0 B5R0.3 C(C(=O)NN)O WX684421 [0,0,0,0,0,0|3,0,1]=4 1 B5R0.3 CC(CN)CCl WX600337 [0,0,0,0,0,0|2,0,0]=2 2 B5R0.3 CCC(C)NN WX684015 [0,0,0,0,0,0|2,0,0]=2 3 B5R0.3 CC[C@H](C)C#C WXC02726 [0,0,0,0,0,0|1,0,1]=2 4 B4R0.1 CC(C)NN WX684009 [1,0,0,0,0,0|2,0,0]=3 5 B4R0.1 CCC(=N)N WX619910 [1,0,0,0,0,0|2,0,1]=4 6 B4R0.2 CNCCCl WX600220 [1,0,0,0,0,0|2,0,0]=3 7 B6R0.1 CCNC(=O)CCl WX630212 [0,1,0,0,0,0|2,0,1]=4 8 B6R0.3 C([C@H](C(=O)N)N)O WX665005 [0,1,0,0,0,0|2,0,1]=4 9 B6R0.3 CC(C)C(=N)NO WX619096 [0,1,0,0,0,0|2,0,1]=4 10 B6R0.3 CC(C)\C(=N\O)\N WX690138 [0,1,0,0,0,0|2,0,1]=4 11 B6R0.8 C(C(CN)(F)F)N WX600135 [0,1,0,0,0,0|3,0,0]=4 12 B6R0.8 CC(C)(CBr)OC WX630267 [0,1,0,0,0,0|2,0,0]=3 13 B6R0.8 CCC(C)(C)NN WX684014 [0,1,0,0,0,0|2,0,0]=3 14 B6R0.8 CCS(=O)(=O)CCl WX630306 [0,1,0,0,0,0|3,0,0]=4 15 B6R0.9 C(C(CO)CO)O WXC00661 [0,1,0,0,0,0|1,0,0]=2 16 B6R1.2 C1CNCC1F WX604452 [0,0,0,1,0,0|2,0,0]=3 17 B6R1.2 C1CNCC1O WX642147 [0,0,0,1,0,0|2,0,0]=3 18 B6R1.2 C1COCC1I WX630128 [0,0,0,1,0,0|1,0,0]=2 19 B6R1.2 C1COCC1N WX604190 [0,0,0,1,0,0|1,0,0]=2 20 B6R1.2 C1COC[C@@H]1O WX642080 [0,0,0,1,0,0|1,0,0]=2 21 B6R1.2 C1COC[C@H]1N WX604612 [0,0,0,1,0,0|1,0,0]=2 22 B6R1.2 C1CSCC1O WX642050 [0,0,0,1,0,0|1,1,0]=3 23 B6R1.2 CC1CCCN1 WX604546 [0,0,0,1,0,0|2,0,0]=3 24 B6R1.2 CC1CCNC1 WX604072 [0,0,0,1,0,0|1,0,0]=2 25 B6R1.2 CC1CCNC1 WX604545 [0,0,0,1,0,0|1,0,0]=2 26 B6R1.6 C1C(CN1)C#N WX604703 [0,0,0,1,0,0|2,0,1]=4 27 B6R1.6 C1C(CO1)CO WX640003 [0,0,0,1,0,0|1,0,0]=2 28 B6R1.6 C1CC(C1)CN WX600100 [0,0,0,1,0,0|1,0,0]=2 29 B6R1.7 C1CC1(CF)N WX600317 [0,0,0,1,0,0|2,0,0]=3 30 B6R1.7 C1CC1(CN)O WX600001 [0,0,0,1,0,0|2,0,0]=3 31 B6R1.7 C1CC1(CO)F WXFC0177 [0,0,0,1,0,0|1,0,0]=2 32 B6R1.7 C1CC1(CO)O WX640334 [0,0,0,1,0,0|1,0,0]=2 33 B6R1.7 CC1(CC1)CN WX600116 [0,0,0,1,0,0|1,0,0]=2 34 B6R1.7 CC1(CC1)CO WX640226 [0,0,0,1,0,0|0,0,0]=1 35 B6R1.8 CC1CC1CO WX640291 [0,0,0,1,0,0|0,0,0]=1 36 B6R1.8 C[C@@H]1C[C@H]1CN WX601406 [0,0,0,1,0,0|1,0,0]=2 37 B6R1.8 C[C@H]1C[C@@H]1CO WX641112 [0,0,0,1,0,0|0,0,0]=1 38 B5R0.1 C(CF)C(=O)O WX610266 [1,1,0,0,0,0|1,0,1]=4 39 B5R0.1 CC(=O)CNC WX600212 [1,1,0,0,0,0|0,0,2]=4 40 B5R0.1 CC(C)CNN