0 B5R0.1 CC(=O)CNC WX600212 [0,0,0,0,0,0|3,0,1]=4 1 B5R0.1 CC(C)CNN WX684055 [0,0,0,0,0,0|2,0,0]=2 2 B5R0.1 CC(CNN)O WX684013 [0,0,0,0,0,0|3,0,0]=3 3 B5R0.1 CC(CNN)O WX684431 [0,0,0,0,0,0|3,0,0]=3 4 B5R0.1 C[C@H](CC=C)O WX685032 [0,0,0,0,0,0|2,0,0]=2 5 B4R0.1 CC(C)NN WX684009 [1,0,0,0,0,0|2,0,0]=3 6 B4R0.2 C(=C\N)/C=O WXC00375 [1,0,0,0,0,0|1,0,2]=4 7 B4R0.2 C=CCNN WX684058 [1,0,0,0,0,0|3,0,0]=4 8 B4R0.2 CNCCCl WX600220 [1,0,0,0,0,0|2,0,1]=4 9 B6R0.2 C[C@@H](CC(=O)O)N WX665057 [0,1,0,0,0,0|1,0,0]=2 10 B6R0.2 C\C(=C\C(=O)O)\I WXC02281 [0,1,0,0,0,0|1,0,2]=4 11 B6R0.3 CC(C)C(=N)NO WX619096 [0,1,0,0,0,0|1,0,2]=4 12 B6R0.3 CC(C)C(=O)NN WX684019 [0,1,0,0,0,0|2,0,1]=4 13 B6R0.3 CC(C)\C(=N\O)\N WX690138 [0,1,0,0,0,0|1,0,2]=4 14 B6R0.5 CC(C)(C)CCN WXC00272 [0,1,0,0,0,0|1,0,1]=3 15 B6R0.5 CC(C)(CNC)O WXC03436 [0,1,0,0,0,0|2,0,0]=3 16 B6R1.2 C1CNCC1F WX604452 [0,0,0,1,0,0|2,0,1]=4 17 B6R1.2 C1CNCC1O WX642147 [0,0,0,1,0,0|2,0,1]=4 18 B6R1.2 C1COCC1I WX630128 [0,0,0,1,0,0|1,0,2]=4 19 B6R1.2 C1COCC1N WX604190 [0,0,0,1,0,0|1,0,2]=4 20 B6R1.2 C1COC[C@@H]1O WX642080 [0,0,0,1,0,0|1,0,2]=4 21 B6R1.2 C1COC[C@H]1N WX604612 [0,0,0,1,0,0|1,0,2]=4 22 B6R1.2 C1CSCC1O WX642050 [0,0,0,1,0,0|1,1,1]=4 23 B6R1.2 CC1CCCN1 WX604546 [0,0,0,1,0,0|2,0,1]=4 24 B6R1.2 CC1CCNC1 WX604072 [0,0,0,1,0,0|1,0,1]=3 25 B6R1.2 CC1CCNC1 WX604545 [0,0,0,1,0,0|1,0,1]=3 26 B6R1.3 C1CC1NC=O WX620003 [0,0,0,1,0,0|1,0,0]=2 27 B6R1.3 CNCC1CC1 WX600339 [0,0,0,1,0,0|2,0,0]=3 28 B6R1.5 C1C(CC1F)N WX600329 [0,0,0,1,0,0|2,0,1]=4 29 B6R1.5 C1C(CC1O)N WX600008 [0,0,0,1,0,0|1,0,2]=4 30 B6R1.5 CC1CC(C1)N WX600002 [0,0,0,1,0,0|1,0,1]=3 31 B6R1.5 CN1CC(C1)O WX642063 [0,0,0,1,0,0|1,0,2]=4 32 B6R1.5 CN1CC(C1)O WX642150 [0,0,0,1,0,0|1,0,2]=4 33 B6R1.8 CC1CC1CO WX640291 [0,0,0,1,0,0|0,0,2]=3 34 B6R1.8 C[C@@H]1C[C@H]1CN WX601406 [0,0,0,1,0,0|1,0,1]=3 35 B6R1.8 C[C@H]1C[C@@H]1CO WX641112 [0,0,0,1,0,0|0,0,2]=3 36 B6R1.10 CC1(CCC1)N WXC00635 [0,0,0,1,0,0|2,0,1]=4 37 B6R1.10 CC1(CNC1)F WX604673 [0,0,0,1,0,0|3,0,0]=4 38 B6R1.10 CC1(CNC1)O WX604685 [0,0,0,1,0,0|3,0,0]=4 39 B6R1.11 CC(C1CC1)O WX642143 [0,0,0,1,0,0|2,0,1]=4 40 B6R1.11 C[C@@H](C1CC1)N WX600160 [0,0,0,1,0,0|2,0,1]=4 41 B6R1.11 