0 B7R0.4 CC(=O)NCCCO WXC04434 [0,0,0,0,0,0|3,0,0]=3 1 B6R0.4 CC(=C)CCCBr WX630324 [1,0,0,0,0,0|3,0,0]=4 2 B6R0.4 CC(=C)CCCO WX640339 [1,0,0,0,0,0|3,0,0]=4 3 B8R0.28 CC(C)CNCC(=O)O WXC00158 [0,1,0,0,0,0|1,0,0]=2 4 B8R1.1 C1C(COC1=O)CO WX640247 [0,0,0,1,0,0|3,0,0]=4 5 B8R1.1 C1CC(=O)CC1C#N WX683083 [0,0,0,1,0,0|2,0,1]=4 6 B8R1.1 C1CC(=O)O[C@H]1CO WX640049 [0,0,0,1,0,0|1,0,0]=2 7 B8R1.1 C1CC(CC1CN)O WX601015 [0,0,0,1,0,0|2,0,1]=4 8 B8R1.1 CCC1COC(=O)N1 WX619211 [0,0,0,1,0,0|2,0,0]=3 9 B8R1.1 C[C@H]1CC[C@H](O1)CO WX641069 [0,0,0,1,0,0|2,0,1]=4 10 B8R1.4 C1C[C@@H](C[C@@H](C1)O)N WX600037 [0,0,0,1,0,0|2,0,1]=4 11 B8R1.4 C1C[C@@H](C[C@H](C1)O)N WX600039 [0,0,0,1,0,0|2,0,1]=4 12 B8R1.4 C1C[C@H](C[C@@H](C1)O)N WX600038 [0,0,0,1,0,0|2,0,1]=4 13 B8R1.4 C1C[C@H](C[C@H](C1)O)N WX600036 [0,0,0,1,0,0|2,0,1]=4 14 B8R1.4 CC1CC(=O)CCN1 WX604553 [0,0,0,1,0,0|2,0,0]=3 15 B8R1.4 CC1CCCC(C1)N WX604179 [0,0,0,1,0,0|2,0,1]=4 16 B8R1.4 CC1CNCC(=O)N1 WX604173 [0,0,0,1,0,0|2,0,0]=3 17 B8R1.4 C[C@@H]1CNC[C@H](O1)C WXC01422 [0,0,0,1,0,0|2,0,1]=4 18 B8R1.7 C1CC(OC1)C(=S)N WX619952 [0,0,0,1,0,0|2,1,0]=4 19 B8R1.7 C1CC(SC1)C(=O)O WX610408 [0,0,0,1,0,0|1,0,0]=2 20 B8R1.7 C1CCC(C1)C(=N)N WX619914 [0,0,0,1,0,0|2,0,0]=3 21 B8R1.7 C1COCC1C(=O)O WX610323 [0,0,0,1,0,0|1,0,0]=2 22 B8R1.7 CC(C1CCNC1)O WX642043 [0,0,0,1,0,0|2,0,1]=4 23 B8R1.7 CC(C1CCNC1)O WX642144 [0,0,0,1,0,0|2,0,1]=4 24 B8R1.19 C[C@H]1COC[C@@]1(C)O WX641177 [0,0,0,1,0,0|2,0,1]=4 25 B8R1.22 C1CC(=O)CCOC1 WXC02242 [0,0,0,1,0,0|2,0,0]=3 26 B8R1.22 C1CC(CCNC1)O WX604618 [0,0,0,1,0,0|2,0,1]=4 27 B8R1.22 C1CCNCC(C1)O WX601139 [0,0,0,1,0,0|2,0,1]=4 28 B8R1.22 C1CNC(=O)COC1 WX619937 [0,0,0,1,0,0|2,0,0]=3 29 B8R1.22 C1CNCC(=O)NC1 WX604239 [0,0,0,1,0,0|2,0,0]=3 30 B8R1.22 CC1CCCCCN1 WX604487 [0,0,0,1,0,0|2,0,1]=4 31 B8R1.22 