0 B5R0.3 CC(CN)CCl WX600337 [0,0,0,0,0,0|3,0,1]=4 1 B5R0.3 CCC(C)NN WX684015 [0,0,0,0,0,0|3,0,0]=3 2 B5R0.3 CC[C@H](C)C#C WXC02726 [0,0,0,0,0,0|1,0,2]=3 3 B4R0.1 CC(C)NN WX684009 [1,0,0,0,0,0|3,0,0]=4 4 B4R0.1 CCC(=N)N WX619910 [1,0,0,0,0,0|2,0,1]=4 5 B4R0.2 C=CCNN WX684058 [1,0,0,0,0,0|2,0,0]=3 6 B4R0.2 CNCCCl WX600220 [1,0,0,0,0,0|2,0,1]=4 7 B6R0.3 C([C@H](C(=O)N)N)O WX665005 [0,1,0,0,0,0|3,0,0]=4 8 B6R0.8 CCC(C)(C)NN WX684014 [0,1,0,0,0,0|3,0,0]=4 9 B6R0.9 C(C(CO)CO)O WXC00661 [0,1,0,0,0,0|2,0,1]=4 10 B6R1.2 C1CNCC1F WX604452 [0,0,0,1,0,0|2,0,1]=4 11 B6R1.2 C1CNCC1O WX642147 [0,0,0,1,0,0|1,0,1]=3 12 B6R1.2 C1COCC1I WX630128 [0,0,0,1,0,0|2,0,1]=4 13 B6R1.2 C1COCC1N WX604190 [0,0,0,1,0,0|2,0,1]=4 14 B6R1.2 C1COC[C@@H]1O WX642080 [0,0,0,1,0,0|1,0,1]=3 15 B6R1.2 C1COC[C@H]1N WX604612 [0,0,0,1,0,0|2,0,1]=4 16 B6R1.2 C1CSCC1O WX642050 [0,0,0,1,0,0|1,0,1]=3 17 B6R1.2 CC1CCCN1 WX604546 [0,0,0,1,0,0|2,0,1]=4 18 B6R1.2 CC1CCNC1 WX604072 [0,0,0,1,0,0|2,0,1]=4 19 B6R1.2 CC1CCNC1 WX604545 [0,0,0,1,0,0|2,0,1]=4 20 B6R1.6 C1CC(C1)CN WX600100 [0,0,0,1,0,0|2,0,1]=4 21 B6R1.7 C1CC1(CF)N WX600317 [0,0,0,1,0,0|2,0,1]=4 22 B6R1.7 C1CC1(CN)O WX600001 [0,0,0,1,0,0|1,0,1]=3 23 B6R1.7 C1CC1(CO)F WXFC0177 [0,0,0,1,0,0|2,0,1]=4 24 B6R1.7 C1CC1(CO)O WX640334 [0,0,0,1,0,0|1,0,1]=3 25 B6R1.7 CC1(CC1)CN WX600116 [0,0,0,1,0,0|2,0,1]=4 26 B6R1.7 CC1(CC1)CO WX640226 [0,0,0,1,0,0|2,0,1]=4 27 B6R1.8 CC1CC1CO WX640291 [0,0,0,1,0,0|2,0,1]=4 28 B6R1.8 C[C@@H]1C[C@H]1CN WX601406 [0,0,0,1,0,0|2,0,1]=4 29 B6R1.8 C[C@H]1C[C@@H]1CO WX641112 [0,0,0,1,0,0|2,0,1]=4 30 B5R0.1 C(CF)C(=O)O WX610266 [1,1,0,0,0,0|1,0,1]=4 31 B5R0.1 CC(CNN)O WX684013 [1,1,0,0,0,0|1,0,1]=4 32 B5R0.1 CC(CNN)O WX684431 [1,1,0,0,0,0|1,0,1]=4 33 B5R0.1 C[C@H](CC=C)O WX685032 [1,1,0,0,0,0|0,0,0]=2 34 B5R0.4 CC(C)(CN)O WX600104 [1,1,0,0,0,0|1,0,1]=4 35 B5R0.5 CC(C(=N)N)O WX619923 [1,1,0,0,0,0|1,0,0]=3 36 B5R0.2 C#CCCCN WX600312 [1,1,0,0,0,0|0,0,2]=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|2,0,0]=4 39 B5R0.2 CCO\C=C/Br WX630081 [1,1,0,0,0,0|1,0,0]=3 40 B5R0.2 COCCNN WX684059 [1,1,0,0,0,0|2,0,0]=4 41 B7R0.5 C(CN)[C@@H](C(=O)O)N WX665073 [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|1,0,1]=4 43 B7R0.7 CCOC(=O)\C=C\I WX618027 [0,2,0,0,0,0|0,0,2]=4 44 B5R1.2 C1C(CN1)O WX604205 [1,0,0,1,0,0|1,0,1]=4 45 B5R1.2 C1CC(C1)O WX642079 [1,0,0,1,0,0|0,0,1]=3 46 B5R1.2 CC1CCN1 WX604557 [1,0,0,1,0,0|1,0,1]=4 47 B5R1.4 CC1CC1N WX604181 [1,0,0,1,0,0|1,0,1]=4 48 B5R1.4 CC1CC1N WX604564 [1,0,0,1,0,0|1,0,1]=4 49 B5R1.4 C[C@@H]1C[C@H]1N WX601308 [1,0,0,1,0,0|1,0,1]=4 50 B5R1.5 CC1(CC1)N WX600041 [1,0,0,1,0,0|1,0,1]=4 51 B5R1.5 CC1(CC1)N WX604565 [1,0,0,1,0,0|1,0,1]=4 52 B5R1.1 C1C=CCN1 WXC02554 [1,0,0,1,0,0|1,0,0]=3 53 B5R1.1 C1CNOC1 WX604361 [1,0,0,1,0,0|2,0,0]=4 54 B7R1.1 C1CC(NC1)CO WX640259 [0,1,0,1,0,0|1,0,1]=4 55 B7R1.1 C1CNCC1CO WX640045 [0,1,0,1,0,0|1,0,1]=4 56 B7R1.1 C1COCC1C#N WX684050 [0,1,0,1,0,0|1,0,1]=4 57 B7R1.1 CNc1ccon1 WX606025 [0,1,0,1,0,0|1,0,1]=4 58 B7R1.1 CNc1ccon1 WX606070 [0,1,0,1,0,0|1,0,1]=4 59 B7R1.1 CNc1ncco1 WX606024 [0,1,0,1,0,0|1,0,1]=4 60 B7R1.1 COC1CCNC1 WX604634 [0,1,0,1,0,0|1,0,1]=4 61 B7R1.1 c1c(ocn1)CO WX640330 [0,1,0,1,0,0|1,0,1]=4 62 B7R1.1 c1cnoc1CBr WX630186 [0,1,0,1,0,0|1,0,1]=4 63 B7R1.1 c1cnoc1CN WX603009 [0,1,0,1,0,0|1,0,1]=4 64 B7R1.1 c1conc1CBr WX630236 [0,1,0,1,0,0|1,0,1]=4 65 B7R1.1 c1conc1CN WX603172 [0,1,0,1,0,0|1,0,1]=4 66 B7R1.2 C1C[C@@H](C[C@@H]1N)O WX600013 [0,1,0,1,0,0|0,0,2]=4 67 B7R1.2 C1C[C@@H](C[C@H]1N)O WX600233 [0,1,0,1,0,0|0,0,2]=4 68 B7R1.2 C1C[C@H](C[C@@H]1N)O WX600015 [0,1,0,1,0,0|0,0,2]=4 69 B7R1.2 C1C[C@H](C[C@@H]1N)O WX600109 [0,1,0,1,0,0|0,0,2]=4 70 B7R1.2 C1C[C@H](C[C@@H]1N)O WX600355 [0,1,0,1,0,0|0,0,2]=4 71 B7R1.2 C1C[C@H](C[C@H]1N)O WX600108 [0,1,0,1,0,0|0,0,2]=4 72 B7R1.2 C1C[C@H](C[C@H]1N)O WX600234 [0,1,0,1,0,0|0,0,2]=4 73 B7R1.2 C1[C@@H](CNC1=O)O WX650011 [0,1,0,1,0,0|1,0,1]=4 74 B7R1.2 CN1CCC(C1)O WX642149 [0,1,0,1,0,0|0,0,2]=4 75 B7R1.2 C[C@@H]1C[C@@H](CN1)O WX601206 [0,1,0,1,0,0|1,0,1]=4 76 B7R1.2 C[C@@H]1C[C@H](CN1)O WX601205 [0,1,0,1,0,0|1,0,1]=4 77 B7R1.3 C1CC(COC1)O WX642095 [0,1,0,1,0,0|0,0,2]=4 78 B7R1.3 C1COC(=O)C=C1 WX685450 [0,1,0,1,0,0|0,0,2]=4 79 B7R1.3 C1CSCCC1O WXC04166 [0,1,0,1,0,0|0,0,2]=4 80 B7R1.3 C1C[C@H](CNC1)O WX604192 [0,1,0,1,0,0|0,0,2]=4 81 B7R1.4 C1CNC(=O)[C@@H]1N WX604202 [0,1,0,1,0,0|2,0,0]=4 82 B7R1.4 C1CNC(=O)[C@H]1O WX642165 [0,1,0,1,0,0|1,0,0]=3 83 B7R1.4 C1COC(=O)C1N WXC03217 [0,1,0,1,0,0|2,0,0]=4 84 B7R1.4 C1C[C@H]([C@@H](C1)O)N WX604346 [0,1,0,1,0,0|0,0,2]=4 85 B7R1.4 C1[C@@H]([C@H](CN1)F)O WX601067 [0,1,0,1,0,0|1,0,1]=4 86 B7R1.4 C1[C@@H]([C@H](CO1)O)N WX604241 [0,1,0,1,0,0|1,0,1]=4 87 B7R1.4 C1[C@H]([C@@H](CO1)F)O WX641036 [0,1,0,1,0,0|1,0,1]=4 88 B7R1.4 C1[C@H]([C@@H](CO1)O)N WX601208 [0,1,0,1,0,0|1,0,1]=4 89 B7R1.4 C1[C@H]([C@H](CN1)F)O WX601096 [0,1,0,1,0,0|1,0,1]=4 90 B7R1.4 CC1CNCC1O WX642148 [0,1,0,1,0,0|0,0,2]=4 91 B7R1.4 C[C@H]1CCC[C@@H]1O WX641033 [0,1,0,1,0,0|0,0,2]=4 92 B7R1.4 C[C@H]1CCC[C@H]1O WX641034 [0,1,0,1,0,0|0,0,2]=4 93 B7R1.4 C[C@H]1CNC[C@@H]1O WX642072 [0,1,0,1,0,0|0,0,2]=4 94 B7R1.4 C[C@H]1CNC[C@H]1O WX601066 [0,1,0,1,0,0|0,0,2]=4 95 B7R1.4 C[C@H]1COC[C@@H]1O WX641037 [0,1,0,1,0,0|0,0,2]=4 96 B7R1.4 C[C@H]1COC[C@H]1O WX641035 [0,1,0,1,0,0|0,0,2]=4 97 B7R1.12 CC1CC1C(=O)O WX610273 [0,1,0,1,0,0|2,0,0]=4 98 B7R1.12 C[C@H]1C[C@@H]1C(=O)O WX611005 [0,1,0,1,0,0|2,0,0]=4 99 B7R1.19 C1CC1(C(=O)N)N WX600316 [0,1,0,1,0,0|2,0,0]=4 100 B7R1.19 C1CC1(C(=O)O)F WXFC0175 [0,1,0,1,0,0|2,0,0]=4 101 B7R1.19 CC(=O)C1(CC1)F WX625133 [0,1,0,1,0,0|1,0,1]=4 102 B7R1.19 CC1(CC1)C(=O)O WX610274 [0,1,0,1,0,0|2,0,0]=4 103 B7R1.14 CC1(CCNC1)O WX644011 [0,1,0,1,0,0|1,0,1]=4 104 B7R1.29 C1CC1(CO)CF WX640001 [0,1,0,1,0,0|1,0,1]=4