0 B10R1.17 BrCCCC1=CN=CC=C1 SBB014930 [0,0,0,0,0,0|3,0,0]=3 1 B10R1.17 BrCCOC1=CC=CC=C1 SBB042586 [0,0,0,0,0,0|3,0,0]=3 2 B10R1.17 BrCCSC1=CC=CC=C1 SBB059699 [0,0,0,0,0,0|3,0,0]=3 3 B10R1.17 C#CCNC1=CC=CC=C1 SBB010262 [0,0,0,0,0,0|2,0,1]=3 4 B10R1.17 C#CCOC1=CC=CC=C1 SBB008983 [0,0,0,0,0,0|2,0,1]=3 5 B10R1.17 C(=O)CCC1=CC=CC=C1 SBB006730 [0,0,0,0,0,0|2,0,0]=2 6 B10R1.17 C(=O)NNC1=CC=CC=C1 SBB008261 [0,0,0,0,0,0|4,0,0]=4 7 B10R1.17 C=CCCC1=CC=CC=C1 SBB008476 [0,0,0,0,0,0|1,0,1]=2 8 B10R1.17 CCCNC1=CC=CC=C1 SBB059800 [0,0,0,0,0,0|2,0,0]=2 9 B10R1.17 CCCOC1=CC=CC=C1 SBB061098 [0,0,0,0,0,0|2,0,0]=2 10 B10R1.17 CCNCC1=CC=CC=C1 SBB058765 [0,0,0,0,0,0|2,0,0]=2 11 B10R1.17 CCNCC1=CC=NC=C1 SBB058813 [0,0,0,0,0,0|3,0,0]=3 12 B10R1.17 CCOCC1=CC=CC=C1 SBB061196 [0,0,0,0,0,0|2,0,0]=2 13 B10R1.17 CCSCC1=CC=CC=C1 SBB061362 [0,0,0,0,0,0|2,0,0]=2 14 B10R1.17 CNCCC1=NC=CC=C1 SBB017551 [0,0,0,0,0,0|1,0,0]=1 15 B10R1.17 CNCCC1=NC=CC=C1 SBB040053 [0,0,0,0,0,0|1,0,0]=1 16 B10R1.17 ClCCCC1=CC=CC=C1 SBB061361 [0,0,0,0,0,0|2,0,0]=2 17 B10R1.17 ClCOCC1=CC=CC=C1 SBB064207 [0,0,0,0,0,0|3,0,0]=3 18 B10R1.17 ClCSCC1=CC=CC=C1 SBB055458 [0,0,0,0,0,0|3,0,0]=3 19 B10R1.17 ClC\C=C\C1=CC=CC=C1 SBB040602 [0,0,0,0,0,0|2,0,2]=4 20 B10R1.17 N#CCCC1=NC=CC=C1 SBB018592 [0,0,0,0,0,0|3,0,0]=3 21 B10R1.17 N#CCOC1=CC=CC=C1 SBB016774 [0,0,0,0,0,0|3,0,0]=3 22 B10R1.17 N#CSCC1=CC=CC=C1 SBB056767 [0,0,0,0,0,0|3,0,0]=3 23 B10R1.17 N#C\C=C\C1=CC=CC=C1 SBB060940 [0,0,0,0,0,0|2,0,2]=4 24 B10R1.17 N(CC=C)C1=CC=CC=C1 SBB004211 [0,0,0,0,0,0|2,0,1]=3 25 B10R1.17 NCCCC1=CC=CC=C1 SBB028248 [0,0,0,0,0,0|2,0,0]=2 26 B10R1.17 NCCCC1=CC=CC=N1 SBB012768 [0,0,0,0,0,0|3,0,0]=3 27 B10R1.17 NCCNC1=CC=CC=C1 SBB004200 [0,0,0,0,0,0|3,0,0]=3 28 B10R1.17 NCCOC1=CC=CC=C1 SBB085982 [0,0,0,0,0,0|3,0,0]=3 29 B10R1.17 NCCSC1=CC=CC=C1 SBB047720 [0,0,0,0,0,0|3,0,0]=3 30 B10R1.17 NCCSC1=NC=CC=C1 SBB050976 [0,0,0,0,0,0|4,0,0]=4 31 B10R1.17 O=C=NCC1=CC=CC=C1 SBB048859 [0,0,0,0,0,0|3,0,0]=3 32 B10R1.17 O=COCC1=CC=CC=C1 SBB061238 [0,0,0,0,0,0|3,0,0]=3 33 B10R1.17 O=C\C=C\C1=CC=CC=C1 SBB028652 [0,0,0,0,0,0|2,0,2]=4 34 B10R1.17 OCC#CC1=CC=CC=C1 SBB015103 [0,0,0,0,0,0|2,0,2]=4 35 B10R1.17 OCCCC1=CC=CC=C1 SBB061127 [0,0,0,0,0,0|2,0,0]=2 36 B10R1.17 OCCCC1=CC=NC=C1 SBB072686 [0,0,0,0,0,0|3,0,0]=3 37 B10R1.17 OCCOC1=CC=CC=C1 SBB060485 [0,0,0,0,0,0|3,0,0]=3 38 B10R1.17 OC\C=C\C1=CC=CC=C1 SBB058645 [0,0,0,0,0,0|2,0,2]=4 39 B10R1.17 S=C=NCC1=CC=CC=C1 SBB002731 [0,0,0,0,0,0|3,0,0]=3 40 B10R1.17 [N-]=[N+]=NCC1=CC=CC=C1 SBB008183 [0,0,0,0,0,0|2,0,1]=3 41 B9R1.8 BrCCC1=CC=CC=C1 