34 CCOC(=O)CC(=O)CO D75487 [0,2,0,0,0,0|1,0,1]=4 125 B9R0.34 CCOC(=O)C[C@H](C)CI AT23325 [0,2,0,0,0,0|1,0,0]=3 126 B9R0.34 CCOC(=O)C[C@H](N)CF AT24446 [0,2,0,0,0,0|1,0,0]=3 127 B9R0.34 CCOC(=O)C[C@H](O)CO C11381 [0,2,0,0,0,0|1,0,0]=3 128 B9R0.60 COC(=O)C(C)(C)CCBr AT23329 [0,2,0,0,0,0|2,0,0]=4 129 B9R0.46 C#CCCCCC(=O)OC AT21754 [0,2,0,0,0,0|1,0,0]=3 130 B9R0.46 COC(=O)CCOCCO C70644 [0,2,0,0,0,0|1,0,0]=3 131 B9R0.46 COC(=O)CSCCCO AT19328 [0,2,0,0,0,0|1,0,0]=3 132 B9R0.21 CCC(=O)CCC(F)(F)F E73197 [0,2,0,0,0,0|1,0,0]=3 133 B7R1.1 CC[C@H]1CCCN1 RB4030 [1,0,0,1,0,0|1,0,1]=4 134 B7R1.2 C[C@H]1CC(=O)CN1 AT25616 [1,0,0,1,0,0|1,0,0]=3 135 B7R1.2 C[C@H]1CC(=O)CN1 AT25617 [1,0,0,1,0,0|1,0,0]=3 136 B7R1.2 C[C@H]1CC(=O)CN1 AT25618 [1,0,0,1,0,0|1,0,0]=3 137 B7R1.2 C[C@H]1CC(=O)CN1 C92326 [1,0,0,1,0,0|1,0,0]=3 138 B7R1.2 C[C@H]1CC(=O)CN1 C92327 [1,0,0,1,0,0|1,0,0]=3 139 B7R1.2 N[C@@H]1CNC(=O)C1 D72849 [1,0,0,1,0,0|2,0,0]=4 140 B7R1.3 C=C1CCNCC1 D77655 [1,0,0,1,0,0|2,0,0]=4 141 B7R1.4 C[C@@H]1NCCC1=O AT25613 [1,0,0,1,0,0|1,0,0]=3 142 B7R1.4 C[C@H]1CCNC1=O D72756 [1,0,0,1,0,0|1,0,0]=3 143 B7R1.4 C[C@H]1CONC1=O D73580 [1,0,0,1,0,0|2,0,0]=4 144 B7R1.22 COC(=O)[C@@H]1CN1 63808 [1,0,0,1,0,0|2,0,0]=4 145 B7R1.22 COC(=O)[C@@H]1CN1 63810 [1,0,0,1,0,0|2,0,0]=4 146 B7R1.22 O=CC(=O)C1CC1 D74797 [1,0,0,1,0,0|1,0,1]=4 147 B7R1.12 C[C@H]1C[C@@H]1C(=O)O AT12316 [1,0,0,1,0,0|1,0,0]=3 148 B7R1.12 C[C@H]1C[C@@H]1C(=O)O AT12373 [1,0,0,1,0,0|1,0,0]=3 149 B7R1.12 O=C(O)[C@@H]1C[C@@H]1Br E73137 [1,0,0,1,0,0|2,0,0]=4 150 B7R1.12 O=C(O)[C@H]1C[C@@H]1I CS3435 [1,0,0,1,0,0|2,0,0]=4 151 B7R1.18 CC(=O)C1CNC1 C14559 [1,0,0,1,0,0|1,0,0]=3 152 B7R1.18 NC(=O)N1CCC1 D77052 [1,0,0,1,0,0|2,0,0]=4 153 B7R1.18 NC(=O)[C@@H]1CCN1 AT22807 [1,0,0,1,0,0|2,0,0]=4 154 B7R1.18 O=C(Cl)C1COC1 AT24224 [1,0,0,1,0,0|2,0,0]=4 155 B7R1.18 O=[S@](O)C1CCC1 AT20162 [1,0,0,1,0,0|2,0,0]=4 156 B7R1.20 NC(=O)CC1CC1 D72924 [1,0,0,1,0,0|1,0,0]=3 157 