0 B9R1.3 CC1CCCC(C)C1=O SBB059688 [0,0,0,0,0,0|1,0,1]=2 1 B9R1.3 CC1CCCC(C)N1N SBB061736 [0,0,0,0,0,0|3,0,1]=4 2 B9R1.3 CC1CCCC(N)C1C SBB061727 [0,0,0,0,0,0|2,0,2]=4 3 B9R1.3 CN1CCCN(C)C1=O SBB058374 [0,0,0,0,0,0|3,0,0]=3 4 B9R1.3 O=C1CCCC(=O)C1Br SBB038106 [0,0,0,0,0,0|2,0,2]=4 5 B8R1.4 CC1=CC(=O)CCC1 SBB007736 [1,0,0,0,0,0|0,0,1]=2 6 B8R1.4 CC1CCCC(C)C1 SBB061164 [1,0,0,0,0,0|1,0,2]=4 7 B8R1.4 CC1CCCC(C)N1 SBB004313 [1,0,0,0,0,0|2,0,1]=4 8 B8R1.4 CC1CCCC(O)C1 SBB061310 [1,0,0,0,0,0|0,0,3]=4 9 B8R1.4 NC1=CC(=O)CCC1 SBB028190 [1,0,0,0,0,0|1,0,1]=3 10 B8R1.4 O=C1CCCC(=O)C1 SBB061546 [1,0,0,0,0,0|1,0,2]=4 11 B8R1.4 O=C1CCCC(=O)O1 SBB060010 [1,0,0,0,0,0|2,0,1]=4 12 B8R1.5 CC1=C(C)CCCC1 SBB060472 [1,0,0,0,0,0|2,0,0]=3 13 B8R1.5 CC1=NCCCN1C SBB001664 [1,0,0,0,0,0|3,0,0]=4 14 B8R1.5 CC1CCCCC1=O SBB058517 [1,0,0,0,0,0|0,0,1]=2 15 B8R1.5 CC1CCCCC1N SBB061724 [1,0,0,0,0,0|1,0,2]=4 16 B8R1.5 CC1CCCCN1C SBB060747 [1,0,0,0,0,0|2,0,1]=4 17 B8R1.5 CC1CCCNC1C SBB027556 [1,0,0,0,0,0|2,0,1]=4 18 B8R1.5 CC1NCCNC1=O SBB080100 [1,0,0,0,0,0|2,0,0]=3 19 B8R1.5 CC1SCCNC1=O SBB111924 [1,0,0,0,0,0|2,0,0]=3 20 B8R1.5 NC1CCCNC1=O SBB012739 [1,0,0,0,0,0|2,0,0]=3 21 B8R1.5 O=C1CCCCC1Cl SBB061548 [1,0,0,0,0,0|1,0,1]=3 22 B8R1.5 O=C1NCCNC1=O SBB079701 [1,0,0,0,0,0|2,0,0]=3 23 B10R1.22 CC1CN(C)CC(C)C1=O SBB002813 [0,1,0,0,0,0|2,0,1]=4 24 B10R1.119 CC1C(=O)CCN(C)C1C SBB002408 [0,1,0,0,0,0|2,0,1]=4 25 B8R0.2 CCC(C)C(Br)C(=O)O SBB069132 [0,0,1,0,0,0|2,0,1]=4 26 B8R0.2 COC(=O)C(N)C(C)C SBB003876 [0,0,1,0,0,0|2,0,1]=4 27 B8R0.2 COC(=O)[C@@H](N)C(C)C SBB302661 [0,0,1,0,0,0|2,0,1]=4 28 B8R0.2 [C@H](C)(CC)[C@H](N)C(=O)O SBB037854 [0,0,1,0,0,0|2,0,1]=4 29 B8R0.3 CCOC(=O)C(=O)CBr SBB054095 [0,0,1,0,0,0|2,0,0]=3 30 B8R0.3 CCOC(=O)C(=O)CC SBB108891 [0,0,1,0,0,0|1,0,0]=2 31 B8R0.3 CCOC(=O)C(Br)CC SBB070758 [0,0,1,0,0,0|2,0,1]=4 32 B8R0.3 CCOC(=O)C(N)CC SBB072718 [0,0,1,0,0,0|2,0,1]=4 33 B8R0.3 CCOC(C)C(=O)NN SBB080048 [0,0,1,0,0,0|3,0,0]=4 34 B8R0.3 COC(=O)C(C)CCCl SBB054131 [0,0,1,0,0,0|3,0,0]=4 35 B8R0.6 CCCCCC(=O)CC SBB060388 [0,0,1,0,0,0|1,0,1]=3 36 B8R0.6 CCCCCC(=O)NN SBB021010 [0,0,1,0,0,0|2,0,0]=3 37 B8R0.6 CCCCCC(=O)NO SBB008093 [0,0,1,0,0,0|1,0,1]=3 38 B8R0.6 CCCCCC(=O)OC SBB060591 [0,0,1,0,0,0|2,0,0]=3 39 B8R0.6 CCCCNC(=O)CCl SBB010319 [0,0,1,0,0,0|2,0,1]=4 40 B8R0.6 CCCCOC(=O)CC SBB060578 [0,0,1,0,0,0|2,0,1]=4 41 B8R0.6 CCCCOC(=O)CCl SBB060760 [0,0,1,0,0,0|2,0,1]=4 42 B8R0.6 CCCCOC(=O)CF SBB085867 [0,0,1,0,0,0|2,0,1]=4 43 B8R0.6 CCCCOC(=O)CS SBB061004 [0,0,1,0,0,0|1,1,1]=4 44 B8R0.6 CCNCCC(=O)NN SBB046550 [0,0,1,0,0,0|3,0,0]=4 45 B8R0.6 CCOCCC(=O)NN SBB079954 [0,0,1,0,0,0|3,0,0]=4 46 B8R0.6 COC(=O)CCCCBr SBB070759 [0,0,1,0,0,0|3,0,0]=4 47 B10R2.25 O=C1C2CCC(C2)C1Cl SBB061651 [0,0,0,1,0,0|1,0,1]=3 48 B8R1.50 CC1=C(C)C(=O)NC1 SBB055792 [0,0,0,0,1,0|2,0,1]=4 49 B8R1.50 CN1CCN(C)C1=O SBB008346 [0,0,0,0,1,0|3,0,0]=4 50 B7R0.2 CC(C)NC(=O)CBr SBB051007 [1,0,1,0,0,0|2,0,0]=4 51 B7R0.2 CC(C)NC(=O)CCl SBB016573 [1,0,1,0,0,0|2,0,0]=4 52 B7R0.2 CC(C)NC(=O)CN SBB085357 [1,0,1,0,0,0|2,0,0]=4 53 B7R0.2 CC(C)OC(=O)CCl SBB040600 [1,0,1,0,0,0|2,0,0]=4 54 B7R0.2 CC(C)OC(=O)CS SBB061230 [1,0,1,0,0,0|2,0,0]=4 55 B7R0.2 CCC(=O)OC(C)C SBB061101 [1,0,1,0,0,0|1,0,0]=3 56 B7R0.2 CCC(C)CC(=O)O SBB008180 [1,0,1,0,0,0|1,0,1]=4 57 B7R0.2 CCC(C)NC(N)=O SBB008605 [1,0,1,0,0,0|2,0,0]=4 58 B7R0.2 CC\C(C)=C\C(C)C SBB060471 [1,0,1,0,0,0|1,0,0]=3 59 B7R0.5 C=C(C)C(=O)OCC SBB061402 [1,0,1,0,0,0|2,0,0]=4 60 B7R0.5 CCCC(=O)N(C)C SBB008345 [1,0,1,0,0,0|1,0,1]=4 61 B7R0.5 CCCC(Br)C(=O)O