0 B5R0.4 C=CC(F)(F)Br SBB087186 [0,0,0,0,0,0|3,0,0]=3 1 B5R0.4 C=C[B-](F)(F)F SBB085846 [0,0,0,0,0,0|4,0,0]=4 2 B5R0.4 CC(C)(C)NO SBB056490 [0,0,0,0,0,0|3,0,0]=3 3 B5R0.4 CC(C)(N)C#N SBB043968 [0,0,0,0,0,0|2,0,1]=3 4 B5R0.4 NNC(C)(C)C SBB005864 [0,0,0,0,0,0|3,0,0]=3 5 B4R0.1 CC(Br)CBr SBB060202 [1,0,0,0,0,0|2,0,1]=4 6 B4R0.1 CC(Br)CCl SBB061477 [1,0,0,0,0,0|2,0,1]=4 7 B4R0.1 CC(C)CBr SBB059932 [1,0,0,0,0,0|1,0,1]=3 8 B4R0.1 CC(C)NN SBB002129 [1,0,0,0,0,0|2,0,0]=3 9 B4R0.1 CC(Cl)CCl SBB059979 [1,0,0,0,0,0|2,0,1]=4 10 B4R0.1 CCC(C)Br SBB059931 [1,0,0,0,0,0|1,0,2]=4 11 B4R0.3 CC(C)(C)Br SBB060197 [1,0,0,0,0,0|1,0,1]=3 12 B4R0.3 C[N+](C)(C)C SBB087926 [1,0,0,0,0,0|2,0,1]=4 13 B6R0.5 CC#CC(C)(C)O SBB009136 [0,1,0,0,0,0|0,0,2]=3 14 B6R0.5 CC(C)(C)CCCl SBB059953 [0,1,0,0,0,0|1,0,2]=4 15 B6R0.5 CC(C)(C)CCN SBB059532 [0,1,0,0,0,0|1,0,2]=4 16 B6R0.5 CC(C)(C)N=C=O SBB067148 [0,1,0,0,0,0|2,0,1]=4 17 B6R0.5 CC(C)(C)N=C=S SBB066555 [0,1,0,0,0,0|2,0,1]=4 18 B6R0.5 CC(C)(C)ON=O SBB007659 [0,1,0,0,0,0|3,0,0]=4 19 B6R0.5 CCCC(C)(C)N SBB052122 [0,1,0,0,0,0|1,0,2]=4 20 B6R0.5 CCNC(C)(C)C SBB052124 [0,1,0,0,0,0|1,0,2]=4 21 B6R0.7 C=C(Br)C(F)(F)F SBB088986 [0,1,0,0,0,0|3,0,0]=4 22 B6R0.7 CC(=O)C(C)(C)C SBB060385 [0,1,0,0,0,0|1,0,1]=3 23 B6R0.7 CC(=O)C(C)(C)Cl SBB008903 [0,1,0,0,0,0|1,0,1]=3 24 B6R0.7 CC(=O)C(C)(C)N SBB013635 [0,1,0,0,0,0|1,0,1]=3 25 B6R0.7 CC(C)(Br)C(=O)O SBB065985 [0,1,0,0,0,0|2,0,0]=3 26 B6R0.7 CC(C)(C)C(=N)N SBB072322 [0,1,0,0,0,0|2,0,0]=3 27 B6R0.7 CC(C)(C)C(=O)Cl SBB060922 [0,1,0,0,0,0|2,0,0]=3 28 B6R0.7 CC(C)(C)C(N)=O SBB028170 [0,1,0,0,0,0|2,0,0]=3 29 B6R0.7 CC(C)(C)[S@](N)=O SBB056498 [0,1,0,0,0,0|3,0,0]=4 30 B6R0.7 CC(C)(N)C(=O)O SBB028178 [0,1,0,0,0,0|2,0,0]=3 31 B6R0.7 CC(C)(O)C(=O)O SBB065771 [0,1,0,0,0,0|1,0,0]=2 32 B6R0.7 NC(C)C(C)(C)C SBB005830 [0,1,0,0,0,0|1,0,2]=4 33 B6R0.8 C#CC(C)(C)OC SBB014168 [0,1,0,0,0,0|0,0,2]=3 34 B6R0.8 C#CC(C)(N)CC SBB001893 [0,1,0,0,0,0|1,0,2]=4 35 B6R0.8 C#CC(C)(O)CC SBB002148 [0,1,0,0,0,0|0,0,2]=3 36 B6R0.8 CC(C)(CN)CN SBB061381 [0,1,0,0,0,0|2,0,1]=4 37 B6R0.8 CC(C)(CN)CO SBB028181 [0,1,0,0,0,0|1,0,1]=3 38 B6R0.8 CC(C)(CO)CO