B7R1.20 O=C(Cl)OC1CC1 C77415 [1,0,0,1,0,0|2,0,0]=4 158 B9R1.2 CCC1COCC(C)N1 F18880 [0,1,0,1,0,0|1,0,1]=4 159 B9R1.2 CC[C@H]1CCNC(=O)C1 AC8855 [0,1,0,1,0,0|0,0,0]=2 160 B9R1.2 CC[C@H]1COC[C@H](C)N1 F19142 [0,1,0,1,0,0|1,0,1]=4 161 B9R1.2 NC[C@H]1CCCC(=O)N1 F20761 [0,1,0,1,0,0|2,0,0]=4 162 B9R1.2 O=C1CCC[C@H](CO)N1 C14538 [0,1,0,1,0,0|2,0,0]=4 163 B9R1.2 O=C1CCC[C@H](CO)N1 P11606 [0,1,0,1,0,0|2,0,0]=4 164 B9R1.2 O=C1CCO[C@@H](CO)C1 C91884 [0,1,0,1,0,0|1,0,0]=3 165 B9R1.2 O=C1COC[C@H](CO)N1 AT10103 [0,1,0,1,0,0|2,0,0]=4 166 B9R1.2 O=C1C[C@@H](CBr)CCN1 AC8741 [0,1,0,1,0,0|1,0,0]=3 167 B9R1.7 CCC[C@@H]1CNC(=O)C1 D75748 [0,1,0,1,0,0|1,0,0]=3 168 B9R1.7 NCC[C@@H]1CNC(=O)C1 AT19064 [0,1,0,1,0,0|1,0,0]=3 169 B9R1.7 NCC[C@H]1CCC(=O)N1 AT10893 [0,1,0,1,0,0|1,0,0]=3 170 B9R1.7 NCC[C@H]1CCC(=O)N1 AT19049 [0,1,0,1,0,0|1,0,0]=3 171 B9R1.7 NCC[C@H]1CCC(=O)N1 AT19053 [0,1,0,1,0,0|1,0,0]=3 172 B9R1.7 O=C1CC[C@H](CCO)N1 AT18821 [0,1,0,1,0,0|1,0,0]=3 173 B9R1.7 O=C1CC[C@H](CCO)N1 AT18837 [0,1,0,1,0,0|1,0,0]=3 174 B9R1.7 O=C1C[C@H](CCO)CN1 AT19057 [0,1,0,1,0,0|1,0,0]=3 175 B9R1.15 CO[C@H]1COCCC1=O D75195 [0,1,0,1,0,0|1,0,0]=3 176 B9R1.15 C[C@H]1CCCC[C@@H]1NN C92106 [0,1,0,1,0,0|1,0,1]=4 177 B9R1.15 N[C@H]1CCCC[C@@H]1CO AT25975 [0,1,0,1,0,0|1,0,1]=4 178 B9R1.15 N[C@H]1CCCC[C@H]1CO AT26297 [0,1,0,1,0,0|1,0,1]=4 179 B9R1.15 O=C1CCCC[C@@H]1CO 62260 [0,1,0,1,0,0|0,0,0]=2 180 B9R1.22 CC[C@@H]1NC(=O)CC1=O D72818 [0,1,0,1,0,0|1,0,1]=4 181 B9R1.22 O=C1C[C@H](O)[C@@H](CO)O1 81440 [0,1,0,1,0,0|2,0,0]=4 182 B9R1.33 CCN[C@H]1CCNC1=O AT19099 [0,1,0,1,0,0|1,0,0]=3 183 B9R1.33 NCC[C@H]1CCNC1=O AT19079 [0,1,0,1,0,0|1,0,0]=3 184 B9R1.33 O=C1NCCN1CCBr AC9134 [0,1,0,1,0,0|2,0,0]=4 185 B9R1.48 C[C@H]1CC(=O)NCCN1 12217 [0,1,0,1,0,0|2,0,0]=4 186 B9R1.48 C[C@H]1CC(=O)NCCN1 92001 [0,1,0,1,0,0|2,0,0]=4 187 B9R1.48 N[C@H]1CCCNC(=O)C1 F19647 [0,1,0,1,0,0|1,0,0]=3 188 B9R1.69 C[C@H]1CN(C)CCC1=O AT24784 [0,1,0,1,0,0|1,0,0]=3 