SBB059945 [1,0,0,0,0,0|1,0,0]=2 42 B9R1.8 BrCCC1=NC=CC=C1 SBB014931 [1,0,0,0,0,0|2,0,0]=3 43 B9R1.8 CCCC1=CC=CC=C1 SBB061210 [1,0,0,0,0,0|0,0,0]=1 44 B9R1.8 CCNC1=CC=CC=C1 SBB058818 [1,0,0,0,0,0|1,0,0]=2 45 B9R1.8 CNCC1=CC=CC=C1 SBB073015 [1,0,0,0,0,0|0,0,0]=1 46 B9R1.8 CNCC1=CC=CN=C1 SBB052430 [1,0,0,0,0,0|1,0,0]=2 47 B9R1.8 CNCC1=CC=NC=C1 SBB047816 [1,0,0,0,0,0|1,0,0]=2 48 B9R1.8 CNCC1=NC=CC=C1 SBB052457 [1,0,0,0,0,0|1,0,0]=2 49 B9R1.8 CNCC1=NC=CN=C1 SBB014431 [1,0,0,0,0,0|2,0,0]=3 50 B9R1.8 COCC1=CC=CC=C1 SBB063549 [1,0,0,0,0,0|1,0,0]=2 51 B9R1.8 ClCCC1=NC=CC=C1 SBB014886 [1,0,0,0,0,0|2,0,0]=3 52 B9R1.8 N#CCC1=CC=CC=C1 SBB058386 [1,0,0,0,0,0|0,0,2]=3 53 B9R1.8 N#CCC1=CC=CN=C1 SBB027148 [1,0,0,0,0,0|1,0,2]=4 54 B9R1.8 N#CCC1=CC=NC=C1 SBB066966 [1,0,0,0,0,0|1,0,2]=4 55 B9R1.8 N#CCC1=NC=CC=C1 SBB049639 [1,0,0,0,0,0|1,0,2]=4 56 B9R1.8 N#CSC1=CC=CC=C1 SBB060831 [1,0,0,0,0,0|1,0,2]=4 57 B9R1.8 NCCC1=CC=CC=C1 SBB058801 [1,0,0,0,0,0|0,0,0]=1 58 B9R1.8 NCCC1=CC=CN=C1 SBB028204 [1,0,0,0,0,0|1,0,0]=2 59 B9R1.8 NCCC1=CC=CN=C1 SBB052465 [1,0,0,0,0,0|1,0,0]=2 60 B9R1.8 NCCC1=CC=NC=C1 SBB014221 [1,0,0,0,0,0|1,0,0]=2 61 B9R1.8 NCCC1=NC=CC=C1 SBB028206 [1,0,0,0,0,0|1,0,0]=2 62 B9R1.8 NCCC1=NC=CN=C1 SBB010197 [1,0,0,0,0,0|2,0,0]=3 63 B9R1.8 NNCC1=CC=CC=C1 SBB063024 [1,0,0,0,0,0|1,0,0]=2 64 B9R1.8 NOCC1=CC=CC=C1 SBB003971 [1,0,0,0,0,0|1,0,0]=2 65 B9R1.8 NOCC1=CC=CC=C1 SBB032957 [1,0,0,0,0,0|1,0,0]=2 66 B9R1.8 O=CCC1=CC=CC=C1 SBB061710 [1,0,0,0,0,0|1,0,1]=3 67 B9R1.8 O=CNC1=CC=CC=C1 SBB058769 [1,0,0,0,0,0|2,0,1]=4 68 B9R1.8 O=S=NC1=CC=CC=C1 SBB007761 [1,0,0,0,0,0|3,0,0]=4 69 B9R1.8 OCCC1=CC=CC=C1 SBB040879 [1,0,0,0,0,0|1,0,0]=2 70 B9R1.8 S=C=NC1=CC=CC=C1 SBB040940 [1,0,0,0,0,0|2,0,1]=4 71 B9R1.8 SCCC1=CC=NC=C1 SBB065275 [1,0,0,0,0,0|2,0,0]=3 72 B9R1.8 SCCC1=NC=CN=C1 SBB067078 [1,0,0,0,0,0|3,0,0]=4 73 B11R1.1 BrCCOC1=CC=C(Br)C=C1 SBB042543 [0,1,0,0,0,0|3,0,0]=4 74 B11R1.1 C#CCNC1=CC=C(C)C=C1 SBB010306 [0,1,0,0,0,0|2,0,1]=4 75 B11R1.1 C=CCCC1=CC=C(F)C=C1 SBB008824 [0,1,0,0,0,0|1,0,1]=3 76 B11R1.1 C=CCOC1=CC=C(N)C=C1 SBB079900 [0,1,0,0,0,0|2,0,1]=4 77 B11R1.1 CC1=CC=C(NCCO)C=C1 SBB010327 [0,1,0,0,0,0|3,0,0]=4 78 B11R1.1 CC1=CC=C(OCC#N)C=C1 SBB086536 [0,1,0,0,0,0|3,0,0]=4 79 B11R1.1 CC1=CC=C(OCCBr)C=C1 SBB018129 [0,1,0,0,0,0|3,0,0]=4 80 B11R1.1 CC1=CC=C(OCCN)C=C1 SBB016458 [0,1,0,0,0,0|3,0,0]=4 81 B11R1.1 CC1=CC=C(SCCN)C=C1 SBB076443 [0,1,0,0,0,0|3,0,0]=4 82 B11R1.1 CCCCC1=CC=C(Cl)C=C1 SBB116909 [0,1,0,0,0,0|1,0,0]=2 83 B11R1.1 CCCCC1=CC=C(N)C=C1 SBB008298 [0,1,0,0,0,0|1,0,0]=2 84 B11R1.1 CCCCC1=CC=C(O)C=C1 