0 B5R0.1 C#CCC(=O)O SBB116169 [0,0,0,0,0,0|2,0,2]=4 1 B5R0.1 CC(=O)CC#N SBB014113 [0,0,0,0,0,0|1,0,3]=4 2 B5R0.1 CC(C)=CCBr SBB061690 [0,0,0,0,0,0|2,0,2]=4 3 B5R0.1 CC(C)CCBr SBB061181 [0,0,0,0,0,0|2,0,0]=2 4 B5R0.1 CC(C)CCO SBB060162 [0,0,0,0,0,0|1,0,0]=1 5 B5R0.1 CC(C)CNN SBB042741 [0,0,0,0,0,0|3,0,0]=3 6 B5R0.1 CC(C)N=C=O SBB046976 [0,0,0,0,0,0|2,0,2]=4 7 B5R0.1 CC(C)N=C=S SBB056455 [0,0,0,0,0,0|2,1,1]=4 8 B5R0.1 CC(C)SC#N SBB060088 [0,0,0,0,0,0|3,0,1]=4 9 B5R0.1 CCCC(=O)Cl SBB040624 [0,0,0,0,0,0|2,0,2]=4 10 B5R0.1 CN(C)CCBr SBB073020 [0,0,0,0,0,0|3,0,0]=3 11 B5R0.1 CN(C)CCN SBB007533 [0,0,0,0,0,0|3,0,0]=3 12 B5R0.1 COCC(=O)O SBB061376 [0,0,0,0,0,0|3,0,1]=4 13 B5R0.1 CS(=O)CCN SBB050811 [0,0,0,0,0,0|2,0,1]=3 14 B5R0.1 CSCC(=O)O SBB053570 [0,0,0,0,0,0|3,0,1]=4 15 B5R0.1 C\C(Cl)=C\CN SBB301293 [0,0,0,0,0,0|2,0,2]=4 16 B5R0.1 O=C(O)CCBr SBB065770 [0,0,0,0,0,0|2,0,1]=3 17 B5R0.1 O=C(O)CCCl SBB069140 [0,0,0,0,0,0|2,0,1]=3 18 B5R0.1 [NH+](C)(C)CCCl SBB057087 [0,0,0,0,0,0|3,0,0]=3 19 B4R0.1 CC(Br)CBr SBB060202 [1,0,0,0,0,0|2,0,0]=3 20 B4R0.1 CC(Br)CCl SBB061477 [1,0,0,0,0,0|2,0,0]=3 21 B4R0.1 CC(C)CBr SBB059932 [1,0,0,0,0,0|2,0,0]=3 22 B4R0.1 CC(C)NN SBB002129 [1,0,0,0,0,0|3,0,0]=4 23 B4R0.1 CC(Cl)CCl SBB059979 [1,0,0,0,0,0|2,0,0]=3 24 B4R0.1 CCC(C)Br SBB059931 [1,0,0,0,0,0|1,0,0]=2 25 B4R0.1 CCN(C)N SBB107453 [1,0,0,0,0,0|2,0,0]=3 26 B4R0.1 ClC(Br)CBr SBB059976 [1,0,0,0,0,0|3,0,0]=4 27 B4R0.1 NCC(=O)O SBB071447 [1,0,0,0,0,0|2,0,1]=4 28 B4R0.1 NCC(F)F SBB009831 [1,0,0,0,0,0|3,0,0]=4 29 B4R0.1 O=C(O)CBr SBB053569 [1,0,0,0,0,0|2,0,1]=4 30 B4R0.1 OCC(F)F SBB021966 [1,0,0,0,0,0|2,0,0]=3 31 B4R0.2 BrCCCBr SBB060203 [1,0,0,0,0,0|2,0,0]=3 32 B4R0.2 CCCCBr SBB059930 [1,0,0,0,0,0|1,0,0]=2 33 B4R0.2 CNCC#N SBB071612 [1,0,0,0,0,0|2,0,1]=4 34 B4R0.2 CNCCI SBB071605 [1,0,0,0,0,0|2,0,0]=3 35 B4R0.2 COCCBr SBB007906 [1,0,0,0,0,0|2,0,0]=3 36 B4R0.2 C\C=C\CC SBB059879 [1,0,0,0,0,0|1,0,2]=4 37 B4R0.2 ClCCCBr SBB058669 [1,0,0,0,0,0|2,0,0]=3 38 B4R0.2 ClCCCCl SBB040918 [1,0,0,0,0,0|2,0,0]=3 39 B4R0.2 OCCCBr SBB054750 [1,0,0,0,0,0|1,0,0]=2 40 B4R0.2 [NH2+](CC)CC SBB059849 [1,0,0,0,0,0|2,0,0]=3 41 B6R0.1 C#CC(O)CCC