WX684055 [1,1,0,0,0,0|1,0,0]=3 41 B5R0.1 CC(CNN)O WX684013 [1,1,0,0,0,0|1,0,0]=3 42 B5R0.1 CC(CNN)O WX684431 [1,1,0,0,0,0|1,0,0]=3 43 B5R0.1 C[C@H](CC=C)O WX685032 [1,1,0,0,0,0|0,0,1]=3 44 B5R0.4 CC(C)(CN)O WX600104 [1,1,0,0,0,0|1,0,0]=3 45 B5R0.4 CC(CN)(F)F WX600332 [1,1,0,0,0,0|2,0,0]=4 46 B5R0.5 CC(C(=N)N)O WX619923 [1,1,0,0,0,0|1,0,1]=4 47 B5R0.2 C#CCCCN WX600312 [1,1,0,0,0,0|1,0,1]=4 48 B5R0.2 C(CN)CNN WX684011 [1,1,0,0,0,0|2,0,0]=4 49 B5R0.2 C(CNN)CO WX684063 [1,1,0,0,0,0|1,0,0]=3 50 B5R0.2 COCCNN WX684059 [1,1,0,0,0,0|2,0,0]=4 51 B7R0.2 CC(C)C[C@H](CO)N WX600172 [0,2,0,0,0,0|1,0,0]=3 52 B7R0.5 C(CN)[C@@H](C(=O)O)N WX665073 [0,2,0,0,0,0|1,0,1]=4 53 B7R0.5 CC(C)C(COC)N WX600059 [0,2,0,0,0,0|1,0,0]=3 54 B7R0.5 CCOC(C(F)F)O WX642031 [0,2,0,0,0,0|2,0,0]=4 55 B7R0.10 CCN(C)C(=O)CBr WX630206 [0,2,0,0,0,0|2,0,0]=4 56 B5R1.2 C1C(=O)CO1 WX625042 [1,0,0,1,0,0|1,0,1]=4 57 B5R1.2 C1C(CN1)F WX604199 [1,0,0,1,0,0|2,0,0]=4 58 B5R1.2 C1C(CN1)O WX604205 [1,0,0,1,0,0|1,0,0]=3 59 B5R1.2 C1C(CO1)N WX604200 [1,0,0,1,0,0|1,0,0]=3 60 B5R1.2 C1CC(C1)O WX642079 [1,0,0,1,0,0|0,0,0]=2 61 B5R1.2 CC1CCN1 WX604557 [1,0,0,1,0,0|1,0,0]=3 62 B5R1.2 CC1CNC1 WX604558 [1,0,0,1,0,0|1,0,0]=3 63 B5R1.3 C1CC1CO WX640290 [1,0,0,1,0,0|0,0,0]=2 64 B5R1.3 C1CC1NN WXC03921 [1,0,0,1,0,0|2,0,0]=4 65 B5R1.3 CNC1CC1 WX600338 [1,0,0,1,0,0|1,0,0]=3 66 B5R1.3 CNC1CC1 WX604563 [1,0,0,1,0,0|1,0,0]=3 67 B5R1.4 CC1CC1N WX604181 [1,0,0,1,0,0|1,0,0]=3 68 B5R1.4 CC1CC1N WX604564 [1,0,0,1,0,0|1,0,0]=3 69 B5R1.4 C[C@@H]1C[C@H]1N WX601308 [1,0,0,1,0,0|1,0,0]=3 70 B5R1.5 CC1(CC1)N WX600041 [1,0,0,1,0,0|1,0,0]=3 71 B5R1.5 CC1(CC1)N WX604565 [1,0,0,1,0,0|1,0,0]=3 72 B5R1.1 C1CNOC1 WX604361 [1,0,0,1,0,0|1,0,0]=3 73 B7R1.1 C1CC(NC1)CO WX640259 [0,1,0,1,0,0|0,0,0]=2 74 B7R1.1 C1CCC(C1)CN WX600042 [0,1,0,1,0,0|1,0,0]=3 75 B7R1.1 C1CCC(C1)NN WX684010 [0,1,0,1,0,0|2,0,0]=4 76 B7R1.1 C1CNCC1CO WX640045 [0,1,0,1,0,0|0,0,0]=2 77 B7R1.1 C1COCC1C#N WX684050 [0,1,0,1,0,0|0,0,1]=3 78 B7R1.1 CN[C@@H]1CCNC1 WX600300 [0,1,0,1,0,0|1,0,0]=3 79 B7R1.1 COC1CCNC1 WX604634 [0,1,0,1,0,0|1,0,0]=3 80 B7R1.2 C1C(COC1=O)N WXC01359 [0,1,0,1,0,0|1,0,1]=4 