SBB059153 [0,1,0,0,0,0|1,0,0]=2 85 B11R1.1 CCCCC1=CN=C(Cl)N=C1 SBB059368 [0,1,0,0,0,0|3,0,0]=4 86 B11R1.1 CCCOC1=CC=C(Br)C=C1 SBB059354 [0,1,0,0,0,0|2,0,0]=3 87 B11R1.1 CCCOC1=CC=C(N)C=C1 SBB008316 [0,1,0,0,0,0|2,0,0]=3 88 B11R1.1 CCCOC1=CC=C(O)C=C1 SBB059151 [0,1,0,0,0,0|2,0,0]=3 89 B11R1.1 CCNCC1=CC=C(Cl)C=C1 SBB080066 [0,1,0,0,0,0|2,0,0]=3 90 B11R1.1 ClC1=CC=C(OCCBr)C=C1 SBB040699 [0,1,0,0,0,0|3,0,0]=4 91 B11R1.1 FC1=CC=C(CN=C=S)C=C1 SBB066522 [0,1,0,0,0,0|3,0,0]=4 92 B11R1.1 FC1=CC=C(OCCBr)C=C1 SBB071709 [0,1,0,0,0,0|3,0,0]=4 93 B11R1.1 N#CCCC1=CC=C(O)C=C1 SBB055251 [0,1,0,0,0,0|2,0,0]=3 94 B11R1.1 N#CCCN1C=CC(=O)C=C1 SBB072987 [0,1,0,0,0,0|3,0,0]=4 95 B11R1.1 N#CCOC1=CC=C(Cl)C=C1 SBB088115 [0,1,0,0,0,0|3,0,0]=4 96 B11R1.1 N#CCOC1=CC=C(F)C=C1 SBB072988 [0,1,0,0,0,0|3,0,0]=4 97 B11R1.1 N#CCSC1=CC=C(Cl)C=C1 SBB062069 [0,1,0,0,0,0|3,0,0]=4 98 B11R1.1 N#CCSC1=CC=C(F)C=C1 SBB088094 [0,1,0,0,0,0|3,0,0]=4 99 B11R1.1 NC1=CC=C(NCCO)C=C1 SBB006780 [0,1,0,0,0,0|3,0,0]=4 100 B11R1.1 NC1=CC=C(OCCO)C=C1 SBB024256 [0,1,0,0,0,0|3,0,0]=4 101 B11R1.1 NCCCC1=CC=C(Cl)C=C1 SBB010509 [0,1,0,0,0,0|2,0,0]=3 102 B11R1.1 NCCOC1=CC=C(Br)C=C1 SBB050336 [0,1,0,0,0,0|3,0,0]=4 103 B11R1.1 NCCOC1=CC=C(Cl)C=C1 SBB010531 [0,1,0,0,0,0|3,0,0]=4 104 B11R1.1 NCCOC1=CC=C(F)C=C1 SBB010365 [0,1,0,0,0,0|3,0,0]=4 105 B11R1.1 NCCOC1=CC=C(N)C=C1 SBB050309 [0,1,0,0,0,0|3,0,0]=4 106 B11R1.1 NCCSC1=CC=C(F)C=C1 SBB073189 [0,1,0,0,0,0|3,0,0]=4 107 B11R1.1 OC1=CC=C(OCCBr)C=C1 SBB051429 [0,1,0,0,0,0|3,0,0]=4 108 B11R1.1 OCCCC1=CC=C(Cl)C=C1 SBB055172 [0,1,0,0,0,0|2,0,0]=3 109 B11R1.1 OCCSC1=CC=C(Cl)C=C1 SBB090866 [0,1,0,0,0,0|3,0,0]=4 110 B11R1.16 CC(CCN)C1=CC=CC=C1 SBB085501 [0,1,0,0,0,0|2,0,0]=3 111 B11R1.16 CC(N=C=O)C1=CC=CC=C1 SBB023344 [0,1,0,0,0,0|3,0,0]=4 112 B11R1.16 CC(N=C=S)C1=CC=CC=C1 SBB029868 [0,1,0,0,0,0|3,0,0]=4 113 B11R1.16 CC(NC=O)C1=CC=CC=C1 SBB068791 [0,1,0,0,0,0|3,0,0]=4 114 B11R1.16 CCCC(=O)C1=CC=CC=C1 SBB058761 [0,1,0,0,0,0|1,0,1]=3 115 B11R1.16 CCC[C@@H](N)C1=CC=CC=C1 SBB070021 [0,1,0,0,0,0|1,0,0]=2 116 B11R1.16 CCNC(=O)C1=CC=CC=C1 SBB058216 [0,1,0,0,0,0|2,0,1]=4 117 B11R1.16 CCOC(=O)C1=CC=CC=C1 SBB058595 [0,1,0,0,0,0|2,0,1]=4 118 B11R1.16 CN(CCN)C1=CC=CC=C1 SBB085429 [0,1,0,0,0,0|3,0,0]=4 119 B11R1.16 CN(CCO)C1=CC=CC=C1 SBB007818 [0,1,0,0,0,0|3,0,0]=4 120 B11R1.16 CNCC(C)C1=CC=CC=C1 SBB028094 [0,1,0,0,0,0|0,0,0]=1 121 B11R1.16 N#CCC(=O)C1=CC=CC=C1 SBB004121 [0,1,0,0,0,0|2,0,1]=4 122 B11R1.16 O=C(CCCl)C1=CC=CC=C1 SBB063710 [0,1,0,0,0,0|2,0,1]=4 123 B11R1.16 O=C(CCF)C1=CC=CC=C1 SBB063711 [0,1,0,0,0,0|2,0,1]=4 124 