SBB067434 [0,1,0,0,0,0|1,0,1]=3 42 B6R0.1 CCC(O)COC SBB072708 [0,1,0,0,0,0|2,0,0]=3 43 B6R0.1 CCCC(=O)CC SBB061496 [0,1,0,0,0,0|1,0,2]=4 44 B6R0.1 CCCC(=O)OC SBB061104 [0,1,0,0,0,0|1,0,2]=4 45 B6R0.1 CCCC(C)CO SBB061282 [0,1,0,0,0,0|1,0,0]=2 46 B6R0.1 CCCC(O)CC SBB061363 [0,1,0,0,0,0|1,0,0]=2 47 B6R0.1 CCC\C(N)=N/O SBB028173 [0,1,0,0,0,0|2,0,1]=4 48 B6R0.1 CCNC(C)CO SBB046531 [0,1,0,0,0,0|2,0,0]=3 49 B6R0.1 CNC(C)CCO SBB046542 [0,1,0,0,0,0|1,0,0]=2 50 B6R0.1 CNCC(C)OC SBB049894 [0,1,0,0,0,0|2,0,0]=3 51 B6R0.1 COC(=O)CCBr SBB070709 [0,1,0,0,0,0|1,0,2]=4 52 B6R0.1 COC(=O)CCN SBB071679 [0,1,0,0,0,0|1,0,2]=4 53 B6R0.1 COCC(O)CN SBB051203 [0,1,0,0,0,0|2,0,0]=3 54 B6R0.1 OC(CBr)CCBr SBB007842 [0,1,0,0,0,0|1,0,0]=2 55 B6R0.1 OCNC(=O)CCl SBB004273 [0,1,0,0,0,0|1,0,2]=4 56 B6R0.2 CC(=O)CC(C)C SBB060384 [0,1,0,0,0,0|1,0,2]=4 57 B6R0.2 CC(C)CB(O)O SBB062832 [0,1,0,0,0,0|2,0,0]=3 58 B6R0.2 CC(C)CC(=O)Cl SBB040623 [0,1,0,0,0,0|1,0,2]=4 59 B6R0.2 CC(C)CC(C)Br SBB007950 [0,1,0,0,0,0|2,0,0]=3 60 B6R0.2 CC(C)CC(C)O SBB061337 [0,1,0,0,0,0|1,0,0]=2 61 B6R0.2 CC(C)CC(N)=O SBB028167 [0,1,0,0,0,0|1,0,2]=4 62 B6R0.2 CC(C)NC(C)C SBB059763 [0,1,0,0,0,0|3,0,0]=4 63 B6R0.2 CC(O)CC(=O)O SBB065815 [0,1,0,0,0,0|0,0,1]=2 64 B6R0.2 CC(O)CN(C)C SBB060002 [0,1,0,0,0,0|2,0,0]=3 65 B6R0.2 CN(C)CC(=O)O SBB065779 [0,1,0,0,0,0|2,0,1]=4 66 B6R0.2 O=C(O)CC(=O)O SBB040552 [0,1,0,0,0,0|1,0,2]=4 67 B6R0.2 [NH+](C)(C)CC(=O)O SBB061663 [0,1,0,0,0,0|2,0,1]=4 68 B6R0.3 C#CC(O)C(C)C SBB009138 [0,1,0,0,0,0|2,0,1]=4 69 B6R0.3 CC(C)\C(N)=N/O SBB028172 [0,1,0,0,0,0|2,0,1]=4 70 B6R0.3 CC(CN)C(=O)O SBB061656 [0,1,0,0,0,0|2,0,1]=4 71 B6R0.3 CC(CN)N(C)C SBB043927 [0,1,0,0,0,0|3,0,0]=4 72 B6R0.3 CC(CO)[N+](=O)[O-] SBB108844 [0,1,0,0,0,0|2,0,1]=4 73 B6R0.3 CCC(Br)C(=O)O SBB040791 [0,1,0,0,0,0|2,0,1]=4 74 B6R0.3 CCC(C)C(C)C SBB061452 [0,1,0,0,0,0|2,0,0]=3 75 B6R0.3 CC[C@H](N)C(=O)O SBB053588 [0,1,0,0,0,0|2,0,1]=4 76 B6R0.3 NC(=O)C(N)CO SBB004161 [0,1,0,0,0,0|1,0,2]=4 77 B6R0.3 NC(CO)C(=O)O SBB061655 [0,1,0,0,0,0|1,0,1]=3 78 B6R0.3 NCC(N)C(=O)O SBB060844 [0,1,0,0,0,0|2,0,1]=4 79 B6R0.3 NC[C@H](O)C(=O)O SBB062829 [0,1,0,0,0,0|2,0,1]=4 80 B6R0.3 