0 B6R0.5 CCCC(C)(C)C 5139AL [1,0,0,0,0,0|2,0,1]=4 1 B6R0.5 CCCC(C)(C)O 5708AL [1,0,0,0,0,0|2,0,1]=4 2 B6R0.5 CCOC(C)(C)C 7559AF [1,0,0,0,0,0|1,1,1]=4 3 B6R0.5 CNCC(C)(C)O 1773AJ [1,0,0,0,0,0|2,0,1]=4 4 B6R0.5 COCC(C)(C)O 1642AL [1,0,0,0,0,0|1,1,1]=4 5 B6R0.5 C\C=N\C(C)(C)C 0877AC [1,0,0,0,0,0|2,0,1]=4 6 B6R0.8 CNC(C)(C)CO 5580AJ [1,0,0,0,0,0|1,0,2]=4 7 B6R0.8 COC(C)(C)CN 0561AA [1,0,0,0,0,0|1,1,1]=4 8 B6R0.8 COC(C)(C)CN 4739AC [1,0,0,0,0,0|1,1,1]=4 9 B8R0.12 CCOC(C)(C)C(=O)O 7496AA [0,1,0,0,0,0|1,1,0]=3 10 B8R1.19 CC1(C)CCNC1=O 4182AE [0,0,0,1,0,0|3,0,0]=4 11 B5R0.1 CSC=[N+](C)C 8446AL [2,0,0,0,0,0|2,0,0]=4 12 B5R0.1 CSCC(C)=O Y1373 [2,0,0,0,0,0|1,0,1]=4 13 B5R0.1 CSCS(C)=O E772 [2,0,0,0,0,0|2,0,0]=4 14 B5R0.2 CCCSSC 8846AJ [2,0,0,0,0,0|1,0,1]=4 15 B5R0.3 C=CC(C)CC 6094AL [2,0,0,0,0,0|2,0,0]=4 16 B5R0.3 CCC(C)C=O 7969AJ [2,0,0,0,0,0|1,0,0]=3 17 B5R0.3 CON(C)C=O 3547AB [2,0,0,0,0,0|1,1,0]=4 18 B5R0.4 C=CC(C)(C)C 5869AL [2,0,0,0,0,0|1,0,0]=3 19 B5R0.4 C=C[N+](C)(C)C 9325AL [2,0,0,0,0,0|2,0,0]=4 20 B5R0.4 CC(C)(C)CN 8004AA [2,0,0,0,0,0|1,0,1]=4 21 B5R0.4 CC(C)(C)NO B804 [2,0,0,0,0,0|1,0,1]=4 22 B5R0.4 CCC(C)(C)Br 5515AL [2,0,0,0,0,0|2,0,0]=4 23 B5R0.4 CCC(C)(C)Cl 5561AL [2,0,0,0,0,0|2,0,0]=4 24 B7R0.5 CSC[C@H](N)C(=O)O V1222 [1,1,0,0,0,0|2,0,0]=4 25 B7R0.13 C=CC(C)(C)C(=O)O 0670AA [1,1,0,0,0,0|1,0,1]=4 26 B7R0.13 CC(=O)C(C)(C)C#N W5860 [1,1,0,0,0,0|2,0,0]=4 27 B7R0.13 CC(C)(C#N)C(=O)O 1332AB [1,1,0,0,0,0|2,0,0]=4 28 B7R0.13 CC(C)(CF)C(=O)O 9836AB [1,1,0,0,0,0|2,0,0]=4 29 B7R0.13 CC(C)(CN)C(=O)O 2121AJ [1,1,0,0,0,0|2,0,0]=4 30 B7R0.13 CCC(C)(C)C(C)=O 0596AB [1,1,0,0,0,0|1,0,0]=3 31 B7R0.13 CC[C@@](C)(N)C(=O)O Q389 [1,1,0,0,0,0|2,0,0]=4 32 B9R0.28 COC(=O)C(C)(C)C(=O)O X0146 [0,2,0,0,0,0|1,1,0]=4 33 B9R0.28 COC(=O)C(C)(C)C(C)=O Z3692 [0,2,0,0,0,0|1,1,0]=4 34 B7R1.4 CC1CSCC1=O 6972AB [1,0,0,1,0,0|1,0,0]=3 35 B7R1.4 CC1SCCC1=O 6512AA [1,0,0,1,0,0|1,0,0]=3 36 B7R1.25 CC1(C=O)COC1 6969AC [1,0,0,1,0,0|1,1,0]=4 37 B9R1.40 CC1(C)NCCNC1=O W4622 [0,1,0,1,0,0|2,0,0]=4 38 B9R1.163 CC1(C(=O)O)CCCO1 9217AB [0,1,0,1,0,0|1,1,0]=4 39 B9R1.163 C[C@@]1(C(=O)O)CCCN1 W6243 [0,1,0,1,0,0|2,0,0]=4 40 B9R1.163 C[C@@]1(C(=O)O)CCCN1 X5473 [0,1,0,1,0,0|2,0,0]=4 41 B9R1.66 CC1(C)CC(=O)CCO1 V2429 [0,1,0,1,0,0|1,1,0]=4