B11R1.16 OC(C#CBr)C1=CC=CC=C1 SBB013371 [0,1,0,0,0,0|2,0,1]=4 125 B11R1.17 C=CCOC1=C(C)C=CC=C1 SBB008365 [0,1,0,0,0,0|2,0,1]=4 126 B11R1.17 C=CCOC1=C(N)C=CC=C1 SBB010317 [0,1,0,0,0,0|2,0,1]=4 127 B11R1.17 C=CCOC1=C(N)C=CC=C1 SBB080031 [0,1,0,0,0,0|2,0,1]=4 128 B11R1.17 CC1=C(OCCN)C=CC=C1 SBB014044 [0,1,0,0,0,0|3,0,0]=4 129 B11R1.17 CC1=CC=CC=C1NCCO SBB007819 [0,1,0,0,0,0|3,0,0]=4 130 B11R1.17 CC1=CC=CC=C1OCC#N SBB016775 [0,1,0,0,0,0|3,0,0]=4 131 B11R1.17 CC1=CC=CC=C1OCCCl SBB300045 [0,1,0,0,0,0|3,0,0]=4 132 B11R1.17 CCCOC1=CC=CC=C1C SBB060850 [0,1,0,0,0,0|2,0,0]=3 133 B11R1.17 CCCOC1=CC=CC=C1N SBB027936 [0,1,0,0,0,0|2,0,0]=3 134 B11R1.17 FC1=CC=CC=C1OCCBr SBB011402 [0,1,0,0,0,0|3,0,0]=4 135 B11R1.17 N#CCCN1C=CC=CC1=O SBB072331 [0,1,0,0,0,0|3,0,0]=4 136 B11R1.17 N#CCOC1=C(Cl)C=CC=C1 SBB088116 [0,1,0,0,0,0|3,0,0]=4 137 B11R1.17 N#CCOC1=CC=CC=C1Br SBB005817 [0,1,0,0,0,0|3,0,0]=4 138 B11R1.17 NC1=CC=CC=C1OCCO SBB024257 [0,1,0,0,0,0|3,0,0]=4 139 B11R1.17 NCCCC1=CC=CC=C1Cl SBB010508 [0,1,0,0,0,0|2,0,0]=3 140 B11R1.17 NCCCN1C=CC=CC1=O SBB072557 [0,1,0,0,0,0|3,0,0]=4 141 B11R1.17 NCCOC1=CC=CC=C1Cl SBB017899 [0,1,0,0,0,0|3,0,0]=4 142 B11R1.17 NCCOC1=CC=CC=C1F SBB039943 [0,1,0,0,0,0|3,0,0]=4 143 B11R1.17 OCCOC1=C(O)C=CC=C1 SBB008523 [0,1,0,0,0,0|3,0,0]=4 144 B11R1.24 CC1=CC(OCCBr)=CC=C1 SBB018128 [0,1,0,0,0,0|3,0,0]=4 145 B11R1.24 CC1=CC=CC(CCCO)=N1 SBB047991 [0,1,0,0,0,0|3,0,0]=4 146 B11R1.24 CC1=CC=CC(OCCN)=C1 SBB014043 [0,1,0,0,0,0|3,0,0]=4 147 B11R1.24 CCCNC1=CC(C)=CC=C1 SBB048620 [0,1,0,0,0,0|2,0,0]=3 148 B11R1.24 CCCOC1=CC(N)=CC=C1 SBB080014 [0,1,0,0,0,0|2,0,0]=3 149 B11R1.24 N#CCCC1=CC(Br)=CC=C1 SBB058929 [0,1,0,0,0,0|2,0,0]=3 150 B11R1.24 NC1=CC(OCCO)=CC=C1 SBB085153 [0,1,0,0,0,0|3,0,0]=4 151 B11R1.24 NCCOC1=CC(Br)=CC=C1 SBB072545 [0,1,0,0,0,0|3,0,0]=4 152 B11R1.24 NCCOC1=CC(Cl)=CC=C1 SBB050335 [0,1,0,0,0,0|3,0,0]=4 153 B11R1.24 NCCOC1=CC=CC(F)=C1 SBB027281 [0,1,0,0,0,0|3,0,0]=4 154 B11R1.28 C#CCNCC1=CC=CC=C1 SBB300092 [0,1,0,0,0,0|1,0,1]=3 155 B11R1.28 CC#CCNC1=CC=CC=C1 SBB010305 [0,1,0,0,0,0|1,0,1]=3 156 B11R1.28 CCCCCC1=CC=CC=C1 SBB057141 [0,1,0,0,0,0|1,0,0]=2 157 B11R1.28 CCCCNC1=CC=CC=C1 SBB058812 [0,1,0,0,0,0|1,0,0]=2 158 B11R1.28 CCCCOC1=CC=CC=C1 SBB060061 [0,1,0,0,0,0|1,0,0]=2 159 B11R1.28 CCCNCC1=CC=CC=C1 SBB080024 [0,1,0,0,0,0|1,0,0]=2 160 B11R1.28 CCCOCC1=CC=CC=C1 SBB061197 [0,1,0,0,0,0|1,0,0]=2 161 B11R1.28 CCC\C=N\C1=CC=CC=C1 SBB055434 [0,1,0,0,0,0|1,0,1]=3 162 B11R1.28 CCO\C=N\C1=CC=CC=C1 SBB059636 [0,1,0,0,0,0|2,0,1]=4 163 B11R1.28 CNCCOC1=CC=CC=C1 SBB027283 [0,1,0,0,0,0|0,0,0]=1 