0 B6R0.2 C[C@@H](CC(=O)O)N WX665057 [0,0,0,0,0,0|1,0,0]=1 1 B6R0.2 C\C(=C\C(=O)O)\I WXC02281 [0,0,0,0,0,0|1,0,2]=3 2 B5R0.1 C(CF)C(=O)O WX610266 [1,0,0,0,0,0|1,0,0]=2 3 B5R0.1 CC(=O)CNC WX600212 [1,0,0,0,0,0|2,0,0]=3 4 B5R0.1 CC(C)CNN WX684055 [1,0,0,0,0,0|2,0,0]=3 5 B5R0.1 CC(CNN)O WX684013 [1,0,0,0,0,0|3,0,0]=4 6 B5R0.1 CC(CNN)O WX684431 [1,0,0,0,0,0|3,0,0]=4 7 B5R0.1 CCCC(=N)N WX619909 [1,0,0,0,0,0|2,0,0]=3 8 B5R0.1 C[C@H](CC=C)O WX685032 [1,0,0,0,0,0|2,0,0]=3 9 B7R0.2 CC(C)C[C@H](CO)N WX600172 [0,1,0,0,0,0|1,0,1]=3 10 B7R1.2 C1C(=CC(=O)O1)Br WXC00644 [0,0,0,1,0,0|1,0,2]=4 11 B7R1.2 C1C(COC1=O)N WXC01359 [0,0,0,1,0,0|1,0,0]=2 12 B7R1.2 C1C[C@@H](C[C@@H]1N)O WX600013 [0,0,0,1,0,0|2,0,1]=4 13 B7R1.2 C1C[C@@H](C[C@H]1N)O WX600233 [0,0,0,1,0,0|2,0,1]=4 14 B7R1.2 C1C[C@H](C[C@@H]1N)O WX600015 [0,0,0,1,0,0|2,0,1]=4 15 B7R1.2 C1C[C@H](C[C@@H]1N)O WX600109 [0,0,0,1,0,0|2,0,1]=4 16 B7R1.2 C1C[C@H](C[C@@H]1N)O WX600355 [0,0,0,1,0,0|2,0,1]=4 17 B7R1.2 C1C[C@H](C[C@H]1N)O WX600108 [0,0,0,1,0,0|2,0,1]=4 18 B7R1.2 C1C[C@H](C[C@H]1N)O WX600234 [0,0,0,1,0,0|2,0,1]=4 19 B7R1.2 C1[C@@H](CNC1=O)O WX650011 [0,0,0,1,0,0|2,0,0]=3 20 B7R1.2 CC1CC(=O)NC1 WXC00781 [0,0,0,1,0,0|1,0,0]=2 21 B7R1.2 CN1CCC(C1)O WX642149 [0,0,0,1,0,0|2,0,1]=4 22 B7R1.2 C[C@@H]1C[C@@H](CN1)O WX601206 [0,0,0,1,0,0|2,0,1]=4 23 B7R1.2 C[C@@H]1C[C@H](CN1)O WX601205 [0,0,0,1,0,0|2,0,1]=4 24 B7R1.12 C1[C@H]([C@@H]1F)C(=O)O WX610333 [0,0,0,1,0,0|1,0,0]=2 25 B7R1.12 C1[C@H]([C@H]1F)C(=O)O WX610334 [0,0,0,1,0,0|1,0,0]=2 26 B7R1.12 CC1CC1C(=O)O WX610273 [0,0,0,1,0,0|0,0,0]=1 27 B7R1.12 C[C@H]1C[C@@H]1C(=O)O WX611005 [0,0,0,1,0,0|0,0,0]=1 28 B7R1.16 C1C(CS1(=O)=O)N WX600319 [0,0,0,1,0,0|2,0,1]=4 29 B5R0.5 CC(C(=N)N)O WX619923 [0,0,0,0,1,0|3,0,0]=4 30 B5R0.5 CN(C)C(=N)N WX619912 [0,0,0,0,1,0|3,0,0]=4 31 B5R0.5 CN(C)C(=N)N WX619935 [0,0,0,0,1,0|3,0,0]=4 32 B7R0.6 CC(C)\C=C\[N+](=O)[O-] WX685406 [0,0,0,0,0,1|1,0,2]=4 33 B4R0.1 CC(C)NN WX684009 [2,0,0,0,0,0|2,0,0]=4 34 B4R0.1 CCC(=N)N WX619910 [2,0,0,0,0,0|2,0,0]=4 35 B6R0.1 CCNC(=O)CCl WX630212 [1,1,0,0,0,0|2,0,0]=4 36 B6R0.1 CNCC(=O)NC WX600331 [1,1,0,0,0,0|2,0,0]=4 37 B6R0.3 C([C@H](C(=O)N)N)O WX665005 [1,1,0,0,0,0|2,0,0]=4 38 B6R0.3 CC(C)C(=N)NO WX619096 [1,1,0,0,0,0|1,0,1]=4 39 B6R0.3 CC(C)\C(=N\O)\N WX690138 [1,1,0,0,0,0|1,0,1]=4 40 B6R0.3 CNC(=O)C(=O)O WXC01945 [1,1,0,0,0,0|1,0,1]=4 41 B6R0.4 CC(=C)CCCBr WX630324 [1,1,0,0,0,0|2,0,0]=4 42 B6R0.4 CC(=C)CCCO WX640339 [1,1,0,0,0,0|2,0,0]=4 43 B6R0.5 CC(C)(C)CCN WXC00272 [1,1,0,0,0,0|1,0,1]=4 44 B6R0.5 CC(C)(CNC)O WXC03436 [1,1,0,0,0,0|2,0,0]=4 45 B6R0.7 CC(=O)C(C)(C)N WX600266 [0,1,0,0,1,0|1,0,0]=3 46 B6R0.7 CC(C)(C(=N)N)O WXC00585 [0,1,0,0,1,0|2,0,0]=4 47 B6R0.7 CC(C)(C)C(=N)N WX619906 [0,1,0,0,1,0|2,0,0]=4 48 B6R0.7 CC(C)(C)C(=N)N WX619940 [0,1,0,0,1,0|2,0,0]=4 49 B8R0.9 CC(C)CC\C(=N/O)\N WX690181 [0,1,0,0,0,1|1,0,0]=3 50 B8R0.9 C\C=C(/C)\C=C\C(=O)O WX610042 [0,1,0,0,0,1|0,0,2]=4 51 B8R0.23 CC(C)N(C)CC(=O)O WX610392 [0,1,0,0,0,1|0,0,0]=2 52 B8R0.29 CS(=O)(=O)CCC(=O)O WX610094 [0,1,0,0,0,1|2,0,0]=4 53 B6R1.2 C1COCC1I WX630128 [1,0,0,1,0,0|1,0,1]=4 54 B6R1.2 C1COCC1N WX604190 [1,0,0,1,0,0|1,0,1]=4 55 B6R1.2 C1COC[C@@H]1O WX642080 [1,0,0,1,0,0|1,0,1]=4 56 B6R1.2 C1COC[C@H]1N WX604612 [1,0,0,1,0,0|1,0,1]=4 57 B6R1.2 CC1CCNC1 WX604072 [1,0,0,1,0,0|1,0,1]=4 58 B6R1.2 CC1CCNC1 WX604545 [1,0,0,1,0,0|1,0,1]=4 59 B6R1.3 C1CC1NC=O WX620003 [1,0,0,1,0,0|1,0,0]=3 60 B6R1.3 CNCC1CC1 WX600339 [1,0,0,1,0,0|2,0,0]=4 61 B6R1.5 C1C(CC1O)N WX600008 [1,0,0,1,0,0|1,0,1]=4 62 B6R1.5 CC1CC(C1)N WX600002 [1,0,0,1,0,0|1,0,1]=4 63 B6R1.5 CN1CC(C1)O WX642063 [1,0,0,1,0,0|1,0,1]=4 64 B6R1.5 CN1CC(C1)O WX642150 [1,0,0,1,0,0|1,0,1]=4 65 B6R1.8 CC1CC1CO WX640291 [1,0,0,1,0,0|0,0,1]=3 66 B6R1.8 C[C@@H]1C[C@H]1CN WX601406 [1,0,0,1,0,0|1,0,1]=4 67 B6R1.8 