O=C(O)C(Br)CBr SBB068302 [0,1,0,0,0,0|2,0,1]=4 81 B6R0.3 O=C(O)C(O)CCl SBB072606 [0,1,0,0,0,0|2,0,1]=4 82 B6R0.3 OC(=O)[C@@H](CN)N SBB005812 [0,1,0,0,0,0|2,0,1]=4 83 B6R0.4 C#CCCC(=O)O SBB009121 [0,1,0,0,0,0|2,0,1]=4 84 B6R0.4 C=CCCC(=O)O SBB061214 [0,1,0,0,0,0|2,0,1]=4 85 B6R0.4 C=CCCC(C)=O SBB009089 [0,1,0,0,0,0|1,0,2]=4 86 B6R0.4 C=COCC(C)C SBB060157 [0,1,0,0,0,0|2,0,1]=4 87 B6R0.4 CC(=O)NCCCl SBB008165 [0,1,0,0,0,0|1,0,2]=4 88 B6R0.4 CC(=O)NCCN SBB028176 [0,1,0,0,0,0|1,0,2]=4 89 B6R0.4 CC(=O)NCCO SBB007954 [0,1,0,0,0,0|0,0,2]=3 90 B6R0.4 CC(=O)OCCCl SBB058505 [0,1,0,0,0,0|1,0,2]=4 91 B6R0.4 CC(C)CN=C=S SBB017613 [0,1,0,0,0,0|1,1,1]=4 92 B6R0.4 CC(C)COC=O SBB061244 [0,1,0,0,0,0|1,0,2]=4 93 B6R0.4 CC(C)NCCN SBB048119 [0,1,0,0,0,0|2,0,0]=3 94 B6R0.4 CC(C)NCCO SBB056428 [0,1,0,0,0,0|1,0,0]=2 95 B6R0.4 CC(C)OCCN SBB301616 [0,1,0,0,0,0|2,0,0]=3 96 B6R0.4 CCC#CC(C)O SBB067141 [0,1,0,0,0,0|1,0,1]=3 97 B6R0.4 CCCCC(=O)O SBB053585 [0,1,0,0,0,0|2,0,1]=4 98 B6R0.4 CCCCC(C)=O SBB061262 [0,1,0,0,0,0|1,0,2]=4 99 B6R0.4 CCCCC(C)O SBB061290 [0,1,0,0,0,0|1,0,0]=2 100 B6R0.4 CCCCN(C)C SBB060243 [0,1,0,0,0,0|3,0,0]=4 101 B6R0.4 CCCOC(C)=O SBB060305 [0,1,0,0,0,0|1,0,2]=4 102 B6R0.4 CCOCC(=O)O SBB069120 [0,1,0,0,0,0|2,0,1]=4 103 B6R0.4 CCOCC(C)O SBB061006 [0,1,0,0,0,0|1,0,0]=2 104 B6R0.4 CCSCC(=O)O SBB047288 [0,1,0,0,0,0|2,0,1]=4 105 B6R0.4 CN(C)CCC#N SBB068380 [0,1,0,0,0,0|3,0,0]=4 106 B6R0.4 CN(C)CCCN SBB028177 [0,1,0,0,0,0|3,0,0]=4 107 B6R0.4 NCCCC(=O)O SBB028179 [0,1,0,0,0,0|2,0,1]=4 108 B6R0.4 O=C(O)CCCBr SBB065986 [0,1,0,0,0,0|2,0,1]=4 109 B6R0.5 CC#CC(C)(C)O SBB009136 [0,1,0,0,0,0|1,0,2]=4 110 B6R0.5 CC(C)(C)CCCl SBB059953 [0,1,0,0,0,0|2,0,0]=3 111 B6R0.5 CC(C)(C)CCN SBB059532 [0,1,0,0,0,0|2,0,0]=3 112 B6R0.5 CCCC(C)(C)N SBB052122 [0,1,0,0,0,0|2,0,0]=3 113 B6R0.5 CCNC(C)(C)C SBB052124 [0,1,0,0,0,0|3,0,0]=4 114 B6R0.5 CS(=O)(=O)CCN SBB047603 [0,1,0,0,0,0|2,0,1]=4 115 B6R0.5 C[N+](C)(C)CCO SBB060960 [0,1,0,0,0,0|2,0,0]=3 116 B6R0.5 FC(F)(F)CCBr SBB008495 [0,1,0,0,0,0|3,0,0]=4 117 B6R0.5 FC(F)(F)CCCl SBB072694 [0,1,0,0,0,0|3,0,0]=4 118 B6R0.5 NCCC(F)(F)Br SBB094383 [0,1,0,0,0,0|3,0,0]=4 119 B6R1.2 BrC1CCCC1 