SBB056814 [0,1,0,0,0,0|1,0,1]=3 39 B6R0.8 CCC(C)(O)CC SBB060948 [0,1,0,0,0,0|0,0,2]=3 40 B6R0.8 CNC(C)(C)C#N SBB078156 [0,1,0,0,0,0|2,0,1]=4 41 B6R0.8 OCC(C)(CO)N SBB004360 [0,1,0,0,0,0|2,0,1]=4 42 B6R1.7 CC1(CCl)CO1 SBB054966 [0,0,0,1,0,0|1,0,1]=3 43 B6R1.7 CC1(CO)CC1 SBB084505 [0,0,0,1,0,0|2,0,1]=4 44 B6R1.7 N#CC1(N)CC1 SBB068454 [0,0,0,1,0,0|2,0,1]=4 45 B6R1.10 CC1(N)CCC1 SBB072407 [0,0,0,1,0,0|1,0,2]=4 46 B3R0.1 C=CCBr SBB059929 [2,0,0,0,0,0|1,0,0]=3 47 B3R0.1 CCCBr SBB040931 [2,0,0,0,0,0|1,0,1]=4 48 B3R0.1 C\C=C\Cl SBB059896 [2,0,0,0,0,0|1,0,1]=4 49 B3R0.1 OCCBr SBB058668 [2,0,0,0,0,0|1,0,1]=4 50 B3R0.2 CC(C)Br SBB060452 [2,0,0,0,0,0|1,0,0]=3 51 B5R0.1 CC(C)=CCBr SBB061690 [1,1,0,0,0,0|0,0,2]=4 52 B5R0.1 CC(C)CCBr SBB061181 [1,1,0,0,0,0|0,0,2]=4 53 B5R0.1 CC(C)CCO SBB060162 [1,1,0,0,0,0|0,0,2]=4 54 B5R0.1 CC(C)CNN SBB042741 [1,1,0,0,0,0|1,0,1]=4 55 B5R0.1 CC(C)N=C=O SBB046976 [1,1,0,0,0,0|1,0,1]=4 56 B5R0.1 CC(C)N=C=S SBB056455 [1,1,0,0,0,0|1,0,1]=4 57 B5R0.1 CC(C)SC#N SBB060088 [1,1,0,0,0,0|1,0,1]=4 58 B5R0.3 C#CC(O)C=C SBB009126 [1,1,0,0,0,0|0,0,1]=3 59 B5R0.3 C=CC(Cl)CCl SBB060215 [1,1,0,0,0,0|1,0,0]=3 60 B5R0.3 C=CC(O)CBr SBB007652 [1,1,0,0,0,0|0,0,0]=2 61 B5R0.3 CCC(C)CBr SBB007669 [1,1,0,0,0,0|0,0,2]=4 62 B5R0.3 OC(CCl)CCl SBB060190 [1,1,0,0,0,0|1,0,1]=4 63 B5R0.3 OCC(O)CCl SBB060480 [1,1,0,0,0,0|1,0,1]=4 64 B5R0.5 CC(=O)C(C)Cl SBB060958 [1,1,0,0,0,0|1,0,1]=4 65 B5R0.5 CC(=S)N(C)C SBB007924 [1,1,0,0,0,0|1,0,1]=4 66 B5R0.5 CC(Br)C(=O)O SBB060286 [1,1,0,0,0,0|2,0,0]=4 67 B5R0.5 CC(C)C(=N)N SBB056456 [1,1,0,0,0,0|1,0,0]=3 68 B5R0.5 CC(C)C(=O)Cl SBB060269 [1,1,0,0,0,0|1,0,0]=3 69 B5R0.5 CC(O)C(=O)O SBB065762 [1,1,0,0,0,0|1,0,0]=3 70 B5R0.5 CN(C)C(=O)Cl SBB040876 [1,1,0,0,0,0|2,0,0]=4 71 B5R0.5 CN(C)C(=O)[O-] SBB059132 [1,1,0,0,0,0|2,0,0]=4 72 B5R0.5 CN(C)C(=S)Cl SBB085540 [1,1,0,0,0,0|2,0,0]=4 73 B5R0.5 [NH2+]=C(N)N(C)C SBB059825 [1,1,0,0,0,0|2,0,0]=4 74 B7R0.8 C=CC#CC(C)(C)O SBB072705 [0,2,0,0,0,0|0,0,0]=2 75 B7R0.9 CC(=O)CC(C)(C)O SBB009084 [0,2,0,0,0,0|0,0,1]=3 76 B7R0.9 CC(=O)NC(C)(C)C SBB008192 [0,2,0,0,0,0|1,0,1]=4 77 B7R0.9 CC(C)(C)CC(=O)Cl SBB058618 [0,2,0,0,0,0|1,0,1]=4 78 B7R0.9 CC(C)(C)CC(=O)O SBB061347 [0,2,0,0,0,0|1,0,1]=4 79 B7R0.9 CC(C)(C)NC(N)=O SBB008606 [0,2,0,0,0,0|2,0,0]=4 80 B7R0.9 CC(C)(O)CC(=O)O SBB053604 [0,2,0,0,0,0|0,0,1]=3 81 B7R0.9 CC(C)=CC(C)(C)C SBB060469 [0,2,0,0,0,0|1,0,0]=3 82 B7R0.9 CC(O)CC(C)(C)O SBB061336 [0,2,0,0,0,0|0,0,2]=4 83 B7R0.11 C#CC(C)(O)CCC SBB002538 [0,2,0,0,0,0|0,0,2]=4 84 B7R0.14 CC(C)(C)C(=O)CBr SBB006551 [0,2,0,0,0,0|1,0,1]=4 85 B7R0.14 CC(C)(C)C(=O)CCl SBB006668 [0,2,0,0,0,0|1,0,1]=4 86 B7R0.14 CC(C)(C)C(=O)NN SBB017628 [0,2,0,0,0,0|2,0,0]=4 87 B7R0.14 CC(C)(O)C(=O)NN SBB073233 [0,2,0,0,0,0|1,0,0]=3 88 B7R0.14 CNC(=O)C(C)(C)C SBB007942 [0,2,0,0,0,0|1,0,1]=4 89 B7R0.14 C\C(=N/O)C(C)(C)C SBB007770 [0,2,0,0,0,0|1,0,1]=4 90 B7R0.14 C\C(=N/O)C(C)(C)O SBB058302 [0,2,0,0,0,0|0,0,1]=3 91 B7R0.13 C#CC(C)(O)C(C)C SBB008720 [0,2,0,0,0,0|0,0,2]=4 92 B7R0.13 CC(Br)(CBr)C(=O)O SBB069110 [0,2,0,0,0,0|2,0,0]=4 93 B7R0.13 CC(C)(CO)C(=O)O SBB053589 [0,2,0,0,0,0|1,0,0]=3 94 B7R0.13 CC(Cl)(CCl)C(=O)O SBB060998 [0,2,0,0,0,0|2,0,0]=4 95 B7R0.13 CCC(C)(C)C(=O)O SBB065772 [0,2,0,0,0,0|0,0,2]=4 96 B7R0.17 CC(C)(C)C(C)(C)O SBB057393 [0,2,0,0,0,0|0,0,2]=4 97 B7R0.17 CC(C)(O)C(Cl)(Cl)Cl SBB058738 [0,2,0,0,0,0|1,0,1]=4 98 B7R0.18 CC(CO)(CO)CO SBB060191 [0,2,0,0,0,0|1,0,1]=4 99 B7R0.18 CCC(O)(CC)CC SBB061141 [0,2,0,0,0,0|0,0,2]=4 100 B5R1.2 OC1CNC1 SBB056270 [1,0,0,1,0,0|1,0,1]=4 101 B5R1.3 BrCC1CC1 SBB054967 [1,0,0,1,0,0|1,0,1]=4 102 B5R1.3 NCC1CC1 SBB047771 [1,0,0,1,0,0|1,0,1]=4 103 B5R1.3 OCC1CC1 SBB059473 [1,0,0,1,0,0|1,0,1]=4 104 B7R1.14 CC1(C)COCN1 SBB059841 [0,1,0,1,0,0|1,0,1]=4 105 B7R1.26 CC(C)(O)C1CC1 SBB059210 [0,1,0,1,0,0|0,0,2]=4 106 B7R1.19 CC1(C(=O)Cl)CC1 SBB053677 [0,1,0,1,0,0|2,0,0]=4 107 B7R1.19 CC1(C(=O)O)CC1 SBB053429 [0,1,0,1,0,0|2,0,0]=4 108 B7R1.19 NC1(C(=O)O)CC1 SBB059531 [0,1,0,1,0,0|2,0,0]=4 109 B7R1.19 NC1(C(=O)O)CC1 SBB065741 [0,1,0,1,0,0|2,0,0]=4 110 B7R1.25 CC1(CN)COC1 SBB303303 [0,1,0,1,0,0|1,0,1]=4 111 B7R1.25 CC1(CO)COC1 SBB006512 [0,1,0,1,0,0|1,0,1]=4 112 B7R1.25 CC1(CO)COC1 SBB009078 [0,1,0,1,0,0|1,0,1]=4 113 B7R1.29 OCC1(CO)CC1 SBB054861 [0,1,0,1,0,0|1,0,1]=4