0 B8R1.18 CC1=CC(=O)C(C)O1 SBB055769 [0,0,0,0,0,0|0,1,3]=4 1 B7R1.2 O=C1C[C@H](O)CO1 SBB055783 [1,0,0,0,0,0|1,1,1]=4 2 B7R1.4 BrC1CCCC1Br SBB060684 [1,0,0,0,0,0|3,0,0]=4 3 B7R1.4 ClC1CCCC1Cl SBB060212 [1,0,0,0,0,0|3,0,0]=4 4 B7R1.4 NC1CCOC1=O SBB004366 [1,0,0,0,0,0|2,0,1]=4 5 B7R1.4 NC1CCOC1=O SBB057192 [1,0,0,0,0,0|2,0,1]=4 6 B7R1.4 O=C1OCCC1Br SBB083094 [1,0,0,0,0,0|2,0,1]=4 7 B7R1.4 OC1CCCC1Cl SBB060196 [1,0,0,0,0,0|2,1,0]=4 8 B7R1.4 O[C@H]1CCC[C@H]1O SBB008502 [1,0,0,0,0,0|2,1,0]=4 9 B9R1.38 CC1CC(C)S(=O)(=O)C1 SBB058474 [0,1,0,0,0,0|2,1,0]=4 10 B7R0.2 CC(C)OC(=O)CCl SBB040600 [0,0,1,0,0,0|2,0,1]=4 11 B7R0.2 CC(C)OC(=O)CS SBB061230 [0,0,1,0,0,0|1,0,1]=3 12 B7R0.2 CC(CO)CN(C)C SBB046544 [0,0,1,0,0,0|2,1,0]=4 13 B7R0.2 CCC(=O)OC(C)C SBB061101 [0,0,1,0,0,0|2,0,1]=4 14 B7R0.2 CCC(C)CC(=O)O SBB008180 [0,0,1,0,0,0|2,0,1]=4 15 B7R0.2 CCC(O)CN(C)C SBB061151 [0,0,1,0,0,0|2,1,0]=4 16 B7R0.2 CC\C(C)=C\C(C)C SBB060471 [0,0,1,0,0,0|2,0,1]=4 17 B7R0.5 CCCC(Br)C(=O)O SBB065976 [0,0,1,0,0,0|2,0,1]=4 18 B7R0.5 CCCC(C)C(=O)O SBB065915 [0,0,1,0,0,0|2,0,1]=4 19 B7R0.5 CCCC(C)C(C)O SBB061491 [0,0,1,0,0,0|1,0,0]=2 20 B7R0.5 CCC[C@@H](N)C(=O)O SBB065919 [0,0,1,0,0,0|2,0,1]=4 21 B7R0.5 CCOC(=O)C(C)Br SBB058608 [0,0,1,0,0,0|2,0,1]=4 22 B7R0.5 CCOC(=O)C(C)C SBB060711 [0,0,1,0,0,0|2,0,1]=4 23 B7R0.5 CCOC(=O)C(C)N SBB004040 [0,0,1,0,0,0|2,0,1]=4 24 B7R0.7 CCCC(N)CCC SBB018801 [0,0,1,0,0,0|3,0,0]=4 25 B7R0.7 CCCC(O)CCC SBB061327 [0,0,1,0,0,0|3,0,0]=4 26 B7R0.7 CCCN(C)CCC SBB061592 [0,0,1,0,0,0|3,0,0]=4 27 B7R0.7 CCNC(C)CCO SBB046562 [0,0,1,0,0,0|1,1,0]=3 28 B7R0.7 CCOC(=O)CCBr SBB070739 [0,0,1,0,0,0|2,0,1]=4 29 B7R0.7 CCOC(=O)CCN SBB004038 [0,0,1,0,0,0|2,0,1]=4 30 B7R0.7 CCOC(C)OCC SBB058503 [0,0,1,0,0,0|2,0,0]=3 31 B9R2.39 N[C@H]1C[C@@H]2CCC1C2 SBB017219 [0,0,0,1,0,0|2,0,0]=3 32 B9R2.39 O=C1CC2CCC1C2 SBB072159 [0,0,0,1,0,0|1,1,1]=4 33 B9R1.34 