SBB040823 [0,0,0,1,0,0|2,0,0]=3 120 B6R1.2 F[C@H]1CCNC1 SBB085616 [0,0,0,1,0,0|2,0,0]=3 121 B6R1.2 N1CCC(N)C1 SBB027337 [0,0,0,1,0,0|2,0,0]=3 122 B6R1.2 NC1CCCC1 SBB040467 [0,0,0,1,0,0|2,0,0]=3 123 B6R1.2 NC1CCNC1 SBB003982 [0,0,0,1,0,0|2,0,0]=3 124 B6R1.2 NN1CCCC1 SBB066760 [0,0,0,1,0,0|3,0,0]=4 125 B6R1.2 O=C1CCCC1 SBB040835 [0,0,0,1,0,0|1,0,2]=4 126 B6R1.2 O=C1CCSC1 SBB007947 [0,0,0,1,0,0|0,1,2]=4 127 B6R1.2 OC1=NNCC1 SBB047550 [0,0,0,1,0,0|2,0,1]=4 128 B6R1.2 OC1CCNC1 SBB056152 [0,0,0,1,0,0|1,0,0]=2 129 B6R1.2 O[C@H]1CCNC1 SBB004272 [0,0,0,1,0,0|1,0,0]=2 130 B6R1.2 O[C@H]1CCNC1 SBB027336 [0,0,0,1,0,0|1,0,0]=2 131 B6R1.2 O[C@H]1CCOC1 SBB062959 [0,0,0,1,0,0|0,0,0]=1 132 B6R1.9 NC1CC1(F)F SBB085744 [0,0,0,1,0,0|3,0,0]=4 133 B6R1.10 CC1(N)CCC1 SBB072407 [0,0,0,1,0,0|2,0,0]=3 134 B6R1.11 CC(=O)C1CC1 SBB040825 [0,0,0,1,0,0|1,0,2]=4 135 B6R1.11 CC(N)C1CC1 SBB027096 [0,0,0,1,0,0|2,0,0]=3 136 B6R1.11 O=C(O)C1CC1 SBB008028 [0,0,0,1,0,0|2,0,1]=4 137 B3R0.1 BrCCBr SBB040806 [2,0,0,0,0,0|2,0,0]=4 138 B3R0.1 CCCBr SBB040931 [2,0,0,0,0,0|1,0,0]=3 139 B3R0.1 ClCCCl SBB040805 [2,0,0,0,0,0|2,0,0]=4 140 B3R0.1 NCCBr SBB005857 [2,0,0,0,0,0|2,0,0]=4 141 B3R0.1 NCCCl SBB005775 [2,0,0,0,0,0|2,0,0]=4 142 B3R0.1 OCCBr SBB058668 [2,0,0,0,0,0|1,0,0]=3 143 B3R0.1 [NH3+]CCBr SBB060242 [2,0,0,0,0,0|2,0,0]=4 144 B3R0.2 CC(C)Br SBB060452 [2,0,0,0,0,0|1,0,0]=3 145 B5R0.3 C=CC(O)CBr SBB007652 [1,1,0,0,0,0|0,0,2]=4 146 B5R0.3 CCC(C)CBr SBB007669 [1,1,0,0,0,0|1,0,0]=3 147 B5R0.3 CCC(Cl)CCl SBB060453 [1,1,0,0,0,0|1,0,0]=3 148 B5R0.3 CCC(N)CC SBB000050 [1,1,0,0,0,0|1,0,0]=3 149 B5R0.3 CCC(N)CC SBB071911 [1,1,0,0,0,0|1,0,0]=3 150 B5R0.3 CC\C(N)=N\O SBB024198 [1,1,0,0,0,0|1,0,1]=4 151 B5R0.3 ClCC(Cl)CCl SBB060982 [1,1,0,0,0,0|2,0,0]=4 152 B5R0.3 OC(CCl)CCl SBB060190 [1,1,0,0,0,0|1,0,0]=3 153 B5R0.3 OCC(O)CCl SBB060480 [1,1,0,0,0,0|0,0,0]=2 154 B5R0.4 CC(C)(C)NO SBB056490 [1,1,0,0,0,0|2,0,0]=4 155 B5R0.5 CC(=O)C(C)Cl SBB060958 [1,1,0,0,0,0|0,0,2]=4 156 B5R0.5 CC(Br)C(=O)O SBB060286 [1,1,0,0,0,0|1,0,1]=4 157 B5R0.5 CC(Br)C(Cl)Br SBB059977 [1,1,0,0,0,0|2,0,0]=4 158 B5R0.5 CC(Br)C(Cl)Cl SBB060490 [1,1,0,0,0,0|2,0,0]=4 159 