SBB065976 [1,0,1,0,0,0|1,0,1]=4 62 B7R0.5 CCCC(C)C(=O)O SBB065915 [1,0,1,0,0,0|0,0,1]=3 63 B7R0.5 CCC[C@@H](N)C(=O)O SBB065919 [1,0,1,0,0,0|1,0,1]=4 64 B7R0.5 CCOC(=O)C(C)Br SBB058608 [1,0,1,0,0,0|2,0,0]=4 65 B7R0.5 CCOC(=O)C(C)C SBB060711 [1,0,1,0,0,0|1,0,0]=3 66 B7R0.5 CCOC(=O)C(C)N SBB004040 [1,0,1,0,0,0|2,0,0]=4 67 B7R0.10 CCC(Br)C(=O)OC SBB070737 [1,0,1,0,0,0|2,0,0]=4 68 B7R0.10 CNC(=O)C(=O)NC SBB007883 [1,0,1,0,0,0|2,0,0]=4 69 B7R0.10 COC(=O)C(=O)OC SBB040902 [1,0,1,0,0,0|2,0,0]=4 70 B7R0.3 C=C(CC)CCCC SBB060475 [1,0,1,0,0,0|1,0,1]=4 71 B7R0.3 CCC(=O)OCCCl SBB060315 [1,0,1,0,0,0|2,0,0]=4 72 B7R0.3 CCCCC(=O)NN SBB028196 [1,0,1,0,0,0|2,0,0]=4 73 B7R0.3 CCCNC(=O)CCl SBB016586 [1,0,1,0,0,0|2,0,0]=4 74 B7R0.3 CCCOC(=O)CCl SBB060962 [1,0,1,0,0,0|2,0,0]=4 75 B7R0.3 CCCOC(=O)CS SBB061003 [1,0,1,0,0,0|2,0,0]=4 76 B7R0.7 CCCC(=O)CCC SBB060386 [1,0,1,0,0,0|0,0,1]=3 77 B7R0.7 CCNC(=O)NCC SBB058550 [1,0,1,0,0,0|2,0,0]=4 78 B7R0.7 CCOC(=O)CCBr SBB070739 [1,0,1,0,0,0|2,0,0]=4 79 B7R0.7 CCOC(=O)CCN SBB004038 [1,0,1,0,0,0|2,0,0]=4 80 B7R0.7 CCOC(=O)OCC SBB060086 [1,0,1,0,0,0|2,0,0]=4 81 B7R0.7 C\C=C\C(=O)OCC SBB061219 [1,0,1,0,0,0|1,0,1]=4 82 B7R0.7 N(C)CC(=O)OCC SBB004039 [1,0,1,0,0,0|2,0,0]=4 83 B7R0.1 C=CCCCCCC SBB059884 [1,0,1,0,0,0|1,0,1]=4 84 B7R0.1 CCCCCOC=O SBB060301 [1,0,1,0,0,0|1,0,0]=3 85 B7R0.1 C\C=C\CCCCC SBB059885 [1,0,1,0,0,0|1,0,0]=3 86 B7R0.4 CCCCCC(=O)Cl SBB060011 [1,0,1,0,0,0|1,0,0]=3 87 B7R0.4 CCCCCC(=O)O SBB053586 [1,0,1,0,0,0|0,0,1]=3 88 B7R0.4 CCCCCC(C)=O SBB061125 [1,0,1,0,0,0|0,0,1]=3 89 B7R0.4 CCCCCC(N)=O SBB061056 [1,0,1,0,0,0|1,0,0]=3 90 B7R0.4 CCCCOC(N)=O SBB060819 [1,0,1,0,0,0|2,0,0]=4 91 B7R0.4 CCOCCC(=O)O SBB053607 [1,0,1,0,0,0|1,0,1]=4 92 B7R0.4 NCCCCC(=O)O SBB061559 [1,0,1,0,0,0|1,0,1]=4 