CC1CC(=O)CC(C)O1 SBB056218 [0,0,0,0,0,1|0,1,1]=3 34 B9R1.34 CC1CC(C)CC(C)C1 SBB061287 [0,0,0,0,0,1|2,0,0]=3 35 B9R1.34 CC1CC(O)CN(C)C1 SBB002820 [0,0,0,0,0,1|2,1,0]=4 36 B9R1.34 CC1NC(C)NC(C)N1 SBB071507 [0,0,0,0,0,1|3,0,0]=4 37 B6R0.1 CCC(O)COC SBB072708 [1,0,1,0,0,0|1,1,0]=4 38 B6R0.1 CCCC(=O)CC SBB061496 [1,0,1,0,0,0|0,1,1]=4 39 B6R0.1 CCCC(C)CO SBB061282 [1,0,1,0,0,0|1,0,0]=3 40 B6R0.1 CCCC(O)CC SBB061363 [1,0,1,0,0,0|0,1,0]=3 41 B6R0.1 CCNC(C)CO SBB046531 [1,0,1,0,0,0|1,1,0]=4 42 B6R0.1 CCOC(=O)CC SBB060312 [1,0,1,0,0,0|1,0,1]=4 43 B6R0.1 CNC(C)CCO SBB046542 [1,0,1,0,0,0|1,1,0]=4 44 B6R0.1 CNCC(C)OC SBB049894 [1,0,1,0,0,0|2,0,0]=4 45 B6R0.2 CC(C)CC(C)Br SBB007950 [1,0,1,0,0,0|2,0,0]=4 46 B6R0.2 CC(C)CC(C)O SBB061337 [1,0,1,0,0,0|1,0,0]=3 47 B6R0.2 CC(C)NC(C)C SBB059763 [1,0,1,0,0,0|1,0,0]=3 48 B6R0.2 CC(O)CN(C)C SBB060002 [1,0,1,0,0,0|2,0,0]=4 49 B6R0.4 CC(C)NCCN SBB048119 [1,0,1,0,0,0|2,0,0]=4 50 B6R0.4 CC(C)NCCO SBB056428 [1,0,1,0,0,0|1,1,0]=4 51 B6R0.4 CC(C)OCCN SBB301616 [1,0,1,0,0,0|1,0,0]=3 52 B6R0.4 CCC#CC(C)O SBB067141 [1,0,1,0,0,0|0,0,2]=4 53 B6R0.4 CCCCC(=O)O SBB053585 [1,0,1,0,0,0|1,0,1]=4 54 B6R0.4 CCCCC(C)=O SBB061262 [1,0,1,0,0,0|0,0,2]=4 55 B6R0.4 CCCCC(C)O SBB061290 [1,0,1,0,0,0|0,0,0]=2 56 B6R0.4 CCCCN(C)C SBB060243 [1,0,1,0,0,0|2,0,0]=4 57 B6R0.4 CCOCC(C)O SBB061006 [1,0,1,0,0,0|0,1,0]=3 58 B6R0.3 CCC(C)C(C)C SBB061452 [1,0,1,0,0,0|1,0,0]=3 59 B6R0.6 CCCCCCBr SBB059934 [1,0,1,0,0,0|2,0,0]=4 60 B6R0.6 CCCCCCCl SBB059952 [1,0,1,0,0,0|2,0,0]=4 61 B6R0.6 CCCCCCN SBB059984 [1,0,1,0,0,0|2,0,0]=4 62 B6R0.6 CCCCCCO SBB059899 [1,0,1,0,0,0|1,1,0]=4 63 B6R0.6 CCCCSCC SBB061178 [1,0,1,0,0,0|1,1,0]=4 64 B6R0.6 CCOCCC#N SBB067181 [1,0,1,0,0,0|1,0,1]=4 65 B6R0.6 CCOCCCN SBB028180 [1,0,1,0,0,0|1,0,0]=3 66 B6R1.2 BrC1CCCC1 SBB040823 [2,0,0,0,0,0|2,0,0]=4 67 B6R1.2 F[C@H]1CCNC1 SBB085616 [2,0,0,0,0,0|2,0,0]=4 68 B6R1.2 