0 B8R1.50 O=C1CCC(=O)C1I 97934 [0,0,0,0,0,0|2,0,2]=4 1 B7R1.2 CC1=CC(=O)NO1 S10286 [1,0,0,0,0,0|2,0,1]=4 2 B7R1.2 CC1=CC(=O)OC1 C16080 [1,0,0,0,0,0|1,0,1]=3 3 B7R1.2 CC1=CCC(=O)O1 D88375 [1,0,0,0,0,0|1,0,2]=4 4 B7R1.2 CC1=N[C@@H](C)CO1 81835 [1,0,0,0,0,0|3,0,0]=4 5 B7R1.2 CC1CCC(C)O1 D89954 [1,0,0,0,0,0|2,0,1]=4 6 B7R1.2 CC1CCC(O)C1 D76706 [1,0,0,0,0,0|0,0,3]=4 7 B7R1.4 CN1CCNC1=S 79553 [1,0,0,0,0,0|2,1,0]=4 8 B7R1.4 CN1SC=CC1=O F21330 [1,0,0,0,0,0|2,0,1]=4 9 B9R1.37 CC1CC(C)C(=O)C1=O D95710 [0,1,0,0,0,0|0,0,0]=1 10 B9R1.37 C[C@H]1CN(O)C(=O)[C@H]1N F50142 [0,1,0,0,0,0|2,0,1]=4 11 B7R0.3 C=C(CC)CCCC D90439 [0,0,1,0,0,0|2,0,1]=4 12 B7R0.3 C=CC(=O)NCCN F11988 [0,0,1,0,0,0|3,0,0]=4 13 B7R0.3 C=CC(=O)OCCCl F20423 [0,0,1,0,0,0|3,0,0]=4 14 B7R0.3 CCCNC(=O)CCl D95642 [0,0,1,0,0,0|2,0,1]=4 15 B7R0.3 CCCOC(=O)CN 77506 [0,0,1,0,0,0|2,0,1]=4 16 B7R0.3 CCO\C=C(/C)C=O F11738 [0,0,1,0,0,0|2,0,1]=4 17 B7R0.10 CCC(=O)\C(C)=N\O D86364 [0,0,1,0,0,0|3,0,0]=4 18 B7R0.10 CCN(C)C(=O)CBr W10395 [0,0,1,0,0,0|2,0,1]=4 19 B7R0.10 CC[C@H](N)C(=O)OC F19412 [0,0,1,0,0,0|2,0,1]=4 20 B7R0.10 CN[C@@H](C)C(=O)OC C10941 [0,0,1,0,0,0|3,0,0]=4 21 B7R0.10 C\C=C(\C)C(=O)OC D88382 [0,0,1,0,0,0|2,0,1]=4 22 B7R0.16 CC(C)=C(C)C(C)C D92447 [0,0,1,0,0,0|2,0,0]=3 23 B7R0.16 CC(C)[C@H](Cl)C(=O)O C15445 [0,0,1,0,0,0|2,0,1]=4 24 B7R0.16 CC(C)[C@H]([15NH2])C(=O)O 41398 [0,0,1,0,0,0|2,0,1]=4 25 B7R0.16 C[C@H](Br)C(=O)N(C)C FD10631 [0,0,1,0,0,0|2,0,1]=4 26 B9R1.3 CC1CCCC(C)C1=O D89826 [0,0,0,0,0,1|1,0,1]=3 27 B9R1.3 CN1C=CNC(=O)C1=O AT13889 [0,0,0,0,0,1|1,0,2]=4 28 B9R1.3 CN1CCCN(C)C1=O T70721 [0,0,0,0,0,1|3,0,0]=4 29 B9R1.3 C[C@H]1CNCC(=O)N1C C91374 [0,0,0,0,0,1|2,0,0]=3 30 B9R1.69 C[C@H]1CCC(=O)N(C)C1 D90110 [0,0,0,0,0,1|2,0,0]=3 31 B6R0.1 C=CC[C@@H](C)CC D91307 [1,0,1,0,0,0|1,0,1]=4 32 B6R0.1 CCNC(=O)CC D90484 [1,0,1,0,0,0|1,0,0]=3 33 B6R0.1 CCNC(=O)CCl 71051 [1,0,1,0,0,0|2,0,0]=4 34 B6R0.1 CCNC(=O)CN C15442 [1,0,1,0,0,0|2,0,0]=4 35 B6R0.1 CCNC(=O)NC 81497 [1,0,1,0,0,0|2,0,0]=4 36 B6R0.1 CCOC(=O)C=O D78103 [1,0,1,0,0,0|1,0,0]=3 37 B6R0.1 CCOC(=O)CBr