CC1CNCCCO1 WX604057 [0,0,0,1,0,0|2,0,1]=4 32 B8R1.72 C1CCS(=O)(=O)NC1 WX682914 [0,0,0,1,0,0|2,0,1]=4 33 B8R1.72 CC1(CCCCC1)N WX604176 [0,0,0,1,0,0|2,0,1]=4 34 B8R1.72 CC1(CCCCC1)N WX604567 [0,0,0,1,0,0|2,0,1]=4 35 B8R1.72 CC1(CCNCC1)O WX644002 [0,0,0,1,0,0|2,0,1]=4 36 B8R1.72 CC1(CCOCC1)O WX641208 [0,0,0,1,0,0|2,0,1]=4 37 B5R0.1 C(CF)C(=O)O WX610266 [2,0,0,0,0,0|1,0,0]=3 38 B5R0.1 CC(=O)CNC WX600212 [2,0,0,0,0,0|2,0,0]=4 39 B5R0.1 CCCC(=N)N WX619909 [2,0,0,0,0,0|2,0,0]=4 40 B5R0.2 C(CNN)CO WX684063 [2,0,0,0,0,0|2,0,0]=4 41 B7R0.3 COC(=O)CCCN WX600050 [1,1,0,0,0,0|1,0,0]=3 42 B7R0.5 C(CN)[C@@H](C(=O)O)N WX665073 [1,1,0,0,0,0|1,0,0]=3 43 B7R0.1 C(CN)COCCO WXC01458 [1,1,0,0,0,0|1,0,1]=4 44 B9R0.53 CC(C)CC(CC(=O)O)N WX665033 [0,2,0,0,0,0|0,0,0]=2 45 B9R0.1 CC(C)C\C=C\C(=O)OC WXC02876 [0,2,0,0,0,0|0,0,2]=4 46 B9R0.1 COC(=O)CCC[N+](=O)[O-] WXC04005 [0,2,0,0,0,0|2,0,0]=4 47 B9R0.46 CCNCCCC(=O)OC WX600178 [0,2,0,0,0,0|0,0,0]=2 48 B9R0.46 COC(=O)CSCCCCl WXC03428 [0,2,0,0,0,0|1,0,0]=3 49 B9R0.2 C(CCO)CNCC(=O)O WX610261 [0,2,0,0,0,0|0,0,0]=2 50 B7R1.2 CC1CC(=O)NC1 WXC00781 [1,0,0,1,0,0|2,0,0]=4 51 B7R1.3 C1CC(=O)COC1 WX625057 [1,0,0,1,0,0|2,0,0]=4 52 B7R1.3 C1CNC(=O)CN1 WX604543 [1,0,0,1,0,0|2,0,0]=4 53 B7R1.3 C1CNCCC1=O WX604552 [1,0,0,1,0,0|2,0,0]=4 54 B7R1.3 C1COC(=O)C=C1 WX685450 [1,0,0,1,0,0|0,0,2]=4 55 B7R1.12 C1[C@H]([C@@H]1F)C(=O)O WX610333 [1,0,0,1,0,0|1,0,0]=3 56 B7R1.12 C1[C@H]([C@H]1F)C(=O)O WX610334 [1,0,0,1,0,0|1,0,0]=3 57 B7R1.12 CC1CC1C(=O)O WX610273 [1,0,0,1,0,0|0,0,0]=2 58 B7R1.12 C[C@H]1C[C@@H]1C(=O)O WX611005 [1,0,0,1,0,0|0,0,0]=2 59 B7R1.1 C1CC(NC1)CO WX640259 [1,0,0,1,0,0|1,0,1]=4 60 B7R1.1 C1CCC(C1)CN WX600042 [1,0,0,1,0,0|1,0,1]=4 61 B7R1.1 C1CCC(C1)NN WX684010 [1,0,0,1,0,0|2,0,0]=4 62 B7R1.1 C1CNCC1CO WX640045 [1,0,0,1,0,0|1,0,1]=4 