0 B9R1.3 CC1CCCC(C)C1C T71900 [0,0,0,0,0,0|2,0,2]=4 1 B9R1.3 CN1CCC[C@H](N)C1=O P11331 [0,0,0,0,0,0|2,0,1]=3 2 B9R1.3 C[C@@H]1NCCN(C)C1=O C14663 [0,0,0,0,0,0|3,0,0]=3 3 B9R1.3 C[C@@H]1NCCN(C)C1=O F53792 [0,0,0,0,0,0|3,0,0]=3 4 B9R1.3 C[C@@H]1NCCN(C)C1=O F53796 [0,0,0,0,0,0|3,0,0]=3 5 B9R1.3 O=C1CCCC(O)=C1F P17611 [0,0,0,0,0,0|2,0,1]=3 6 B8R1.4 CC1CCOS(=O)O1 A12529 [1,0,0,0,0,0|3,0,0]=4 7 B8R1.4 CN1CCCC(=O)C1 C14007 [1,0,0,0,0,0|1,0,1]=3 8 B8R1.4 C[C@H]1CC(=O)CCN1 W10112 [1,0,0,0,0,0|1,0,1]=3 9 B8R1.4 C[C@H]1CCCC(=O)C1 90784 [1,0,0,0,0,0|0,0,1]=2 10 B8R1.4 C[C@H]1CCCC(=O)N1 90463 [1,0,0,0,0,0|1,0,0]=2 11 B8R1.4 C[C@H]1CCC[C@H](C)N1 P21143 [1,0,0,0,0,0|2,0,1]=4 12 B8R1.4 C[C@H]1CNCC(=O)N1 P13905 [1,0,0,0,0,0|2,0,0]=3 13 B8R1.4 N[C@@H]1COCC(=O)C1 F51972 [1,0,0,0,0,0|2,0,1]=4 14 B8R1.4 O=C1C=C(Cl)CCC1 D86029 [1,0,0,0,0,0|1,0,1]=3 15 B8R1.4 O=C1CCC[C@H](O)C1 P16037 [1,0,0,0,0,0|1,0,1]=3 16 B8R1.4 O=C1C[C@@H](F)CCN1 P19310 [1,0,0,0,0,0|2,0,1]=4 17 B8R1.5 C=C1CCCNC1=O D80229 [1,0,0,0,0,0|2,0,0]=3 18 B8R1.5 CN1CCCCC1=O C16744 [1,0,0,0,0,0|1,0,1]=3 19 B8R1.5 CN1CCSCC1=O AT12016 [1,0,0,0,0,0|2,0,1]=4 20 B8R1.5 C[C@H]1CCNCC1=O P13522 [1,0,0,0,0,0|1,0,1]=3 21 B8R1.5 C[C@H]1CCOCC1=O F53480 [1,0,0,0,0,0|1,0,1]=3 22 B8R1.5 N[C@H]1CCCNC1=O 51548 [1,0,0,0,0,0|2,0,0]=3 23 B8R1.5 O=C1CCCC=C1I 62778 [1,0,0,0,0,0|1,0,1]=3 24 B8R1.5 O=C1CCNC[C@@H]1Br F13559 [1,0,0,0,0,0|2,0,1]=4 25 B8R1.5 O=C1CCNC[C@@H]1Br F13560 [1,0,0,0,0,0|2,0,1]=4 26 B8R1.5 O=C1CCNC[C@@H]1F P11685 [1,0,0,0,0,0|2,0,1]=4 27 B8R1.5 O=C1NCCNC1=O AT12017 [1,0,0,0,0,0|2,0,0]=3 28 B8R1.5 O=C1OCCC=C1Br AC2797 [1,0,0,0,0,0|2,0,1]=4 29 B10R1.2 CN1C(=O)CCC[C@@H]1CO P13154 [0,1,0,0,0,0|2,0,0]=3 30 B10R1.114 CC1(C)C(=O)CCC[C@@H]1O D90971 [0,1,0,0,0,0|2,0,1]=4 31 B10R1.119 CN1CCN(C)C(=O)C1=O E72131 [0,1,0,0,0,0|2,0,0]=3 32 B8R0.2 CC[C@@H](C)[C@H](Br)C(=O)O 60005 [0,0,1,0,0,0|2,0,1]=4 33 B8R0.2 CC[C@H](C)[C@H](Cl)C(=O)O T70778 [0,0,1,0,0,0|2,0,1]=4 34 B8R0.3 C=C(CC)C(=O)OCC 97591 [0,0,1,0,0,0|2,0,0]=3 35 B8R0.3 C=C(CCl)C(=O)OCC T70430 [0,0,1,0,0,0|3,0,0]=4 36 B8R0.3 CCC[C@H](N)C(=O)OC F20626 [0,0,1,0,0,0|2,0,1]=4 37 B8R0.3 CCOC(=O)\C(Cl)=N\C AC2255 [0,0,1,0,0,0|3,0,0]=4 38 B8R0.6 C=CC(=O)NCCCO C77634 [0,0,1,0,0,0|3,0,0]=4 39 B10R2.63 CN1CC2CC(=O)C1C2 F13927 [0,0,0,1,0,0|2,0,1]=4 40 B8R1.50 CC1CCC(C)C1=O F12414 [0,0,0,0,1,0|1,0,1]=3 41 B8R1.50 CN1CC[C@H](N)C1=O D97088 [0,0,0,0,1,0|2,0,1]=4 42 B8R1.50 CN1CC[C@H](O)C1=O AT18763 [0,0,0,0,1,0|1,0,2]=4 43 B8R1.50 N[C@H]1CCN(O)C1=O 51422 [0,0,0,0,1,0|2,0,1]=4 44 B8R1.50 O=C1CCC(Br)=C1I 97935 [0,0,0,0,1,0|2,0,1]=4 45 B8R1.50 O=C1CCC(O)=C1F P19516 [0,0,0,0,1,0|2,0,1]=4 46 B8R1.50 O[C@H]1CCC(Br)=C1I 97936 [0,0,0,0,1,0|3,0,0]=4 47 B7R0.2 C=C(C)C[C@@H](C)CC T70395 [1,0,1,0,0,0|1,0,1]=4 48 B7R0.2 CC(=O)N[C@@H](C)CO C91213 [1,0,1,0,0,0|2,0,0]=4 49 B7R0.2 CC(C)CC(=O)CN F50535 [1,0,1,0,0,0|1,0,1]=4 50 B7R0.2 CC\C(C)=C/C(=O)O 64163 [1,0,1,0,0,0|1,0,1]=4 51 B7R0.5 CC(=O)[C@@H](C)CCBr AC2947 [1,0,1,0,0,0|1,0,1]=4 52 B7R0.5 CC(C)C(=O)NCO 81303 [1,0,1,0,0,0|2,0,0]=4 53 B7R0.5 CCCC(=O)C(N)=O AC9508 [1,0,1,0,0,0|1,0,0]=3 54 B7R0.5 CCC[C@H](O)C(N)=O AC9726 [1,0,1,0,0,0|2,0,0]=4 55 B7R0.5 CCOC(=N)C(C)C W12825 [1,0,1,0,0,0|2,0,0]=4 56 B7R0.10 C=C(CC)C(=O)OC 82635 [1,0,1,0,0,0|2,0,0]=4 57 B7R0.10 COC(=O)[C@H](C)OC 29231 [1,0,1,0,0,0|2,0,0]=4 58 B7R0.16 CC(=O)C(=O)[C@H](C)Br A11673 [1,0,1,0,0,0|1,0,0]=3 59 B7R0.3 CCC(=O)OCOC D72002 [1,0,1,0,0,0|2,0,0]=4 60 B7R0.3 CCCNC(=O)CN C78397 [1,0,1,0,0,0|2,0,0]=4 61 B7R0.7 CCOC(=O)CCN F19878 [1,0,1,0,0,0|2,0,0]=4 62 B7R0.7 CCS[C@@H](C)CC=O D86335 [1,0,1,0,0,0|1,0,1]=4 