0 B4R0.2 C=CCNN WX684058 [0,0,0,0,0,0|2,0,2]=4 1 B4R0.2 CNCCCl WX600220 [0,0,0,0,0,0|2,0,0]=2 2 B5R0.1 C(CF)C(=O)O WX610266 [0,1,0,0,0,0|1,1,1]=4 3 B5R0.1 CC(=O)CNC WX600212 [0,1,0,0,0,0|1,1,1]=4 4 B5R0.1 CC(C)CNN WX684055 [0,1,0,0,0,0|2,0,0]=3 5 B5R0.1 CC(CNN)O WX684013 [0,1,0,0,0,0|2,0,0]=3 6 B5R0.1 CC(CNN)O WX684431 [0,1,0,0,0,0|2,0,0]=3 7 B5R0.1 CCCC(=N)N WX619909 [0,1,0,0,0,0|1,0,1]=3 8 B5R0.1 C[C@H](CC=C)O WX685032 [0,1,0,0,0,0|1,0,1]=3 9 B5R0.2 C#CCCCN WX600312 [0,1,0,0,0,0|1,0,1]=3 10 B5R0.2 C(CN)CNN WX684011 [0,1,0,0,0,0|2,0,0]=3 11 B5R0.2 C(CNN)CO WX684063 [0,1,0,0,0,0|1,1,0]=3 12 B5R0.2 CCO\C=C/Br WX630081 [0,1,0,0,0,0|1,0,2]=4 13 B5R0.2 COCCNN WX684059 [0,1,0,0,0,0|2,0,0]=3 14 B5R0.3 CC(CN)CCl WX600337 [0,1,0,0,0,0|2,0,0]=3 15 B5R0.3 CCC(C)NN WX684015 [0,1,0,0,0,0|2,0,0]=3 16 B5R0.3 CC[C@H](C)C#C WXC02726 [0,1,0,0,0,0|1,0,1]=3 17 B5R1.1 C1C=CCN1 WXC02554 [0,0,0,1,0,0|1,0,2]=4 18 B5R1.1 C1CNOC1 WX604361 [0,0,0,1,0,0|1,1,0]=3 19 B5R1.2 C1C(=O)CN1 WXC03556 [0,0,0,1,0,0|1,1,1]=4 20 B5R1.2 C1C(=O)CO1 WX625042 [0,0,0,1,0,0|1,1,1]=4 21 B5R1.2 C1C(CN1)F WX604199 [0,0,0,1,0,0|2,0,0]=3 22 B5R1.2 C1C(CN1)O WX604205 [0,0,0,1,0,0|1,1,0]=3 23 B5R1.2 C1C(CO1)N WX604200 [0,0,0,1,0,0|2,0,0]=3 24 B5R1.2 C1CC(C1)O WX642079 [0,0,0,1,0,0|0,1,0]=2 25 B5R1.2 CC1CCN1 WX604557 [0,0,0,1,0,0|1,0,0]=2 26 B5R1.2 CC1CNC1 WX604558 [0,0,0,1,0,0|2,0,0]=3 27 B5R1.3 C1CC1CO WX640290 [0,0,0,1,0,0|0,1,0]=2 28 B5R1.3 C1CC1NN WXC03921 [0,0,0,1,0,0|2,0,0]=3 29 B5R1.3 CNC1CC1 WX600338 [0,0,0,1,0,0|2,0,0]=3 30 B5R1.3 CNC1CC1 WX604563 [0,0,0,1,0,0|2,0,0]=3 31 B5R1.4 CC1CC1N WX604181 [0,0,0,1,0,0|1,0,0]=2 32 B5R1.4 CC1CC1N WX604564 [0,0,0,1,0,0|1,0,0]=2 33 B5R1.4 C[C@@H]1C[C@H]1N WX601308 [0,0,0,1,0,0|1,0,0]=2 34 B4R0.1 CC(C)NN WX684009 [1,1,0,0,0,0|2,0,0]=4 35 B4R0.1 CCC(=N)N WX619910 [1,1,0,0,0,0|1,0,1]=4 36 B6R0.1 CCNC(=O)CCl WX630212 [0,2,0,0,0,0|1,0,1]=4 37 B6R0.2 C[C@@H](CC(=O)O)N WX665057 [0,2,0,0,0,0|0,1,1]=4 38 B6R0.4 CC(=C)CCCBr WX630324 [0,2,0,0,0,0|1,0,0]=3 39 B6R0.4 CC(=C)CCCO WX640339 [0,2,0,0,0,0|0,1,0]=3 40 B6R0.5 CC(C)(C)CCN WXC00272 [0,2,0,0,0,0|1,0,0]=3 41 B6R0.5 CC(C)(CNC)O WXC03436 [0,2,0,0,0,0|1,1,0]=4 42 B6R0.5 CS(=O)(=O)CCCl WX630255 [0,2,0,0,0,0|2,0,0]=4 43 B6R0.5 CS(=O)(=O)CCN WX600129 [0,2,0,0,0,0|2,0,0]=4 44 B6R0.6 C(CCl)OCC#N WX630277 [0,2,0,0,0,0|1,0,1]=4 45 B6R0.8 C(C(CN)(F)F)N WX600135 [0,2,0,0,0,0|2,0,0]=4 46 B6R0.8 CC(C)(CBr)OC WX630267 [0,2,0,0,0,0|2,0,0]=4 47 B6R0.8 CCC(C)(C)NN WX684014 [0,2,0,0,0,0|2,0,0]=4 48 B6R0.8 CCS(=O)(=O)CCl WX630306 [0,2,0,0,0,0|2,0,0]=4 49 B6R0.9 C(C(CO)CO)O WXC00661 [0,2,0,0,0,0|1,1,0]=4 50 B4R1.1 C1CNC1 WX604260 [1,0,0,1,0,0|1,0,0]=3 51 B4R1.2 C1CC1N WX604562 [1,0,0,1,0,0|1,0,0]=3 52 B6R1.2 C1CNCC1F WX604452 [0,1,0,1,0,0|1,0,0]=3 53 B6R1.2 C1CNCC1O WX642147 [0,1,0,1,0,0|0,1,0]=3 54 B6R1.2 C1COCC1I WX630128 [0,1,0,1,0,0|0,1,0]=3 55 B6R1.2 C1COCC1N WX604190 [0,1,0,1,0,0|0,1,0]=3 56 B6R1.2 C1COC[C@@H]1O WX642080 [0,1,0,1,0,0|0,1,0]=3 57 B6R1.2 C1COC[C@H]1N WX604612 [0,1,0,1,0,0|0,1,0]=3 58 B6R1.2 C1CSCC1O WX642050 [0,1,0,1,0,0|0,0,0]=2 59 B6R1.2 CC1CCCN1 WX604546 [0,1,0,1,0,0|1,0,0]=3 60 B6R1.2 CC1CCNC1 WX604072 [0,1,0,1,0,0|1,0,0]=3 61 B6R1.2 CC1CCNC1 WX604545 [0,1,0,1,0,0|1,0,0]=3 62 B6R1.3 C1CC1NC=O WX620003 [0,1,0,1,0,0|0,1,1]=4 63 B6R1.3 CNCC1CC1 WX600339 [0,1,0,1,0,0|1,0,0]=3 64 B6R1.5 C1C(CC1F)N WX600329 [0,1,0,1,0,0|1,0,0]=3 65 B6R1.5 C1C(CC1O)N WX600008 [0,1,0,1,0,0|0,1,0]=3 66 B6R1.5 CC1CC(C1)N WX600002 [0,1,0,1,0,0|1,0,0]=3 67 B6R1.5 CN1CC(C1)O WX642063 [0,1,0,1,0,0|1,1,0]=4 68 B6R1.5 CN1CC(C1)O WX642150 [0,1,0,1,0,0|1,1,0]=4 69 B6R1.8 CC1CC1CO WX640291 [0,1,0,1,0,0|0,1,0]=3 70 B6R1.8 C[C@@H]1C[C@H]1CN WX601406 [0,1,0,1,0,0|1,0,0]=3 71 B6R1.8 C[C@H]1C[C@@H]1CO WX641112 [0,1,0,1,0,0|0,1,0]=3 72 B6R1.9 C1C(C1(F)F)N WX601170 [0,1,0,1,0,0|2,0,0]=4 73 B6R1.10 C1C(CN1)(F)F WX604299 [0,1,0,1,0,0|2,0,0]=4 74 B6R1.10 CC1(CCC1)N WXC00635 [0,1,0,1,0,0|1,0,0]=3 75 B6R1.10 CC1(CNC1)F WX604673 [0,1,0,1,0,0|2,0,0]=4 76 B6R1.10 CC1(CNC1)O WX604685 [0,1,0,1,0,0|1,1,0]=4 77 B6R1.11 B(C1CC1)(O)O WX658003 [0,1,0,1,0,0|1,1,0]=4 78 B6R1.11 C1CC1C(=N)N WX619908 [0,1,0,1,0,0|1,0,1]=4 79 B6R1.11 C1CC1C(=N)N WX684410 [0,1,0,1,0,0|1,0,1]=4 80 B6R1.11 CC(C1CC1)O WX642143 [0,1,0,1,0,0|0,1,0]=3 81 B6R1.11 C[C@@H](C1CC1)N WX600160 [0,1,0,1,0,0|1,0,0]=3 82 B6R1.11 C[C@H](C1CC1)N WX600040 [0,1,0,1,0,0|1,0,0]=3 83 B6R1.11 C[C@H](C1CC1)N WXC03224 [0,1,0,1,0,0|1,0,0]=3 84 B6R1.1 C1CCNNC1 WX604649 [0,1,0,1,0,0|1,0,0]=3 85 B6R1.1 C1CCNNC1 WX604739 [0,1,0,1,0,0|1,0,0]=3 86 B6R1.1 C1CCONC1 WX604297 [0,1,0,1,0,0|0,1,0]=3 87 B6R1.6 C1C(CN1)C#N WX604703 [0,1,0,1,0,0|1,0,1]=4 88 B6R1.6 C1C(CO1)CO WX640003 [0,1,0,1,0,0|0,1,0]=3 89 B6R1.6 C1CC(C1)CN WX600100 [0,1,0,1,0,0|1,0,0]=3 90 B6R1.7 C1CC1(CF)N WX600317 [0,1,0,1,0,0|1,0,0]=3 91 B6R1.7 C1CC1(CN)O WX600001 [0,1,0,1,0,0|1,0,0]=3 92 B6R1.7 C1CC1(CO)F WXFC0177 [0,1,0,1,0,0|0,1,0]=3 93 B6R1.7 C1CC1(CO)O WX640334 [0,1,0,1,0,0|0,1,0]=3 94 B6R1.7 CC1(CC1)CN WX600116 [0,1,0,1,0,0|1,0,0]=3 95 B6R1.7 CC1(CC1)CO WX640226 [0,1,0,1,0,0|0,1,0]=3