164 B11R1.28 COCCSC1=CC=CC=C1 SBB116878 [0,1,0,0,0,0|1,0,0]=2 165 B11R1.28 ClCCCOC1=CC=CC=C1 SBB300461 [0,1,0,0,0,0|2,0,0]=3 166 B11R1.28 ClCCNCC1=CC=CC=C1 SBB052393 [0,1,0,0,0,0|2,0,0]=3 167 B11R1.28 N#CCCCC1=NC=CC=C1 SBB018559 [0,1,0,0,0,0|2,0,1]=4 168 B11R1.28 N#CCCNC1=CC=CC=C1 SBB004106 [0,1,0,0,0,0|2,0,0]=3 169 B11R1.28 NCCCCC1=NC=CC=C1 SBB018864 [0,1,0,0,0,0|2,0,0]=3 170 B11R1.28 NCCCOC1=CC=CC=C1 SBB043657 [0,1,0,0,0,0|2,0,0]=3 171 B11R1.28 NCCCSC1=CC=CC=C1 SBB071863 [0,1,0,0,0,0|2,0,0]=3 172 B11R1.28 NCCNCC1=CC=CC=C1 SBB028295 [0,1,0,0,0,0|2,0,0]=3 173 B11R1.28 NCCOCC1=CC=CC=C1 SBB050278 [0,1,0,0,0,0|2,0,0]=3 174 B11R1.28 NCCOCC1=CC=CC=C1 SBB055150 [0,1,0,0,0,0|2,0,0]=3 175 B11R1.28 NCCSCC1=CC=CC=C1 SBB003512 [0,1,0,0,0,0|2,0,0]=3 176 B11R1.28 O=C=NCCC1=CC=CC=C1 SBB048864 [0,1,0,0,0,0|0,0,2]=3 177 B11R1.28 OCCNCC1=CC=CC=C1 SBB004062 [0,1,0,0,0,0|2,0,0]=3 178 B11R1.28 OCCNCC1=CC=CN=C1 SBB010335 [0,1,0,0,0,0|3,0,0]=4 179 B11R1.28 OCCNCC1=NC=CC=C1 SBB110041 [0,1,0,0,0,0|3,0,0]=4 180 B11R1.28 OCCOCC1=CC=CC=C1 SBB063066 [0,1,0,0,0,0|2,0,0]=3 181 B11R1.28 OCCSCC1=CC=CC=C1 SBB058901 [0,1,0,0,0,0|2,0,0]=3 182 B11R1.28 S=C=NCCC1=CC=CC=C1 SBB002732 [0,1,0,0,0,0|0,0,2]=3 183 B11R1.40 C1=CC=C(NC(=S)NC)C=C1 SBB003887 [0,1,0,0,0,0|1,0,1]=3 184 B11R1.40 CC(CN)OC1=CC=CC=C1 SBB028307 [0,1,0,0,0,0|3,0,0]=4 185 B11R1.40 CCC(=O)CC1=CC=CC=C1 SBB060892 [0,1,0,0,0,0|1,0,1]=3 186 B11R1.40 CNC(=O)NC1=CC=CC=C1 SBB008334 [0,1,0,0,0,0|1,0,1]=3 187 B11R1.40 CNC(C)CC1=CC=CC=N1 SBB025630 [0,1,0,0,0,0|1,0,0]=2 188 B11R1.40 CNC(C)CC1=CN=CC=N1 SBB025635 [0,1,0,0,0,0|2,0,0]=3 189 B11R1.40 NNC(=O)CC1=CC=CC=C1 SBB046750 [0,1,0,0,0,0|1,0,1]=3 190 B11R1.40 NNC(=O)C[N+]1=CC=CC=C1 SBB040738 [0,1,0,0,0,0|2,0,1]=4 191 B11R1.40 NNC(=O)NC1=CC=CC=C1 SBB028305 [0,1,0,0,0,0|2,0,1]=4 192 B11R1.40 NNC(=S)NC1=CC=CC=C1 SBB007538 [0,1,0,0,0,0|2,0,1]=4 193 B11R1.40 N\C(CC1=CC=CC=C1)=N/O SBB055188 [0,1,0,0,0,0|1,0,2]=4 194 B11R1.40 O=C(CC1=CC=CC=C1)NO SBB086771 [0,1,0,0,0,0|1,0,1]=3 195 B11R1.91 CC(=O)C#CC1=CC=CC=C1 SBB015101 [0,1,0,0,0,0|1,0,2]=4 196 B11R1.91 CC(=O)CCC1=CC=CC=C1 SBB058827 [0,1,0,0,0,0|1,0,0]=2 197 B11R1.91 CC(=O)NNC1=CC=CC=C1 SBB058004 [0,1,0,0,0,0|3,0,0]=4 198 B11R1.91 CC(=O)OCC1=CC=CC=C1 SBB058375 [0,1,0,0,0,0|2,0,0]=3 199 B11R1.91 CC(=O)O[I+]C1=CC=CC=C1 SBB057853 [0,1,0,0,0,0|3,0,0]=4 200 B11R1.91 CC(C)=CCC1=CC=CC=C1 SBB007979 [0,1,0,0,0,0|1,0,1]=3 201 B11R1.91 CC(C)NCC1=CC=CC=C1 SBB048017 [0,1,0,0,0,0|2,0,0]=3 202 B11R1.91 CC(N)CCC1=CC=CC=C1 SBB059846 [0,1,0,0,0,0|1,0,0]=2 203 B11R1.91 CC(N)COC1=CC=CC=C1 