0 B8R0.1 CCCCC(=O)CCC 8758AB [0,0,0,0,0,0|2,0,2]=4 1 B8R0.1 CCOC(=O)CCOC 6085AL [0,0,0,0,0,0|0,1,2]=3 2 B8R0.1 CCOC(=O)\C=C/C#N 5510AB [0,0,0,0,0,0|2,0,0]=2 3 B7R0.1 CC\C=C\CCCC 9221AL [1,0,0,0,0,0|2,0,1]=4 4 B7R0.3 CCC\C=C(/C)CC 6104AL [1,0,0,0,0,0|2,0,1]=4 5 B7R0.3 CCNCC(=O)OC 2143AA [1,0,0,0,0,0|2,0,1]=4 6 B7R0.3 CCNCC(=O)OC 2988AC [1,0,0,0,0,0|2,0,1]=4 7 B7R0.3 CNCCC(=O)OC 1857AB [1,0,0,0,0,0|1,0,2]=4 8 B7R0.3 CNCCC(=O)OC X3419 [1,0,0,0,0,0|1,0,2]=4 9 B7R0.3 CO\C=C\C(=O)OC W5649 [1,0,0,0,0,0|0,1,0]=2 10 B7R0.3 C\C=C\CC(=O)OC 9761AJ [1,0,0,0,0,0|1,0,1]=3 11 B7R0.7 C=C=CC(=O)OCC 4330AD [1,0,0,0,0,0|0,0,2]=3 12 B7R0.7 C=CCC(=O)OCC X3652 [1,0,0,0,0,0|0,0,2]=3 13 B7R0.7 C=COC(=O)\C=C\C E081 [1,0,0,0,0,0|0,0,2]=3 14 B7R0.7 CCOC(=O)\C=C/Br 8650AJ [1,0,0,0,0,0|1,0,0]=2 15 B7R0.7 CCOC(=O)\C=C/I 7873AL [1,0,0,0,0,0|1,0,0]=2 16 B7R0.7 CCOS(=O)OCC 7113AF [1,0,0,0,0,0|2,0,1]=4 17 B7R0.7 C\C=C\C(=O)N=C=S 6475AE [1,0,0,0,0,0|2,0,1]=4 18 B9R0.5 CCCNCC(=O)OCC 0138AP [0,1,0,0,0,0|1,0,2]=4 19 B9R0.5 CCOC(=O)CNCCN V4614 [0,1,0,0,0,0|2,0,1]=4 20 B9R0.5 CCOC(=O)N\N=C\CBr 6834AE [0,1,0,0,0,0|3,0,0]=4 21 B9R0.35 CCOC(=O)C(Cl)OCC 4043AB [0,1,0,0,0,0|2,0,1]=4 22 B9R1.73 CCOC(=O)C1CCN1 1941AC [0,0,0,1,0,0|2,0,1]=4 23 B9R1.73 CCOC(=O)C1CCN1 8256AA [0,0,0,1,0,0|2,0,1]=4 24 B9R1.73 CCOC(=O)[C@@H]1CCN1 2353AC [0,0,0,1,0,0|2,0,1]=4 25 B9R1.183 CCOC(=O)C1CC1C 0688AB [0,0,0,1,0,0|1,0,2]=4 26 B6R0.6 CC\C=C\CCC 9219AL [2,0,0,0,0,0|1,0,1]=4 27 B6R0.6 C\C=C/CCCC 7422AL [2,0,0,0,0,0|1,0,1]=4 28 B6R0.6 C\C=C\CCCC 7780AF [2,0,0,0,0,0|1,0,1]=4 29 B6R0.6 C\C=C\SCCC U946 [2,0,0,0,0,0|2,0,0]=4 30 B6R0.1 CC#CC(=O)OC X7106 [2,0,0,0,0,0|0,0,2]=4 31 B6R0.1 CCC(=O)CSC K829 [2,0,0,0,0,0|0,0,1]=3 