0 B5R0.3 C(C(=O)NN)O WX684421 [0,0,0,0,0,0|2,0,2]=4 1 B5R0.3 CC(CN)CCl WX600337 [0,0,0,0,0,0|3,0,0]=3 2 B5R0.3 CCC(C)NN WX684015 [0,0,0,0,0,0|4,0,0]=4 3 B5R0.3 CC[C@H](C)C#C WXC02726 [0,0,0,0,0,0|3,0,1]=4 4 B4R0.1 CC(C)NN WX684009 [1,0,0,0,0,0|3,0,0]=4 5 B4R0.2 CNCCCl WX600220 [1,0,0,0,0,0|3,0,0]=4 6 B6R0.3 C([C@H](C(=O)N)N)O WX665005 [0,1,0,0,0,0|1,0,2]=4 7 B6R0.8 C(C(CN)(F)F)N WX600135 [0,1,0,0,0,0|3,0,0]=4 8 B6R0.9 C(C(CO)CO)O WXC00661 [0,1,0,0,0,0|0,0,0]=1 9 B6R1.2 C1CNCC1F WX604452 [0,0,0,1,0,0|3,0,0]=4 10 B6R1.2 C1CNCC1O WX642147 [0,0,0,1,0,0|2,0,0]=3 11 B6R1.2 C1COCC1I WX630128 [0,0,0,1,0,0|2,0,0]=3 12 B6R1.2 C1COCC1N WX604190 [0,0,0,1,0,0|2,0,0]=3 13 B6R1.2 C1COC[C@@H]1O WX642080 [0,0,0,1,0,0|1,0,0]=2 14 B6R1.2 C1COC[C@H]1N WX604612 [0,0,0,1,0,0|2,0,0]=3 15 B6R1.2 C1CSCC1O WX642050 [0,0,0,1,0,0|1,1,0]=3 16 B6R1.2 CC1CCNC1 WX604072 [0,0,0,1,0,0|3,0,0]=4 17 B6R1.2 CC1CCNC1 WX604545 [0,0,0,1,0,0|3,0,0]=4 18 B6R1.6 C1C(CO1)CO WX640003 [0,0,0,1,0,0|1,0,0]=2 19 B6R1.6 C1CC(C1)CN WX600100 [0,0,0,1,0,0|3,0,0]=4 20 B6R1.7 C1CC1(CF)N WX600317 [0,0,0,1,0,0|3,0,0]=4 21 B6R1.7 C1CC1(CN)O WX600001 [0,0,0,1,0,0|2,0,0]=3 22 B6R1.7 C1CC1(CO)F WXFC0177 [0,0,0,1,0,0|2,0,0]=3 23 B6R1.7 C1CC1(CO)O WX640334 [0,0,0,1,0,0|1,0,0]=2 24 B6R1.7 CC1(CC1)CN WX600116 [0,0,0,1,0,0|3,0,0]=4 25 B6R1.7 CC1(CC1)CO WX640226 [0,0,0,1,0,0|2,0,0]=3 26 B6R1.8 CC1CC1CO WX640291 [0,0,0,1,0,0|2,0,0]=3 27 B6R1.8 C[C@@H]1C[C@H]1CN WX601406 [0,0,0,1,0,0|3,0,0]=4 28 B6R1.8 C[C@H]1C[C@@H]1CO WX641112 [0,0,0,1,0,0|2,0,0]=3 29 B5R0.1 CC(C)CNN WX684055 [1,1,0,0,0,0|2,0,0]=4 30 B5R0.1 CC(CNN)O WX684013 [1,1,0,0,0,0|1,0,0]=3 31 B5R0.1 CC(CNN)O WX684431 [1,1,0,0,0,0|1,0,0]=3 32 B5R0.1 C[C@H](CC=C)O WX685032 [1,1,0,0,0,0|1,0,0]=3 33 B5R0.4 CC(C)(CN)O WX600104 [1,1,0,0,0,0|1,0,0]=3 34 B5R0.4 CC(CN)(F)F WX600332 [1,1,0,0,0,0|2,0,0]=4 35 B5R0.5 CC(C(=N)N)O WX619923 [1,1,0,0,0,0|1,0,1]=4 