D88162 [1,0,1,0,0,0|2,0,0]=4 38 B6R0.1 CCOC(=O)CF A10822 [1,0,1,0,0,0|2,0,0]=4 39 B6R0.1 CCSC(=O)CC D90578 [1,0,1,0,0,0|1,0,0]=3 40 B6R0.1 CC\C=C(/C)C=O D91397 [1,0,1,0,0,0|1,0,1]=4 41 B6R0.1 C\C=C\[C@@H](C)CC D91310 [1,0,1,0,0,0|1,0,0]=3 42 B6R0.4 C=C(C)CCCC D91349 [1,0,1,0,0,0|1,0,0]=3 43 B6R0.4 C=CCCC(=C)C D91319 [1,0,1,0,0,0|1,0,1]=4 44 B6R0.4 C=CCCC(C)=O D90803 [1,0,1,0,0,0|1,0,1]=4 45 B6R0.4 C=CCCC(C)C D91308 [1,0,1,0,0,0|1,0,1]=4 46 B6R0.4 CCCCC(=O)Br D92781 [1,0,1,0,0,0|1,0,0]=3 47 B6R0.4 CSCCC(=O)Cl D91387 [1,0,1,0,0,0|2,0,0]=4 48 B6R0.6 C=CCCCCC D90784 [1,0,1,0,0,0|1,0,1]=4 49 B6R0.6 CCCC\C=C\I AT25371 [1,0,1,0,0,0|1,0,0]=3 50 B6R0.6 C\C=C/CCCC D90859 [1,0,1,0,0,0|1,0,0]=3 51 B6R0.6 C\C=C/CCCO D90944 [1,0,1,0,0,0|2,0,0]=4 52 B6R0.6 C\C=C\CCCC D90785 [1,0,1,0,0,0|1,0,0]=3 53 B6R0.6 C\C=C\CCCO D71247 [1,0,1,0,0,0|2,0,0]=4 54 B6R0.3 C=C(C)C(=O)NC AB9741 [1,0,1,0,0,0|2,0,0]=4 55 B6R0.3 C=C(C)[C@@H](C)CC T70795 [1,0,1,0,0,0|1,0,0]=3 56 B6R0.3 CCC(=O)C(C)C 29430 [1,0,1,0,0,0|0,0,1]=3 57 B6R0.3 CCC(=O)[C@H](C)S D91606 [1,0,1,0,0,0|0,1,1]=4 58 B6R0.3 CC[C@H](C)C(C)=O 29434 [1,0,1,0,0,0|0,0,1]=3 59 B6R0.3 CC[C@H](Cl)C(=O)O T70777 [1,0,1,0,0,0|1,0,1]=4 60 B6R0.3 CC[C@H](Cl)C(=O)O T71033 [1,0,1,0,0,0|1,0,1]=4 61 B6R0.3 CC[C@H](N)C(=O)O 25311 [1,0,1,0,0,0|1,0,1]=4 62 B6R0.3 CC[C@H](N)C(N)=O 51886 [1,0,1,0,0,0|2,0,0]=4 63 B6R0.3 CC[C@H](N)C(N)=O I10148 [1,0,1,0,0,0|2,0,0]=4 64 B6R0.3 CC[C@H](O)C(=O)[O-] D90908 [1,0,1,0,0,0|1,0,1]=4 65 B6R0.3 CC[C@H](S)C(C)=O D91570 [1,0,1,0,0,0|0,1,1]=4 66 B6R0.3 CN[C@@H](C)C(=O)O AT16587 [1,0,1,0,0,0|1,0,1]=4 67 B6R0.3 CN[C@@H](C)C(=O)O FD21048 [1,0,1,0,0,0|1,0,1]=4 68 B6R0.3 COC(=N)C(C)C F19214 [1,0,1,0,0,0|2,0,0]=4 69 B6R0.3 CS[C@@H](C)C(C)=O D91444 [1,0,1,0,0,0|1,0,1]=4 70 B6R0.3 C\C=C(/C)C(C)C T70959 [1,0,1,0,0,0|1,0,0]=3 71 B6R0.3 C\C=C(\C)C(C)=O D91447 [1,0,1,0,0,0|1,0,1]=4 72 B6R0.2 C=C(C)CC(C)C D89820 [1,0,1,0,0,0|1,0,1]=4 73 B6R0.2 CC(=O)\C=C(\C)[O-] D91257 [1,0,1,0,0,0|1,0,1]=4 74 B6R0.2 CC(=O)\C=C(\C)[O-] D91267 [1,0,1,0,0,0|1,0,1]=4 75 B6R0.2 