B5R0.5 CC(O)C(=O)O SBB065762 [1,1,0,0,0,0|0,0,1]=3 160 B5R0.2 BrCCCCBr SBB060204 [1,1,0,0,0,0|1,0,0]=3 161 B5R0.2 CC#CCCO SBB009118 [1,1,0,0,0,0|0,0,1]=3 162 B5R0.2 CCC#CCO SBB009120 [1,1,0,0,0,0|0,0,1]=3 163 B5R0.2 CCCCCBr SBB059933 [1,1,0,0,0,0|1,0,0]=3 164 B5R0.2 CCCCCCl SBB059951 [1,1,0,0,0,0|1,0,0]=3 165 B5R0.2 CCCN=C=S SBB060984 [1,1,0,0,0,0|0,1,1]=4 166 B5R0.2 CCNNCC SBB069584 [1,1,0,0,0,0|2,0,0]=4 167 B5R0.2 CCOCCBr SBB008332 [1,1,0,0,0,0|1,0,0]=3 168 B5R0.2 CCOCCCl SBB061015 [1,1,0,0,0,0|1,0,0]=3 169 B5R0.2 CCOCCN SBB072161 [1,1,0,0,0,0|1,0,0]=3 170 B5R0.2 CCSCCN SBB017894 [1,1,0,0,0,0|1,0,0]=3 171 B5R0.2 CNCCCN SBB059823 [1,1,0,0,0,0|1,0,0]=3 172 B5R0.2 CSCCCO SBB056451 [1,1,0,0,0,0|0,0,0]=2 173 B5R0.2 FCCCCBr SBB087044 [1,1,0,0,0,0|1,0,0]=3 174 B5R0.2 N#CCCCBr SBB054746 [1,1,0,0,0,0|1,0,1]=4 175 B5R0.2 N#CCCCCl SBB061739 [1,1,0,0,0,0|1,0,1]=4 176 B5R0.2 NCCCCN SBB059998 [1,1,0,0,0,0|1,0,0]=3 177 B5R0.2 OCCCCCl SBB002444 [1,1,0,0,0,0|0,0,0]=2 178 B7R0.2 CC(CO)CN(C)C SBB046544 [0,2,0,0,0,0|2,0,0]=4 179 B7R0.2 CC(O)CC(=O)NN SBB072890 [0,2,0,0,0,0|0,0,2]=4 180 B7R0.2 CCC(C)CC(=O)O SBB008180 [0,2,0,0,0,0|1,0,1]=4 181 B7R0.2 CCC(O)CN(C)C SBB061151 [0,2,0,0,0,0|2,0,0]=4 182 B7R0.2 NC[C@@H](O)CC(=O)O SBB065945 [0,2,0,0,0,0|0,0,1]=3 183 B7R0.3 C=CC(O)CCCC SBB008778 [0,2,0,0,0,0|1,0,1]=4 184 B7R0.3 CC(CN)CCCN SBB058625 [0,2,0,0,0,0|2,0,0]=4 185 B7R0.3 CCCCC(Cl)CCl SBB060394 [0,2,0,0,0,0|2,0,0]=4 186 B7R0.3 CCN(C)CCCO SBB046555 [0,2,0,0,0,0|2,0,0]=4 187 B7R0.3 CCNCC(O)CC SBB072921 [0,2,0,0,0,0|1,0,0]=3 188 B7R0.3 CCOCC(O)CN SBB017905 [0,2,0,0,0,0|1,0,0]=3 189 B7R0.3 OC[C@H](CCSC)N SBB006701 [0,2,0,0,0,0|1,1,0]=4 190 B7R0.5 CC(CCN)N(C)C SBB046536 [0,2,0,0,0,0|2,0,0]=4 191 B7R0.5 CC(CCO)N(C)C SBB046554 [0,2,0,0,0,0|1,0,0]=3 192 B7R0.5 CCCC(Br)C(=O)O SBB065976 [0,2,0,0,0,0|2,0,0]=4 193 B7R0.5 CCCC(C)C(=O)O SBB065915 [0,2,0,0,0,0|1,0,0]=3 194 B7R0.5 CCCC(C)C(C)O SBB061491 [0,2,0,0,0,0|1,0,0]=3 195 B7R0.5 CCC[C@@H](N)C(=O)O SBB065919 [0,2,0,0,0,0|2,0,0]=4 196 B7R0.5 NC(CCO)C(=O)O SBB065734 [0,2,0,0,0,0|1,0,0]=3 197 B7R0.5 NC(CCS)C(=O)O SBB065757 [0,2,0,0,0,0|1,1,0]=4 198 B7R0.5 NCCC(N)C(=O)O SBB053580 [0,2,0,0,0,0|2,0,0]=4 199 B7R0.5 NCCC(N)C(=O)O SBB066000 [0,2,0,0,0,0|2,0,0]=4 200 B7R0.5 NCCC(O)C(=O)O SBB066010 [0,2,0,0,0,0|1,0,1]=4 201 B7R0.5 NCC[C@H](N)C(=O)O SBB003640 [0,2,0,0,0,0|2,0,0]=4 202 B7R0.7 CCCC(N)CCC SBB018801 [0,2,0,0,0,0|2,0,0]=4 203 B7R0.7 CCCC(O)CCC SBB061327 [0,2,0,0,0,0|1,0,0]=3 204 B7R0.7 CCNC(C)CCO SBB046562 [0,2,0,0,0,0|1,0,0]=3 205 B7R0.7 CCOC(C)OCC SBB058503 [0,2,0,0,0,0|2,0,0]=4 206 B7R0.10 COC(=O)C(N)CO SBB004026 [0,2,0,0,0,0|0,0,2]=4 207 B7R0.10 ClCC(Cl)C(Cl)CCl SBB060986 [0,2,0,0,0,0|2,0,0]=4 208 B7R0.10 OCC(Br)C(Br)CO SBB070873 [0,2,0,0,0,0|1,0,0]=3 209 B7R0.10 OC[C@H]([C@@H](C)CC)N SBB027248 [0,2,0,0,0,0|1,0,0]=3 210 B7R0.11 C#CC(C)(O)CCC SBB002538 [0,2,0,0,0,0|1,0,0]=3 211 B7R0.11 CCS(=O)(=O)CCO SBB008148 [0,2,0,0,0,0|1,0,1]=4 212 B7R0.12 CCCC(CO)CO SBB059211 [0,2,0,0,0,0|1,0,0]=3 213 B7R0.12 CCN(CC)CCO SBB058521 [0,2,0,0,0,0|2,0,0]=4 214 B7R0.9 CC(=O)CC(C)(C)O SBB009084 [0,2,0,0,0,0|0,0,2]=4 215 B7R0.9 CC(C)(C)CC(=O)O SBB061347 [0,2,0,0,0,0|1,0,1]=4 216 B7R0.9 CC(C)(O)CC(=O)O SBB053604 [0,2,0,0,0,0|0,0,1]=3 217 B7R0.9 CC(O)CC(C)(C)N SBB084391 [0,2,0,0,0,0|1,0,0]=3 218 B7R0.9 CC(O)CC(C)(C)O SBB061336 [0,2,0,0,0,0|0,0,0]=2 219 B7R0.16 CC(C)[C@@H](N)C(=O)O SBB006709 [0,2,0,0,0,0|1,0,1]=4 220 B7R0.16 CC(C)[C@@H](O)C(=O)O SBB053572 [0,2,0,0,0,0|1,0,1]=4 221 B7R0.16 CC(C)[C@H](Br)C(=O)O SBB065818 [0,2,0,0,0,0|1,0,1]=4 222 B7R0.16 CC(O)C(N)C(=O)O SBB061654 [0,2,0,0,0,0|0,0,1]=3 223 B7R0.13 CC(C)(CO)C(=O)O SBB053589 [0,2,0,0,0,0|1,0,1]=4 224 B7R0.14 CCC(O)C(C)(C)C SBB008540 [0,2,0,0,0,0|2,0,0]=4 225 B7R0.14 C\C(=N/O)C(C)(C)O SBB058302 [0,2,0,0,0,0|1,0,1]=4 226 B7R0.4 CC(C)CCCCBr SBB008833 [0,2,0,0,0,0|2,0,0]=4 227 B7R0.4 CC(C)OCCC#N SBB080430 [0,2,0,0,0,0|2,0,0]=4 228 B7R0.4 CC(C)OCCCN SBB061717 [0,2,0,0,0,0|2,0,0]=4 229 B7R0.4 CC(Cl)COCCCl SBB056511 [0,2,0,0,0,0|2,0,0]=4 230 B7R0.4 CCCOCC(C)O SBB061007 [0,2,0,0,0,0|1,0,0]=3 231 B7R0.4 CCOCCC(=O)O SBB053607 [0,2,0,0,0,0|1,0,1]=4 232 B7R0.4 COCCNC(C)C SBB302570 [0,2,0,0,0,0|1,0,0]=3 233 B7R0.4 COCCOC(C)=O SBB060999 [0,2,0,0,0,0|0,0,2]=4 234 B7R0.6 CC(=O)CCC(=O)O SBB040561 [0,2,0,0,0,0|0,0,2]=4 235 B7R0.6 