0 B7R1.2 CC1=CC(=O)NO1 SBB055813 [0,0,0,0,0,0|3,0,1]=4 1 B7R1.2 CC1=NN=C(N)O1 SBB046365 [0,0,0,0,0,0|3,0,1]=4 2 B7R1.2 CC1CNC(=S)N1 SBB055856 [0,0,0,0,0,0|2,1,0]=3 3 B7R1.2 N1N=C(C)CC1=O SBB004372 [0,0,0,0,0,0|3,0,1]=4 4 B7R1.2 N=C1/SCC(=O)N1 SBB004297 [0,0,0,0,0,0|3,0,1]=4 5 B7R1.2 NC1=NC(=O)CS1 SBB051924 [0,0,0,0,0,0|3,0,1]=4 6 B7R1.2 O=C1C=C(O)CO1 SBB056227 [0,0,0,0,0,0|3,0,1]=4 7 B7R1.2 O=C1C=CC(=O)O1 SBB060268 [0,0,0,0,0,0|1,0,3]=4 8 B7R1.2 O=C1CCC(=O)N1 SBB040866 [0,0,0,0,0,0|2,0,1]=3 9 B7R1.2 O=C1CCC(=O)O1 SBB040819 [0,0,0,0,0,0|1,0,1]=2 10 B7R1.2 O=C1CNC(=S)N1 SBB056249 [0,0,0,0,0,0|3,0,1]=4 11 B7R1.2 O=C1CNC(=S)S1 SBB035894 [0,0,0,0,0,0|2,1,1]=4 12 B7R1.2 O=C1COC(=O)C1 SBB008561 [0,0,0,0,0,0|3,0,1]=4 13 B7R1.2 O=C1CSC(=O)N1 SBB000047 [0,0,0,0,0,0|3,0,1]=4 14 B7R1.2 O=C1CSC(=S)N1 SBB000066 [0,0,0,0,0,0|3,0,1]=4 15 B7R1.2 O=C1CSC(S)=N1 SBB042652 [0,0,0,0,0,0|3,0,1]=4 16 B7R1.2 O=C1C[C@H](O)CO1 SBB055783 [0,0,0,0,0,0|3,0,0]=3 17 B7R1.2 O=C1NCC(=S)N1 SBB076199 [0,0,0,0,0,0|3,0,1]=4 18 B6R1.2 BrC1CCCC1 SBB040823 [1,0,0,0,0,0|2,0,1]=4 19 B6R1.2 CC1=NCCN1 SBB040067 [1,0,0,0,0,0|3,0,0]=4 20 B6R1.2 F[C@H]1CCNC1 SBB085616 [1,0,0,0,0,0|3,0,0]=4 21 B6R1.2 N1CCC(N)C1 SBB027337 [1,0,0,0,0,0|3,0,0]=4 22 B6R1.2 NC1=NCCN1 SBB300496 [1,0,0,0,0,0|3,0,0]=4 23 B6R1.2 NC1=NCCS1 SBB004361 [1,0,0,0,0,0|2,1,0]=4 24 B6R1.2 NC1CCCC1 SBB040467 [1,0,0,0,0,0|2,0,1]=4 25 B6R1.2 NC1CCNC1 SBB003982 [1,0,0,0,0,0|3,0,0]=4 26 B6R1.2 NN1CCCC1 SBB066760 [1,0,0,0,0,0|3,0,0]=4 27 B6R1.2 O=C1C=CCO1 SBB040281 [1,0,0,0,0,0|0,0,2]=3 28 B6R1.2 O=C1CCCC1 SBB040835 [1,0,0,0,0,0|1,0,0]=2 29 B6R1.2 O=C1CCCN1 SBB060296 [1,0,0,0,0,0|1,0,0]=2 30 B6R1.2 O=C1CCNN1 SBB007977 [1,0,0,0,0,0|2,0,0]=3 31 B6R1.2 O=C1CCSC1 SBB007947 [1,0,0,0,0,0|2,0,0]=3 32 B6R1.2 OC1=NNCC1 SBB047550 [1,0,0,0,0,0|2,0,1]=4 33 B6R1.2 OC1CCNC1 SBB056152 [1,0,0,0,0,0|3,0,0]=4 34 B6R1.2 O[C@H]1CCNC1 SBB004272 [1,0,0,0,0,0|3,0,0]=4 35 B6R1.2 O[C@H]1CCNC1 SBB027336 [1,0,0,0,0,0|3,0,0]=4 36 B6R1.2 O[C@H]1CCOC1 SBB062959 [1,0,0,0,0,0|3,0,0]=4 37 B6R1.2 S=C1NCCN1 SBB004362 [1,0,0,0,0,0|2,1,0]=4 38 B6R1.2 SC1=NCCS1 SBB004290 [1,0,0,0,0,0|1,2,0]=4 39 B8R1.1 CC1=CC=C(C=O)O1 SBB040222 [0,1,0,0,0,0|0,0,3]=4 40 B8R1.1 CCC1COC(=O)O1 SBB008625 [0,1,0,0,0,0|1,0,0]=2 41 B8R1.1 CN1CCC(CCl)C1 SBB012983 [0,1,0,0,0,0|3,0,0]=4 42 B8R1.1 CNC1CCN(C)C1 SBB052021 [0,1,0,0,0,0|3,0,0]=4 43 B8R1.1 NC1=NCC(CBr)O1 SBB010634 [0,1,0,0,0,0|2,0,0]=3 