189 B9R1.69 C[C@H]1CN(C)CCC1=O AT24785 [0,1,0,1,0,0|1,0,0]=3 190 B9R1.69 N[C@H]1C[C@@H](O)CNC1=O AT24178 [0,1,0,1,0,0|2,0,0]=4 191 B9R1.69 O=C1C[C@@H](O)[C@@H](O)CN1 81441 [0,1,0,1,0,0|2,0,0]=4 192 B9R1.73 NCC[C@H](O)C1CCC1 AT26524 [0,1,0,1,0,0|0,0,2]=4 193 B9R1.73 N[C@@H](CCO)C1CCC1 F53573 [0,1,0,1,0,0|1,0,1]=4 194 B9R1.73 N[C@@H](CCO)C1CCC1 F53753 [0,1,0,1,0,0|1,0,1]=4 195 B9R1.75 CCNC(=O)NC1CC1 AT23682 [0,1,0,1,0,0|1,0,0]=3 196 B9R1.75 CCOC(=O)C[C@H]1CO1 A11336 [0,1,0,1,0,0|1,0,0]=3 197 B9R1.134 CCC[N+]1(C)CCCC1 Y14707 [0,1,0,1,0,0|2,0,0]=4 198 B9R1.183 CCOC(=O)C1CC1O 92030 [0,1,0,1,0,0|1,0,0]=3 199 B9R1.3 CN1CCC[C@H](N)C1=O 20396 [0,1,0,1,0,0|1,0,0]=3 200 B9R1.3 CN1CCC[C@H](N)C1=O 20397 [0,1,0,1,0,0|1,0,0]=3 201 B9R1.5 CC1CCNCCC1O 73005 [0,1,0,1,0,0|0,0,2]=4 202 B9R1.5 N[C@H]1COCCNC1=O 57966 [0,1,0,1,0,0|2,0,0]=4 203 B9R1.5 O[C@H]1CCCCC[C@@H]1O D88147 [0,1,0,1,0,0|0,0,2]=4 204 B9R1.11 O=C(CBr)[C@H]1CCOC1 AT13306 [0,1,0,1,0,0|1,0,0]=3 205 B9R1.37 C[C@H]1CC(=O)C(=O)N1C AT26323 [0,1,0,1,0,0|1,0,1]=4 206 B9R1.82 COC(=O)[C@H]1C[C@@H](Br)C1 P14334 [0,1,0,1,0,0|1,0,0]=3 207 B9R1.88 C#C[C@H]1C[C@H]1C(=O)OC E72924 [0,1,0,1,0,0|1,0,1]=4 208 B9R1.88 COC(=O)C1CC1C=O 58312 [0,1,0,1,0,0|1,0,1]=4 209 B9R1.88 COC(=O)[C@H]1C[C@@H]1CO AT23910 [0,1,0,1,0,0|1,0,0]=3 210 B9R1.88 COC(=O)[C@H]1C[C@@H]1CO P20219 [0,1,0,1,0,0|1,0,0]=3 211 B9R1.88 COC(=O)[C@H]1C[C@H]1CO AT23908 [0,1,0,1,0,0|1,0,0]=3 212 B9R1.88 COC(=O)[C@H]1C[C@H]1CO AT23909 [0,1,0,1,0,0|1,0,0]=3 213 B9R1.88 COC(=O)[C@H]1C[C@H]1CO D73972 [0,1,0,1,0,0|1,0,0]=3 214 B9R1.132 CCN1CC[C@H](N)C1=O AT19096 [0,1,0,1,0,0|2,0,0]=4 215 B9R1.132 CN1C(=O)CC[C@@H]1CN F13760 [0,1,0,1,0,0|1,0,0]=3 216 B9R1.132 CN1C(=O)OC[C@@H]1CO C77407 [0,1,0,1,0,0|2,0,0]=4 217 B9R1.186 COC(=O)C1(N)CNC1 28014 [0,1,0,1,0,0|2,0,0]=4 218 B9R1.186 COC(=O)[C@]1(C)CCN1 P14886 [0,1,0,1,0,0|2,0,0]=4 219 B9R1.1 CC[C@@H]1C=CC(=O)CC1 AT12677 [0,1,0,1,0,0|0,0,1]=3 220 