36 B5R0.2 C#CCCCN WX600312 [1,1,0,0,0,0|2,0,0]=4 37 B5R0.2 C(CN)CNN WX684011 [1,1,0,0,0,0|2,0,0]=4 38 B5R0.2 C(CNN)CO WX684063 [1,1,0,0,0,0|1,0,0]=3 39 B5R0.2 COCCNN WX684059 [1,1,0,0,0,0|2,0,0]=4 40 B7R0.2 CC(C)C[C@H](CO)N WX600172 [0,2,0,0,0,0|2,0,0]=4 41 B7R0.5 CC(C)C(COC)N WX600059 [0,2,0,0,0,0|2,0,0]=4 42 B7R0.5 CCOC(C(F)F)O WX642031 [0,2,0,0,0,0|2,0,0]=4 43 B5R1.2 C1C(=O)CO1 WX625042 [1,0,0,1,0,0|0,0,2]=4 44 B5R1.2 C1C(CN1)F WX604199 [1,0,0,1,0,0|2,0,0]=4 45 B5R1.2 C1C(CN1)O WX604205 [1,0,0,1,0,0|1,0,0]=3 46 B5R1.2 C1C(CO1)N WX604200 [1,0,0,1,0,0|1,0,0]=3 47 B5R1.2 C1CC(C1)O WX642079 [1,0,0,1,0,0|1,0,0]=3 48 B5R1.2 CC1CCN1 WX604557 [1,0,0,1,0,0|2,0,0]=4 49 B5R1.2 CC1CNC1 WX604558 [1,0,0,1,0,0|2,0,0]=4 50 B5R1.3 C1CC1CO WX640290 [1,0,0,1,0,0|1,0,0]=3 51 B5R1.4 CC1CC1N WX604181 [1,0,0,1,0,0|2,0,0]=4 52 B5R1.4 CC1CC1N WX604564 [1,0,0,1,0,0|2,0,0]=4 53 B5R1.4 C[C@@H]1C[C@H]1N WX601308 [1,0,0,1,0,0|2,0,0]=4 54 B5R1.5 CC1(CC1)N WX600041 [1,0,0,1,0,0|2,0,0]=4 55 B5R1.5 CC1(CC1)N WX604565 [1,0,0,1,0,0|2,0,0]=4 56 B5R1.1 C1CNOC1 WX604361 [1,0,0,1,0,0|1,0,0]=3 57 B7R1.1 C1CC(NC1)CO WX640259 [0,1,0,1,0,0|2,0,0]=4 58 B7R1.1 C1CNCC1CO WX640045 [0,1,0,1,0,0|2,0,0]=4 59 B7R1.1 C1COCC1C#N WX684050 [0,1,0,1,0,0|2,0,0]=4 60 B7R1.1 COC1CCNC1 WX604634 [0,1,0,1,0,0|2,0,0]=4 61 B7R1.2 C1C(COC1=O)N WXC01359 [0,1,0,1,0,0|1,0,1]=4 62 B7R1.2 C1C[C@@H](C[C@@H]1N)O WX600013 [0,1,0,1,0,0|2,0,0]=4 63 B7R1.2 C1C[C@@H](C[C@H]1N)O WX600233 [0,1,0,1,0,0|2,0,0]=4 64 B7R1.2 C1C[C@H](C[C@@H]1N)O WX600015 [0,1,0,1,0,0|2,0,0]=4 65 B7R1.2 C1C[C@H](C[C@@H]1N)O WX600109 [0,1,0,1,0,0|2,0,0]=4 66 B7R1.2 C1C[C@H](C[C@@H]1N)O WX600355 [0,1,0,1,0,0|2,0,0]=4 67 B7R1.2 C1C[C@H](C[C@H]1N)O WX600108 [0,1,0,1,0,0|2,0,0]=4 68 B7R1.2 C1C[C@H](C[C@H]1N)O WX600234 [0,1,0,1,0,0|2,0,0]=4 69 B7R1.2 C1[C@@H](CNC1=O)O WX650011 [0,1,0,1,0,0|1,0,1]=4 70 B7R1.2 CN1CCC(C1)O WX642149 [0,1,0,1,0,0|2,0,0]=4 71 B7R1.2 C[C@@H]1C[C@@H](CN1)O WX601206 [0,1,0,1,0,0|2,0,0]=4 72 B7R1.2 C[C@@H]1C[C@H](CN1)O WX601205 [0,1,0,1,0,0|2,0,0]=4 73 B7R1.3 C1CC(COC1)O WX642095 [0,1,0,1,0,0|1,0,0]=3 74 B7R1.3 C1COCCC1I WXC01153 [0,1,0,1,0,0|2,0,0]=4 75 B7R1.3 C1COCCC1N WX604186 [0,1,0,1,0,0|2,0,0]=4 76 B7R1.3 C1CSCCC1O WXC04166 [0,1,0,1,0,0|1,1,0]=4 77 B7R1.3 C1C[C@H](CNC1)O WX604192 [0,1,0,1,0,0|2,0,0]=4 78 B7R1.3 CC1COCCN1 WX604493 [0,1,0,1,0,0|2,0,0]=4 79 B7R1.3 C[C@@H]1COCCN1 WX604100 [0,1,0,1,0,0|2,0,0]=4 80 B7R1.3 C[C@H]1COCCN1 WX604204 [0,1,0,1,0,0|2,0,0]=4 81 B7R1.4 C1C[C@H]([C@@H](C1)O)N WX604346 [0,1,0,1,0,0|2,0,0]=4 82 B7R1.4 C1[C@@H]([C@H](CN1)F)O WX601067 [0,1,0,1,0,0|2,0,0]=4 83 B7R1.4 C1[C@@H]([C@H](CO1)O)N WX604241 [0,1,0,1,0,0|1,0,0]=3 84 B7R1.4 C1[C@H]([C@@H](CO1)F)O WX641036 [0,1,0,1,0,0|1,0,0]=3 85 B7R1.4 C1[C@H]([C@@H](CO1)O)N WX601208 [0,1,0,1,0,0|1,0,0]=3 86 B7R1.4 C1[C@H]([C@H](CN1)F)O WX601096 [0,1,0,1,0,0|2,0,0]=4 87 B7R1.4 C1[C@H]([C@H](CO1)F)N WXC03777 [0,1,0,1,0,0|2,0,0]=4 88 B7R1.4 CC1CNCC1O WX642148 [0,1,0,1,0,0|2,0,0]=4 89 B7R1.4 C[C@@H]1[C@@H](CCO1)N WX601243 [0,1,0,1,0,0|2,0,0]=4 90 B7R1.4 C[C@H]1CCC[C@@H]1O WX641033 [0,1,0,1,0,0|2,0,0]=4 91 B7R1.4 C[C@H]1CCC[C@H]1O WX641034 [0,1,0,1,0,0|2,0,0]=4 92 B7R1.4 C[C@H]1CNC[C@@H]1O WX642072 [0,1,0,1,0,0|2,0,0]=4 93 B7R1.4 C[C@H]1CNC[C@H]1O WX601066 [0,1,0,1,0,0|2,0,0]=4 94 B7R1.4 C[C@H]1COC[C@@H]1O WX641037 [0,1,0,1,0,0|1,0,0]=3 95 B7R1.4 C[C@H]1COC[C@H]1O WX641035 [0,1,0,1,0,0|1,0,0]=3 96 B7R1.6 COCC1CNC1 WXC03060 [0,1,0,1,0,0|2,0,0]=4 97 B7R1.10 C1C(CC1F)CO WXFC0195 [0,1,0,1,0,0|2,0,0]=4 98 B7R1.25 C1C(CN1)(CO)F WX601173 [0,1,0,1,0,0|2,0,0]=4 99 B7R1.25 CC1(CNC1)CO WX601290 [0,1,0,1,0,0|2,0,0]=4 100 B7R1.25 CC1(COC1)CN WX603082 [0,1,0,1,0,0|2,0,0]=4 101 B7R1.14 CC1(CCNC1)O WX644011 [0,1,0,1,0,0|2,0,0]=4 102 B7R1.29 C1CC1(CO)CF WX640001 [0,1,0,1,0,0|2,0,0]=4