93 B7R0.4 O=C(O)CCCCBr SBB061343 [1,0,1,0,0,0|1,0,1]=4 94 B7R0.4 O=C(O)CCCCCl SBB061215 [1,0,1,0,0,0|1,0,1]=4 95 B7R1.3 BrC1C=CCCC1 SBB007864 [2,0,0,0,0,0|1,0,0]=3 96 B7R1.3 CC1CC=CCC1 SBB060473 [2,0,0,0,0,0|0,0,2]=4 97 B7R1.3 CC1CCCCC1 SBB061163 [2,0,0,0,0,0|0,0,2]=4 98 B7R1.3 N1CCCC(C)C1 SBB027301 [2,0,0,0,0,0|1,0,1]=4 99 B7R1.3 N1CCCCC1C SBB027300 [2,0,0,0,0,0|1,0,1]=4 100 B7R1.3 O=C1C=CCCC1 SBB008209 [2,0,0,0,0,0|0,0,1]=3 101 B7R1.3 O=C1CCCCC1 SBB060074 [2,0,0,0,0,0|0,0,1]=3 102 B7R1.3 O=C1CCCCO1 SBB060349 [2,0,0,0,0,0|1,0,0]=3 103 B7R1.3 O=C1CCOCC1 SBB049627 [2,0,0,0,0,0|1,0,1]=4 104 B7R1.3 O=C1CCSCC1 SBB048121 [2,0,0,0,0,0|1,0,1]=4 105 B7R1.3 O=C1CNCCN1 SBB000034 [2,0,0,0,0,0|2,0,0]=4 106 B9R0.6 CCOC(=O)C(=O)N(C)C SBB008387 [0,1,1,0,0,0|1,0,0]=3 107 B9R0.6 CCOC(=O)C(Br)C(C)C SBB005789 [0,1,1,0,0,0|1,0,1]=4 108 B9R0.6 CCOC(=O)[C@@H](N)C(C)C SBB054134 [0,1,1,0,0,0|1,0,1]=4 109 B9R0.27 CC[C@H](C)[C@H](N)C(=O)OC SBB010304 [0,1,1,0,0,0|1,0,1]=4 110 B9R0.23 COC(=O)C(=O)CC(C)=O SBB004133 [0,1,1,0,0,0|1,0,1]=4 111 B9R0.35 CCCC(=O)C(O)CCC SBB008396 [0,1,1,0,0,0|0,0,2]=4 112 B9R0.35 CCNC(=O)C(=O)NCC SBB007900 [0,1,1,0,0,0|1,0,0]=3 113 B9R0.35 CCOC(=O)C(=O)OCC SBB040948 [0,1,1,0,0,0|1,0,0]=3 114 B9R0.37 CCCC(=O)N(CC)CC SBB008344 [0,1,1,0,0,0|2,0,0]=4 115 B9R0.5 CCCCCC(=O)CCC SBB005828 [0,1,1,0,0,0|1,0,1]=4 116 B9R0.5 CCCCCC(=O)OCC SBB060316 [0,1,1,0,0,0|1,0,1]=4 117 B9R0.46 CCCCCCC(=O)CC SBB007744 [0,1,1,0,0,0|1,0,1]=4 118 B9R0.46 CCCCCCC(=O)NN SBB021011 [0,1,1,0,0,0|2,0,0]=4 119 B9R0.46 CCCCCCC(=O)OC SBB060317 [0,1,1,0,0,0|2,0,0]=4 120 B9R0.46 CCCCCNC(=O)CCl SBB017391 [0,1,1,0,0,0|1,0,1]=4 121 B9R0.46 CCCCCOC(=O)CC SBB058817 [0,1,1,0,0,0|1,0,1]=4 122 B9R0.46 CCCCCOC(=O)CCl SBB060707 [0,1,1,0,0,0|1,0,1]=4 123 B9R0.46 