0 B8R0.8 C=C(C)C(=O)OCCC F18287 [1,0,0,0,0,0|0,0,2]=3 1 B8R0.8 CCCCC(=O)C(C)=O D90861 [1,0,0,0,0,0|2,0,1]=4 2 B8R0.8 CCCOC(=O)C(C)C D91081 [1,0,0,0,0,0|0,0,0]=1 3 B8R0.9 CC[C@H](C)CCC(C)C T70586 [1,0,0,0,0,0|2,0,1]=4 4 B8R0.28 CC(C)CCC[C@H](C)N C10809 [1,0,0,0,0,0|2,0,1]=4 5 B8R0.28 CC(C)CCC[C@H](C)N F20422 [1,0,0,0,0,0|2,0,1]=4 6 B8R0.28 CC(C)CCC[C@H](C)O D91384 [1,0,0,0,0,0|2,0,1]=4 7 B8R0.28 CC(C)COCC(C)C D89882 [1,0,0,0,0,0|0,0,1]=2 8 B8R0.28 CC(C)CSCC(C)C D91079 [1,0,0,0,0,0|0,1,1]=3 9 B8R0.28 CC(C)SSSC(C)C D90271 [1,0,0,0,0,0|2,1,0]=4 10 B10R0.57 C\C=C(\C)C(=O)OCC(C)C D88383 [0,1,0,0,0,0|0,0,1]=2 11 B10R0.84 CC(C)C\C=C(\C=O)C(C)C D77786 [0,1,0,0,0,0|1,0,0]=2 12 B10R0.93 CC(C)C(=O)OC(=O)C(C)C P20008 [0,1,0,0,0,0|0,0,1]=2 13 B10R0.93 CC(C)C(=O)[CH-]C(=O)C(C)C AT24976 [0,1,0,0,0,0|1,0,1]=3 14 B8R0.23 CC(C)CC(=O)C(=O)[O-] S10401 [0,0,0,0,1,0|2,0,1]=4 15 B8R0.23 CC(C)C[C@H](O)C(C)C D89961 [0,0,0,0,1,0|0,0,2]=3 16 B8R0.23 CC(C)NC(=O)C(C)C L10185 [0,0,0,0,1,0|1,0,0]=2 17 B8R0.23 CC(C)OC(=O)C(C)C D91082 [0,0,0,0,1,0|0,0,0]=1 18 B10R0.98 CC(C)CCOC(=O)[C@H](C)O D91249 [0,0,0,0,0,1|1,0,0]=2 19 B7R0.3 C=C(CC)CCCC D90439 [2,0,0,0,0,0|2,0,0]=4 20 B7R0.3 CCC(=O)NCCO D90897 [2,0,0,0,0,0|2,0,0]=4 21 B7R0.3 CCCNC(=O)CCl D95642 [2,0,0,0,0,0|2,0,0]=4 22 B7R0.3 CCCOC(=O)CN 77506 [2,0,0,0,0,0|1,0,0]=3 23 B7R0.3 CCC\C=C(/C)CC D91421 [2,0,0,0,0,0|2,0,0]=4 24 B7R0.4 CCCCCC(C)C D91346 [2,0,0,0,0,0|1,0,1]=4 25 B7R0.5 CCCC(=O)N(C)C C13351 [2,0,0,0,0,0|1,0,0]=3 26 B7R0.5 CCC[C@H](C)C(C)C T71099 [2,0,0,0,0,0|1,0,1]=4 27 B7R0.5 CCC[C@H](O)C(C)C D91474 [2,0,0,0,0,0|0,0,2]=4 28 B7R0.5 CCOC(=O)C(Cl)Cl F16295 [2,0,0,0,0,0|2,0,0]=4 29 B7R0.5 CCOC(=O)[C@H](C)Cl D89296 [2,0,0,0,0,0|1,0,0]=3 30 B7R0.5 CCOC(=O)[C@H](C)F AT11652 [2,0,0,0,0,0|1,0,0]=3 31 B7R0.5 CCOC(=O)[C@H](C)N D87947 [2,0,0,0,0,0|1,0,0]=3 32 B7R0.6 CC(=O)COC(C)=O D88372 [2,0,0,0,0,0|1,0,1]=4 33 B7R0.6 CC(=O)\C=C\C(C)C D91593 [2,0,0,0,0,0|1,0,1]=4 34 B7R0.6 CC(C)=CCC(C)C D89989 [2,0,0,0,0,0|2,0,0]=4 35 B7R0.6 CC(C)CCC(=O)Cl D91586 [2,0,0,0,0,0|2,0,0]=4 36 B7R0.6 CC(C)CO[N+](=O)[O-] 35924 [2,0,0,0,0,0|2,0,0]=4 37 B9R0.47 CCCCOC(=O)[C@H](C)Br D88736 [1,1,0,0,0,0|1,0,0]=3 38 B9R0.23 COC(=O)[C@@H](N)CC(C)C FD21914 [1,1,0,0,0,0|2,0,0]=4 39 B9R0.48 C\C=C/C(=O)OCC(C)C D89387 [1,1,0,0,0,0|0,0,1]=3 40 B9R0.10 CC(=O)CC(=O)C(C)(C)C F12458 [0,1,0,0,1,0|1,0,1]=4 41 B9R0.57 CC(C)C(=O)NC(C)(C)C D86400 [0,1,0,0,1,0|1,0,0]=3 42 B11R0.149 CC(C)C[C@H](O)C(=O)OC(C)C D91250 [0,1,0,0,0,1|1,0,0]=3 43 B11R0.145 CC[C@H](C)C(=O)OCCC(C)C D97785 [0,1,0,0,0,1|0,0,0]=2 44 B11R0.145 C\C=C(\C)C(=O)OCCC(C)C D88384 [0,1,0,0,0,1|0,0,1]=3 45 B9R1.45 C[C@H]1CN1C(=O)N(C)C F14386 [1,0,0,1,0,0|2,0,0]=4 46 B9R1.69 C[C@H]1CCC(=O)N(C)C1 D90110 [1,0,0,1,0,0|2,0,0]=4 47 B9R1.100 NCCNC(=O)C1CC1 A50620 [1,0,0,1,0,0|2,0,0]=4 48 B9R1.49 CN1CCCC(=O)CC1 25775 [1,0,0,1,0,0|2,0,0]=4 49 B11R1.561 CC1(C)CCNC(=O)[C@@H](Cl)C1 E72427 [0,0,0,1,0,1|2,0,0]=4 50 B11R1.166 CC(C)[C@@H]1CC[C@@H](C)CC1=O 22864 [0,1,0,1,0,0|1,0,1]=4 51 B11R1.491 CC1(C)C(=O)OC(=O)C1(C)C D77226 [0,1,0,1,0,0|0,0,1]=3 52 B7R0.2 CC[C@H](C)CC(C)C D89783 [1,0,0,0,1,0|1,0,1]=4 53 B7R0.16 CC(C)=C(C)C(C)C D92447 [0,0,0,0,2,0|1,0,1]=4 54 B7R0.16 C[C@H](Br)C(=O)N(C)C FD10631 [0,0,0,0,2,0|2,0,0]=4 55 B9R0.4 CCCOC(=O)CC(C)=O D88333 [1,0,0,0,0,1|1,0,1]=4 56 B9R0.55 CC(C)CSSCC(C)C D89690 [1,0,0,0,0,1|0,1,1]=4 57 B11R0.6 CC(=O)CC(=O)OCCC(C)C D88329 [0,0,0,0,0,2|1,0,1]=4