63 B7R1.4 C1CNC(=O)[C@@H]1N WX604202 [1,0,0,1,0,0|2,0,0]=4 64 B7R1.4 C1CNC(=O)[C@H]1O WX642165 [1,0,0,1,0,0|2,0,0]=4 65 B7R1.4 C1COC(=O)C1N WXC03217 [1,0,0,1,0,0|2,0,0]=4 66 B7R1.4 C1C[C@H]([C@@H](C1)O)N WX604346 [1,0,0,1,0,0|1,0,1]=4 67 B7R1.4 CC1CNCC1O WX642148 [1,0,0,1,0,0|1,0,1]=4 68 B7R1.4 C[C@H]1CCC[C@@H]1O WX641033 [1,0,0,1,0,0|0,0,1]=3 69 B7R1.4 C[C@H]1CCC[C@H]1N WX601120 [1,0,0,1,0,0|1,0,1]=4 70 B7R1.4 C[C@H]1CCC[C@H]1O WX641034 [1,0,0,1,0,0|0,0,1]=3 71 B7R1.4 C[C@H]1CNC[C@@H]1O WX642072 [1,0,0,1,0,0|1,0,1]=4 72 B7R1.4 C[C@H]1CNC[C@H]1O WX601066 [1,0,0,1,0,0|1,0,1]=4 73 B7R1.4 C[C@H]1COC[C@@H]1O WX641037 [1,0,0,1,0,0|1,0,1]=4 74 B7R1.4 C[C@H]1COC[C@H]1O WX641035 [1,0,0,1,0,0|1,0,1]=4 75 B7R1.24 C1CNCCOC1 WX604716 [1,0,0,1,0,0|1,0,1]=4 76 B9R1.13 C1CCN(C1)CC(=O)O WX610257 [0,1,0,1,0,0|0,0,0]=2 77 B9R1.41 C1C(C(CN1)O)C(=O)O WX601556 [0,1,0,1,0,0|1,0,0]=3 78 B9R1.41 C1CN[C@@H]([C@H]1O)C(=O)O WX660034 [0,1,0,1,0,0|1,0,0]=3 79 B9R1.41 CC1CCCC1C(=O)O WX611680 [0,1,0,1,0,0|0,0,0]=2 80 B9R1.41 C[C@H]1[C@H](CCO1)C(=O)O WX611127 [0,1,0,1,0,0|0,0,0]=2 81 B9R1.53 CC(=O)N[C@H]1C[C@@H](C1)N WXC00530 [0,1,0,1,0,0|2,0,0]=4 82 B9R1.171 C1CC(C1)(CC(=O)O)O WX610394 [0,1,0,1,0,0|0,0,0]=2 83 B9R1.1 C1C(OCC(=O)N1)CN WXC00380 [0,1,0,1,0,0|2,0,0]=4 84 B9R1.1 C1C(OCC(=O)N1)CN WXC00381 [0,1,0,1,0,0|2,0,0]=4 85 B9R1.1 C1[C@@H](OCC(=O)N1)CO WXC00056 [0,1,0,1,0,0|2,0,0]=4 86 B9R1.1 C1[C@H](OCC(=O)N1)CO WX640387 [0,1,0,1,0,0|2,0,0]=4 87 B9R1.2 C1CNC(=O)CC1CN WX600136 [0,1,0,1,0,0|2,0,0]=4 88 B9R1.2 C1CNC(=O)CC1CN WX600354 [0,1,0,1,0,0|2,0,0]=4 89 B9R1.5 C1CC(=O)C(CNC1)F WX601133 [0,1,0,1,0,0|2,0,0]=4 90 B9R1.5 C1CC(C(=O)CNC1)F WX601127 [0,1,0,1,0,0|2,0,0]=4 91 B9R1.5 C1CCNC(=O)[C@H](C1)N WX604515 [0,1,0,1,0,0|1,0,0]=3 92 B9R1.5 C1CNCCC(=O)C1F WX601136 [0,1,0,1,0,0|2,0,0]=4 93 B9R1.5 CC1C(=O)NCCCO1 WX619938 [0,1,0,1,0,0|2,0,0]=4 94 B9R1.5 CC1CCNCCC1=O WX601215 [0,1,0,1,0,0|2,0,0]=4 95 B9R1.5 CC1CNCCCC1=O WX601218 [0,1,0,1,0,0|2,0,0]=4 96 B9R1.11 C1CCN(C1)C(=O)CCl WX630093 [0,1,0,1,0,0|2,0,0]=4 97 B9R1.11 COC(=O)C1CCCC1 WX618330 [0,1,0,1,0,0|0,0,0]=2 98 B9R1.11 COC(=O)C1CCCN1 WX604114 [0,1,0,1,0,0|1,0,0]=3 99 B9R1.11 COC(=O)C1CCNC1 WX604193 [0,1,0,1,0,0|1,0,0]=3 100 B9R1.49 CN1CCCC(=O)CC1 WX625013 [0,1,0,1,0,0|2,0,0]=4 101 B9R1.6 C1CCN[C@@H](C1)C(=O)O WX665058 [0,1,0,1,0,0|0,0,0]=2 102 B9R1.6 C1CSCCC1C(=O)O WX610200 [0,1,0,1,0,0|0,0,0]=2 103 B9R1.6 CC(=O)C1CCOCC1 WX625056 [0,1,0,1,0,0|1,0,0]=3 104 B9R1.6 CC(C1CCOCC1)O WX642047 [0,1,0,1,0,0|1,0,1]=4 105 B9R1.40 CC1CNCCC1(C)O WX601436 [0,1,0,1,0,0|1,0,1]=4 106 B9R1.40 C[C@@H]1CCNC[C@@]1(C)O WX601586 [0,1,0,1,0,0|1,0,1]=4 107 B9R1.40 C[C@@H]1CCNC[C@]1(C)O WX601585 [0,1,0,1,0,0|1,0,1]=4 108 B9R1.148 CC1(CCCCNC1)O WX601224 [0,1,0,1,0,0|1,0,1]=4 109 B9R1.148 CC1(CCCNCC1)O WX604654 [0,1,0,1,0,0|1,0,1]=4 110 B9R1.148 CC1(CCCNCC1)O WX644009 [0,1,0,1,0,0|1,0,1]=4 111 B9R1.35 C1CC(CC1C(=O)O)F WX611711 [0,1,0,1,0,0|0,0,0]=2 112 B9R1.35 C1C[C@@H](C[C@@H]1C(=O)O)N WX604626 [0,1,0,1,0,0|0,0,0]=2 113 B9R1.35 C1[C@H](CN[C@@H]1C(=O)O)F WX660039 [0,1,0,1,0,0|1,0,0]=3 114 B9R1.35 CC(C)C1COC(=O)N1 WX690028 [0,1,0,1,0,0|2,0,0]=4 115 B9R1.35 CC1CCC(C1)C(=O)O WX611716 [0,1,0,1,0,0|0,0,0]=2 116 B9R1.35 C[C@@H]1CC[C@@H](O1)C(=O)O WX611125 [0,1,0,1,0,0|0,0,0]=2 117 B9R1.112 C1CC1NC(=O)C(=O)O WXC02525 [0,1,0,1,0,0|1,0,1]=4 118 B9R1.163 C[C@@]1(CCCN1)C(=O)O WX660001 [0,1,0,1,0,0|1,0,0]=3 119 B9R1.163 C[C@]1(CCCN1)C(=O)O WX660002 [0,1,0,1,0,0|1,0,0]=3 120 B9R1.10 C[C@]1(CC[C@@H](CC1)N)O WX600018 [0,1,0,1,0,0|1,0,1]=4 121 B9R1.10 C[C@]1(CC[C@H](CC1)N)O WX600017 [0,1,0,1,0,0|1,0,1]=4