CCCCCOC(=O)CS SBB061204 [0,1,1,0,0,0|0,1,1]=4 124 B9R0.46 COC(=O)CCCCCN SBB003739 [0,1,1,0,0,0|2,0,0]=4 125 B9R0.46 NNC(=O)CCCCCO SBB072600 [0,1,1,0,0,0|2,0,0]=4 126 B9R0.47 CCCCCC(=O)N(C)C SBB008014 [0,1,1,0,0,0|2,0,0]=4 127 B9R1.2 CCN1CCCC(=O)C1 SBB056089 [1,1,0,0,0,0|1,0,1]=4 128 B9R1.2 O=C1CCCC(CO)C1 SBB054862 [1,1,0,0,0,0|0,0,1]=3 129 B9R1.34 CC1CC(=O)CC(=O)C1 SBB042020 [1,1,0,0,0,0|0,0,2]=4 130 B9R1.34 CC1CC(=O)CC(C)O1 SBB056218 [1,1,0,0,0,0|1,0,1]=4 131 B9R1.66 CC1(C)CC(=O)CCO1 SBB048828 [1,1,0,0,0,0|1,0,1]=4 132 B9R1.15 CCC1CCCOC1=O SBB061552 [1,1,0,0,0,0|1,0,0]=3 133 B9R1.15 CCC1NCCNC1=O SBB010255 [1,1,0,0,0,0|2,0,0]=4 134 B9R1.15 COC1CCCNC1=O SBB056098 [1,1,0,0,0,0|1,0,0]=3 135 B9R1.15 O=C1CCCCC1CO SBB054864 [1,1,0,0,0,0|0,0,1]=3 136 B9R1.40 CC1(C)NCCNC1=O SBB010254 [1,1,0,0,0,0|2,0,0]=4 137 B11R1.1361 CC1CC(C)(C)CC(=O)C1=O SBB056269 [0,2,0,0,0,0|0,0,0]=2 138 B9R1.5 CN1CCCCCC1=O SBB056535 [0,0,1,1,0,0|2,0,0]=4 139 B9R1.5 O=C1CCCCCN1Br SBB057855 [0,0,1,1,0,0|2,0,0]=4 140 B9R1.11 COC(=O)C1CCCC1 SBB071502 [0,0,1,1,0,0|2,0,0]=4 141 B9R1.11 NNC(=O)C1CCCC1 SBB046301 [0,0,1,1,0,0|2,0,0]=4 142 B9R1.1 CCC1CCC(=O)CC1 SBB059272 [0,0,1,1,0,0|1,0,1]=4 143 B9R1.50 O=C1CCCCCCC1 SBB008888 [0,0,1,1,0,0|1,0,1]=4 144 B9R1.89 O=CC1CCCCCC1 SBB059644 [0,0,1,1,0,0|1,0,1]=4 145 B9R2.39 O=C1CC2CCC1C2 SBB072159 [1,0,0,1,0,0|0,0,1]=3 146 B11R2.367 C=C1C(=O)C2CCN1CC2 SBB057220 [0,1,0,1,0,0|2,0,0]=4 147 B7R1.4 CN1CCCC1=O SBB060297 [1,0,0,0,1,0|1,0,0]=3 148 B7R1.4 NC1CCOC1=O SBB004366 [1,0,0,0,1,0|2,0,0]=4 149 B7R1.4 NC1CCOC1=O SBB057192 [1,0,0,0,1,0|2,0,0]=4 150 B7R1.4 NC1CCSC1=O SBB004035 [1,0,0,0,1,0|2,0,0]=4 151 B7R1.4 O=C1OCCC1Br SBB083094 [1,0,0,0,1,0|2,0,0]=4 152 B9R0.42 COC(=O)CC(=O)C(C)C SBB086341 [0,0,1,0,0,1|1,0,0]=3