C[C@H](C1CC1)N WX600040 [0,0,0,1,0,0|2,0,1]=4 42 B6R1.11 C[C@H](C1CC1)N WXC03224 [0,0,0,1,0,0|2,0,1]=4 43 B5R0.3 CC(CN)CCl WX600337 [1,1,0,0,0,0|1,0,0]=3 44 B5R0.3 CCC(C)NN WX684015 [1,1,0,0,0,0|1,0,1]=4 45 B5R0.3 CC[C@H](C)C#C WXC02726 [1,1,0,0,0,0|0,0,2]=4 46 B5R0.4 CC(C)(CN)O WX600104 [1,1,0,0,0,0|1,0,0]=3 47 B5R0.4 CC(CN)(F)F WX600332 [1,1,0,0,0,0|2,0,0]=4 48 B5R0.5 CC(C(=N)N)O WX619923 [1,1,0,0,0,0|2,0,0]=4 49 B5R0.5 CN(C)C(=N)N WX619912 [1,1,0,0,0,0|2,0,0]=4 50 B5R0.5 CN(C)C(=N)N WX619935 [1,1,0,0,0,0|2,0,0]=4 51 B5R0.2 C#CCCCN WX600312 [1,1,0,0,0,0|1,0,1]=4 52 B5R0.2 C(CN)CNN WX684011 [1,1,0,0,0,0|2,0,0]=4 53 B5R0.2 C(CNN)CO WX684063 [1,1,0,0,0,0|2,0,0]=4 54 B5R0.2 CCO\C=C/Br WX630081 [1,1,0,0,0,0|1,0,1]=4 55 B5R0.2 COCCNN WX684059 [1,1,0,0,0,0|2,0,0]=4 56 B7R0.2 CC(C)C[C@H](CO)N WX600172 [0,2,0,0,0,0|0,0,2]=4 57 B7R0.5 CC(C)C(COC)N WX600059 [0,2,0,0,0,0|0,0,2]=4 58 B7R0.6 CC(C)\C=C\[N+](=O)[O-] WX685406 [0,2,0,0,0,0|0,0,1]=3 59 B5R1.2 C1C(CN1)F WX604199 [1,0,0,1,0,0|2,0,0]=4 60 B5R1.2 C1C(CN1)O WX604205 [1,0,0,1,0,0|2,0,0]=4 61 B5R1.2 C1C(CO1)N WX604200 [1,0,0,1,0,0|1,0,1]=4 62 B5R1.2 C1CC(C1)O WX642079 [1,0,0,1,0,0|1,0,1]=4 63 B5R1.2 CC1CCN1 WX604557 [1,0,0,1,0,0|1,0,1]=4 64 B5R1.2 CC1CNC1 WX604558 [1,0,0,1,0,0|1,0,0]=3 65 B5R1.3 C1CC1CO WX640290 [1,0,0,1,0,0|0,0,1]=3 66 B5R1.3 C1CC1NN WXC03921 [1,0,0,1,0,0|2,0,0]=4 67 B5R1.3 CNC1CC1 WX600338 [1,0,0,1,0,0|1,0,1]=4 68 B5R1.3 CNC1CC1 WX604563 [1,0,0,1,0,0|1,0,1]=4 69 B5R1.4 CC1CC1N WX604181 [1,0,0,1,0,0|1,0,0]=3 70 B5R1.4 CC1CC1N WX604564 [1,0,0,1,0,0|1,0,0]=3 71 B5R1.4 C[C@@H]1C[C@H]1N WX601308 [1,0,0,1,0,0|1,0,0]=3 72 B5R1.5 CC1(CC1)N WX600041 [1,0,0,1,0,0|1,0,1]=4 73 B5R1.5 CC1(CC1)N WX604565 [1,0,0,1,0,0|1,0,1]=4 74 B5R1.1 C1C=CCN1 WXC02554 [1,0,0,1,0,0|2,0,0]=4 75 B5R1.1 C1CNOC1 WX604361 [1,0,0,1,0,0|1,0,1]=4 76 B7R1.1 C1CCC(C1)CN WX600042 [0,1,0,1,0,0|1,0,1]=4 77 B7R1.1 C1CNCC1CO WX640045 [0,1,0,1,0,0|1,0,1]=4 78 B7R1.1 CN[C@@H]1CCNC1 WX600300 [0,1,0,1,0,0|1,0,1]=4 79 B7R1.1 COC1CCNC1 WX604634 [0,1,0,1,0,0|1,0,1]=4 80 B7R1.2 C1C(COC1=O)N WXC01359 [0,1,0,1,0,0|1,0,0]=3 81 B7R1.2 C1[C@@H](CNC1=O)O WX650011 [0,1,0,1,0,0|1,0,0]=3 82 B7R1.2 CC1CC(=O)NC1 WXC00781 [0,1,0,1,0,0|0,0,0]=2 83 B7R1.2 C[C@@H]1C[C@@H](CN1)F WX601109 [0,1,0,1,0,0|1,0,1]=4 84 B7R1.2 C[C@@H]1C[C@@H](CN1)O WX601206 [0,1,0,1,0,0|0,0,2]=4 85 B7R1.2 C[C@@H]1C[C@H](CN1)F WX601363 [0,1,0,1,0,0|1,0,1]=4 86 B7R1.2 C[C@@H]1C[C@H](CN1)O WX601205 [0,1,0,1,0,0|0,0,2]=4 87 B7R1.3 CC1CNCCO1 WX604548 [0,1,0,1,0,0|1,0,1]=4 88 B7R1.3 CC1COCCN1 WX604493 [0,1,0,1,0,0|0,0,2]=4 89 B7R1.3 C[C@@H]1COCCN1 WX604100 [0,1,0,1,0,0|0,0,2]=4 90 B7R1.3 C[C@H]1COCCN1 WX604204 [0,1,0,1,0,0|0,0,2]=4 91 B7R1.4 CC1CNCC1O WX642148 [0,1,0,1,0,0|1,0,1]=4 92 B7R1.4 C[C@@H]1CNC[C@@H]1F WX601185 [0,1,0,1,0,0|1,0,1]=4 93 B7R1.4 C[C@H]1CCC[C@@H]1O WX641033 [0,1,0,1,0,0|1,0,1]=4 94 B7R1.4 C[C@H]1CCC[C@H]1N WX601120 [0,1,0,1,0,0|1,0,1]=4 95 B7R1.4 C[C@H]1CCC[C@H]1O WX641034 [0,1,0,1,0,0|1,0,1]=4 96 B7R1.4 C[C@H]1CNC[C@@H]1O WX642072 [0,1,0,1,0,0|1,0,1]=4 97 B7R1.4 C[C@H]1CNC[C@H]1O WX601066 [0,1,0,1,0,0|1,0,1]=4 98 B7R1.4 C[C@H]1COC[C@@H]1O WX641037 [0,1,0,1,0,0|0,0,2]=4 99 B7R1.4 C[C@H]1COC[C@H]1O WX641035 [0,1,0,1,0,0|0,0,2]=4 100 B7R1.6 COCC1CNC1 WXC03060 [0,1,0,1,0,0|2,0,0]=4 101 B7R1.10 C1C(CC1=O)C#N WX683078 [0,1,0,1,0,0|0,0,1]=3 102 B7R1.10 C1C(CC1F)CO WXFC0195 [0,1,0,1,0,0|1,0,1]=4 103 B7R1.10 C=C1CC(C1)C#N WX683001 [0,1,0,1,0,0|1,0,1]=4 104 B7R1.10 CC1CC(C1)CN WX600107 [0,1,0,1,0,0|1,0,1]=4 105 B7R1.10 CC1CC(C1)NC WX600326 [0,1,0,1,0,0|1,0,1]=4 106 B7R1.25 CC1(CNC1)CO WX601290 [0,1,0,1,0,0|2,0,0]=4 107 B7R1.25 CC1(CNC1)OC WX601305 [0,1,0,1,0,0|2,0,0]=4 108 B7R1.25 CC1(COC1)CN WX603082 [0,1,0,1,0,0|2,0,0]=4 109 B7R1.12 C1[C@H]([C@@H]1F)C(=O)O WX610333 [0,1,0,1,0,0|1,0,0]=3 110 B7R1.12 C1[C@H]([C@H]1F)C(=O)O WX610334 [0,1,0,1,0,0|1,0,0]=3 111 B7R1.12 CC1CC1C(=O)O WX610273 [0,1,0,1,0,0|0,0,0]=2 112 B7R1.12 C[C@H]1C[C@@H]1C(=O)O WX611005 [0,1,0,1,0,0|0,0,0]=2 113 B7R1.16 C1C(CS1(=O)=O)N WX600319 [0,1,0,1,0,0|2,0,0]=4 114 B7R1.16 C=C1CC(C1)(F)F WXFC0099 [0,1,0,1,0,0|2,0,0]=4 115 B7R1.14 CC1(CCCN1)C WX601048 [0,1,0,1,0,0|1,0,1]=4 116 B7R1.14 CC1(CCCN1)C WX604492 [0,1,0,1,0,0|1,0,1]=4 117 B7R1.14 CC1(CCNC1)O WX644011 [0,1,0,1,0,0|1,0,1]=4 118 B7R1.26 CC(C)(C1CC1)N WX600264 [0,1,0,1,0,0|1,0,1]=4 119 B7R2.5 C1C2CC1(C2)N WX601023 [0,0,0,2,0,0|1,0,1]=4