C[C@H]1C[C@@H]1CO WX641112 [1,0,0,1,0,0|0,0,1]=3 68 B6R1.11 B(C1CC1)(O)O WX658003 [1,0,0,1,0,0|1,0,1]=4 69 B6R1.11 C1CC1C(=N)N WX619908 [1,0,0,1,0,0|2,0,0]=4 70 B6R1.11 C1CC1C(=N)N WX684410 [1,0,0,1,0,0|2,0,0]=4 71 B6R1.11 CC(C1CC1)O WX642143 [1,0,0,1,0,0|1,0,1]=4 72 B8R1.3 C[C@@H]1CC[C@@H](CN1)O WX601064 [0,0,0,1,0,1|1,0,1]=4 73 B8R1.3 C[C@@H]1CC[C@H](CN1)O WX601061 [0,0,0,1,0,1|1,0,1]=4 74 B8R1.3 C[C@@H]1CC[C@H](CN1)O WX601065 [0,0,0,1,0,1|1,0,1]=4 75 B8R1.3 C[C@H]1CC[C@@H](CN1)O WX601062 [0,0,0,1,0,1|1,0,1]=4 76 B8R1.3 C[C@H]1CC[C@H](CN1)O WX601063 [0,0,0,1,0,1|1,0,1]=4 77 B8R1.23 C1C(CC1F)C(=O)O WX610015 [0,0,0,1,0,1|1,0,0]=3 78 B8R1.23 C1C(CC1O)C(=O)O WX610009 [0,0,0,1,0,1|1,0,0]=3 79 B8R1.23 C1[C@@H](C[C@@H]1C(=O)O)O WX610012 [0,0,0,1,0,1|1,0,0]=3 80 B8R1.23 C=C1CC(C1)C(=O)O WX610003 [0,0,0,1,0,1|0,0,2]=4 81 B8R1.23 CC1CC(C1)C(=O)O WX610004 [0,0,0,1,0,1|0,0,0]=2 82 B8R1.23 CN1CC(C1)C(=O)O WX610403 [0,0,0,1,0,1|1,0,0]=3 83 B8R1.23 C[C@H]1C[C@@H](C1)C(=O)O WX610006 [0,0,0,1,0,1|0,0,0]=2 84 B8R1.23 C[C@H]1C[C@H](C1)C(=O)O WX610005 [0,0,0,1,0,1|0,0,0]=2 85 B8R1.77 C1C(C1(F)F)C(=O)O WX611688 [0,0,0,1,0,1|2,0,0]=4 86 B8R1.1 C1C(COC1=O)CO WX640247 [0,1,0,1,0,0|0,0,0]=2 87 B8R1.1 C1CC(=O)CC1C#N WX683083 [0,1,0,1,0,0|1,0,1]=4 88 B8R1.1 C1CC(=O)O[C@H]1CO WX640049 [0,1,0,1,0,0|2,0,0]=4 89 B8R1.1 C1CC(CC1CN)O WX601015 [0,1,0,1,0,0|1,0,1]=4 90 B8R1.1 CC1CCC(C1)CO WX641103 [0,1,0,1,0,0|1,0,1]=4 91 B8R1.1 CCC1COC(=O)N1 WX619211 [0,1,0,1,0,0|1,0,0]=3 92 B8R1.1 C[C@H]1C[C@H](NC1)CO WX601192 [0,1,0,1,0,0|1,0,1]=4 93 B8R1.4 CC1CC(=O)CCN1 WX604553 [0,1,0,1,0,0|1,0,0]=3 94 B8R1.4 CC1CNCC(=O)N1 WX604173 [0,1,0,1,0,0|2,0,0]=4 95 B8R1.54 C1CC1[C@@H](C(=O)O)N WX665055 [0,1,0,1,0,0|0,0,0]=2 96 B8R2.18 C1C2C1CC(C2)O WXC00265 [0,0,0,2,0,0|1,0,1]=4 97 B8R2.18 C1[C@H]2[C@@H]1CC(=O)C2 WXC00264 [0,0,0,2,0,0|1,0,0]=3 98 B8R0.28 CC(C)CNCC(=O)O WXC00158 [0,0,0,0,0,2|0,0,0]=2