CC(C)CCC(=O)O SBB065829 [0,2,0,0,0,0|1,0,0]=3 236 B7R0.6 CC(C)CCC(C)N SBB008544 [0,2,0,0,0,0|2,0,0]=4 237 B7R0.6 CC(C)CCC(C)O SBB061318 [0,2,0,0,0,0|1,0,0]=3 238 B7R0.6 CC(C)CNC(C)C SBB046539 [0,2,0,0,0,0|2,0,0]=4 239 B7R0.6 CC(O)C#CC(C)O SBB067653 [0,2,0,0,0,0|0,0,1]=3 240 B7R0.6 CC(O)COC(C)C SBB061008 [0,2,0,0,0,0|1,0,0]=3 241 B7R0.6 O=C(O)CCC(=O)O SBB040562 [0,2,0,0,0,0|1,0,1]=4 242 B7R0.8 CC(C)(C)OCCO SBB060172 [0,2,0,0,0,0|1,0,0]=3 243 B7R0.8 CCNCC(C)(C)C SBB080378 [0,2,0,0,0,0|2,0,0]=4 244 B7R0.8 CNCCC(C)(C)C SBB080385 [0,2,0,0,0,0|2,0,0]=4 245 B5R1.2 OC1CNC1 SBB056270 [1,0,0,1,0,0|1,0,0]=3 246 B5R1.3 BrCC1CC1 SBB054967 [1,0,0,1,0,0|2,0,0]=4 247 B5R1.3 NCC1CC1 SBB047771 [1,0,0,1,0,0|2,0,0]=4 248 B5R1.3 OCC1CC1 SBB059473 [1,0,0,1,0,0|1,0,0]=3 249 B5R1.1 C1CSCN1 SBB111928 [1,0,0,1,0,0|1,1,0]=4 250 B7R1.1 BrCC1CCCC1 SBB054968 [0,1,0,1,0,0|2,0,0]=4 251 B7R1.1 BrCC1CCCO1 SBB003909 [0,1,0,1,0,0|1,0,0]=3 252 B7R1.1 BrCC1OCCO1 SBB070708 [0,1,0,1,0,0|2,0,0]=4 253 B7R1.1 ClCC1CCCN1 SBB018633 [0,1,0,1,0,0|2,0,0]=4 254 B7R1.1 ClCC1CCCO1 SBB008957 [0,1,0,1,0,0|1,0,0]=3 255 B7R1.1 N#CC1CCCC1 SBB008886 [0,1,0,1,0,0|2,0,0]=4 256 B7R1.1 NCC1CCCO1 SBB028168 [0,1,0,1,0,0|1,0,0]=3 257 B7R1.1 NNC1CCCC1 SBB301621 [0,1,0,1,0,0|2,0,0]=4 258 B7R1.1 O=CC1CCCC1 SBB069481 [0,1,0,1,0,0|1,0,1]=4 259 B7R1.1 O=CC1CCOC1 SBB052278 [0,1,0,1,0,0|0,0,1]=3 260 B7R1.1 OCC1CCCC1 SBB008516 [0,1,0,1,0,0|1,0,0]=3 261 B7R1.1 OCC1CCCO1 SBB058567 [0,1,0,1,0,0|1,0,0]=3 262 B7R1.1 OCC1CCNC1 SBB046413 [0,1,0,1,0,0|1,0,0]=3 263 B7R1.1 OCC1OCCO1 SBB059646 [0,1,0,1,0,0|2,0,0]=4 264 B7R1.1 OC[C@H]1CCCN1 SBB027252 [0,1,0,1,0,0|2,0,0]=4 265 B7R1.1 ON=C1CCCC1 SBB060393 [0,1,0,1,0,0|1,0,1]=4 266 B7R1.2 O=C1C[C@H](O)CO1 SBB055783 [0,1,0,1,0,0|0,0,1]=3 267 B7R1.3 BrC1CCCCC1 SBB059944 [0,1,0,1,0,0|2,0,0]=4 268 B7R1.3 BrC1CCNCC1 SBB054613 [0,1,0,1,0,0|2,0,0]=4 269 B7R1.3 CC1CC=CCC1 SBB060473 [0,1,0,1,0,0|2,0,0]=4 270 B7R1.3 CC1CCCCC1 SBB061163 [0,1,0,1,0,0|2,0,0]=4 271 B7R1.3 CC1SCCCS1 SBB056211 [0,1,0,1,0,0|1,1,0]=4 272 B7R1.3 CN1CCOCC1 SBB061013 [0,1,0,1,0,0|2,0,0]=4 273 B7R1.3 ClC1CCOCC1 SBB070678 [0,1,0,1,0,0|1,0,0]=3 274 B7R1.3 FC1CCCNC1 