81 B7R1.2 C1C[C@@H](C[C@@H]1N)O WX600013 [0,1,0,1,0,0|1,0,0]=3 82 B7R1.2 C1C[C@@H](C[C@H]1N)O WX600233 [0,1,0,1,0,0|1,0,0]=3 83 B7R1.2 C1C[C@H](C[C@@H]1N)F WX601024 [0,1,0,1,0,0|2,0,0]=4 84 B7R1.2 C1C[C@H](C[C@@H]1N)O WX600015 [0,1,0,1,0,0|1,0,0]=3 85 B7R1.2 C1C[C@H](C[C@@H]1N)O WX600109 [0,1,0,1,0,0|1,0,0]=3 86 B7R1.2 C1C[C@H](C[C@@H]1N)O WX600355 [0,1,0,1,0,0|1,0,0]=3 87 B7R1.2 C1C[C@H](C[C@H]1N)F WX601025 [0,1,0,1,0,0|2,0,0]=4 88 B7R1.2 C1C[C@H](C[C@H]1N)O WX600108 [0,1,0,1,0,0|1,0,0]=3 89 B7R1.2 C1C[C@H](C[C@H]1N)O WX600234 [0,1,0,1,0,0|1,0,0]=3 90 B7R1.2 CC1CC(=O)NC1 WXC00781 [0,1,0,1,0,0|1,0,1]=4 91 B7R1.2 CN1CCC(C1)N WX604198 [0,1,0,1,0,0|2,0,0]=4 92 B7R1.2 CN1CCC(C1)O WX642149 [0,1,0,1,0,0|1,0,0]=3 93 B7R1.2 C[C@@H]1C[C@@H](CN1)F WX601109 [0,1,0,1,0,0|2,0,0]=4 94 B7R1.2 C[C@@H]1C[C@@H](CN1)O WX601206 [0,1,0,1,0,0|1,0,0]=3 95 B7R1.2 C[C@@H]1C[C@H](CN1)F WX601363 [0,1,0,1,0,0|2,0,0]=4 96 B7R1.2 C[C@@H]1C[C@H](CN1)O WX601205 [0,1,0,1,0,0|1,0,0]=3 97 B7R1.3 C1CC(=O)COC1 WX625057 [0,1,0,1,0,0|1,0,1]=4 98 B7R1.3 C1CC(COC1)O WX642095 [0,1,0,1,0,0|1,0,0]=3 99 B7R1.3 C1CCC(CC1)N WX604566 [0,1,0,1,0,0|2,0,0]=4 100 B7R1.3 C1COCCC1I WXC01153 [0,1,0,1,0,0|1,0,0]=3 101 B7R1.3 C1COCCC1N WX604186 [0,1,0,1,0,0|1,0,0]=3 102 B7R1.3 C1CSCCC1O WXC04166 [0,1,0,1,0,0|1,1,0]=4 103 B7R1.3 C1C[C@H](CNC1)O WX604192 [0,1,0,1,0,0|2,0,0]=4 104 B7R1.3 CC1CNCCO1 WX604548 [0,1,0,1,0,0|1,0,0]=3 105 B7R1.3 CC1COCCN1 WX604493 [0,1,0,1,0,0|0,0,0]=2 106 B7R1.3 C[C@@H]1COCCN1 WX604100 [0,1,0,1,0,0|0,0,0]=2 107 B7R1.3 C[C@H]1COCCN1 WX604204 [0,1,0,1,0,0|0,0,0]=2 108 B7R1.4 C1CNC(=O)[C@H]1O WX642165 [0,1,0,1,0,0|1,0,1]=4 109 B7R1.4 C1COC(=O)C1N WXC03217 [0,1,0,1,0,0|1,0,1]=4 110 B7R1.4 C1C[C@H]([C@@H](C1)O)N WX604346 [0,1,0,1,0,0|1,0,0]=3 111 B7R1.4 C1[C@@H]([C@H](CN1)F)O WX601067 [0,1,0,1,0,0|1,0,0]=3 112 B7R1.4 C1[C@@H]([C@H](CO1)O)N WX604241 [0,1,0,1,0,0|1,0,0]=3 113 B7R1.4 C1[C@H]([C@@H](CN1)F)F WX601098 [0,1,0,1,0,0|2,0,0]=4 114 B7R1.4 C1[C@H]([C@@H](CO1)F)O WX641036 [0,1,0,1,0,0|1,0,0]=3 115 B7R1.4 C1[C@H]([C@@H](CO1)O)N WX601208 [0,1,0,1,0,0|1,0,0]=3 116 B7R1.4 C1[C@H]([C@H](CN1)F)F WX604101 [0,1,0,1,0,0|2,0,0]=4 117 B7R1.4 C1[C@H]([C@H](CN1)F)O WX601096 [0,1,0,1,0,0|1,0,0]=3 118 B7R1.4 C1[C@H]([C@H](CO1)F)N WXC03777 [0,1,0,1,0,0|1,0,0]=3 119 B7R1.4 CC1CNCC1O WX642148 [0,1,0,1,0,0|0,0,0]=2 120 B7R1.4 C[C@@H]1CNC[C@@H]1F WX601185 [0,1,0,1,0,0|1,0,0]=3 121 B7R1.4 C[C@@H]1[C@@H](CCO1)N WX601243 [0,1,0,1,0,0|1,0,0]=3 122 B7R1.4 C[C@H]1CCC[C@@H]1O WX641033 [0,1,0,1,0,0|0,0,0]=2 123 B7R1.4 C[C@H]1CCC[C@H]1N WX601120 [0,1,0,1,0,0|1,0,0]=3 124 B7R1.4 C[C@H]1CCC[C@H]1O WX641034 [0,1,0,1,0,0|0,0,0]=2 125 B7R1.4 C[C@H]1CNC[C@@H]1O WX642072 [0,1,0,1,0,0|0,0,0]=2 126 B7R1.4 C[C@H]1CNC[C@H]1O WX601066 [0,1,0,1,0,0|0,0,0]=2 127 B7R1.4 C[C@H]1COC[C@@H]1O WX641037 [0,1,0,1,0,0|0,0,0]=2 128 B7R1.4 C[C@H]1COC[C@H]1O WX641035 [0,1,0,1,0,0|0,0,0]=2 129 B7R1.6 CCOC1CNC1 WX604521 [0,1,0,1,0,0|1,0,0]=3 130 B7R1.6 COCC1CNC1 WXC03060 [0,1,0,1,0,0|1,0,0]=3 131 B7R1.10 C1C(CC1F)CO WXFC0195 [0,1,0,1,0,0|0,0,0]=2 132 B7R1.10 CC1CC(C1)CN WX600107 [0,1,0,1,0,0|1,0,0]=3 133 B7R1.10 CC1CC(C1)NC WX600326 [0,1,0,1,0,0|2,0,0]=4 134 B7R1.10 CCN1CC(C1)O WX642134 [0,1,0,1,0,0|1,0,0]=3 135 B7R1.25 C1C(CN1)(CO)F WX601173 [0,1,0,1,0,0|1,0,0]=3 136 B7R1.25 C1CC(C1)(C#N)N WX600068 [0,1,0,1,0,0|1,0,1]=4 137 B7R1.25 CC1(CNC1)C#N WX604710 [0,1,0,1,0,0|1,0,1]=4 138 B7R1.25 CC1(CNC1)CO WX601290 [0,1,0,1,0,0|0,0,0]=2 139 B7R1.25 CC1(CNC1)OC WX601305 [0,1,0,1,0,0|2,0,0]=4 140 B7R1.25 CC1(COC1)CN WX603082 [0,1,0,1,0,0|1,0,0]=3 141 B7R1.12 C1[C@H]([C@@H]1F)C(=O)O WX610333 [0,1,0,1,0,0|1,0,1]=4 142 B7R1.12 C1[C@H]([C@H]1F)C(=O)O WX610334 [0,1,0,1,0,0|1,0,1]=4 143 B7R1.12 CC1CC1C(=O)O WX610273 [0,1,0,1,0,0|0,0,1]=3 144 B7R1.12 C[C@H]1C[C@@H]1C(=O)O WX611005 [0,1,0,1,0,0|0,0,1]=3 145 B7R1.18 CN(C)C1CNC1 WX604042 [0,1,0,1,0,0|2,0,0]=4 146 B7R1.19 C1CC1(C(=O)O)F WXFC0175 [0,1,0,1,0,0|1,0,1]=4 147 B7R1.19 CC1(CC1)C(=O)O WX610274 [0,1,0,1,0,0|0,0,1]=3 148 B7R1.14 C1CNCC1(F)F WX604443 [0,1,0,1,0,0|2,0,0]=4 149 B7R1.14 CC1(CCCN1)C WX601048 [0,1,0,1,0,0|2,0,0]=4 150 B7R1.14 CC1(CCCN1)C WX604492 [0,1,0,1,0,0|2,0,0]=4 151 B7R1.14 CC1(CCNC1)O WX644011 [0,1,0,1,0,0|1,0,0]=3 152 B7R1.29 C1CC1(CO)CF WX640001 [0,1,0,1,0,0|0,0,0]=2