0 B6R0.1 CCC(C)N=C=S SBB021425 [0,0,0,0,0,0|2,1,1]=4 1 B6R0.1 CCC(O)COC SBB072708 [0,0,0,0,0,0|4,0,0]=4 2 B6R0.1 CCCC(C)CO SBB061282 [0,0,0,0,0,0|3,0,1]=4 3 B6R0.1 CCCC(O)CC SBB061363 [0,0,0,0,0,0|3,0,1]=4 4 B6R0.1 CNC(C)CCO SBB046542 [0,0,0,0,0,0|1,0,2]=3 5 B6R0.1 CNCC(C)OC SBB049894 [0,0,0,0,0,0|2,1,0]=3 6 B5R0.1 CC(C)CCBr SBB061181 [1,0,0,0,0,0|1,0,1]=3 7 B5R0.1 CC(C)CCO SBB060162 [1,0,0,0,0,0|0,0,2]=3 8 B5R0.1 CC(C)CNN SBB042741 [1,0,0,0,0,0|2,0,0]=3 9 B5R0.1 CC(C)N=C=O SBB046976 [1,0,0,0,0,0|1,0,1]=3 10 B5R0.1 CC(C)N=C=S SBB056455 [1,0,0,0,0,0|1,1,1]=4 11 B5R0.1 CC(C)SC#N SBB060088 [1,0,0,0,0,0|2,0,1]=4 12 B5R0.1 CN(C)CCBr SBB073020 [1,0,0,0,0,0|2,0,1]=4 13 B5R0.1 CN(C)CCN SBB007533 [1,0,0,0,0,0|2,0,1]=4 14 B5R0.1 [NH+](C)(C)CCCl SBB057087 [1,0,0,0,0,0|2,0,1]=4 15 B5R0.2 CCCCCBr SBB059933 [1,0,0,0,0,0|2,0,1]=4 16 B5R0.2 CCCCCCl SBB059951 [1,0,0,0,0,0|2,0,1]=4 17 B5R0.2 CNCCCN SBB059823 [1,0,0,0,0,0|2,0,1]=4 18 B5R0.2 CSCCCO SBB056451 [1,0,0,0,0,0|0,0,2]=3 19 B5R0.3 CCC(C)CBr SBB007669 [1,0,0,0,0,0|2,0,0]=3 20 B5R0.3 CCC(Cl)CCl SBB060453 [1,0,0,0,0,0|3,0,0]=4 21 B5R0.3 CCC(N)CC SBB000050 [1,0,0,0,0,0|2,0,1]=4 22 B5R0.3 CCC(N)CC SBB071911 [1,0,0,0,0,0|2,0,1]=4 23 B5R0.3 O=CC(Br)C=O SBB069441 [1,0,0,0,0,0|3,0,0]=4 24 B7R0.2 CCC(C)CC(=O)O SBB008180 [0,1,0,0,0,0|1,0,0]=2 25 B7R0.2 CCC(C)NC(N)=O SBB008605 [0,1,0,0,0,0|2,0,0]=3 26 B7R0.2 COC(=O)CC(C)=O SBB060889 [0,1,0,0,0,0|1,1,1]=4 27 B7R0.2 NC[C@@H](O)CC(=O)O SBB065945 [0,1,0,0,0,0|3,0,0]=4 28 B7R0.3 CCC(C)CN=C=S SBB085743 [0,1,0,0,0,0|1,1,1]=4 29 B7R0.5 CC(CCN)N(C)C SBB046536 [0,1,0,0,0,0|2,0,1]=4 30 B7R0.5 CC(CCO)N(C)C SBB046554 [0,1,0,0,0,0|1,0,2]=4 31 B7R0.5 CC(NC=O)C(=O)O SBB047145 [0,1,0,0,0,0|3,0,0]=4 32 B7R0.5 CCCC(C)C(C)O SBB061491 [0,1,0,0,0,0|2,0,1]=4 33 B7R0.7 CCNC(C)CCO SBB046562 [0,1,0,0,0,0|1,0,2]=4 34 B7R0.10 COC(=O)C(Cl)C=O SBB072103 [0,1,0,0,0,0|1,1,1]=4 35 B7R0.10 OC[C@H]([C@@H](C)CC)N SBB027248 [0,1,0,0,0,0|1,0,2]=4 36 B7R1.2 N1N=C(C)CC1=O SBB004372 [0,0,0,1,0,0|2,0,1]=4 37 B7R1.2 N=C1/SCC(=O)N1 SBB004297 [0,0,0,1,0,0|2,0,1]=4 38 B7R1.2 NC1=NC(=O)CS1 SBB051924 [0,0,0,1,0,0|2,0,1]=4 39 B7R1.2 O=C1COC(=O)C1 SBB008561 [0,0,0,1,0,0|1,1,1]=4 40 B7R1.2 O=C1CSC(=O)N1 SBB000047 [0,0,0,1,0,0|2,0,1]=4 41 B7R1.2 O=C1CSC(=S)N1 SBB000066 [0,0,0,1,0,0|2,0,1]=4 42 B7R1.2 O=C1CSC(S)=N1 SBB042652 [0,0,0,1,0,0|2,0,1]=4 43 B7R1.2 O=C1C[C@H](O)CO1 SBB055783 [0,0,0,1,0,0|3,0,0]=4 44 B7R1.3 CC1CC=CCC1 SBB060473 [0,0,0,1,0,0|2,0,0]=3 45 B7R1.3 CC1CCCCC1 SBB061163 [0,0,0,1,0,0|2,0,1]=4 46 B7R1.3 CC1SCCCS1 SBB056211 [0,0,0,1,0,0|2,0,1]=4 47 B7R1.3 N1CCC(C)CC1 SBB027302 [0,0,0,1,0,0|2,0,1]=4 48 B7R1.3 N1CCCC(C)C1 SBB027301 [0,0,0,1,0,0|3,0,0]=4 49 B7R1.3 N1CCCCC1C SBB027300 [0,0,0,1,0,0|2,0,1]=4 50 B7R1.3 N1CCNC(C)C1 SBB027299 [0,0,0,1,0,0|3,0,0]=4 51 B7R1.6 N#CCC1CCC1 SBB071683 [0,0,0,1,0,0|2,0,1]=4 52 B7R1.10 C=C1CC(C#N)C1 SBB056184 [0,0,0,1,0,0|3,0,0]=4 53 B7R1.10 C=C1CC(CN)C1 SBB052508 [0,0,0,1,0,0|3,0,0]=4 54 B7R1.10 O=C1CC(CO)C1 SBB054867 [0,0,0,1,0,0|2,0,0]=3 55 B4R0.1 CC(Br)CBr SBB060202 [2,0,0,0,0,0|2,0,0]=4 56 B4R0.1 CC(Br)CCl SBB061477 [2,0,0,0,0,0|2,0,0]=4 57 B4R0.1 CC(C)CBr SBB059932 [2,0,0,0,0,0|1,0,0]=3 58 B4R0.1 CC(C)NN SBB002129 [2,0,0,0,0,0|2,0,0]=4 59 B4R0.1 CC(Cl)CCl SBB059979 [2,0,0,0,0,0|2,0,0]=4 60 B4R0.1 CCC(C)Br SBB059931 [2,0,0,0,0,0|1,0,1]=4 61 B4R0.2 CCCCBr SBB059930 [2,0,0,0,0,0|1,0,1]=4 62 B4R0.2 CNCCI SBB071605 [2,0,0,0,0,0|2,0,0]=4 63 B4R0.2 COCCBr SBB007906 [2,0,0,0,0,0|1,1,0]=4 64 B4R0.2 C\C=C\CC SBB059879 [2,0,0,0,0,0|1,0,1]=4 65 B6R0.2 CC(=O)C=C(C)C SBB040870 [1,1,0,0,0,0|0,0,2]=4 66 B6R0.2 CC(=O)CC(C)=O SBB009914 [1,1,0,0,0,0|0,1,1]=4 67 B6R0.2 CC(=O)CC(C)C SBB060384 [1,1,0,0,0,0|0,0,0]=2 68 B6R0.2 CC(=O)CC(N)=O SBB061675 [1,1,0,0,0,0|0,1,1]=4 69 B6R0.2 CC(C)=CC(=O)O SBB065769 [1,1,0,0,0,0|0,0,2]=4 70 B6R0.2 CC(C)CB(O)O SBB062832 [1,1,0,0,0,0|1,0,1]=4 71 B6R0.2 CC(C)CC(=O)Cl SBB040623 [1,1,0,0,0,0|0,0,0]=2 72 B6R0.2 CC(C)CC(C)Br SBB007950 [1,1,0,0,0,0|1,0,1]=4 73 B6R0.2 CC(C)CC(C)O SBB061337 [1,1,0,0,0,0|0,0,2]=4 74 B6R0.2 CC(C)CC(N)=O SBB028167 [1,1,0,0,0,0|0,0,0]=2 75 B6R0.2 CC(O)CC(=O)O SBB065815 [1,1,0,0,0,0|0,1,0]=3 76 B6R0.2 CN(C)CC(=O)O SBB065779 [1,1,0,0,0,0|1,0,0]=3 77 B6R0.2 [NH+](C)(C)CC(=O)O SBB061663 [1,1,0,0,0,0|1,0,0]=3 78 B6R0.3 C#CC(O)C(C)C SBB009138 [1,1,0,0,0,0|1,0,1]=4 79 B6R0.3 CCC(C)C(C)C SBB061452 [1,1,0,0,0,0|1,0,1]=4 80 B6R0.4 C=COCC(C)C SBB060157 [1,1,0,0,0,0|1,0,0]=3 81 B6R0.4 CC(C)CN=C=S SBB017613 [1,1,0,0,0,0|0,1,1]=4 82 B6R0.4 CC(C)COC=O SBB061244 [1,1,0,0,0,0|0,0,0]=2 83 B6R0.4 CC(C)NCCN SBB048119 [1,1,0,0,0,0|1,0,1]=4 84 B6R0.4 CC(C)NCCO SBB056428 [1,1,0,0,0,0|0,0,2]=4 85 B6R0.4 CC(C)OCCN SBB301616 [1,1,0,0,0,0|1,0,1]=4 86 B6R0.5 CC(C)(C)CCCl SBB059953 [1,1,0,0,0,0|1,0,1]=4 87 B6R0.5 CC(C)(C)CCN SBB059532 [1,1,0,0,0,0|1,0,1]=4 88 B6R0.5 CC(C)(C)N=C=O SBB067148 [1,1,0,0,0,0|1,0,1]=4 89 B6R0.5 CC(C)(C)ON=O SBB007659 [1,1,0,0,0,0|2,0,0]=4 90 B6R0.5 CCCC(C)(C)N SBB052122 [1,1,0,0,0,0|1,0,1]=4 91 B6R0.5 O=CCC(F)(F)F SBB017338 [1,1,0,0,0,0|2,0,0]=4 92 B6R0.6 C=CCCCCBr SBB054740 [1,1,0,0,0,0|2,0,0]=4 93 B6R0.6 C=CCCCCC SBB059882 [1,1,0,0,0,0|2,0,0]=4 94 B6R0.6 CCCCNC=O SBB060026 [1,1,0,0,0,0|1,0,0]=3 95 B6R0.6 CCCCOC=O SBB060300 [1,1,0,0,0,0|1,0,0]=3 96 B6R0.6 CCCCSCC SBB061178 [1,1,0,0,0,0|1,0,1]=4 97 B6R0.6 CCC\C=C\C=O SBB067097 [1,1,0,0,0,0|1,0,1]=4 98 B6R0.8 CCC(C)(O)CC SBB060948 [1,1,0,0,0,0|1,0,1]=4 99 B6R0.9 C=CC(CCl)OC SBB061093 [1,1,0,0,0,0|0,1,1]=4 100 B6R0.9 CCC(C=O)CC SBB059875 [1,1,0,0,0,0|1,0,0]=3 101 B6R0.9 CCC(CC)CBr SBB059935 [1,1,0,0,0,0|1,0,1]=4 102 B6R0.9 CCC(CC)CN SBB028171 [1,1,0,0,0,0|1,0,1]=4 103 B6R0.9 CCC(CC)CO SBB059900 [1,1,0,0,0,0|1,0,1]=4 104 B6R0.9 CCC(CN)OC SBB302370 [1,1,0,0,0,0|0,1,1]=4 105 B6R0.9 CCN(C=O)CC SBB056822 [1,1,0,0,0,0|2,0,0]=4 106 B8R0.2 CCC(C)C(Br)C(=O)O SBB069132 [0,2,0,0,0,0|1,0,0]=3 107 B8R0.2 [C@H](C)(CC)[C@H](N)C(=O)O SBB037854 [0,2,0,0,0,0|1,0,0]=3 108 B8R0.2 [NH3+][C@H](C(=O)[O-])[C@H](C)OC SBB069865 [0,2,0,0,0,0|0,1,0]=3 109 B8R0.5 CCCC(C)CC(=O)O SBB061321 [0,2,0,0,0,0|1,0,0]=3 110 B8R0.16 CCN(CC)CC(=O)O SBB010260 [0,2,0,0,0,0|2,0,0]=4 111 B8R0.19 CCC(=O)OC(C)CC SBB061103 [0,2,0,0,0,0|2,0,0]=4 112 B8R0.23 CC(=O)CC(C)C(=O)O SBB053608 [0,2,0,0,0,0|2,0,0]=4 113 B8R0.23 CC(CC(=O)O)C(=O)O SBB061436 [0,2,0,0,0,0|2,0,0]=4 114 B8R0.34 CCC(C)(C)NC(C)=O SBB056853 [0,2,0,0,0,0|2,0,0]=4 115 B8R0.34 CCC(C)(C)OC(C)=O SBB060028 [0,2,0,0,0,0|2,0,0]=4 116 B8R0.3 O=CC[C@H](O)[C@H](O)CO SBB067136 [0,2,0,0,0,0|2,0,0]=4 117 B6R1.1 C1CSCCN1 SBB056209 [1,0,0,1,0,0|2,0,0]=4 118 B6R1.1 C1CSCCO1 SBB060674 [1,0,0,1,0,0|2,0,0]=4 119 B6R1.1 C1CSCSC1 SBB061220 [1,0,0,1,0,0|0,1,1]=4 120 B6R1.7 CC1(CCl)CO1 SBB054966 [1,0,0,1,0,0|1,1,0]=4 121 B6R1.7 CC1(CO)CC1 SBB084505 [1,0,0,1,0,0|1,0,1]=4 122 B8R1.1 CCC1COC(=O)O1 SBB008625 [0,1,0,1,0,0|2,0,0]=4 123 B8R1.1 O=C1CCC(CCl)O1 SBB074378 [0,1,0,1,0,0|2,0,0]=4 124 B8R1.1 OC[C@@H]1CCC(=O)N1 SBB004302 [0,1,0,1,0,0|2,0,0]=4 125 B8R1.18 CC1=NN(C)C(=O)C1 SBB055838 [0,1,0,1,0,0|1,0,1]=4 126 B8R1.34 O=C(O)CC1CCC1 SBB050298 [0,1,0,1,0,0|1,0,0]=3 127 B8R1.2 OCC1CC=CCC1 SBB054865 [0,1,0,1,0,0|2,0,0]=4 128 B8R1.3 CN1CCC(=O)CC1 SBB080527 [0,1,0,1,0,0|2,0,0]=4 129 B8R1.3 O=C1CCC(O)CC1 SBB056283 [0,1,0,1,0,0|2,0,0]=4 130 B8R1.50 CC1=C(C)C(=O)NC1 SBB055792 [0,1,0,1,0,0|1,0,1]=4 131 B8R1.23 O=C1CC(C(=O)O)C1 SBB053464 [0,1,0,1,0,0|2,0,0]=4 132 B8R1.8 C=CCC1CCCC1 SBB008872 [0,1,0,1,0,0|2,0,0]=4 133 B8R1.8 CCCC1OCCS1 SBB056724 [0,1,0,1,0,0|1,0,1]=4