63 B7R0.1 C\C=C/CCCCC T72919 [1,0,1,0,0,0|1,0,0]=3 64 B7R0.1 O=CCCCCCCl 24359 [1,0,1,0,0,0|1,0,1]=4 65 B7R0.4 CCCCCC(N)=S W19000 [1,0,1,0,0,0|1,1,0]=4 66 B7R0.4 CCNCCC(N)=O A11725 [1,0,1,0,0,0|2,0,0]=4 67 B7R0.4 CNCCCC(N)=O AB11605 [1,0,1,0,0,0|2,0,0]=4 68 B7R0.4 NC(=O)CCCCBr AC9465 [1,0,1,0,0,0|2,0,0]=4 69 B7R0.4 NC(=O)CCCCCl AC5718 [1,0,1,0,0,0|2,0,0]=4 70 B7R0.4 NCCCCC(N)=O AC3685 [1,0,1,0,0,0|2,0,0]=4 71 B7R1.3 BrC1=CCCNC1 D85784 [2,0,0,0,0,0|2,0,0]=4 72 B7R1.3 CC1=CCOCC1 F17726 [2,0,0,0,0,0|2,0,0]=4 73 B7R1.3 C[C@H]1CCCCN1 N14212 [2,0,0,0,0,0|1,0,1]=4 74 B7R1.3 C[C@H]1CCCNC1 F14484 [2,0,0,0,0,0|1,0,1]=4 75 B7R1.3 ClC1=CCCCC1 FD10699 [2,0,0,0,0,0|1,0,0]=3 76 B7R1.3 N[C@@H]1C=CCCC1 AB10372 [2,0,0,0,0,0|1,0,0]=3 77 B7R1.3 S=C1CCCCC1 N16924 [2,0,0,0,0,0|0,1,1]=4 78 B9R0.6 C=C(C)C(=O)C(=O)OCC 90758 [0,1,1,0,0,0|0,0,2]=4 79 B9R0.8 C=CCCC(=O)C(=O)OC D76611 [0,1,1,0,0,0|1,0,1]=4 80 B9R0.34 CCC[C@H](N)CC(=O)OC N15477 [0,1,1,0,0,0|2,0,0]=4 81 B9R0.46 COCCCCC(=O)OC AC9127 [0,1,1,0,0,0|2,0,0]=4 82 B9R0.47 CCCCCC(=O)C(=O)O A11260 [0,1,1,0,0,0|0,0,0]=2 83 B9R1.2 CC[C@H]1CC(=O)CCN1 S10989 [1,1,0,0,0,0|1,0,1]=4 84 B9R1.2 COC1=CC(=O)CCC1 63648 [1,1,0,0,0,0|0,0,1]=3 85 B9R1.34 CC1CC(=O)CC(C)N1 F12422 [1,1,0,0,0,0|1,0,1]=4 86 B9R1.34 CC1CC(=O)CC(C)S1 89934 [1,1,0,0,0,0|1,0,1]=4 87 B9R1.34 C[C@H]1CC(=O)C[C@@H](C)N1 S11085 [1,1,0,0,0,0|1,0,1]=4 88 B9R1.34 C[C@H]1CC(=O)C[C@H](C)O1 P14538 [1,1,0,0,0,0|1,0,1]=4 89 B9R1.66 CC1(C)CC(=O)CCS1 89936 [1,1,0,0,0,0|1,0,1]=4 90 B9R1.15 CCN1CCCNC1=O AT26678 [1,1,0,0,0,0|2,0,0]=4 91 B9R1.15 CC[C@H]1CNCCC1=O O11002 [1,1,0,0,0,0|1,0,1]=4 92 B9R1.15 N#CC1=C(Cl)CCCC1 57508 [1,1,0,0,0,0|2,0,0]=4 93 B9R1.15 O=C1CCCC[C@@H]1CO F18113 [1,1,0,0,0,0|0,0,1]=3 94 B9R1.15 O=C[C@@H]1CCCCC1=O AT23975 [1,1,0,0,0,0|0,0,1]=3 95 B9R1.37 