0 B6R0.2 C=C(C)OC(C)=O SBB056824 [0,0,0,0,0,0|3,0,1]=4 1 B6R0.2 CC(=O)C=C(C)C SBB040870 [0,0,0,0,0,0|2,0,1]=3 2 B6R0.2 CC(=O)CC(C)=O SBB009914 [0,0,0,0,0,0|3,0,0]=3 3 B6R0.2 CC(=O)CC(C)C SBB060384 [0,0,0,0,0,0|2,0,0]=2 4 B6R0.2 CC(=O)CC(N)=O SBB061675 [0,0,0,0,0,0|2,0,0]=2 5 B6R0.2 CC(=O)\C=C(\C)N SBB007945 [0,0,0,0,0,0|3,0,1]=4 6 B6R0.2 CC(=O)\C=C(\C)[O-] SBB080715 [0,0,0,0,0,0|3,0,1]=4 7 B6R0.2 CC(C)=CC(=O)O SBB065769 [0,0,0,0,0,0|2,0,1]=3 8 B6R0.2 CC(C)CB(O)O SBB062832 [0,0,0,0,0,0|3,0,1]=4 9 B6R0.2 CC(C)CC(=O)Cl SBB040623 [0,0,0,0,0,0|2,0,0]=2 10 B6R0.2 CC(C)CC(C)Br SBB007950 [0,0,0,0,0,0|3,0,1]=4 11 B6R0.2 CC(C)CC(C)O SBB061337 [0,0,0,0,0,0|2,0,2]=4 12 B6R0.2 CC(C)CC(N)=O SBB028167 [0,0,0,0,0,0|1,0,0]=1 13 B6R0.2 CC(O)CC(=O)O SBB065815 [0,0,0,0,0,0|3,0,0]=3 14 B6R0.2 CC(O)CN(C)C SBB060002 [0,0,0,0,0,0|1,0,2]=3 15 B6R0.2 CN(C)CC(=O)O SBB065779 [0,0,0,0,0,0|1,0,0]=1 16 B6R0.2 NC(=O)CC(=O)O SBB049982 [0,0,0,0,0,0|3,0,0]=3 17 B6R0.2 NC(=O)CC(N)=O SBB044920 [0,0,0,0,0,0|3,0,0]=3 18 B6R0.2 NC(=O)C[N+](=O)[O-] SBB000037 [0,0,0,0,0,0|2,0,1]=3 19 B6R0.2 O=C(Cl)CC(=O)Cl SBB060017 [0,0,0,0,0,0|4,0,0]=4 20 B6R0.2 O=C(O)CC(=O)O SBB040552 [0,0,0,0,0,0|4,0,0]=4 21 B6R0.2 [NH+](C)(C)CC(=O)O SBB061663 [0,0,0,0,0,0|1,0,1]=2 22 B5R0.1 C#CCC(=O)O SBB116169 [1,0,0,0,0,0|2,0,1]=4 23 B5R0.1 CC(=O)CC#N SBB014113 [1,0,0,0,0,0|3,0,0]=4 24 B5R0.1 CC(C)CCBr SBB061181 [1,0,0,0,0,0|2,0,1]=4 25 B5R0.1 CC(C)CCO SBB060162 [1,0,0,0,0,0|1,0,2]=4 26 B5R0.1 CC(C)CNN SBB042741 [1,0,0,0,0,0|2,0,0]=3 27 B5R0.1 CC(C)N=C=O SBB046976 [1,0,0,0,0,0|2,0,1]=4 28 B5R0.1 CCCC(=O)Cl SBB040624 [1,0,0,0,0,0|2,0,0]=3 29 B5R0.1 CCOC(=O)Cl SBB040861 [1,0,0,0,0,0|3,0,0]=4 30 B5R0.1 CN(C)CCBr SBB073020 [1,0,0,0,0,0|1,0,1]=3 31 B5R0.1 CN(C)CCN SBB007533 [1,0,0,0,0,0|0,0,1]=2 32 B5R0.1 COCC(=O)O SBB061376 [1,0,0,0,0,0|2,0,0]=3 33 B5R0.1 CS(=O)CCN SBB050811 [1,0,0,0,0,0|2,0,1]=4 34 B5R0.1 CSCC(=O)O SBB053570 [1,0,0,0,0,0|2,0,0]=3 35 B5R0.1 N#CCC(N)=O SBB007540 [1,0,0,0,0,0|2,0,0]=3 