44 B8R1.1 NC1=NCC(CBr)S1 SBB300166 [0,1,0,0,0,0|2,1,0]=4 45 B8R1.1 O=C1C=C[C@H](CO)O1 SBB006580 [0,1,0,0,0,0|0,0,2]=3 46 B8R1.1 O=C1CCC(CCl)O1 SBB074378 [0,1,0,0,0,0|0,0,0]=1 47 B8R1.1 O=C1NCC(CBr)S1 SBB019210 [0,1,0,0,0,0|1,1,0]=3 48 B8R1.1 OC[C@@H]1CCC(=O)N1 SBB004302 [0,1,0,0,0,0|1,0,0]=2 49 B8R1.18 CC1=C(C)OC(=O)O1 SBB017270 [0,1,0,0,0,0|1,0,2]=4 50 B8R1.18 CC1=CC(=O)C(C)O1 SBB055769 [0,1,0,0,0,0|1,0,2]=4 51 B8R1.50 CC1=C(C)C(=O)NC1 SBB055792 [0,1,0,0,0,0|2,0,1]=4 52 B8R1.50 CC1C(=O)CCC1=O SBB060744 [0,1,0,0,0,0|2,0,1]=4 53 B8R1.50 O=C1CCC(=O)N1Br SBB007826 [0,1,0,0,0,0|2,0,1]=4 54 B8R1.50 O=C1CCC(=O)N1Cl SBB058749 [0,1,0,0,0,0|2,0,1]=4 55 B8R1.50 O=C1CCC(=O)N1I SBB056268 [0,1,0,0,0,0|2,0,1]=4 56 B8R1.51 CC1=CS(=O)(=O)CC1 SBB041230 [0,1,0,0,0,0|2,0,1]=4 57 B8R1.51 NC1CCS(=O)(=O)C1 SBB005601 [0,1,0,0,0,0|3,0,0]=4 58 B8R1.51 NC1CCS(=O)(=O)C1 SBB073006 [0,1,0,0,0,0|3,0,0]=4 59 B8R1.51 O=S1(=O)CCC(Br)C1 SBB019024 [0,1,0,0,0,0|3,0,0]=4 60 B8R1.51 O=S1(=O)CCC(Cl)C1 SBB041213 [0,1,0,0,0,0|3,0,0]=4 61 B8R1.51 O=S1(=O)CCC(O)C1 SBB001886 [0,1,0,0,0,0|3,0,0]=4 62 B6R0.1 C#CC(=O)OCC SBB060344 [0,0,1,0,0,0|0,0,2]=3 63 B6R0.1 C=CC(=O)OCC SBB060348 [0,0,1,0,0,0|0,0,2]=3 64 B6R0.1 CCC(C)N=C=S SBB021425 [0,0,1,0,0,0|1,1,1]=4 65 B6R0.1 CCCC(=O)CC SBB061496 [0,0,1,0,0,0|1,0,0]=2 66 B6R0.1 CCCC(=O)NN SBB028175 [0,0,1,0,0,0|3,0,0]=4 67 B6R0.1 CCCC(=O)OC SBB061104 [0,0,1,0,0,0|2,0,0]=3 68 B6R0.1 CCCC(O)CC SBB061363 [0,0,1,0,0,0|1,0,2]=4 69 B6R0.1 CCNC(=O)CBr SBB051008 [0,0,1,0,0,0|2,0,0]=3 70 B6R0.1 CCNC(=O)CCl SBB008200 [0,0,1,0,0,0|2,0,0]=3 71 B6R0.1 CCOC(=O)CBr SBB060995 [0,0,1,0,0,0|1,0,0]=2 72 B6R0.1 CCOC(=O)CC SBB060312 [0,0,1,0,0,0|0,0,0]=1 73 B6R0.1 CCOC(=O)NN SBB028182 [0,0,1,0,0,0|2,0,0]=3 74 B6R0.1 COC(=O)CCBr SBB070709 [0,0,1,0,0,0|3,0,0]=4 75 B6R0.1 COC(=O)CCN SBB071679 [0,0,1,0,0,0|3,0,0]=4 76 B6R0.1 C\C=C\C(=O)OC SBB061218 [0,0,1,0,0,0|2,0,1]=4 77 B6R0.1 OCNC(=O)CCl SBB004273 [0,0,1,0,0,0|3,0,0]=4 78 B6R0.1 [NH3+]CC(=O)OCC SBB056599 [0,0,1,0,0,0|1,0,0]=2 79 B6R0.2 C=C(C)OC(C)=O SBB056824 [0,0,1,0,0,0|0,0,2]=3 80 B6R0.2 CC(=O)C=C(C)C SBB040870 [0,0,1,0,0,0|1,0,1]=3 81 B6R0.2 CC(=O)CC(C)=O SBB009914 [0,0,1,0,0,0|2,0,1]=4 82 B6R0.2 CC(=O)CC(C)C SBB060384 [0,0,1,0,0,0|1,0,0]=2 83 B6R0.2 CC(=O)\C=C(\C)N SBB007945 [0,0,1,0,0,0|2,0,1]=4 84 B6R0.2 CC(=O)\C=C(\C)[O-] SBB080715 [0,0,1,0,0,0|2,0,1]=4 85 B6R0.2 CC(C)=CC(=O)O SBB065769 [0,0,1,0,0,0|2,0,1]=4 86 B6R0.2 CC(C)CC(=O)Cl SBB040623 [0,0,1,0,0,0|2,0,0]=3 87 B6R0.2 CC(C)CC(C)Br SBB007950 [0,0,1,0,0,0|2,0,1]=4 88 B6R0.2 CC(C)CC(C)O SBB061337 [0,0,1,0,0,0|1,0,2]=4 89 B6R0.2 CC(C)CC(N)=O SBB028167 [0,0,1,0,0,0|2,0,0]=3 90 B6R0.2 CC(C)NC(C)C SBB059763 [0,0,1,0,0,0|2,0,1]=4 91 B6R0.2 CC(O)CC(=O)O SBB065815 [0,0,1,0,0,0|3,0,0]=4 92 B6R0.2 CN(C)CC(=O)O SBB065779 [0,0,1,0,0,0|3,0,0]=4 93 B6R0.2 [NH+](C)(C)CC(=O)O SBB061663 [0,0,1,0,0,0|3,0,0]=4 94 B6R0.4 C#CCCC(=O)O SBB009121 [0,0,1,0,0,0|0,0,2]=3 95 B6R0.4 C=CCCC(=O)O SBB061214 [0,0,1,0,0,0|0,0,2]=3 96 B6R0.4 C=CCCC(C)=O SBB009089 [0,0,1,0,0,0|1,0,2]=4 97 B6R0.4 C=COCC(C)C SBB060157 [0,0,1,0,0,0|3,0,0]=4 98 B6R0.4 CC(=O)NCCCl SBB008165 [0,0,1,0,0,0|3,0,0]=4 99 B6R0.4 CC(=O)NCCN SBB028176 [0,0,1,0,0,0|3,0,0]=4 100 B6R0.4 CC(=O)NCCO SBB007954 [0,0,1,0,0,0|3,0,0]=4 101 B6R0.4 CC(=O)OCCCl SBB058505 [0,0,1,0,0,0|3,0,0]=4 102 B6R0.4 CC(C)COC=O SBB061244 [0,0,1,0,0,0|2,0,0]=3 103 B6R0.4 CCC#CC(C)=O SBB009086 [0,0,1,0,0,0|1,0,2]=4 104 B6R0.4 CCCCC(=O)O SBB053585 [0,0,1,0,0,0|0,0,0]=1 105 B6R0.4 CCCCC(C)=O SBB061262 [0,0,1,0,0,0|1,0,0]=2 106 B6R0.4 CCCCC(C)O SBB061290 [0,0,1,0,0,0|1,0,1]=3 107 B6R0.4 CCCCC(N)=O SBB028169 [0,0,1,0,0,0|1,0,0]=2 108 B6R0.4 CCCCN(C)C SBB060243 [0,0,1,0,0,0|3,0,0]=4 109 B6R0.4 CCCNC(N)=O SBB028174 [0,0,1,0,0,0|2,0,0]=3 110 B6R0.4 CCCOC(C)=O SBB060305 [0,0,1,0,0,0|2,0,0]=3 111 B6R0.4 CCCOC(N)=O SBB000036 [0,0,1,0,0,0|2,0,0]=3 112 B6R0.4 CCOCC(=O)O SBB069120 [0,0,1,0,0,0|1,0,0]=2 113 B6R0.4 CCOCC(C)O SBB061006 [0,0,1,0,0,0|2,0,1]=4 114 B6R0.4 CCSCC(=O)O SBB047288 [0,0,1,0,0,0|1,0,0]=2 115 B6R0.4 CC\C=C\C(=O)O SBB061994 [0,0,1,0,0,0|0,0,2]=3 116 B6R0.4 CNCCC(N)=O SBB080375 [0,0,1,0,0,0|2,0,0]=3 117 B6R0.4 NCCCC(=O)O SBB028179 [0,0,1,0,0,0|1,0,0]=2 118 B6R0.4 O=C(Cl)CCCCl SBB060894 [0,0,1,0,0,0|2,0,0]=3 119 B6R0.4 O=C(O)CCCBr SBB065986 [0,0,1,0,0,0|1,0,0]=2 120 B8R2.34 C1CC2CC1CN2 SBB013021 [0,0,0,1,0,0|2,0,1]=4 121 B8R1.3 CC1=NNC(=O)CC1 SBB043888 [0,0,0,0,0,1|1,0,1]=3 122 B8R1.3 CC1CCC(C)CC1 SBB061451 [0,0,0,0,0,1|2,0,1]=4 123 B8R1.3 CC1CCC(O)CC1 SBB060479 [0,0,0,0,0,1|1,0,2]=4 124 B8R1.3 CN1CCC(=O)CC1 SBB080527 [0,0,0,0,0,1|2,0,0]=3 125 B8R1.3 C[C@H]1CC[C@H](N)CC1 SBB069772 [0,0,0,0,0,1|2,0,1]=4 126 B8R1.3 O=C1CCC(=O)CC1 SBB059391 [0,0,0,0,0,1|2,0,1]=4 127 B8R1.3 O=C1CCC(O)CC1 SBB056283 [0,0,0,0,0,1|2,0,0]=3 128 B8R1.4 CC1=CC(=O)CCC1 SBB007736 [0,0,0,0,0,1|1,0,1]=3 129 B8R1.4 CC1CCCC(C)C1 SBB061164 [0,0,0,0,0,1|2,0,1]=4 130 B8R1.4 CC1CCCC(C)N1 SBB004313 [0,0,0,0,0,1|2,0,1]=4 131 B8R1.4 CC1CCCC(O)C1 SBB061310 [0,0,0,0,0,1|1,0,2]=4 132 B8R1.4 CC1CCNC(C)C1 SBB004310 [0,0,0,0,0,1|2,0,1]=4 133 B8R1.4 CC1CNCC(C)C1 SBB027312 [0,0,0,0,0,1|2,0,1]=4 134 B8R1.4 CC1CNCC(C)O1 SBB040955 [0,0,0,0,0,1|1,0,1]=3 135 B8R1.4 C[C@H]1CNC[C@@H](C)N1 SBB056139 [0,0,0,0,0,1|2,0,1]=4 136 B8R1.4 NC1=CC(=O)CCC1 SBB028190 [0,0,0,0,0,1|2,0,1]=4 137 B8R1.4 O=C1CCCC(=O)C1 SBB061546 [0,0,0,0,0,1|2,0,1]=4 138 B8R1.4 O=C1CCCC(=O)O1 SBB060010 [0,0,0,0,0,1|1,0,1]=3 139 B8R1.4 O=C1CCNC(=O)N1 SBB007702 [0,0,0,0,0,1|2,0,1]=4 140 B8R1.4 O=C1COCC(=O)O1 SBB060695 [0,0,0,0,0,1|1,0,1]=3 141 B8R1.4 O=C1CSCC(=O)O1 SBB085808 [0,0,0,0,0,1|1,0,1]=3 142 B5R0.1 C#CCC(=O)O SBB116169 [1,0,1,0,0,0|0,0,2]=4 143 B5R0.1 CC(C)CCBr SBB061181 [1,0,1,0,0,0|2,0,0]=4 144 B5R0.1 CC(C)CCO SBB060162 [1,0,1,0,0,0|1,0,1]=4 145 B5R0.1 CC(C)N=C=O SBB046976 [1,0,1,0,0,0|1,0,1]=4 146 B5R0.1 CCCC(=O)Cl SBB040624 [1,0,1,0,0,0|1,0,0]=3 147 B5R0.1 CCOC(=O)Cl SBB040861 [1,0,1,0,0,0|1,0,0]=3 148 B5R0.1 COCC(=O)O SBB061376 [1,0,1,0,0,0|1,0,0]=3 149 B5R0.1 CSCC(=O)O SBB053570 [1,0,1,0,0,0|1,0,0]=3 150 B5R0.1 O=C(O)CCBr SBB065770 [1,0,1,0,0,0|1,0,0]=3 151 B5R0.1 O=C(O)CCCl SBB069140 [1,0,1,0,0,0|1,0,0]=3 152 B5R0.2 C=COCCCl SBB061485 [1,0,1,0,0,0|2,0,0]=4 153 B5R0.2 C=COCCN SBB072719 [1,0,1,0,0,0|2,0,0]=4 154 B5R0.2 CCCCCBr SBB059933 [1,0,1,0,0,0|1,0,1]=4 155 B5R0.2 CCCCCCl SBB059951 [1,0,1,0,0,0|1,0,1]=4 156 B5R0.2 CCNNCC SBB069584 [1,0,1,0,0,0|2,0,0]=4 157 B5R0.2 CCOCCBr SBB008332 [1,0,1,0,0,0|1,0,1]=4 158 B5R0.2 CCOCCCl SBB061015 [1,0,1,0,0,0|1,0,1]=4 159 B5R0.2 CCOCCN SBB072161 [1,0,1,0,0,0|1,0,1]=4 160 B5R0.2 CSCCCO SBB056451 [1,0,1,0,0,0|1,0,1]=4 161 B5R0.2 OCCCCCl SBB002444 [1,0,1,0,0,0|1,0,1]=4 162 B5R0.3 C#CC(=O)OC SBB049642 [1,0,1,0,0,0|0,0,2]=4 163 B5R0.3 CCC(=O)NN SBB021112 [1,0,1,0,0,0|2,0,0]=4 164 B5R0.3 CCC(C)CBr SBB007669 [1,0,1,0,0,0|1,0,1]=4 165 B5R0.3 CCC(N)CC SBB000050 [1,0,1,0,0,0|1,0,1]=4 166 B5R0.3 CCC(N)CC SBB071911 [1,0,1,0,0,0|1,0,1]=4 167 B5R0.3 CNC(=O)CBr SBB080576 [1,0,1,0,0,0|2,0,0]=4 168 B5R0.3 CNC(=O)CCl SBB049936 [1,0,1,0,0,0|2,0,0]=4 169 B5R0.3 COC(=O)CBr SBB056823 [1,0,1,0,0,0|1,0,0]=3 170 B5R0.3 COC(=O)CCl SBB040686 [1,0,1,0,0,0|1,0,0]=3 171 B5R0.3 COC(=O)NN SBB061728 [1,0,1,0,0,0|2,0,0]=4 172 B5R0.3 P(=O)(OC)OC SBB060964 [1,0,1,0,0,0|2,0,0]=4 173 B7R0.2 CC(C)NC(=O)CBr SBB051007 [0,1,1,0,0,0|2,0,0]=4 174 B7R0.2 CC(C)NC(=O)CCl SBB016573 [0,1,1,0,0,0|2,0,0]=4 175 B7R0.2 CC(C)NC(=O)CN SBB085357 [0,1,1,0,0,0|2,0,0]=4 176 B7R0.2 CC(C)OC(=O)CCl SBB040600 [0,1,1,0,0,0|1,0,0]=3 177 B7R0.2 CC(C)OC(=O)CS SBB061230 [0,1,1,0,0,0|1,0,0]=3 178 B7R0.2 CCC(=O)OC(C)C SBB061101 [0,1,1,0,0,0|0,0,0]=2 179 B7R0.2 CCC(C)CC(=O)O SBB008180 [0,1,1,0,0,0|1,0,0]=3 180 B7R0.2 CCC(C)NC(N)=O SBB008605 [0,1,1,0,0,0|1,0,0]=3 181 B7R0.2 CC\C(C)=C\C(C)C SBB060471 [0,1,1,0,0,0|2,0,0]=4 182 B7R0.3 C=C(CC)CCCC SBB060475 [0,1,1,0,0,0|2,0,0]=4 183 B7R0.3 CCC(=O)OCCCl SBB060315 [0,1,1,0,0,0|0,0,0]=2 184 B7R0.3 CCCNC(=O)CCl SBB016586 [0,1,1,0,0,0|2,0,0]=4 185 B7R0.3 CCCOC(=O)CCl SBB060962 [0,1,1,0,0,0|1,0,0]=3 186 B7R0.3 CCCOC(=O)CS SBB061003 [0,1,1,0,0,0|1,0,0]=3 187 B7R0.3 CCOCC(=O)NN SBB080108 [0,1,1,0,0,0|2,0,0]=4 188 B7R0.3 CNCCC(=O)NC SBB046578 [0,1,1,0,0,0|2,0,0]=4 189 B7R0.3 CNCCC(=O)NC SBB080433 [0,1,1,0,0,0|2,0,0]=4 190 B7R0.3 O=C(CCl)OCCCl SBB061273 [0,1,1,0,0,0|1,0,0]=3 191 B7R0.5 C=C(C)C(=O)OCC SBB061402 [0,1,1,0,0,0|0,0,1]=3 192 B7R0.5 CCCC(=O)N(C)C SBB008345 [0,1,1,0,0,0|2,0,0]=4 193 B7R0.5 CCOC(=O)C(C)Br SBB058608 [0,1,1,0,0,0|0,0,0]=2 194 B7R0.5 CCOC(=O)C(C)C SBB060711 [0,1,1,0,0,0|0,0,0]=2 195 B7R0.5 CCOC(=O)C(C)N SBB004040 [0,1,1,0,0,0|0,0,0]=2 196 B7R0.5 CCOC(=O)C(F)Br SBB070746 [0,1,1,0,0,0|1,0,0]=3 197 B7R0.5 CCOC(=O)C(F)I SBB097841 [0,1,1,0,0,0|1,0,0]=3 198 B7R0.5 CCOC(=O)C(N)=S SBB056420 [0,1,1,0,0,0|1,0,1]=4 199 B7R0.7 C=C=CC(=O)OCC SBB054147 [0,1,1,0,0,0|0,0,2]=4 200 B7R0.7 CC#CC(=O)OCC SBB069554 [0,1,1,0,0,0|0,0,1]=3 201 B7R0.7 CCCC(=O)CCC SBB060386 [0,1,1,0,0,0|1,0,0]=3 202 B7R0.7 CCNC(=O)CC#N SBB000040 [0,1,1,0,0,0|1,0,1]=4 203 B7R0.7 CCNC(=O)NCC SBB058550 [0,1,1,0,0,0|1,0,0]=3 204 B7R0.7 CCOC(=O)CC#N SBB040821 [0,1,1,0,0,0|0,0,1]=3 205 B7R0.7 CCOC(=O)CCBr SBB070739 [0,1,1,0,0,0|0,0,0]=2 206 B7R0.7 CCOC(=O)CCN SBB004038 [0,1,1,0,0,0|0,0,0]=2 207 B7R0.7 CCOC(=O)CNN SBB021976 [0,1,1,0,0,0|1,0,0]=3 208 B7R0.7 CCOC(=O)CNN SBB054137 [0,1,1,0,0,0|1,0,0]=3 209 B7R0.7 CCOC(=O)N=C=S SBB066610 [0,1,1,0,0,0|1,0,1]=4 210 B7R0.7 CCOC(=O)OCC SBB060086 [0,1,1,0,0,0|0,0,0]=2 211 B7R0.7 CCOC(C)OCC SBB058503 [0,1,1,0,0,0|1,0,1]=4 212 B7R0.7 CCOS(=O)OCC SBB060108 [0,1,1,0,0,0|1,0,0]=3 213 B7R0.7 C\C=C\C(=O)OCC SBB061219 [0,1,1,0,0,0|0,0,1]=3 214 B7R0.7 N(C)CC(=O)OCC SBB004039 [0,1,1,0,0,0|0,0,0]=2 215 B7R0.7 P(=O)(OCC)OCC SBB056825 [0,1,1,0,0,0|1,0,0]=3 216 B7R0.10 CCC(Br)C(=O)OC SBB070737 [0,1,1,0,0,0|2,0,0]=4 217 B7R0.9 CC(=O)CC(C)(C)O SBB009084 [0,1,1,0,0,0|1,0,0]=3 218 B7R0.9 CC(=O)NC(C)(C)C SBB008192 [0,1,1,0,0,0|1,0,0]=3 219 B7R0.9 CC(C)(C)CC(=O)Cl SBB058618 [0,1,1,0,0,0|2,0,0]=4 220 B7R0.9 CC(C)(C)CC(=O)O SBB061347 [0,1,1,0,0,0|2,0,0]=4 221 B7R0.9 CC(C)(C)NC(N)=O SBB008606 [0,1,1,0,0,0|2,0,0]=4 222 B7R0.9 CC(C)(O)CC(=O)O SBB053604 [0,1,1,0,0,0|2,0,0]=4 223 B7R0.9 CC(C)=CC(C)(C)C SBB060469 [0,1,1,0,0,0|2,0,0]=4 224 B7R0.16 CC(C)C(N)C(N)=O SBB017492 [0,1,1,0,0,0|2,0,0]=4 225 B7R0.16 CC(C)[C@@H](N)C(=O)O SBB006709 [0,1,1,0,0,0|2,0,0]=4 226 B7R0.16 CC(C)[C@@H](O)C(=O)O SBB053572 [0,1,1,0,0,0|2,0,0]=4 227 B7R0.16 CC(C)[C@H](Br)C(=O)O SBB065818 [0,1,1,0,0,0|2,0,0]=4 228 B7R0.16 CC(C)[C@H](N)C(N)=O SBB056426 [0,1,1,0,0,0|2,0,0]=4 229 B7R0.4 C#CCCCC(=O)O SBB009090 [0,1,1,0,0,0|0,0,1]=3 230 B7R0.4 CCCC#CC(=O)O SBB009091 [0,1,1,0,0,0|0,0,1]=3 231 B7R0.4 CCCCCC(=O)Cl SBB060011 [0,1,1,0,0,0|1,0,0]=3 232 B7R0.4 CCCCCC(=O)O SBB053586 [0,1,1,0,0,0|0,0,0]=2 233 B7R0.4 CCCCCC(C)=O SBB061125 [0,1,1,0,0,0|1,0,0]=3 234 B7R0.4 CCCCCC(N)=O SBB061056 [0,1,1,0,0,0|1,0,0]=3 235 B7R0.4 CCCCNC(N)=S SBB028242 [0,1,1,0,0,0|1,1,0]=4 236 B7R0.4 CCCCOC(N)=O SBB060819 [0,1,1,0,0,0|1,0,0]=3 237 B7R0.4 CCCOCC(C)O SBB061007 [0,1,1,0,0,0|1,0,1]=4 238 B7R0.4 CCC\C=C\C(=O)O SBB009088 [0,1,1,0,0,0|0,0,1]=3 239 B7R0.4 CCOCCC(=O)O SBB053607 [0,1,1,0,0,0|0,0,0]=2 240 B7R0.4 COCCOC(C)=O SBB060999 [0,1,1,0,0,0|2,0,0]=4 241 B7R0.4 NCCCCC(=O)O SBB061559 [0,1,1,0,0,0|0,0,0]=2 242 B7R0.4 O=C(O)CCCCBr SBB061343 [0,1,1,0,0,0|0,0,0]=2 243 B7R0.4 O=C(O)CCCCCl SBB061215 [0,1,1,0,0,0|0,0,0]=2 244 B7R0.4 OC(=O)C\C=C/CC SBB006610 [0,1,1,0,0,0|0,0,1]=3 245 B7R0.4 [NH2+]=C(N)SCCCC SBB060794 [0,1,1,0,0,0|2,0,0]=4 246 B7R0.6 CC(=O)CCC(=O)O SBB040561 [0,1,1,0,0,0|0,0,1]=3 247 B7R0.6 CC(=O)CCC(C)=O SBB040811 [0,1,1,0,0,0|0,0,2]=4 248 B7R0.6 CC(=O)NCC(=O)O SBB036034 [0,1,1,0,0,0|1,0,1]=4 249 B7R0.6 CC(C)CCC(=O)O SBB065829 [0,1,1,0,0,0|0,0,0]=2 250 B7R0.6 CC(C)CCC(C)O SBB061318 [0,1,1,0,0,0|1,0,1]=4 251 B7R0.6 CC(C)CNC(N)=O SBB008242 [0,1,1,0,0,0|2,0,0]=4 252 B7R0.6 CC(C)\C=C\C(=O)O SBB061966 [0,1,1,0,0,0|0,0,2]=4 253 B7R0.6 O=C(O)CCC(=O)O SBB040562 [0,1,1,0,0,0|1,0,1]=4 254 B7R0.8 CCCCS(=O)(=O)Cl SBB061680 [0,1,1,0,0,0|1,0,1]=4 255 B7R0.8 CNCCS(=O)(=O)O SBB072665 [0,1,1,0,0,0|2,0,0]=4 256 B7R0.8 NCCCP(=O)(O)O SBB004184 [0,1,1,0,0,0|2,0,0]=4 257 B7R1.1 BrCC1CCCC1 SBB054968 [1,1,0,0,0,0|1,0,1]=4 258 B7R1.1 BrCC1CCCO1 SBB003909 [1,1,0,0,0,0|0,0,1]=3 259 B7R1.1 BrCC1OCCO1 SBB070708 [1,1,0,0,0,0|1,0,1]=4 260 B7R1.1 ClCC1CCCN1 SBB018633 [1,1,0,0,0,0|1,0,1]=4 261 B7R1.1 ClCC1CCCO1 SBB008957 [1,1,0,0,0,0|0,0,1]=3 262 B7R1.1 N#CC1=CCCC1 SBB007727 [1,1,0,0,0,0|2,0,0]=4 263 B7R1.1 NCC1CCCO1 SBB028168 [1,1,0,0,0,0|0,0,1]=3 264 B7R1.1 O=CC1CCCC1 SBB069481 [1,1,0,0,0,0|1,0,1]=4 265 B7R1.1 OCC1CCCC1 SBB008516 [1,1,0,0,0,0|1,0,1]=4 266 B7R1.1 OCC1CCCO1 SBB058567 [1,1,0,0,0,0|0,0,1]=3 267 B7R1.1 OCC1CCNC1 SBB046413 [1,1,0,0,0,0|2,0,0]=4 268 B7R1.1 OCC1OCCO1 SBB059646 [1,1,0,0,0,0|1,0,1]=4 269 B7R1.1 OC[C@H]1CCCN1 SBB027252 [1,1,0,0,0,0|1,0,1]=4 270 B7R1.1 ON=C1CCCC1 SBB060393 [1,1,0,0,0,0|1,0,1]=4 271 B7R1.4 CN1CCCC1=O SBB060297 [1,1,0,0,0,0|1,0,0]=3 272 B7R1.4 NC1CCOC1=O SBB004366 [1,1,0,0,0,0|0,0,0]=2 273 B7R1.4 NC1CCOC1=O SBB057192 [1,1,0,0,0,0|0,0,0]=2 274 B7R1.4 NC1CCSC1=O SBB004035 [1,1,0,0,0,0|0,1,0]=3 275 B7R1.4 N[C@H]1CONC1=O SBB006706 [1,1,0,0,0,0|2,0,0]=4 276 B7R1.4 O=C1OCCC1Br SBB083094 [1,1,0,0,0,0|0,0,0]=2 277 B7R1.14 O=S1(=O)CCCC1 SBB057389 [1,1,0,0,0,0|2,0,0]=4 278 B7R1.10 C=C1CC(CN)C1 SBB052508 [0,1,0,0,1,0|2,0,0]=4 279 B7R1.10 O=C1CC(CO)C1 SBB054867 [0,1,0,0,1,0|1,0,0]=3 280 B9R1.1 CC1CCC(=NO)CC1 SBB108710 [0,1,0,0,0,1|1,0,1]=4 281 B9R1.1 CCC1CCC(=O)CC1 SBB059272 [0,1,0,0,0,1|1,0,0]=3 282 B9R1.1 CCN1CCC(=O)CC1 SBB061714 [0,1,0,0,0,1|2,0,0]=4 283 B9R1.1 O=C1CCC(CO)CC1 SBB054860 [0,1,0,0,0,1|1,0,0]=3 284 B9R1.10 CC1(C)COC(=O)OC1 SBB007778 [0,1,0,0,0,1|1,0,0]=3 285 B9R1.10 O=C1CCC(F)(F)CC1 SBB085853 [0,1,0,0,0,1|2,0,0]=4 286 B9R1.69 CC1CN(C)CCC1=O SBB001724 [0,1,0,0,0,1|2,0,0]=4 287 B9R1.69 CC1CNC(=O)NC1=O SBB058146 [0,1,0,0,0,1|2,0,0]=4 288 B9R1.2 CCN1CCCC(=O)C1 SBB056089 [0,1,0,0,0,1|2,0,0]=4 289 B9R1.2 O=C1CCCC(CO)C1 SBB054862 [0,1,0,0,0,1|1,0,0]=3 290 B9R1.34 CC1=CC(O)CC(=O)O1 SBB055955 [0,1,0,0,0,1|0,0,1]=3 291 B9R1.34 CC1CC(=O)CC(=O)C1 SBB042020 [0,1,0,0,0,1|1,0,0]=3 292 B9R1.34 CC1CC(=O)CC(C)O1 SBB056218 [0,1,0,0,0,1|1,0,0]=3 293 B9R1.34 CC1CC(=O)NC(=O)N1 SBB007701 [0,1,0,0,0,1|1,0,1]=4 294 B9R1.66 CC1(C)CC(=O)CCO1 SBB048828 [0,1,0,0,0,1|1,0,0]=3 295 B9R1.23 CN1CC(CO)CC1=O SBB054853 [0,2,0,0,0,0|2,0,0]=4 296 B9R1.35 O=C1CCC(C(=O)O)C1 SBB069114 [0,2,0,0,0,0|1,0,1]=4 297 B9R1.35 O=C1CC[C@@H](C(=O)O)N1 