N1CCC(N)C1 SBB027337 [2,0,0,0,0,0|2,0,0]=4 69 B6R1.2 NC1CCCC1 SBB040467 [2,0,0,0,0,0|2,0,0]=4 70 B6R1.2 NC1CCNC1 SBB003982 [2,0,0,0,0,0|2,0,0]=4 71 B6R1.2 OC1CCNC1 SBB056152 [2,0,0,0,0,0|1,1,0]=4 72 B6R1.2 O[C@H]1CCNC1 SBB004272 [2,0,0,0,0,0|1,1,0]=4 73 B6R1.2 O[C@H]1CCNC1 SBB027336 [2,0,0,0,0,0|1,1,0]=4 74 B6R1.2 O[C@H]1CCOC1 SBB062959 [2,0,0,0,0,0|0,1,0]=3 75 B8R0.16 CCN(CC)CC(C)O SBB060003 [0,1,1,0,0,0|2,0,0]=4 76 B8R0.19 CC(CCl)OC(C)CCl SBB056536 [0,1,1,0,0,0|1,0,0]=3 77 B8R0.19 CCC(C)NC(C)CC SBB059801 [0,1,1,0,0,0|2,0,0]=4 78 B8R0.23 CC(C)CC(O)C(C)C SBB116858 [0,1,1,0,0,0|1,1,0]=4 79 B8R0.23 CC(C)OC(C)C(=O)[O-] SBB080489 [0,1,1,0,0,0|0,1,1]=4 80 B8R0.24 CC(CO)CC(C)(C)C SBB072702 [0,1,1,0,0,0|1,1,0]=4 81 B8R0.34 CC(C)CC(C)(C)CO SBB061316 [0,1,1,0,0,0|1,1,0]=4 82 B8R0.3 C#CC(O)C(C)CCC SBB009074 [0,1,1,0,0,0|1,0,1]=4 83 B8R0.1 C#CCOC(C)OCC SBB008867 [0,1,1,0,0,0|1,0,1]=4 84 B8R0.1 O=C(CCS)OCCO SBB008479 [0,1,1,0,0,0|1,0,1]=4 85 B8R0.22 CCOC(CBr)OCC SBB060139 [0,1,1,0,0,0|2,0,0]=4 86 B8R0.22 CCOC(CCl)OCC SBB060140 [0,1,1,0,0,0|2,0,0]=4 87 B8R0.22 CCOC(CO)OCC SBB056478 [0,1,1,0,0,0|2,0,0]=4 88 B8R0.22 NCC(OCC)OCC SBB004213 [0,1,1,0,0,0|2,0,0]=4 89 B8R1.1 CN1CCC(CCl)C1 SBB012983 [1,1,0,0,0,0|2,0,0]=4 90 B8R1.1 CNC1CCN(C)C1 SBB052021 [1,1,0,0,0,0|2,0,0]=4 91 B8R1.1 O=C1CCC(CCl)O1 SBB074378 [1,1,0,0,0,0|1,0,1]=4 92 B8R1.1 OCC1CC(O)CN1 SBB014445 [1,1,0,0,0,0|1,1,0]=4 93 B10R1.329 CC1=NC(C)(C)CC(C)O1 SBB116853 [0,1,0,0,0,1|1,0,1]=4 94 B10R1.329 CC1CC(N)CC(C)(C)C1 SBB013727 [0,1,0,0,0,1|2,0,0]=4 95 B10R1.63 CC1CNC(C)(C)C(O)C1 SBB002838 [0,1,0,0,0,1|1,1,0]=4 96 B10R1.118 CC1CN(C)C(C)CC1O SBB002819 [0,1,0,0,0,1|1,1,0]=4 97 B8R1.4 CC1CCCC(C)C1 SBB061164 [0,0,1,1,0,0|2,0,0]=4 98 B8R1.4 CC1CCCC(C)N1 SBB004313 [0,0,1,1,0,0|2,0,0]=4 99 B8R1.4 CC1CCCC(O)C1 SBB061310 [0,0,1,1,0,0|1,0,0]=3 100 B8R1.4 CC1CCNC(C)C1 SBB004310 [0,0,1,1,0,0|2,0,0]=4 