0 B6R0.4 C=COCC(C)C 8720AJ [1,0,0,0,0,0|1,0,1]=3 1 B6R0.4 CC(C)CN=C=O 6296AD [1,0,0,0,0,0|1,0,2]=4 2 B6R0.6 C\C=C/CCCO 7448AL [1,0,0,0,0,0|1,0,2]=4 3 B8R0.9 CN(C)CCN(C)C=O 3626AL [0,1,0,0,0,0|2,0,1]=4 4 B8R0.28 CC(=O)CCCC(C)C 5697AC [0,1,0,0,0,0|1,0,2]=4 5 B8R0.28 CC(=O)CCOC(C)=O 0405AA [0,1,0,0,0,0|1,0,1]=3 6 B8R0.28 CC(=O)OCC=C(C)C 3268AA [0,1,0,0,0,0|0,0,0]=1 7 B8R0.28 CC(=O)OCCN(C)C 6940AA [0,1,0,0,0,0|1,0,1]=3 8 B8R0.28 CC(=O)OCOC(C)=O 9512AB [0,1,0,0,0,0|2,0,0]=3 9 B8R0.28 CC(=O)O[Ca]OC(C)=O 7185AF [0,1,0,0,0,0|3,0,0]=4 10 B8R0.28 CC(=O)O[Fe]OC(C)=O 3281AB [0,1,0,0,0,0|3,0,0]=4 11 B8R0.28 CC(=O)O[Ni]OC(C)=O 7210AF [0,1,0,0,0,0|3,0,0]=4 12 B8R0.28 CC(=O)O[Pd]OC(C)=O 8735AL [0,1,0,0,0,0|3,0,0]=4 13 B8R0.28 CC(=O)\C=C\C=C(C)C 8087AA [0,1,0,0,0,0|1,0,1]=3 14 B8R0.28 CC(C)CCO[N+](=O)[O-] 7332AF [0,1,0,0,0,0|1,0,2]=4 15 B8R1.1 CC1=CN=C(C=O)N1 9102AC [0,0,0,1,0,0|3,0,0]=4 16 B8R1.1 CC1=CSC(C=O)=C1 Y9589 [0,0,0,1,0,0|2,0,1]=4 17 B8R1.1 CC1=CSC(C=O)=N1 Y7472 [0,0,0,1,0,0|3,0,0]=4 18 B8R1.4 CC1CC(=O)CCN1 6568AA [0,0,0,1,0,0|2,0,1]=4 19 B8R1.4 CC1CC(=O)CCO1 3309AA [0,0,0,1,0,0|2,0,1]=4 20 B8R1.4 CN1CCOC(=O)C1 9637AA [0,0,0,1,0,0|1,0,1]=3 21 B8R1.7 CC(C)=C1C=CC=C1 1050AB [0,0,0,1,0,0|2,0,1]=4 22 B8R1.19 CC1(C)CCNC1=O 4182AE [0,0,0,1,0,0|1,0,2]=4 23 B5R0.1 CC(C)=CCBr Z1911 [2,0,0,0,0,0|1,0,0]=3 24 B5R0.1 CC(C)OC=O 7262AF [2,0,0,0,0,0|0,0,1]=3 25 B5R0.1 CN(C)CC=O 4924AA [2,0,0,0,0,0|1,0,0]=3 26 B5R0.1 COCC(C)=O U020 [2,0,0,0,0,0|1,0,1]=4 27 B5R0.2 C=CCCC=C 7447AF [2,0,0,0,0,0|2,0,0]=4 28 B5R0.2 C=CCNC=O 5211AD [2,0,0,0,0,0|1,0,0]=3 29 B5R0.2 CCCOC=O 8880AL [2,0,0,0,0,0|0,0,1]=3 30 B5R0.2 C\C=C\C=C\C 5333AL [2,0,0,0,0,0|1,0,1]=4 31 B5R0.2 N#CCOC=O 7500AL [2,0,0,0,0,0|1,0,1]=4 32 B5R0.2 NOC\C=C\Cl 3995AC [2,0,0,0,0,0|2,0,0]=4 33 B7R0.3 COC(=O)CNC=O 3413AB [1,1,0,0,0,0|2,0,0]=4 34 B7R0.5 C=COC(=O)C(=C)C 9402AL [1,1,0,0,0,0|1,0,1]=4 35 B7R0.6 C=C(C)CCC(=O)O 0114AA [1,1,0,0,0,0|0,0,2]=4 36 B7R0.6 CC(=O)CNC(C)=O 2096AC [1,1,0,0,0,0|2,0,0]=4 37 B7R0.6 CC(=O)\C=C\N(C)C 3259AA [1,1,0,0,0,0|1,0,1]=4 38 B7R0.6 CC(C)OCC(=O)O 0549AE [1,1,0,0,0,0|1,0,1]=4 39 B7R0.6 C[S+](C)CCC(=O)O 4030AL [1,1,0,0,0,0|1,0,1]=4 40 B7R0.1 CCCCCOC=O 7518AF [1,1,0,0,0,0|0,0,2]=4 41 B7R0.1 O=COCCOC=O 7217AF [1,1,0,0,0,0|1,0,1]=4 42 B9R0.1 CC(C)=CCCC(C)C=O 5418AL [0,2,0,0,0,0|1,0,0]=3 43 B9R0.1 CCC(C)CCOC(C)=O 6119AL [0,2,0,0,0,0|0,0,2]=4 44 B9R0.56 CC(=O)OCC[N+](C)(C)C 0176AC [0,2,0,0,0,0|1,0,1]=4 45 B7R1.2 CC1=COC(N)=N1 W5715 [1,0,0,1,0,0|2,0,0]=4 46 B7R1.2 CC1COC(=O)N1 5156AD [1,0,0,1,0,0|1,0,1]=4 47 B7R1.2 C[C@@H]1COC(=O)N1 5441AB [1,0,0,1,0,0|1,0,1]=4 48 B7R1.2 C[C@H]1COC(=O)N1 5440AB [1,0,0,1,0,0|1,0,1]=4 49 B7R1.3 CC1=CCCNC1 V9748 [1,0,0,1,0,0|1,0,1]=4 50 B7R1.4 CC1=C(C)OC=C1 5235AL [1,0,0,1,0,0|1,0,1]=4 51 B7R1.4 CC1CCOC1=O W3659 [1,0,0,1,0,0|0,0,2]=4 52 B7R1.4 O=C1CCC=C1O X8732 [1,0,0,1,0,0|2,0,0]=4 53 B9R1.41 CC(=O)N1CCOC1=O 1403AQ [0,1,0,1,0,0|1,0,1]=4 54 B9R1.66 CC1(O)CCOC(=O)C1 I616 [0,1,0,1,0,0|0,0,2]=4