36 B5R0.1 N#CCC(N)=S SBB015115 [1,0,0,0,0,0|2,1,0]=4 37 B5R0.1 O=C(O)CCBr SBB065770 [1,0,0,0,0,0|3,0,0]=4 38 B5R0.1 O=C(O)CCCl SBB069140 [1,0,0,0,0,0|3,0,0]=4 39 B5R0.1 [NH+](C)(C)CCCl SBB057087 [1,0,0,0,0,0|1,0,2]=4 40 B7R0.2 CC(C)CC(=O)NN SBB021012 [0,1,0,0,0,0|1,0,0]=2 41 B7R0.2 CC(C)NC(=O)CBr SBB051007 [0,1,0,0,0,0|3,0,0]=4 42 B7R0.2 CC(C)NC(=O)CCl SBB016573 [0,1,0,0,0,0|3,0,0]=4 43 B7R0.2 CC(C)NC(=O)CN SBB085357 [0,1,0,0,0,0|2,0,0]=3 44 B7R0.2 CC(C)NC(=S)NN SBB017632 [0,1,0,0,0,0|2,1,0]=4 45 B7R0.2 CC(C)OC(=O)CCl SBB040600 [0,1,0,0,0,0|3,0,0]=4 46 B7R0.2 CC(C)OC(=O)CS SBB061230 [0,1,0,0,0,0|3,0,0]=4 47 B7R0.2 CC(CO)CN(C)C SBB046544 [0,1,0,0,0,0|1,0,2]=4 48 B7R0.2 CC(O)CC(=O)NN SBB072890 [0,1,0,0,0,0|2,0,0]=3 49 B7R0.2 CCC(=O)OC(C)C SBB061101 [0,1,0,0,0,0|3,0,0]=4 50 B7R0.2 CCC(C)CC(=O)O SBB008180 [0,1,0,0,0,0|2,0,0]=3 51 B7R0.2 CCC(C)NC(N)=O SBB008605 [0,1,0,0,0,0|2,0,0]=3 52 B7R0.2 CCC(O)CN(C)C SBB061151 [0,1,0,0,0,0|1,0,2]=4 53 B7R0.2 COC(=O)CC(C)=O SBB060889 [0,1,0,0,0,0|3,0,0]=4 54 B7R0.2 NC[C@@H](O)CC(=O)O SBB065945 [0,1,0,0,0,0|3,0,0]=4 55 B7R0.9 CC(=O)CC(C)(C)O SBB009084 [0,1,0,0,0,0|2,0,0]=3 56 B7R0.9 CC(=O)NC(C)(C)C SBB008192 [0,1,0,0,0,0|3,0,0]=4 57 B7R0.9 CC(C)(C)CC(=O)Cl SBB058618 [0,1,0,0,0,0|2,0,0]=3 58 B7R0.9 CC(C)(C)CC(=O)O SBB061347 [0,1,0,0,0,0|2,0,0]=3 59 B7R0.9 CC(C)(C)NC(N)=O SBB008606 [0,1,0,0,0,0|2,0,0]=3 60 B7R0.9 CC(C)(O)CC(=O)O SBB053604 [0,1,0,0,0,0|2,0,0]=3 61 B7R0.9 C[N+](C)(C)CC(=O)[O-] SBB060872 [0,1,0,0,0,0|1,0,1]=3 62 B7R0.16 CC(=O)C(Cl)C(C)=O SBB058797 [0,1,0,0,0,0|3,0,0]=4 63 B7R0.16 CC(C(=O)O)N(C)C SBB046579 [0,1,0,0,0,0|1,0,0]=2 64 B7R0.16 CC(C)C(N)C(N)=O SBB017492 [0,1,0,0,0,0|1,0,0]=2 65 B7R0.16 CC(C)[C@@H](N)C(=O)O SBB006709 [0,1,0,0,0,0|2,0,0]=3 66 B7R0.16 CC(C)[C@@H](O)C(=O)O SBB053572 [0,1,0,0,0,0|2,0,0]=3 67 B7R0.16 CC(C)[C@H](Br)C(=O)O SBB065818 [0,1,0,0,0,0|2,0,0]=3 68 B7R0.16 CC(C)[C@H](N)C(N)=O SBB056426 [0,1,0,0,0,0|1,0,0]=2 69 B7R0.16 CC(O)C(N)C(=O)O SBB061654 [0,1,0,0,0,0|3,0,0]=4 70 B7R1.2 CC1=CC(=O)NO1 SBB055813 [0,0,0,1,0,0|2,0,1]=4 71 B7R1.2 CC1CNC(=S)N1 SBB055856 [0,0,0,1,0,0|2,1,0]=4 72 B7R1.2 CN1C=C(N)C=N1 SBB009607 [0,0,0,1,0,0|2,0,1]=4 73 B7R1.2 CN1C=CC(N)=N1 SBB019460 [0,0,0,1,0,0|2,0,1]=4 74 B7R1.2 CN1C=NC(N)=N1 SBB073304 [0,0,0,1,0,0|2,0,1]=4 75 B7R1.2 CN1N=NC(N)=N1 SBB001742 [0,0,0,1,0,0|3,0,0]=4 76 B7R1.2 N1N=C(C)CC1=O SBB004372 [0,0,0,1,0,0|2,0,0]=3 77 B7R1.2 O=C1COC(=O)C1 SBB008561 [0,0,0,1,0,0|3,0,0]=4 78 B7R1.2 O=C1C[C@H](O)CO1 SBB055783 [0,0,0,1,0,0|3,0,0]=4 79 B7R1.2 O=C1NCC(=S)N1 SBB076199 [0,0,0,1,0,0|3,0,0]=4 80 B7R1.12 C[C@H]1C[C@H]1C(=O)O SBB069055 [0,0,0,1,0,0|2,0,0]=3 81 B7R1.20 N=C(N)NC1CC1 SBB018674 [0,0,0,1,0,0|3,0,0]=4 82 B7R1.20 O=C(O)CC1CC1 SBB005442 [0,0,0,1,0,0|2,0,0]=3 83 B5R0.5 CC(=O)C(C)Cl SBB060958 [0,0,0,0,1,0|3,0,0]=4 84 B5R0.5 CC(=S)N(C)C SBB007924 [0,0,0,0,1,0|1,1,0]=3 85 B5R0.5 CC(Br)C(=O)O SBB060286 [0,0,0,0,1,0|3,0,0]=4 86 B5R0.5 CC(C)C(=N)N SBB056456 [0,0,0,0,1,0|2,0,0]=3 87 B5R0.5 CC(C)C(=O)Cl SBB060269 [0,0,0,0,1,0|2,0,0]=3 88 B5R0.5 CC(O)C(=O)O SBB065762 [0,0,0,0,1,0|3,0,0]=4 89 B5R0.5 CN(C)C(=O)Cl SBB040876 [0,0,0,0,1,0|1,0,0]=2 90 B5R0.5 CN(C)C(=O)[O-] SBB059132 [0,0,0,0,1,0|1,0,0]=2 91 B5R0.5 CN(C)C(=S)Cl SBB085540 [0,0,0,0,1,0|1,1,0]=3 92 B5R0.5 CN(N)C(N)=S SBB066591 [0,0,0,0,1,0|1,1,0]=3 93 B5R0.5 [NH2+]=C(N)N(C)C SBB059825 [0,0,0,0,1,0|1,0,0]=2 94 B7R0.6 CC(=O)CCC(=O)O SBB040561 [0,0,0,0,0,1|3,0,0]=4 95 B7R0.6 CC(=O)CCC(C)=O SBB040811 [0,0,0,0,0,1|3,0,0]=4 96 B7R0.6 CC(=O)NCC(=O)O SBB036034 [0,0,0,0,0,1|3,0,0]=4 97 B7R0.6 CC(C)=NNC(N)=O SBB111787 [0,0,0,0,0,1|2,0,0]=3 98 B7R0.6 CC(C)=NNC(N)=S SBB066571 [0,0,0,0,0,1|2,1,0]=4 99 B7R0.6 CC(C)CCC(=O)O SBB065829 [0,0,0,0,0,1|2,0,0]=3 100 B7R0.6 CC(C)CCC(C)N SBB008544 [0,0,0,0,0,1|2,0,1]=4 101 B7R0.6 CC(C)CNC(N)=O SBB008242 [0,0,0,0,0,1|1,0,0]=2 102 B7R0.6 CC(C)\C=C\C(=O)O SBB061966 [0,0,0,0,0,1|2,0,1]=4 103 B7R0.6 CN(C)CCN(C)C SBB060239 [0,0,0,0,0,1|3,0,0]=4 104 B4R0.1 CC(C)CBr SBB059932 [2,0,0,0,0,0|2,0,0]=4 105 B4R0.1 CC(C)NN SBB002129 [2,0,0,0,0,0|2,0,0]=4 106 B4R0.1 CCN(C)N SBB107453 [2,0,0,0,0,0|1,0,1]=4 107 B4R0.1 COC(=N)N SBB067236 [2,0,0,0,0,0|2,0,0]=4 108 B4R0.1 CSC(=N)N SBB080624 [2,0,0,0,0,0|2,0,0]=4 109 B4R0.1 CSC(=N)N SBB095512 [2,0,0,0,0,0|2,0,0]=4 110 B4R0.1 N=C(N)CCl SBB056491 [2,0,0,0,0,0|2,0,0]=4 111 B4R0.1 NCC(=O)O SBB071447 [2,0,0,0,0,0|1,0,0]=3 112 B4R0.1 NCC(=O)[O-] SBB116671 [2,0,0,0,0,0|1,0,0]=3 113 B4R0.1 NNC(N)=S SBB040860 [2,0,0,0,0,0|1,1,0]=4 114 B4R0.1 O=C(Br)CBr SBB040828 [2,0,0,0,0,0|2,0,0]=4 115 B4R0.1 O=C(Cl)CBr SBB051682 [2,0,0,0,0,0|2,0,0]=4 116 B4R0.1 O=C(Cl)CCl SBB040859 [2,0,0,0,0,0|2,0,0]=4 117 B4R0.1 O=C(O)CBr SBB053569 [2,0,0,0,0,0|2,0,0]=4 118 B4R0.1 [NH2+]=C(N)SC SBB060409 [2,0,0,0,0,0|2,0,0]=4 119 B4R0.1 [NH3+]NC(=N)N SBB059784 [2,0,0,0,0,0|2,0,0]=4 120 B4R0.1 [NH3+]NC(N)=O SBB060865 [2,0,0,0,0,0|1,0,0]=3 121 B4R0.2 CNCC#N SBB071612 [2,0,0,0,0,0|0,0,2]=4 122 B4R0.2 CNCCI SBB071605 [2,0,0,0,0,0|1,0,1]=4 123 B6R0.1 CCCC(=O)CC SBB061496 [1,1,0,0,0,0|2,0,0]=4 124 B6R0.1 CCCC(=O)NN SBB028175 [1,1,0,0,0,0|1,0,0]=3 125 B6R0.1 CCCC(=O)OC SBB061104 [1,1,0,0,0,0|2,0,0]=4 126 B6R0.1 CCC\C(N)=N/O SBB028173 [1,1,0,0,0,0|1,0,1]=4 127 B6R0.1 CCOC(=O)NN SBB028182 [1,1,0,0,0,0|2,0,0]=4 128 B6R0.1 COCC(=O)NN SBB021113 [1,1,0,0,0,0|1,0,0]=3 129 B6R0.1 N#CCC(=O)NN SBB028164 [1,1,0,0,0,0|2,0,0]=4 130 B6R0.3 C=CC(=O)N(C)C SBB008330 [1,1,0,0,0,0|1,0,1]=4 131 B6R0.3 CC(CN)N(C)C SBB043927 [1,1,0,0,0,0|0,0,1]=3 132 B6R0.3 CCC(Br)C(=O)O SBB040791 [1,1,0,0,0,0|2,0,0]=4 133 B6R0.3 CCC(N)C(N)=O SBB017505 [1,1,0,0,0,0|1,0,0]=3 134 B6R0.3 CC[C@H](N)C(=O)O SBB053588 [1,1,0,0,0,0|2,0,0]=4 135 B6R0.3 CN(C)C(=S)NN SBB028202 [1,1,0,0,0,0|1,0,1]=4 136 B6R0.3 CN[C@@H](C)C(=O)O SBB069105 [1,1,0,0,0,0|1,0,0]=3 137 B6R0.3 CN[C@@H](C)C(=O)O SBB069106 [1,1,0,0,0,0|1,0,0]=3 138 B6R0.3 N#CC(N)C(N)=O SBB001501 [1,1,0,0,0,0|2,0,0]=4 139 B6R0.3 NC(=O)C(N)CO SBB004161 [1,1,0,0,0,0|2,0,0]=4 140 B6R0.3 NNC(=O)C(N)=O