32 B6R0.1 CCCC(=O)SC 8847AJ [2,0,0,0,0,0|1,0,0]=3 33 B6R0.1 CCOC(=N)CC 8352AC [2,0,0,0,0,0|1,0,1]=4 34 B6R0.1 CCSC(=O)CC 8960AL [2,0,0,0,0,0|0,1,1]=4 35 B6R0.1 COC(=O)\C=C/Br 6846AE [2,0,0,0,0,0|1,0,0]=3 36 B6R0.1 COC(=O)\C=C/I 6847AE [2,0,0,0,0,0|1,0,0]=3 37 B6R0.1 COC(=O)\C=C\N 1217AQ [2,0,0,0,0,0|1,0,0]=3 38 B6R0.4 CC\C=C\C(=O)O 6805AA [2,0,0,0,0,0|1,0,0]=3 39 B8R0.9 COC(=O)\C=C\C(C)=O 7011AL [1,1,0,0,0,0|1,0,0]=3 40 B8R0.19 COC(=O)\C=C(/C)OC 3885AE [1,1,0,0,0,0|0,1,0]=3 41 B8R0.5 CCOC(=O)CC(C)Br 1536AC [1,1,0,0,0,0|0,0,2]=4 42 B8R0.5 CCOC(=O)NC(N)=O 7871AL [1,1,0,0,0,0|1,1,0]=4 43 B10R0.1 CCOC(=O)\C=C\CCCCl 3021AL [0,2,0,0,0,0|1,0,0]=3 44 B10R0.108 CCOC(=O)CNC(=O)OC 8188AB [0,2,0,0,0,0|0,1,1]=4 45 B8R1.2 COC1=CCOCC1 Y5304 [1,0,0,1,0,0|0,1,1]=4 46 B8R1.8 CCCC1=CSC=C1 Z5466 [1,0,0,1,0,0|1,0,1]=4 47 B8R1.49 C1=CCCCCC=C1 1372AQ [1,0,0,1,0,0|2,0,0]=4 48 B8R1.49 C1=CCCCCC=C1 7920AF [1,0,0,1,0,0|2,0,0]=4 49 B8R1.18 CC1=CC(S)=C(C)O1 U424 [1,0,0,1,0,0|1,0,1]=4 50 B8R1.37 CCOC(=O)[C@H]1CO1 3304AL [1,0,0,1,0,0|0,1,1]=4 51 B10R1.10 CCOC1=CC(C)=NC=C1 V3972 [0,1,0,1,0,0|2,0,0]=4 52 B10R1.11 CCOC(=O)C1=CN=NS1 5606AB [0,1,0,1,0,0|2,0,0]=4 53 B10R1.11 CCOC(=O)C1=CNC=C1 Z4680 [0,1,0,1,0,0|1,0,1]=4 54 B10R1.11 CCOC(=O)C1=CON=C1 V2359 [0,1,0,1,0,0|0,1,1]=4 55 B10R1.11 CCOC(=O)C1=CSN=N1 W6026 [0,1,0,1,0,0|1,0,0]=3 56 B10R1.138 CCOC(=O)C=CC1CC1 1199AQ [0,1,0,1,0,0|1,0,0]=3 57 B10R1.4 CCOC1=CC=CNC1=O 5869AJ [0,1,0,1,0,0|2,0,0]=4 58 B10R1.22 CC1=C(C)C(O)=CC(=O)O1 6926AB [0,1,0,1,0,0|1,0,1]=4 59 B10R1.149 COC(=O)C1CCOC1=O 0056AB [0,1,0,1,0,0|0,1,1]=4 60 B10R1.212 CCOC(=O)C(C)=C1CC1 Y9988 [0,1,0,1,0,0|1,0,0]=3 61 B10R2.2 [C@@H]12CCC=C1CC(=O)O2 Y8486 [0,0,0,2,0,0|1,0,1]=4