0 B6R0.5 CC(C)(C)CCCl SBB059953 [0,0,0,0,0,0|2,0,0]=2 1 B6R0.5 CC(C)(C)CCN SBB059532 [0,0,0,0,0,0|2,0,0]=2 2 B6R0.5 CC(C)(C)N=C=O SBB067148 [0,0,0,0,0,0|2,0,2]=4 3 B6R0.5 CC(C)(C)N=C=S SBB066555 [0,0,0,0,0,0|2,1,1]=4 4 B6R0.5 CC(C)(C)ON=O SBB007659 [0,0,0,0,0,0|3,0,1]=4 5 B6R0.5 CCCC(C)(C)N SBB052122 [0,0,0,0,0,0|3,0,0]=3 6 B6R0.5 CCNC(C)(C)C SBB052124 [0,0,0,0,0,0|3,0,0]=3 7 B6R0.5 CS(=O)(=O)CCN SBB047603 [0,0,0,0,0,0|4,0,0]=4 8 B6R0.5 C[N+](C)(C)CCO SBB060960 [0,0,0,0,0,0|0,0,0]=0 9 B5R0.1 CC(C)=CCBr SBB061690 [1,0,0,0,0,0|2,0,1]=4 10 B5R0.1 CC(C)CCBr SBB061181 [1,0,0,0,0,0|2,0,0]=3 11 B5R0.1 CC(C)CCO SBB060162 [1,0,0,0,0,0|1,0,0]=2 12 B5R0.1 CC(C)CNN SBB042741 [1,0,0,0,0,0|3,0,0]=4 13 B5R0.1 CN(C)CCBr SBB073020 [1,0,0,0,0,0|1,0,1]=3 14 B5R0.1 CN(C)CCN SBB007533 [1,0,0,0,0,0|1,0,1]=3 15 B5R0.1 CS(=O)CCN SBB050811 [1,0,0,0,0,0|3,0,0]=4 16 B5R0.1 [NH+](C)(C)CCCl SBB057087 [1,0,0,0,0,0|1,0,0]=2 17 B5R0.4 CC(C)(C)NO SBB056490 [1,0,0,0,0,0|2,0,0]=3 18 B5R0.4 NNC(C)(C)C SBB005864 [1,0,0,0,0,0|3,0,0]=4 19 B7R0.8 CC(C)(C)OCCO SBB060172 [0,1,0,0,0,0|1,0,0]=2 20 B7R0.8 CCNCC(C)(C)C SBB080378 [0,1,0,0,0,0|2,0,0]=3 21 B7R0.8 CNCCC(C)(C)C SBB080385 [0,1,0,0,0,0|2,0,0]=3 22 B7R0.9 CC(C)(C)CC(=O)Cl SBB058618 [0,1,0,0,0,0|1,0,2]=4 23 B7R0.9 CC(C)(C)CC(=O)O SBB061347 [0,1,0,0,0,0|1,0,1]=3 24 B7R0.9 CC(C)(O)CC(=O)O SBB053604 [0,1,0,0,0,0|2,0,1]=4 25 B7R0.9 CC(O)CC(C)(C)N SBB084391 [0,1,0,0,0,0|2,0,0]=3 26 B7R0.9 CC(O)CC(C)(C)O SBB061336 [0,1,0,0,0,0|2,0,0]=3 27 B7R0.9 C[N+](C)(C)CC(=O)[O-] SBB060872 [0,1,0,0,0,0|0,0,2]=3 28 B7R0.9 N(C(C)C)C(C)(C)C SBB006672 [0,1,0,0,0,0|3,0,0]=4 29 B7R0.11 CCS(=O)(=O)CCO SBB008148 [0,1,0,0,0,0|3,0,0]=4 30 B7R0.14 CC(C)(C)C(=O)CBr SBB006551 [0,1,0,0,0,0|2,0,1]=4 31 B7R0.14 CC(C)(C)C(=O)CCl SBB006668 [0,1,0,0,0,0|2,0,1]=4 32 B7R0.14 CCC(O)C(C)(C)C SBB008540 [0,1,0,0,0,0|2,0,0]=3 33 B7R0.14 C\C(=N/O)C(C)(C)C SBB007770 [0,1,0,0,0,0|2,0,1]=4 34 B7R1.14 CC1(C)COCN1 SBB059841 [0,0,0,1,0,0|2,0,0]=3 35 B7R1.26 CC(C)(O)C1CC1 SBB059210 [0,0,0,1,0,0|3,0,0]=4 36 B4R0.1 CC(C)CBr SBB059932 [2,0,0,0,0,0|2,0,0]=4 37 B4R0.1 CCC(C)Br SBB059931 [2,0,0,0,0,0|2,0,0]=4 38 B4R0.1 CCN(C)N SBB107453 [2,0,0,0,0,0|1,0,1]=4 39 B4R0.2 CCCCBr SBB059930 [2,0,0,0,0,0|2,0,0]=4 40 B4R0.2 CNCCI SBB071605 [2,0,0,0,0,0|1,0,1]=4 41 B4R0.2 COCCBr SBB007906 [2,0,0,0,0,0|2,0,0]=4 42 B4R0.2 OCCCBr