SBB111635 [1,1,0,0,0,0|1,0,1]=4 141 B6R0.4 C=COCC(C)C SBB060157 [1,1,0,0,0,0|2,0,0]=4 142 B6R0.4 CC(C)COC=O SBB061244 [1,1,0,0,0,0|1,0,0]=3 143 B6R0.4 CC(C)NCCN SBB048119 [1,1,0,0,0,0|1,0,1]=4 144 B6R0.4 CC(C)OCCN SBB301616 [1,1,0,0,0,0|1,0,1]=4 145 B6R0.4 CCCCC(=O)O SBB053585 [1,1,0,0,0,0|2,0,0]=4 146 B6R0.4 CCCCC(C)=O SBB061262 [1,1,0,0,0,0|2,0,0]=4 147 B6R0.4 CCCCC(N)=O SBB028169 [1,1,0,0,0,0|1,0,0]=3 148 B6R0.4 CCCCN(C)C SBB060243 [1,1,0,0,0,0|1,0,1]=4 149 B6R0.4 CCCNC(N)=O SBB028174 [1,1,0,0,0,0|1,0,0]=3 150 B6R0.4 CCCOC(C)=O SBB060305 [1,1,0,0,0,0|2,0,0]=4 151 B6R0.4 CCCOC(N)=O SBB000036 [1,1,0,0,0,0|1,0,0]=3 152 B6R0.4 CCOCC(=O)O SBB069120 [1,1,0,0,0,0|2,0,0]=4 153 B6R0.4 CCSCC(=O)O SBB047288 [1,1,0,0,0,0|2,0,0]=4 154 B6R0.4 CN(C)CCC#N SBB068380 [1,1,0,0,0,0|0,0,2]=4 155 B6R0.4 CN(C)CCCN SBB028177 [1,1,0,0,0,0|0,0,1]=3 156 B6R0.4 CNCCC(N)=O SBB080375 [1,1,0,0,0,0|0,0,0]=2 157 B6R0.4 NCCCC(=O)O SBB028179 [1,1,0,0,0,0|2,0,0]=4 158 B6R0.4 O=C(Cl)CCCCl SBB060894 [1,1,0,0,0,0|2,0,0]=4 159 B6R0.4 O=C(O)CCCBr SBB065986 [1,1,0,0,0,0|2,0,0]=4 160 B6R0.5 CC(C)(C)CCN SBB059532 [1,1,0,0,0,0|1,0,1]=4 161 B6R0.7 CC(=O)C(C)(C)C SBB060385 [0,1,0,0,1,0|2,0,0]=4 162 B6R0.7 CC(=O)C(C)(C)Cl SBB008903 [0,1,0,0,1,0|2,0,0]=4 163 B6R0.7 CC(=O)C(C)(C)N SBB013635 [0,1,0,0,1,0|2,0,0]=4 164 B6R0.7 CC(C)(Br)C(=O)O SBB065985 [0,1,0,0,1,0|2,0,0]=4 165 B6R0.7 CC(C)(C)C(=N)N SBB072322 [0,1,0,0,1,0|2,0,0]=4 166 B6R0.7 CC(C)(C)C(=O)Cl SBB060922 [0,1,0,0,1,0|2,0,0]=4 167 B6R0.7 CC(C)(C)C(N)=O SBB028170 [0,1,0,0,1,0|1,0,0]=3 168 B6R0.7 CC(C)(C)[S@](N)=O SBB056498 [0,1,0,0,1,0|2,0,0]=4 169 B6R0.7 CC(C)(N)C(=O)O SBB028178 [0,1,0,0,1,0|2,0,0]=4 170 B6R0.7 CC(C)(O)C(=O)O SBB065771 [0,1,0,0,1,0|2,0,0]=4 171 B6R0.7 CN(C)S(C)(=O)=O SBB007962 [0,1,0,0,1,0|2,0,0]=4 172 B8R0.9 CC(C)COC(=O)CCl SBB060938 [0,1,0,0,0,1|2,0,0]=4 173 B8R0.9 CC(C)COC(=O)CS SBB061005 [0,1,0,0,0,1|2,0,0]=4 174 B8R0.9 CC(C)OCC(=O)NN SBB080051 [0,1,0,0,0,1|1,0,0]=3 175 B8R0.9 CCC(=O)OCC(C)C