0 B6R0.2 C[C@@H](CC(=O)O)N WX665057 [0,0,0,0,0,0|3,0,0]=3 1 B6R0.2 C\C(=C\C(=O)O)\I WXC02281 [0,0,0,0,0,0|3,0,1]=4 2 B5R0.1 C(CF)C(=O)O WX610266 [1,0,0,0,0,0|3,0,0]=4 3 B5R0.1 CC(=O)CNC WX600212 [1,0,0,0,0,0|2,0,0]=3 4 B5R0.1 CC(=O)\C=N\O WX690228 [1,0,0,0,0,0|3,0,0]=4 5 B5R0.1 CC(C)CNN WX684055 [1,0,0,0,0,0|3,0,0]=4 6 B5R0.1 CCCC(=N)N WX619909 [1,0,0,0,0,0|3,0,0]=4 7 B5R0.1 C[C@H](CC=C)O WX685032 [1,0,0,0,0,0|2,0,1]=4 8 B7R0.2 CC(C)C[C@H](CO)N WX600172 [0,1,0,0,0,0|2,0,1]=4 9 B7R1.2 C1C(COC1=O)N WXC01359 [0,0,0,1,0,0|3,0,0]=4 10 B7R1.2 C1[C@@H](CNC1=O)O WX650011 [0,0,0,1,0,0|3,0,0]=4 11 B7R1.2 CC1CC(=O)NC1 WXC00781 [0,0,0,1,0,0|2,0,0]=3 12 B7R1.12 C1[C@H]([C@@H]1F)C(=O)O WX610333 [0,0,0,1,0,0|3,0,0]=4 13 B7R1.12 C1[C@H]([C@H]1F)C(=O)O WX610334 [0,0,0,1,0,0|3,0,0]=4 14 B7R1.12 CC1CC1C(=O)O WX610273 [0,0,0,1,0,0|2,0,0]=3 15 B7R1.12 C[C@H]1C[C@@H]1C(=O)O WX611005 [0,0,0,1,0,0|2,0,0]=3 16 B5R0.5 CC(C(=N)N)O WX619923 [0,0,0,0,1,0|3,0,0]=4 17 B5R0.5 CN(C)C(=N)N WX619912 [0,0,0,0,1,0|3,0,0]=4 18 B5R0.5 CN(C)C(=N)N WX619935 [0,0,0,0,1,0|3,0,0]=4 19 B7R0.6 CC(C)\C=C\[N+](=O)[O-] WX685406 [0,0,0,0,0,1|3,0,0]=4 20 B4R0.1 CC(C)NN WX684009 [2,0,0,0,0,0|2,0,0]=4 21 B4R0.1 CCC(=N)N WX619910 [2,0,0,0,0,0|2,0,0]=4 22 B6R0.1 CCNC(=O)CCl WX630212 [1,1,0,0,0,0|1,0,0]=3 23 B6R0.1 CNCC(=O)NC WX600331 [1,1,0,0,0,0|2,0,0]=4 24 B6R0.4 CC(=C)CCCBr WX630324 [1,1,0,0,0,0|2,0,0]=4 25 B6R0.4 CC(=C)CCCO WX640339 [1,1,0,0,0,0|2,0,0]=4 26 B6R0.5 CC(C)(CNC)O WXC03436 [1,1,0,0,0,0|2,0,0]=4 27 B6R0.7 CC(=O)C(C)(C)N WX600266 [0,1,0,0,1,0|0,0,0]=2 28 B6R0.7 CC(C)(C(=N)N)O WXC00585 [0,1,0,0,1,0|2,0,0]=4 29 B6R0.7 CC(C)(C)C(=N)N WX619906 [0,1,0,0,1,0|2,0,0]=4 30 B6R0.7 CC(C)(C)C(=N)N WX619940 [0,1,0,0,1,0|2,0,0]=4 31 B8R0.23 CC(C)N(C)CC(=O)O WX610392 [0,1,0,0,0,1|2,0,0]=4 32 B8R0.16 CC(=O)OC(C#N)C#N WX683037 [0,2,0,0,0,0|0,0,2]=4 33 B6R1.2 CC1CCCN1 WX604546 [1,0,0,1,0,0|1,0,1]=4 34 B6R1.2 CC1CCNC1 WX604072 [1,0,0,1,0,0|2,0,0]=4 35 B6R1.2 CC1CCNC1 WX604545 [1,0,0,1,0,0|2,0,0]=4 36 B6R1.3 C1CC1NC=O WX620003 [1,0,0,1,0,0|1,0,0]=3 37 B6R1.3 CNCC1CC1 WX600339 [1,0,0,1,0,0|2,0,0]=4 38 B8R1.23 CC1CC(C1)C(=O)O WX610004 [0,0,0,1,0,1|2,0,0]=4 39 B8R1.23 C[C@H]1C[C@@H](C1)C(=O)O WX610006 [0,0,0,1,0,1|2,0,0]=4 40 B8R1.23 C[C@H]1C[C@H](C1)C(=O)O WX610005 [0,0,0,1,0,1|2,0,0]=4 41 B8R1.1 C1C(COC1=O)CO WX640247 [0,1,0,1,0,0|2,0,0]=4 42 B8R1.1 C1CC(=O)CC1C#N WX683083 [0,1,0,1,0,0|1,0,1]=4 43 B8R1.1 C1CC(=O)O[C@H]1CO WX640049 [0,1,0,1,0,0|0,0,0]=2 44 B8R1.1 CCC1COC(=O)N1 WX619211 [0,1,0,1,0,0|2,0,0]=4 45 B8R1.1 C[C@H]1CC[C@H](O1)CO WX641069 [0,1,0,1,0,0|0,0,2]=4 46 B8R1.4 CC1CC(=O)CCN1 WX604553 [0,1,0,1,0,0|1,0,0]=3 47 B8R1.4 CC1CNCC(=O)N1 WX604173 [0,1,0,1,0,0|1,0,0]=3 48 B8R1.4 C[C@@H]1CNC[C@H](O1)C WXC01422 [0,1,0,1,0,0|1,0,1]=4 49 B8R1.54 C1CC1[C@@H](C(=O)O)N WX665055 [0,1,0,1,0,0|2,0,0]=4 50 B8R2.18 C1[C@H]2[C@@H]1CC(=O)C2 WXC00264 [0,0,0,2,0,0|1,0,0]=3 51 B8R0.28 CC(C)CNCC(=O)O WXC00158 [0,0,0,0,0,2|2,0,0]=4