SBB054750 [2,0,0,0,0,0|2,0,0]=4 43 B4R0.3 CC(C)(C)Br SBB060197 [2,0,0,0,0,0|2,0,0]=4 44 B4R0.3 C[N+](C)(C)C SBB087926 [2,0,0,0,0,0|0,0,0]=2 45 B6R0.1 CCCC(C)CO SBB061282 [1,1,0,0,0,0|2,0,0]=4 46 B6R0.1 CNC(C)CCO SBB046542 [1,1,0,0,0,0|1,0,0]=3 47 B6R0.2 CC(C)CB(O)O SBB062832 [1,1,0,0,0,0|2,0,0]=4 48 B6R0.2 CC(C)CC(C)Br SBB007950 [1,1,0,0,0,0|2,0,0]=4 49 B6R0.2 CC(C)CC(C)O SBB061337 [1,1,0,0,0,0|1,0,0]=3 50 B6R0.2 CC(O)CN(C)C SBB060002 [1,1,0,0,0,0|0,0,1]=3 51 B6R0.2 CN(C)CC(=O)O SBB065779 [1,1,0,0,0,0|0,0,2]=4 52 B6R0.2 [NH+](C)(C)CC(=O)O SBB061663 [1,1,0,0,0,0|0,0,1]=3 53 B6R0.3 CC(CN)N(C)C SBB043927 [1,1,0,0,0,0|1,0,1]=4 54 B6R0.3 CCC(C)C(C)C SBB061452 [1,1,0,0,0,0|2,0,0]=4 55 B6R0.4 CC(=O)NCCO SBB007954 [1,1,0,0,0,0|2,0,0]=4 56 B6R0.4 CC(C)NCCN SBB048119 [1,1,0,0,0,0|2,0,0]=4 57 B6R0.4 CC(C)NCCO SBB056428 [1,1,0,0,0,0|1,0,0]=3 58 B6R0.4 CC(C)OCCN SBB301616 [1,1,0,0,0,0|2,0,0]=4 59 B6R0.4 CCCCN(C)C SBB060243 [1,1,0,0,0,0|1,0,1]=4 60 B6R0.4 CN(C)CCC#N SBB068380 [1,1,0,0,0,0|1,0,1]=4 61 B6R0.4 CN(C)CCCN SBB028177 [1,1,0,0,0,0|1,0,1]=4 62 B6R0.7 CC(=O)C(C)(C)C SBB060385 [1,1,0,0,0,0|1,0,1]=4 63 B6R0.7 NC(C)C(C)(C)C SBB005830 [1,1,0,0,0,0|1,0,0]=3 64 B6R0.8 CC(C)(CN)CN SBB061381 [1,1,0,0,0,0|2,0,0]=4 65 B6R0.8 CC(C)(CN)CO SBB028181 [1,1,0,0,0,0|1,0,0]=3 66 B6R0.8 CC(C)(CO)CO SBB056814 [1,1,0,0,0,0|1,0,0]=3 67 B6R0.8 CCC(C)(O)CC SBB060948 [1,1,0,0,0,0|2,0,0]=4 68 B6R0.8 OCC(C)(CO)N SBB004360 [1,1,0,0,0,0|2,0,0]=4 69 B8R0.24 CC(CO)CC(C)(C)C SBB072702 [0,2,0,0,0,0|1,0,0]=3 70 B8R0.24 C[N+](C)(C)CC(=O)NN SBB058026 [0,2,0,0,0,0|0,0,2]=4 71 B8R0.25 CC(C)(CO)CCCN SBB007685 [0,2,0,0,0,0|2,0,0]=4 72 B8R0.25 CCC(C)(C)OCCO SBB061089 [0,2,0,0,0,0|1,0,0]=3 73 B8R0.29 CC(C)(N)CCC(=O)O SBB019066 [0,2,0,0,0,0|2,0,0]=4 74 B8R0.27 CC(C)(C)[C@H](N)C(=O)O SBB006594 [0,2,0,0,0,0|1,0,1]=4 75 B8R0.33 CC(C)(C)CC(C)(C)N SBB058651 [0,2,0,0,0,0|2,0,0]=4 76 B8R0.34 CC(C)CC(C)(C)CO SBB061316 [0,2,0,0,0,0|2,0,0]=4 77 B6R1.2 O[C@H]1CCOC1 SBB062959 [1,0,0,1,0,0|2,0,0]=4 78 B6R1.7 CC1(CO)CC1 SBB084505 [1,0,0,1,0,0|1,0,0]=3 79 B8R1.72 CC1(C)CCCNC1 SBB027276 [0,1,0,1,0,0|2,0,0]=4 80 B8R1.72 CC1(C)CCOCO1 SBB060068 [0,1,0,1,0,0|1,0,0]=3 81 B8R1.72 C[N+]1(C)CCOCC1 SBB057461 [0,1,0,1,0,0|0,0,0]=2 82 B8R1.72 C[N+]1([O-])CCOCC1 SBB058349 [0,1,0,1,0,0|1,0,0]=3 83 B8R1.77 CC1(C)CC1C(=O)O SBB053459 [0,1,0,1,0,0|1,0,1]=4