SBB060974 [0,1,0,0,0,1|2,0,0]=4 176 B8R0.23 CC(=O)CC(=O)N(C)C SBB007704 [0,1,0,0,0,1|1,0,0]=3 177 B8R0.23 CC(C)CC(N)C(N)=O SBB000156 [0,1,0,0,0,1|1,0,0]=3 178 B8R0.23 CC(C)CC(N)C(N)=O SBB072626 [0,1,0,0,0,1|1,0,0]=3 179 B8R0.23 CC(C)C[C@@H](N)C(=O)O SBB006736 [0,1,0,0,0,1|2,0,0]=4 180 B8R0.23 CC(C)C[C@H](O)C(=O)O SBB065948 [0,1,0,0,0,1|2,0,0]=4 181 B8R0.23 CC(C)OC(C)C(=O)[O-] SBB080489 [0,1,0,0,0,1|2,0,0]=4 182 B8R0.23 [NH2+]=C(N)NC(=N)N(C)C SBB056982 [0,1,0,0,0,1|1,0,1]=4 183 B8R0.29 CC(C)(N)CCC(=O)O SBB019066 [0,1,0,0,0,1|2,0,0]=4 184 B8R0.2 CCC(C)C(Br)C(=O)O SBB069132 [0,2,0,0,0,0|2,0,0]=4 185 B8R0.2 CNC(=O)C(Cl)C(C)=O SBB042489 [0,2,0,0,0,0|2,0,0]=4 186 B8R0.2 COC(=O)C(N)C(C)C SBB003876 [0,2,0,0,0,0|2,0,0]=4 187 B8R0.2 COC(=O)[C@@H](N)C(C)C SBB302661 [0,2,0,0,0,0|2,0,0]=4 188 B8R0.2 [C@H](C)(CC)[C@H](N)C(=O)O SBB037854 [0,2,0,0,0,0|2,0,0]=4 189 B8R0.2 [NH3+][C@H](C(=O)[O-])[C@H](C)OC SBB069865 [0,2,0,0,0,0|2,0,0]=4 190 B8R0.5 CCCC(C)CC(=O)O SBB061321 [0,2,0,0,0,0|2,0,0]=4 191 B8R0.5 CCOC(=O)CC(C)C SBB061114 [0,2,0,0,0,0|2,0,0]=4 192 B8R0.16 CCN(CC)CC(=O)O SBB010260 [0,2,0,0,0,0|1,0,0]=3 193 B8R0.16 CCN(CC)CC(C)N SBB020279 [0,2,0,0,0,0|1,0,1]=4 194 B8R0.19 CCN(C)CC(C)CN SBB046527 [0,2,0,0,0,0|1,0,1]=4 195 B8R0.24 CC(C)(C)CC(=O)NN SBB021013 [0,2,0,0,0,0|1,0,0]=3 196 B8R0.24 CC(C)(C)NC(=O)CN SBB302535 [0,2,0,0,0,0|2,0,0]=4 197 B8R0.24 CC(C)(C)OC(=O)CN SBB003877 [0,2,0,0,0,0|2,0,0]=4 198 B8R0.24 CC(C)(C)OC(=O)CN SBB069858 [0,2,0,0,0,0|2,0,0]=4 199 B8R0.24 CC(C)(C)OC(=O)NN SBB056790 [0,2,0,0,0,0|2,0,0]=4 200 B8R0.24 CC(C)(C)OC(=O)NO SBB059490 [0,2,0,0,0,0|2,0,0]=4 201 B8R0.24 CNC(=O)OC(C)(C)C SBB085461 [0,2,0,0,0,0|2,0,0]=4 202 B8R0.24 C[N+](C)(C)CC(=O)NN SBB058026 [0,2,0,0,0,0|0,0,1]=3 203 B8R0.34 C(=O)C(C)(C)CN(C)C SBB007757 [0,2,0,0,0,0|1,0,1]=4 204 B8R0.27 CC(C)(C)[C@H](N)C(=O)O SBB006594 [0,2,0,0,0,0|2,0,0]=4 205 B8R0.27 CC(C)(F)C(N)C(=O)O SBB028246 [0,2,0,0,0,0|2,0,0]=4 206 B8R0.27 CC(C)(S)[C@H](N)C(=O)O SBB000102 [0,2,0,0,0,0|2,0,0]=4 207 B8R0.18 CNC(C(C)=O)C(C)C SBB002847 [0,2,0,0,0,0|2,0,0]=4 208 B6R1.2 N1CCC(N)C1 SBB027337 [1,0,0,1,0,0|1,0,1]=4 209 B6R1.2 NC1=CCNN1 SBB023708 [1,0,0,1,0,0|2,0,0]=4 210 B6R1.2 NC1CCNC1 SBB003982 [1,0,0,1,0,0|1,0,1]=4 211 B6R1.2 O=C1CCCC1 SBB040835 [1,0,0,1,0,0|2,0,0]=4 212 B6R1.2 O=C1CCCN1 SBB060296 [1,0,0,1,0,0|1,0,0]=3 213 B6R1.2 O=C1CCNN1 SBB007977 [1,0,0,1,0,0|2,0,0]=4 214 B6R1.2 O=C1CCSC1 SBB007947 [1,0,0,1,0,0|2,0,0]=4 215 B6R1.11 CC(=O)C1CC1 SBB040825 [1,0,0,1,0,0|2,0,0]=4 216 B6R1.11 N=C(N)C1CC1 SBB028203 [1,0,0,1,0,0|2,0,0]=4 217 B6R1.11 NC(=O)C1CC1 SBB008326 [1,0,0,1,0,0|1,0,0]=3 218 B6R1.11 NC(=S)C1CC1 SBB024106 [1,0,0,1,0,0|1,1,0]=4 219 B6R1.11 O=C(Cl)C1CC1 SBB061720 [1,0,0,1,0,0|2,0,0]=4 220 B6R1.11 O=C(O)C1CC1 SBB008028 [1,0,0,1,0,0|2,0,0]=4 221 B8R1.3 CC1=NNC(=O)CC1 SBB043888 [0,0,0,1,0,1|2,0,0]=4 222 B8R1.3 CN1CCC(=O)CC1 SBB080527 [0,0,0,1,0,1|1,0,0]=3 223 B8R1.3 CN1CCC(N)CC1 SBB004306 [0,0,0,1,0,1|1,0,1]=4 224 B8R1.3 NN1CCN(C)CC1 SBB004299 [0,0,0,1,0,1|2,0,0]=4 225 B8R1.3 O=C1CNC(=O)CN1 SBB079702 [0,0,0,1,0,1|2,0,0]=4 226 B8R1.77 CC1(C)CC1C(=O)O SBB053459 [0,0,0,1,0,1|2,0,0]=4 227 B8R1.77 CC1(C)CC1C(N)=O SBB056262 [0,0,0,1,0,1|1,0,0]=3 228 B8R1.1 CNC1CCN(C)C1 SBB052021 [0,1,0,1,0,0|1,0,1]=4 229 B8R1.1 O=C1NCC(CBr)S1 SBB019210 [0,1,0,1,0,0|2,0,0]=4 230 B8R1.4 CN1CCCC(N)C1 SBB047756 [0,1,0,1,0,0|1,0,1]=4 231 B8R1.18 CC1=CC(N)=NN1C SBB009548 [0,1,0,1,0,0|2,0,0]=4 232 B8R1.18 CC1=NC(N)=NN1C SBB301929 [0,1,0,1,0,0|2,0,0]=4 233 B8R1.18 CC1=NN(C)C(=O)C1 SBB055838 [0,1,0,1,0,0|2,0,0]=4 234 B8R1.18 NN1CC(=O)NC1=O SBB004061 [0,1,0,1,0,0|1,0,1]=4 235 B8R1.34 O=C(O)CC1CCC1 SBB050298 [0,1,0,1,0,0|2,0,0]=4 236 B8R1.50 CC1=C(C)C(=O)NC1 SBB055792 [0,1,0,1,0,0|1,0,1]=4 237 B8R0.28 CC(=O)OCCC(C)C SBB040873 [0,0,0,0,0,2|2,0,0]=4 238 B8R0.28 CC(C)CCCC(=O)O SBB072713 [0,0,0,0,0,2|2,0,0]=4 239 B8R0.28 OC(=O)CCCN(C)C SBB005767 [0,0,0,0,0,2|1,0,0]=3 240 B8R0.28 [NH+](C)(C)CCCC(=O)O SBB058463 [0,0,0,0,0,2|1,0,1]=4