B9R1.1 CC[C@H]1CC[C@@H](N)CC1 AT14261 [0,1,0,1,0,0|1,0,1]=4 221 B9R1.1 NC[C@H]1CC[C@H](F)CC1 AT24885 [0,1,0,1,0,0|1,0,1]=4 222 B9R1.1 NC[C@H]1CNC(=O)CO1 AT21307 [0,1,0,1,0,0|2,0,0]=4 223 B9R1.1 NC[C@H]1CNC(=O)CO1 AT21313 [0,1,0,1,0,0|2,0,0]=4 224 B9R1.1 O=C[C@H]1CC[C@H](O)CC1 F53063 [0,1,0,1,0,0|1,0,1]=4 225 B9R1.1 OCC1CCC(F)CC1 AT22097 [0,1,0,1,0,0|1,0,1]=4 226 B9R1.1 OC[C@H]1CC[C@H](F)CC1 AT24883 [0,1,0,1,0,0|1,0,1]=4 227 B9R1.79 CNC(=O)NC1CNC1 AT23003 [0,1,0,1,0,0|2,0,0]=4 228 B9R1.81 COC(=O)[C@@H]1CCC1=O 54675 [0,1,0,1,0,0|1,0,1]=4 229 B9R1.81 COC(=O)[C@@H]1CC[C@@H]1N D72443 [0,1,0,1,0,0|1,0,0]=3 230 B9R1.81 COC(=O)[C@@H]1CC[C@@H]1N D72717 [0,1,0,1,0,0|1,0,0]=3 231 B9R1.81 COC(=O)[C@@H]1CC[C@@H]1N P17882 [0,1,0,1,0,0|1,0,0]=3 232 B9R1.81 COC(=O)[C@H]1CC[C@@H]1N D72718 [0,1,0,1,0,0|1,0,0]=3 233 B9R1.81 COC(=O)[C@H]1CC[C@@H]1N P18452 [0,1,0,1,0,0|1,0,0]=3 234 B9R1.81 COC(=O)[C@H]1CN[C@@H]1C P18147 [0,1,0,1,0,0|1,0,0]=3 235 B9R1.6 C[C@H](N)C1CCCCO1 79890 [0,1,0,1,0,0|0,0,2]=4 236 B9R1.6 C[C@H](N)C1CCCCO1 79892 [0,1,0,1,0,0|0,0,2]=4 237 B9R1.6 C[C@H](N)C1CCCCO1 79893 [0,1,0,1,0,0|0,0,2]=4 238 B9R1.6 C[C@H](O)C1CCCCC1 AT26083 [0,1,0,1,0,0|1,0,1]=4 239 B9R1.23 N[C@H]1C[C@H](CO)NC1=O AT26185 [0,1,0,1,0,0|2,0,0]=4 240 B9R1.23 N[C@H]1C[C@H](CO)NC1=O AT26186 [0,1,0,1,0,0|2,0,0]=4 241 B9R1.35 CC(=O)[C@H]1CCC(=O)C1 F53422 [0,1,0,1,0,0|0,0,1]=3 242 B9R1.35 CC(=O)[C@H]1CCC(=O)C1 F53666 [0,1,0,1,0,0|0,0,1]=3 243 B9R1.35 CC(C)[C@@H]1CCC(=O)N1 D72845 [0,1,0,1,0,0|1,0,0]=3 244 B9R1.35 C[C@@H](F)[C@@H]1COC(=O)N1 AT25014 [0,1,0,1,0,0|2,0,0]=4 245 B9R1.35 O=C1CC[C@@H](C(F)F)N1 AT19171 [0,1,0,1,0,0|2,0,0]=4 246 B9R1.40 CC1(C)C=CCCC1=O P13987 [0,1,0,1,0,0|0,0,2]=4 247 B9R1.40 CC1(C)CCC=CC1=O AC9363 [0,1,0,1,0,0|0,0,2]=4 248 B9R1.40 CC1(C)CNCC[S@@]1=O AT25283 [0,1,0,1,0,0|2,0,0]=4 249 B9R1.40 C[C@H]1CNCCS1(=O)=O AT10755 [0,1,0,1,0,0|2,0,0]=4 250 B9R1.106 CN1CCC(=O)C1(C)C E73144 [0,1,0,1,0,0|1,0,0]=3 