SBB004232 [0,2,0,0,0,0|1,0,1]=4 298 B9R1.133 CC1(C)OC[C@H](C=O)O1 SBB052344 [0,2,0,0,0,0|1,0,1]=4 299 B9R1.133 CNC1CCS(=O)(=O)C1 SBB005677 [0,2,0,0,0,0|2,0,0]=4 300 B9R1.133 NCC1CCS(=O)(=O)C1 SBB019221 [0,2,0,0,0,0|2,0,0]=4 301 B9R1.133 O=S1(=O)CCC(CCl)C1 SBB019127 [0,2,0,0,0,0|2,0,0]=4 302 B9R1.38 C=C1OC(=O)OC1(C)C SBB001554 [0,2,0,0,0,0|1,0,1]=4 303 B9R1.38 CC1CC(C)S(=O)(=O)C1 SBB058474 [0,2,0,0,0,0|2,0,0]=4 304 B9R1.138 CC1(C)COC(=O)C1O SBB055782 [0,2,0,0,0,0|2,0,0]=4 305 B9R1.138 CC1(C)COC(=O)[C@@H]1O SBB017517 [0,2,0,0,0,0|2,0,0]=4 306 B9R1.146 CC1(N)CCS(=O)(=O)C1 SBB010318 [0,2,0,0,0,0|2,0,0]=4 307 B7R1.3 CC1CC=CCC1 SBB060473 [0,0,1,1,0,0|2,0,0]=4 308 B7R1.3 O=C1C=CCCC1 SBB008209 [0,0,1,1,0,0|1,0,1]=4 309 B7R1.3 O=C1CCCCC1 SBB060074 [0,0,1,1,0,0|1,0,0]=3 310 B7R1.3 O=C1CCCCO1 SBB060349 [0,0,1,1,0,0|0,0,0]=2 311 B7R1.3 O=C1CCOCC1 SBB049627 [0,0,1,1,0,0|2,0,0]=4 312 B7R1.3 O=C1CCSCC1 SBB048121 [0,0,1,1,0,0|2,0,0]=4 313 B7R1.3 O=C1CNCCN1 SBB000034 [0,0,1,1,0,0|2,0,0]=4 314 B7R1.3 OC1CCCCO1 SBB055947 [0,0,1,1,0,0|0,0,2]=4 315 B7R1.22 O=C(CBr)C1CC1 SBB051680 [0,0,1,1,0,0|2,0,0]=4 316 B7R1.12 C[C@H]1C[C@H]1C(=O)O SBB069055 [0,0,1,1,0,0|2,0,0]=4 317 B7R1.20 O=C(O)CC1CC1 SBB005442 [0,0,1,1,0,0|2,0,0]=4 318 B7R1.7 CCCCC1CO1 SBB017137 [0,0,1,1,0,0|1,0,1]=4 319 B7R1.18 NC(=O)C1CCC1 SBB111823 [0,0,1,1,0,0|1,0,0]=3 320 B7R1.18 O=C(Cl)C1CCC1 SBB007882 [0,0,1,1,0,0|1,0,0]=3 321 B7R1.18 O=C(O)C1CCC1 SBB053465 [0,0,1,1,0,0|0,0,0]=2 322 B7R1.18 O=C(O)C1CCN1 SBB053470 [0,0,1,1,0,0|1,0,0]=3 323 B7R1.18 O=C(O)C1CNC1 SBB027353 [0,0,1,1,0,0|1,0,0]=3 324 B7R1.18 O=C(O)[C@@H]1CCN1 SBB004365 [0,0,1,1,0,0|1,0,0]=3 325 B9R2.39 O=C1CC2CCC1C2 SBB072159 [0,0,0,1,0,1|1,0,0]=3 326 B9R2.39 [C@@H]12C=C[C@@H](C1)NC2=O SBB056352 [0,0,0,1,0,1|1,0,1]=4 327 B9R2.68 C1CC2CNCC1O2 SBB056375 [0,0,0,1,0,1|1,0,1]=4 328 B5R0.5 CC(=O)C(C)Cl SBB060958 [0,0,1,0,1,0|1,0,0]=3 329 B5R0.5 CC(=O)C(F)F SBB021370 [0,0,1,0,1,0|2,0,0]=4 330 B5R0.5 CC(=S)N(C)C SBB007924 [0,0,1,0,1,0|1,1,0]=4 331 B5R0.5 CC(Br)C(=O)O SBB060286 [0,0,1,0,1,0|2,0,0]=4 332 B5R0.5 CC(C)C(=N)N SBB056456 [0,0,1,0,1,0|2,0,0]=4 333 B5R0.5 CC(C)C(=O)Cl SBB060269 [0,0,1,0,1,0|1,0,0]=3 334 B5R0.5 CC(O)C(=O)O SBB065762 [0,0,1,0,1,0|2,0,0]=4 335 B5R0.5 CN(C)C(=O)Cl SBB040876 [0,0,1,0,1,0|2,0,0]=4 336 B5R0.5 CN(C)C(=O)[O-] SBB059132 [0,0,1,0,1,0|2,0,0]=4 337 B9R1.49 O=C1CCC(=O)COC1 SBB000058 [0,0,0,0,0,2|1,0,1]=4