CC(=O)\C=C(\C)[O-] D91273 [1,0,1,0,0,0|1,0,1]=4 76 B6R0.2 CC(=O)\C=C(\C)[O-] H10081 [1,0,1,0,0,0|1,0,1]=4 77 B6R0.2 CC(=O)\C=C(\C)[O-] H10704 [1,0,1,0,0,0|1,0,1]=4 78 B6R0.2 CC(C)=CC(C)C T71140 [1,0,1,0,0,0|1,0,0]=3 79 B6R0.2 CC(C)OC(=O)Cl D97724 [1,0,1,0,0,0|2,0,0]=4 80 B6R1.2 C=C1CCCC1 D91403 [2,0,0,0,0,0|1,0,1]=4 81 B6R1.2 CC1=CCCC1 A10734 [2,0,0,0,0,0|1,0,0]=3 82 B6R1.2 C[C@H]1CCCN1 W10111 [2,0,0,0,0,0|1,0,1]=4 83 B6R1.2 O=C1CCCS1 W15445 [2,0,0,0,0,0|1,0,0]=3 84 B8R0.1 CCCCC(=O)CCC T72667 [0,1,1,0,0,0|1,0,1]=4 85 B8R0.1 C\C=C\C(=O)CCCC T72492 [0,1,1,0,0,0|1,0,0]=3 86 B8R0.3 CCC[C@H](N)C(=O)OC C12608 [0,1,1,0,0,0|2,0,0]=4 87 B8R0.6 CCCCOC(=O)CCl D89195 [0,1,1,0,0,0|1,0,1]=4 88 B8R0.6 CCCCOC(=O)CF D90645 [0,1,1,0,0,0|1,0,1]=4 89 B8R0.6 CCCSCC(=O)OC 35926 [0,1,1,0,0,0|2,0,0]=4 90 B8R0.8 C=C(C)C(=O)OCCC F18287 [0,1,1,0,0,0|2,0,0]=4 91 B8R0.8 CCCCC(=O)C(C)=O D90861 [0,1,1,0,0,0|0,0,0]=2 92 B8R0.11 CCC\C=C(\C=O)CC D90438 [0,1,1,0,0,0|1,0,1]=4 93 B8R0.25 CC(C)(C=O)CCC#N 55119 [0,1,1,0,0,0|1,0,1]=4 94 B8R0.2 COC(=O)C(=O)[C@H](C)Br F13543 [0,1,1,0,0,0|1,0,0]=3 95 B8R0.20 CCC(=O)N(CC)CC D89672 [0,1,1,0,0,0|2,0,0]=4 96 B8R1.1 O=C1C[C@H](CO)CN1 D84364 [1,1,0,0,0,0|1,0,1]=4 97 B8R1.18 C=C1C[C@H](C)OC1=O D91504 [1,1,0,0,0,0|1,0,1]=4 98 B8R1.19 CC1(C)OC=CC1=O D87811 [1,1,0,0,0,0|1,0,1]=4 99 B8R1.2 C=C[C@@H]1CC=CCC1 D92779 [0,0,1,1,0,0|2,0,0]=4 100 B8R1.2 O=C[C@@H]1CC=CCC1 28448 [0,0,1,1,0,0|1,0,0]=3 101 B8R1.2 O=C[C@@H]1CCCCN1 D87999 [0,0,1,1,0,0|1,0,1]=4 102 B8R1.2 O=C[C@H]1CCCNC1 D87810 [0,0,1,1,0,0|1,0,1]=4 103 B8R1.22 O=C1CCCCCC1 D89253 [0,0,1,1,0,0|1,0,1]=4 104 B8R1.38 CNC(=O)C1CCC1 D76479 [0,0,1,1,0,0|2,0,0]=4 105 B8R1.39 COC(=O)C1(C)CC1 F30145 [0,0,1,1,0,0|2,0,0]=4 106 B10R2.178 O=C1CC[C@@H]2CO[C@H]1O2 AT22559 [0,0,0,1,0,1|0,0,2]=4 107 B8R0.23 CC(C)CC(=O)C(=O)[O-] S10401 [0,0,1,0,0,1|1,0,0]=3 108 B8R0.23 CC(C)NC(=O)C(C)C L10185 [0,0,1,0,0,1|1,0,1]=4 109 B8R0.23 CC(C)OC(=O)C(C)C D91082 [0,0,1,0,0,1|1,0,1]=4 110 B8R1.4 C[C@H]1CCCC(=O)C1 94623 [1,0,0,0,0,1|0,0,1]=3 111 B8R1.4 O=C1C=C(O)CCN1 O11242 [1,0,0,0,0,1|1,0,1]=4