SBB070684 [0,1,0,1,0,0|2,0,0]=4 275 B7R1.3 FC1CCNCC1 SBB070685 [0,1,0,1,0,0|2,0,0]=4 276 B7R1.3 N1CCC(C)CC1 SBB027302 [0,1,0,1,0,0|2,0,0]=4 277 B7R1.3 N1CCCC(C)C1 SBB027301 [0,1,0,1,0,0|2,0,0]=4 278 B7R1.3 N1CCCC(O)C1 SBB004193 [0,1,0,1,0,0|1,0,0]=3 279 B7R1.3 N1CCCCC1C SBB027300 [0,1,0,1,0,0|2,0,0]=4 280 B7R1.3 N1CCNC(C)C1 SBB027299 [0,1,0,1,0,0|2,0,0]=4 281 B7R1.3 NC1CCCCC1 SBB040492 [0,1,0,1,0,0|2,0,0]=4 282 B7R1.3 NC1CCCNC1 SBB052004 [0,1,0,1,0,0|2,0,0]=4 283 B7R1.3 NC1CCCOC1 SBB012974 [0,1,0,1,0,0|1,0,0]=3 284 B7R1.3 NC1CCNCC1 SBB028166 [0,1,0,1,0,0|2,0,0]=4 285 B7R1.3 NC1CCOCC1 SBB014873 [0,1,0,1,0,0|1,0,0]=3 286 B7R1.3 NC1CCOCC1 SBB069906 [0,1,0,1,0,0|1,0,0]=3 287 B7R1.3 NN1CCOCC1 SBB004363 [0,1,0,1,0,0|2,0,0]=4 288 B7R1.3 N[C@@H]1CCCNC1 SBB069744 [0,1,0,1,0,0|2,0,0]=4 289 B7R1.3 N[C@H]1CCCNC1 SBB017596 [0,1,0,1,0,0|2,0,0]=4 290 B7R1.3 O=C1CCOCC1 SBB049627 [0,1,0,1,0,0|0,0,2]=4 291 B7R1.3 OC1CCCCC1 SBB060483 [0,1,0,1,0,0|1,0,0]=3 292 B7R1.3 OC1CCCCO1 SBB055947 [0,1,0,1,0,0|1,0,0]=3 293 B7R1.3 OC1CCCNC1 SBB027351 [0,1,0,1,0,0|1,0,0]=3 294 B7R1.3 OC1CCNCC1 SBB027346 [0,1,0,1,0,0|1,0,0]=3 295 B7R1.3 OC1CCOCC1 SBB055945 [0,1,0,1,0,0|0,0,0]=2 296 B7R1.4 BrC1CCCC1Br SBB060684 [0,1,0,1,0,0|2,0,0]=4 297 B7R1.4 ClC1CCCC1Cl SBB060212 [0,1,0,1,0,0|2,0,0]=4 298 B7R1.4 NC1CCOC1=O SBB004366 [0,1,0,1,0,0|1,0,1]=4 299 B7R1.4 NC1CCOC1=O SBB057192 [0,1,0,1,0,0|1,0,1]=4 300 B7R1.4 N[C@@H]1CSC[C@H]1O SBB014689 [0,1,0,1,0,0|0,1,0]=3 301 B7R1.4 O=C1OCCC1Br SBB083094 [0,1,0,1,0,0|1,0,1]=4 302 B7R1.4 OC1CCCC1Cl SBB060196 [0,1,0,1,0,0|1,0,0]=3 303 B7R1.4 O[C@H]1CCC[C@H]1O SBB008502 [0,1,0,1,0,0|1,0,0]=3 304 B7R1.10 O=C1CC(CO)C1 SBB054867 [0,1,0,1,0,0|0,0,2]=4 305 B7R1.25 CC1(CO)COC1 SBB006512 [0,1,0,1,0,0|2,0,0]=4 306 B7R1.25 CC1(CO)COC1 SBB009078 [0,1,0,1,0,0|2,0,0]=4 307 B7R1.12 C[C@H]1C[C@H]1C(=O)O SBB069055 [0,1,0,1,0,0|1,0,1]=4 308 B7R1.20 O=C(O)CC1CC1 SBB005442 [0,1,0,1,0,0|1,0,1]=4 309 B7R1.7 CCCCC1CO1 SBB017137 [0,1,0,1,0,0|1,0,0]=3 310 B7R1.14 CC1(C)COCN1 SBB059841 [0,1,0,1,0,0|2,0,0]=4 311 B7R1.14 FC1(F)CCNC1 SBB086302 [0,1,0,1,0,0|2,0,0]=4 312 B7R1.26 CC(C)(O)C1CC1 SBB059210 [0,1,0,1,0,0|1,0,0]=3