CC1C(O)CC(=O)N1C AT19118 [0,1,0,0,1,0|2,0,0]=4 96 B9R1.132 CN[C@H]1CCN(C)C1=O AT19093 [0,1,0,0,1,0|2,0,0]=4 97 B9R1.138 CN1CCC(C)(C)C1=O F18102 [0,1,0,0,1,0|2,0,0]=4 98 B11R1.159 NC(=O)C1CCCC(Br)C1=O F16543 [0,2,0,0,0,0|1,0,1]=4 99 B11R1.945 CC1(C)CCCC(C#N)=C1Cl 57619 [0,2,0,0,0,0|2,0,0]=4 100 B9R1.5 O=C1CCCCC[C@@H]1Br AT20921 [0,0,1,1,0,0|1,0,1]=4 101 B9R1.5 O=C1CCCCC[C@@H]1Cl T71318 [0,0,1,1,0,0|1,0,1]=4 102 B9R1.11 C#CC(=O)C1CCCC1 88682 [0,0,1,1,0,0|1,0,1]=4 103 B9R1.11 CCC(=O)C1CCCC1 F53464 [0,0,1,1,0,0|1,0,1]=4 104 B9R1.186 COC(=O)C1(C)CCC1 57445 [0,0,1,1,0,0|2,0,0]=4 105 B9R1.89 O=CC1CCCCCC1 AT13628 [0,0,1,1,0,0|1,0,1]=4 106 B9R2.39 CC1=CC2CCC1C2 75573 [1,0,0,1,0,0|1,0,0]=3 107 B9R2.39 O=C1OC2CCC1C2 P17974 [1,0,0,1,0,0|1,0,0]=3 108 B11R2.367 C=C1C(=O)C2CCN1CC2 F50825 [0,1,0,1,0,0|2,0,0]=4 109 B11R2.565 O=C1C2CCCC1CNC2 F13537 [0,1,0,1,0,0|1,0,1]=4 110 B7R1.2 CN1CCC(=O)C1 64219 [1,0,0,0,1,0|1,0,1]=4 111 B7R1.2 C[C@@H]1CNC(=O)C1 P15842 [1,0,0,0,1,0|1,0,1]=4 112 B7R1.2 C[C@@H]1COC(=O)C1 AT23255 [1,0,0,0,1,0|1,0,1]=4 113 B7R1.2 C[C@H]1CNC(=O)O1 C13778 [1,0,0,0,1,0|2,0,0]=4 114 B7R1.2 C[C@H]1COC(=O)N1 C77658 [1,0,0,0,1,0|2,0,0]=4 115 B7R1.2 C[C@H]1NCC(=O)N1 F31285 [1,0,0,0,1,0|2,0,0]=4 116 B7R1.2 C[C@H]1NCC(=O)N1 F31286 [1,0,0,0,1,0|2,0,0]=4 117 B7R1.2 N[C@H]1CCC(=O)C1 C14417 [1,0,0,0,1,0|1,0,1]=4 118 B7R1.2 O=C1CC[C@H](F)C1 P11910 [1,0,0,0,1,0|1,0,1]=4 119 B7R1.4 C[C@@H]1CCC[C@@H]1N 97379 [1,0,0,0,1,0|1,0,1]=4 120 B7R1.4 C[C@H]1CCNC1=O C74322 [1,0,0,0,1,0|1,0,0]=3 121 B7R1.4 C[C@H]1CNCC1=O F13737 [1,0,0,0,1,0|1,0,0]=3 122 B7R1.4 C[C@H]1COCC1=O AT13358 [1,0,0,0,1,0|1,0,0]=3 123 B7R1.4 N[C@H]1CCOC1=O S11138 [1,0,0,0,1,0|2,0,0]=4 124 B7R1.4 O=C1CCCC1=O AC2232 [1,0,0,0,1,0|1,0,1]=4 125 B9R1.48 CN1CCCNC(=O)C1 AT20054 [1,0,0,0,0,1|1,0,1]=4