0 B9R0.6 CCCC(O)C(C)C(C)O 7997AF [0,0,0,0,0,0|1,0,2]=3 1 B9R0.6 CCOC(=O)C(C)C(C)C 5234AE [0,0,0,0,0,0|1,0,0]=1 2 B8R0.3 CCOC(=O)C(N)C#N 3670AB [1,0,0,0,0,0|2,0,1]=4 3 B8R0.3 C\C=C\C(=O)C(C)CC Z6103 [1,0,0,0,0,0|1,0,1]=3 4 B8R0.5 CCCC(=O)CC(C)=O 3453AL [1,0,0,0,0,0|1,0,2]=4 5 B8R0.5 CCOC(=O)OC(C)I 9891AH [1,0,0,0,0,0|2,0,0]=3 6 B8R0.8 CCCCC(C)C(C)O 7994AF [1,0,0,0,0,0|1,0,1]=3 7 B10R0.36 CCOC(=O)C(F)(F)C(C)=O 1388AB [0,1,0,0,0,0|1,0,2]=4 8 B10R0.101 CCOC(=O)\C(C#N)=C(\C)O 3636AH [0,1,0,0,0,0|0,0,3]=4 9 B10R1.22 CC1CC(=O)C(C)C(=O)C1 6742AE [0,0,0,1,0,0|1,0,2]=4 10 B10R1.61 O=C(O)C1CCCCC1=O 9763AA [0,0,0,1,0,0|2,0,1]=4 11 B10R0.26 CCOC(=O)CC(O)C(C)C 5409AB [0,0,0,0,0,1|2,0,0]=3 12 B10R0.26 CCOC(=O)\C=C(\C)N(C)C X6683 [0,0,0,0,0,1|2,0,1]=4 13 B7R0.2 CC(C)CC(=O)CBr Y8593 [2,0,0,0,0,0|2,0,0]=4 14 B7R0.5 CCOC(=O)[C@H](C)Cl 9674AJ [2,0,0,0,0,0|1,0,0]=3 15 B7R0.10 CCC(C)C(=O)SC U625 [2,0,0,0,0,0|0,1,0]=3 16 B7R0.10 COC(=O)C(Br)CF 4787AD [2,0,0,0,0,0|2,0,0]=4 17 B7R0.10 COC(=O)C(C)C=O Z3080 [2,0,0,0,0,0|0,0,2]=4 18 B7R0.10 COC(=O)C(C)CN X3684 [2,0,0,0,0,0|1,0,0]=3 19 B7R0.10 COC(=O)C(N)CO 0759AB [2,0,0,0,0,0|1,0,0]=3 20 B7R0.10 COC(=O)C(O)OC 0175AB [2,0,0,0,0,0|2,0,0]=4 21 B7R0.16 CC(N)C(N)C(=O)O 2357AB [2,0,0,0,0,0|2,0,0]=4 22 B7R0.16 C[C@@H](N)[C@@H](N)C(=O)O 5485AC [2,0,0,0,0,0|2,0,0]=4 23 B7R0.16 C[C@@H](N)[C@H](N)C(=O)O 0965AB [2,0,0,0,0,0|2,0,0]=4 24 B7R0.16 C[C@H](N)[C@@H](N)C(=O)O 9929AB [2,0,0,0,0,0|2,0,0]=4 25 B7R0.16 C[C@H](N)[C@H](N)C(=O)O 3674AA [2,0,0,0,0,0|2,0,0]=4 26 B7R0.7 CCCC(=S)OCC R545 [2,0,0,0,0,0|0,1,0]=3 27 B7R0.7 CCCS(=O)CCC 7566AF [2,0,0,0,0,0|2,0,0]=4 28 B7R0.7 CCNC(=O)OCC 7331AF [2,0,0,0,0,0|1,0,0]=3 29 B7R0.7 CCOC(=O)CCN 5625AC [2,0,0,0,0,0|1,0,0]=3 30 B9R0.19 C=CC(C)(C)C(=O)OCC 4027AJ [1,1,0,0,0,0|0,0,2]=4 31 B9R0.19 CCOC(=O)C(C)(Br)CBr 8548AE [1,1,0,0,0,0|1,0,0]=3 32 B9R0.19 CCOC(=O)C(C)(Br)CC 7736AB [1,1,0,0,0,0|0,0,0]=2 33 B9R0.35 CCCC(O)C(=O)OCC 7801AF [1,1,0,0,0,0|1,0,0]=3 34 B9R0.35 CCOC(=O)C(C)N=C=O 4062AD [1,1,0,0,0,0|0,0,2]=4 35 B9R0.35 CCOC(=O)C(C)N=C=S Y8985 [1,1,0,0,0,0|0,1,1]=4 36 B9R0.35 CCOC(=O)C(C)NC=O Z3188 [1,1,0,0,0,0|0,0,2]=4 37 B9R0.4 CC(=O)CC(=O)OCCCl 7886AB [1,1,0,0,0,0|0,0,2]=4 38 B11R0.308 CC(C)[C@H](O)C(=O)OC(C)(C)C N537 [0,2,0,0,0,0|2,0,0]=4 39 B11R0.53 CCOC(=O)C(C#N)C(C)CC 8122AF [0,2,0,0,0,0|1,0,1]=4 40 B11R0.57 CCOC(=O)C(N=C=O)C(C)C Y7479 [0,2,0,0,0,0|1,0,1]=4 41 B11R0.57 CCOC(=O)C(N=C=S)C(C)C 8738AD [0,2,0,0,0,0|1,0,1]=4 42 B9R1.3 O=C1NCCC(O)C1Cl 9133AF [1,0,0,1,0,0|2,0,0]=4 43 B9R1.41 O=C(O)C1CCCC1=O 4522AE [1,0,0,1,0,0|1,0,1]=4 44 B9R1.5 O=C1CCCCCC1Br 9448AE [1,0,0,1,0,0|2,0,0]=4 45 B9R1.73 CCOC(=O)C1CNC1 2387AC [1,0,0,1,0,0|1,0,0]=3 46 B9R1.183 CCOC(=O)[C@@H]1O[C@@H]1C O019 [1,0,0,1,0,0|1,0,0]=3 47 B9R1.34 C[C@H]1CC(=O)C[C@H](C)N1 4678AJ [1,0,0,1,0,0|2,0,0]=4 48 B11R1.199 CCOC(=O)C1CNCC1=O 5664AB [0,1,0,1,0,0|0,0,2]=4 49 B11R1.199 CCOC(=O)[C@@H]1CCC[C@@H]1N 6807AJ [0,1,0,1,0,0|1,0,0]=3