251 B9R1.110 C[C@H](Br)C(=O)C1CCC1 AT16883 [0,1,0,1,0,0|0,0,0]=2 252 B9R1.110 C[C@H](Br)C(=O)N1CCC1 W16111 [0,1,0,1,0,0|1,0,0]=3 253 B9R1.10 CN1CCC(C)(N)CC1 C77438 [0,1,0,1,0,0|2,0,0]=4 254 B9R1.10 CN1CCC(C)(N)CC1 D75160 [0,1,0,1,0,0|2,0,0]=4 255 B9R1.10 C[C@]1(O)CC[C@H](O)CC1 P19304 [0,1,0,1,0,0|0,0,2]=4 256 B9R1.10 N=S1(=O)CCC(O)CC1 AT11344 [0,1,0,1,0,0|2,0,0]=4 257 B9R1.10 O=S1(=O)CCC(Br)CC1 AT25832 [0,1,0,1,0,0|2,0,0]=4 258 B9R1.10 O=S1(=O)CCC(I)CC1 95490 [0,1,0,1,0,0|2,0,0]=4 259 B9R1.125 C[C@@]1(CO)CNC(=O)C1 AT19124 [0,1,0,1,0,0|2,0,0]=4 260 B9R2.20 O=C1NC[C@@H]2CC[C@H]12 AT20240 [0,0,0,2,0,0|1,0,0]=3 261 B9R2.20 O=C1OC[C@@H]2CC[C@H]12 E72542 [0,0,0,2,0,0|1,0,0]=3 262 B9R2.33 NC1CC2CCC2C1 51188 [0,0,0,2,0,0|1,0,1]=4 263 B9R2.33 O=C1CC2CCC2C1 E72896 [0,0,0,2,0,0|0,0,0]=2 264 B9R2.39 N[C@H]1C[C@H]2CC[C@@H]1C2 AT24376 [0,0,0,2,0,0|1,0,1]=4 265 B9R2.39 N[C@H]1C[C@H]2CC[C@@H]1C2 AT24385 [0,0,0,2,0,0|1,0,1]=4 266 B9R2.39 O=C1CC2CC1CO2 P13996 [0,0,0,2,0,0|1,0,0]=3 267 B9R2.39 O=C1CC2CCC1N2 F13933 [0,0,0,2,0,0|1,0,0]=3 268 B9R2.39 O=C1CN2CCC1C2 D76671 [0,0,0,2,0,0|1,0,0]=3 269 B9R2.39 O=S1C[C@@H]2C[C@H]1CN2 E72948 [0,0,0,2,0,0|2,0,0]=4 270 B9R2.139 N[C@H]1CCC2(CC2)C1 89909 [0,0,0,2,0,0|1,0,1]=4 271 B9R2.50 C1CNC2CCC2C1 D72868 [0,0,0,2,0,0|1,0,1]=4 272 B9R2.50 C1CN[C@H]2CC[C@H]2C1 AT11646 [0,0,0,2,0,0|1,0,1]=4 273 B9R2.123 NC1C2CCCCC12 AT23098 [0,0,0,2,0,0|1,0,1]=4 274 B9R2.19 N[C@H]1CCC2CC1C2 AT22816 [0,0,0,2,0,0|1,0,1]=4 275 B9R2.19 O=C1CCC2CC1C2 P12658 [0,0,0,2,0,0|0,0,0]=2 276 B9R2.19 O=C1NCC2CC1N2 P12451 [0,0,0,2,0,0|2,0,0]=4 277 B9R2.19 O[C@H]1CCC2CC1C2 AT22815 [0,0,0,2,0,0|0,0,2]=4 278 B9R2.21 O=C1CC2CC2CN1 P19558 [0,0,0,2,0,0|1,0,0]=3 279 B9R2.91 C1CC([C@@H]2CCN2)C1 E73406 [0,0,0,2,0,0|1,0,1]=4 280 B9R2.140 N[C@H]1CCC12CCC2 84850 [0,0,0,2,0,0|1,0,1]=4 281 B9R2.7 O=C1CC2CNCC12 D72828 [0,0,0,2,0,0|1,0,0]=3 282 B9R2.7 O=C1C[C@@H]2COC[C@H]12 AT20274 [0,0,0,2,0,0|1,0,0]=3