101 B8R1.4 CC1CNCC(C)C1 SBB027312 [0,0,1,1,0,0|2,0,0]=4 102 B8R1.4 CC1CNCC(C)O1 SBB040955 [0,0,1,1,0,0|1,0,0]=3 103 B8R1.4 C[C@H]1CNC[C@@H](C)N1 SBB056139 [0,0,1,1,0,0|2,0,0]=4 104 B8R1.5 BrC1CCCC[C@@H]1Br SBB060495 [0,0,1,1,0,0|2,0,0]=4 105 B8R1.5 CC1CCCCC1N SBB061724 [0,0,1,1,0,0|2,0,0]=4 106 B8R1.5 CC1CCCNC1C SBB027556 [0,0,1,1,0,0|2,0,0]=4 107 B8R1.5 CC1CNCCC1O SBB300760 [0,0,1,1,0,0|2,0,0]=4 108 B8R1.5 Cl[C@H]1CCCC[C@H]1Cl SBB007831 [0,0,1,1,0,0|2,0,0]=4 109 B8R1.5 FC1CCCCC1Br SBB089745 [0,0,1,1,0,0|2,0,0]=4 110 B8R1.5 N[C@@H]1CCCC[C@H]1N SBB007639 [0,0,1,1,0,0|2,0,0]=4 111 B8R1.5 O[C@@H]1CCCC[C@H]1O SBB007679 [0,0,1,1,0,0|0,1,0]=3 112 B8R1.5 O[C@H]1CCCC[C@H]1O SBB007678 [0,0,1,1,0,0|0,1,0]=3 113 B8R1.7 CC(N)C1CCCO1 SBB020137 [0,0,1,1,0,0|1,0,0]=3 114 B8R1.8 BrCCC1OCCO1 SBB070738 [0,0,1,1,0,0|2,0,0]=4 115 B8R1.8 CCCC1OCCO1 SBB060981 [0,0,1,1,0,0|2,0,0]=4 116 B8R1.8 CCCC1OCCS1 SBB056724 [0,0,1,1,0,0|2,0,0]=4 117 B8R1.8 N#CCC1CCCO1 SBB018702 [0,0,1,1,0,0|1,0,1]=4 118 B8R1.8 NCCC1CCCC1 SBB072011 [0,0,1,1,0,0|2,0,0]=4 119 B8R1.8 OCCC1CCCC1 SBB008459 [0,0,1,1,0,0|1,1,0]=4 120 B8R2.34 C1CC2CC1CN2 SBB013021 [1,0,0,1,0,0|2,0,0]=4 121 B8R2.34 C1OC2CNC1C2 SBB017544 [1,0,0,1,0,0|1,0,0]=3 122 B10R2.178 NC1CCC2CO[C@@H]1O2 SBB018990 [0,0,0,1,0,1|2,0,0]=4 123 B10R2.99 CCC1CC2CCC1C2 SBB060621 [0,1,0,1,0,0|2,0,0]=4 124 B10R2.99 NCC1CC2CCC1C2 SBB010246 [0,1,0,1,0,0|2,0,0]=4 125 B10R2.99 OCC1CC2CCC1C2 SBB008210 [0,1,0,1,0,0|1,1,0]=4 126 B8R0.9 CC(C)COC(=O)CS SBB061005 [0,0,1,0,0,1|1,0,1]=4 127 B8R0.9 CC(C)OCC(O)CN SBB010264 [0,0,1,0,0,1|2,0,0]=4 128 B8R0.9 COC(C)OCC(C)C SBB059866 [0,0,1,0,0,1|2,0,0]=4 129 B8R1.3 CC1CCC(C)CC1 SBB061451 [1,0,0,0,0,1|1,0,0]=3 130 B8R1.3 CC1CCC(O)CC1 SBB060479 [1,0,0,0,0,1|1,1,0]=4 131 B8R1.3 C[C@H]1CC[C@H](N)CC1 SBB069772 [1,0,0,0,0,1|2,0,0]=4 132 B8R1.3 N1CC(C)NCC1C SBB004303 [1,0,0,0,0,1|2,0,0]=4