SBB084093 [0,1,0,0,0,0|2,0,0]=3 204 B11R1.91 CC(O)C#CC1=CC=CC=C1 SBB015100 [0,1,0,0,0,0|1,0,2]=4 205 B11R1.91 CN(C)CCC1=NC=CC=C1 SBB086734 [0,1,0,0,0,0|1,0,0]=2 206 B11R1.91 CN(C)\C=N\C1=CC=CC=C1 SBB007927 [0,1,0,0,0,0|1,0,1]=3 207 B11R1.91 N=C(N)CSC1=CC=CC=C1 SBB055427 [0,1,0,0,0,0|3,0,0]=4 208 B11R1.91 NC(=O)CCC1=CC=CC=C1 SBB058119 [0,1,0,0,0,0|2,0,0]=3 209 B11R1.91 NC(=O)COC1=CC=CC=C1 SBB028296 [0,1,0,0,0,0|3,0,0]=4 210 B11R1.91 NC(=O)NCC1=CC=CC=C1 SBB058548 [0,1,0,0,0,0|3,0,0]=4 211 B11R1.91 NC(=O)OCC1=CC=CC=C1 SBB058407 [0,1,0,0,0,0|3,0,0]=4 212 B11R1.91 NC(=S)CCC1=NC=CC=C1 SBB019122 [0,1,0,0,0,0|3,0,0]=4 213 B11R1.91 NC(=S)COC1=CC=CC=C1 SBB016514 [0,1,0,0,0,0|3,0,0]=4 214 B11R1.91 NC(=S)NCC1=CC=CC=C1 SBB088032 [0,1,0,0,0,0|3,0,0]=4 215 B11R1.91 NC(N)=NCC1=CC=CC=C1 SBB055108 [0,1,0,0,0,0|3,0,0]=4 216 B11R1.91 O=C(Cl)CCC1=CC=CC=C1 SBB058859 [0,1,0,0,0,0|2,0,0]=3 217 B11R1.91 O=C(Cl)COC1=CC=CC=C1 SBB040630 [0,1,0,0,0,0|3,0,0]=4 218 B11R1.91 O=C(Cl)OCC1=CC=CC=C1 SBB063193 [0,1,0,0,0,0|3,0,0]=4 219 B11R1.91 O=C(O)CCC1=CC=CC=C1 SBB056662 [0,1,0,0,0,0|2,0,0]=3 220 B11R1.91 O=C(O)CCC1=CC=CC=N1 SBB018634 [0,1,0,0,0,0|3,0,0]=4 221 B11R1.91 O=C(O)CCC1=CC=NC=C1 SBB012865 [0,1,0,0,0,0|3,0,0]=4 222 B11R1.91 O=C(O)CCC1=CN=CC=C1 SBB028468 [0,1,0,0,0,0|3,0,0]=4 223 B11R1.91 O=C(O)CNC1=CC=CC=C1 SBB028637 [0,1,0,0,0,0|3,0,0]=4 224 B11R1.91 O=C(O)COC1=CC=CC=C1 SBB040522 [0,1,0,0,0,0|3,0,0]=4 225 B11R1.91 O=C(O)CSC1=CC=CC=C1 SBB001712 [0,1,0,0,0,0|3,0,0]=4 226 B11R1.91 OB(O)CCC1=CC=CC=C1 SBB071100 [0,1,0,0,0,0|2,0,0]=3 227 B11R2.1 CC1=CNC2=CC=CC=C12 SBB055975 [0,0,0,1,0,0|2,0,1]=4 228 B11R2.1 CC1=CSC2=CC=CC=C12 SBB086600 [0,0,0,1,0,0|2,0,1]=4 229 B11R2.1 CC1CCC2=NC=CN=C21 SBB057575 [0,0,0,1,0,0|3,0,0]=4 230 B11R2.1 NC1=NCC2=C1C=CC=C2 SBB003870 [0,0,0,1,0,0|3,0,0]=4 231 B11R2.1 NC1=NCC2=C1C=CC=C2 SBB003871 [0,0,0,1,0,0|3,0,0]=4 232 B11R2.1 NC1CCC2=C1C=CC=C2 SBB004212 [0,0,0,1,0,0|2,0,0]=3 233 B11R2.1 NN1N=NC2=C1C=CC=C2 SBB004208 [0,0,0,1,0,0|3,0,0]=4 234 B11R2.1 O=C1CCC2=C1C=CC=N2 SBB056372 [0,0,0,1,0,0|3,0,0]=4 235 B11R2.1 O=C1CCC2=CC=CC=C12 SBB056339 [0,0,0,1,0,0|2,0,0]=3 236 B11R2.1 O=C1COC2=CC=CC=C12 SBB056285 [0,0,0,1,0,0|3,0,0]=4 237 B11R2.1 O=C1OCC2=C1C=CC=C2 SBB056840 [0,0,0,1,0,0|3,0,0]=4 238 B11R2.1 OC1CCC2=C1C=CC=N2 SBB056373 [0,0,0,1,0,0|3,0,0]=4 239 B11R2.1 ON1N=NC2=C1C=CC=C2 SBB000114 [0,0,0,1,0,0|3,0,0]=4 240 B11R2.1 ON1N=NC2=CC=CC=C21 SBB056385 [0,0,0,1,0,0|3,0,0]=4 241 B11R2.20 C1=CC2=C(C=C1)CCCC2 SBB060619 [0,0,0,1,0,0|1,0,0]=2 242 B11R2.20 C1=CC2=C(C=C1)CNCC2 SBB027303 [0,0,0,1,0,0|0,0,0]=1 243 B11R2.20 C1=CC2=C(C=C1)SCCN2 SBB010332 [0,0,0,1,0,0|3,0,0]=4 244 B11R2.20 C1=CC=C2NCCCC2=C1 SBB040463 [0,0,0,1,0,0|2,0,0]=3 245 B11R2.20 C1=CC=C2OCCNC2=C1 SBB039942 [0,0,0,1,0,0|3,0,0]=4 246 B11R2.988 N#CC1CC2=CC=CC=C21 SBB056297 [0,0,0,1,0,0|2,0,0]=3 247 B9R1.12 CCCCN1C=CN=C1 SBB108734 [0,0,0,0,1,0|3,0,0]=4 248 B9R1.12 CCNCC1=CC=CO1 SBB047492 [0,0,0,0,1,0|3,0,0]=4 249 B9R1.12 CNCCC1=CNN=C1 SBB025640 [0,0,0,0,1,0|2,0,0]=3 250 B9R1.12 CSSCC1=CC=CO1 SBB057326 [0,0,0,0,1,0|3,0,0]=4 251 B9R1.12 NCCCC1=CC=CO1 SBB047796 [0,0,0,0,1,0|3,0,0]=4 252 B8R1.2 BrCC1=CC=NC=C1 SBB054924 [2,0,0,0,0,0|2,0,0]=4 253 B8R1.2 BrCC1=NC=CC=C1 SBB054926 [2,0,0,0,0,0|2,0,0]=4 254 B8R1.2 C#CC1=CC=CC=C1 SBB040919 [2,0,0,0,0,0|0,0,2]=4 255 B8R1.2 CCC1=CC=CC=C1 SBB040891 [2,0,0,0,0,0|0,0,0]=2 256 B8R1.2 CCC1=CC=CC=N1 SBB060373 [2,0,0,0,0,0|1,0,0]=3 257 B8R1.2 CCC1=CC=NC=C1 SBB061128 [2,0,0,0,0,0|1,0,0]=3 258 B8R1.2 CCC1=CN=CC=C1 SBB060374 [2,0,0,0,0,0|1,0,0]=3 259 B8R1.2 CNC1=CC=CC=C1 SBB008162 [2,0,0,0,0,0|0,0,0]=2 260 B8R1.2 CNC1=CC=CC=C1 SBB059778 [2,0,0,0,0,0|0,0,0]=2 261 B8R1.2 CNC1=NC=CN=C1 SBB018751 [2,0,0,0,0,0|2,0,0]=4 262 B8R1.2 ClCC1=CC=NC=C1 SBB003917 [2,0,0,0,0,0|2,0,0]=4 263 B8R1.2 ClCC1=NC=CC=C1 SBB054925 [2,0,0,0,0,0|2,0,0]=4 264 B8R1.2 N#CC1=CC=CC=C1 SBB028746 [2,0,0,0,0,0|0,0,2]=4 265 B8R1.2 NCC1=CC=CC=C1 SBB040473 [2,0,0,0,0,0|0,0,0]=2 266 B8R1.2 NCC1=CC=CN=C1 SBB004351 [2,0,0,0,0,0|1,0,0]=3 267 B8R1.2 NCC1=CC=NC=C1 SBB004350 [2,0,0,0,0,0|1,0,0]=3 268 B8R1.2 NCC1=NC=CC=C1 SBB004352 [2,0,0,0,0,0|1,0,0]=3 269 B8R1.2 NCC1=NC=CN=C1 SBB014584 [2,0,0,0,0,0|2,0,0]=4 270 B8R1.2 NCC1=NC=NC=C1 SBB086444 [2,0,0,0,0,0|2,0,0]=4 271 B8R1.2 NNC1=CC=CC=C1 SBB040886 [2,0,0,0,0,0|1,0,0]=3 272 B8R1.2 NNC1=CC=NC=C1 SBB018987 [2,0,0,0,0,0|2,0,0]=4 273 B8R1.2 OCC1=CC=CC=C1 SBB058558 [2,0,0,0,0,0|1,0,0]=3 274 B8R1.2 OCC1=CC=CN=C1 SBB004344 [2,0,0,0,0,0|2,0,0]=4 275 B8R1.2 OCC1=CC=NC=C1 SBB004347 [2,0,0,0,0,0|2,0,0]=4 276 B8R1.2 OCC1=NC=CC=C1 SBB004348 [2,0,0,0,0,0|2,0,0]=4 277 B8R1.2 ONC1=CC=CC=C1 SBB008413 [2,0,0,0,0,0|1,0,0]=3 278 B8R1.2 [NH+]1=CC=CC(CCl)=C1 SBB061738 [2,0,0,0,0,0|2,0,0]=4 279 B8R1.2 [NH3+]NC1=CC=CC=C1 SBB060000 [2,0,0,0,0,0|1,0,0]=3 280 B10R0.71 CCCCC\C=C\C=C\C=O SBB066368 [0,1,1,0,0,0|1,0,1]=4 281 B10R1.1 CC1=CC=C(CC#N)C=C1 SBB063995 [1,1,0,0,0,0|0,0,2]=4 282 B10R1.1 CC1=CC=C(CC=O)C=C1 SBB052212 [1,1,0,0,0,0|1,0,1]=4 283 B10R1.1 CC1=CC=C(CON)C=C1 SBB021738 [1,1,0,0,0,0|1,0,0]=3 284 B10R1.1 CCCC1=CC=C(N)C=C1 SBB008337 [1,1,0,0,0,0|0,0,0]=2 285 B10R1.1 CCCC1=CC=C(O)C=C1 SBB055506 [1,1,0,0,0,0|0,0,0]=2 286 B10R1.1 CCCC1=CN=C(Cl)N=C1 SBB054517 [1,1,0,0,0,0|2,0,0]=4 287 B10R1.1 CCCC1=CN=C(S)N=C1 SBB066482 [1,1,0,0,0,0|2,0,0]=4 288 B10R1.1 CCOC1=CC=C(Br)C=C1 SBB059353 [1,1,0,0,0,0|1,0,0]=3 289 B10R1.1 CCOC1=CC=C(C)C=C1 SBB060988 [1,1,0,0,0,0|1,0,0]=3 290 B10R1.1 CCOC1=CC=C(Cl)C=C1 SBB040853 [1,1,0,0,0,0|1,0,0]=3 291 B10R1.1 CCOC1=CC=C(F)C=C1 SBB086157 [1,1,0,0,0,0|1,0,0]=3 292 B10R1.1 CCOC1=CC=C(N)C=C1 SBB040442 [1,1,0,0,0,0|1,0,0]=3 293 B10R1.1 CCOC1=CC=C(N)C=C1 SBB073014 [1,1,0,0,0,0|1,0,0]=3 294 B10R1.1 CCOC1=CC=C(O)C=C1 SBB043810 [1,1,0,0,0,0|1,0,0]=3 295 B10R1.1 CCOC1=NC=C(Br)C=C1 SBB054264 [1,1,0,0,0,0|2,0,0]=4 296 B10R1.1 CCSC1=CC=C(N)C=C1 SBB071614 [1,1,0,0,0,0|1,0,0]=3 297 B10R1.1 CNCC1=CC=C(C)C=C1 SBB079252 [1,1,0,0,0,0|0,0,0]=2 298 B10R1.1 CNCC1=CC=C(Cl)C=C1 SBB010371 [1,1,0,0,0,0|0,0,0]=2 299 B10R1.1 CNCC1=CC=C(F)C=C1 SBB005902 [1,1,0,0,0,0|0,0,0]=2 300 B10R1.1 CNCC1=CC=C(O)C=C1 SBB046545 [1,1,0,0,0,0|0,0,0]=2 301 B10R1.1 FC1=CC=C(CCCl)C=C1 SBB087329 [1,1,0,0,0,0|1,0,0]=3 302 B10R1.1 FC1=CC=C(C[Zn]Cl)C=C1 SBB094275 [1,1,0,0,0,0|2,0,0]=4 303 B10R1.1 N#CCC1=CC=C(Br)C=C1 SBB055164 [1,1,0,0,0,0|0,0,2]=4 304 B10R1.1 N#CCC1=CC=C(Cl)C=C1 SBB004060 [1,1,0,0,0,0|0,0,2]=4 305 B10R1.1 N#CCC1=CC=C(F)C=C1 SBB063691 [1,1,0,0,0,0|0,0,2]=4 306 B10R1.1 N#CCC1=CC=C(N)C=C1 SBB004218 [1,1,0,0,0,0|0,0,2]=4 307 B10R1.1 N#CCC1=CC=C(O)C=C1 SBB063205 [1,1,0,0,0,0|0,0,2]=4 308 B10R1.1 NC1=CC=C(CCO)C=C1 SBB042772 [1,1,0,0,0,0|1,0,0]=3 309 B10R1.1 NCCC1=CC=C(F)C=C1 SBB003787 [1,1,0,0,0,0|0,0,0]=2 310 B10R1.1 NCCC1=CC=C(F)C=C1 SBB058811 [1,1,0,0,0,0|0,0,0]=2 311 B10R1.1 NCCC1=CC=C(O)C=C1 SBB003808 [1,1,0,0,0,0|0,0,0]=2 312 B10R1.1 O=CCC1=CC=C(Br)C=C1 SBB052205 [1,1,0,0,0,0|1,0,1]=4 313 B10R1.1 O=CCC1=CC=C(F)C=C1 SBB052206 [1,1,0,0,0,0|1,0,1]=4 314 B10R1.1 OCCC1=CC=C(Br)C=C1 SBB055082 [1,1,0,0,0,0|1,0,0]=3 315 B10R1.1 OCCC1=CC=C(F)C=C1 SBB086156 [1,1,0,0,0,0|1,0,0]=3 316 B10R1.1 OCCC1=CC=C(O)C=C1 SBB086008 [1,1,0,0,0,0|1,0,0]=3 317 B10R1.4 C=CCC1=CC=CC=C1O SBB044905 [1,1,0,0,0,0|0,0,2]=4 318 B10R1.4 CC1=CC=CC=C1CC#N SBB058333 [1,1,0,0,0,0|0,0,2]=4 319 B10R1.4 CCCC1=CC=CC=C1N SBB085906 [1,1,0,0,0,0|0,0,0]=2 320 B10R1.4 CCCN1C=CC=CC1=O SBB008029 [1,1,0,0,0,0|1,0,0]=3 321 B10R1.4 CCNC1=CC=CC=C1N SBB111820 [1,1,0,0,0,0|1,0,0]=3 322 B10R1.4 CCOC1=C(F)C=CC=C1 SBB086154 [1,1,0,0,0,0|1,0,0]=3 323 B10R1.4 CCOC1=C(N)N=CC=C1 SBB014971 [1,1,0,0,0,0|2,0,0]=4 324 B10R1.4 CCOC1=CC=CC=C1C SBB060978 [1,1,0,0,0,0|1,0,0]=3 325 B10R1.4 CCOC1=CC=CC=C1Cl SBB061024 [1,1,0,0,0,0|1,0,0]=3 326 B10R1.4 CCOC1=CC=CC=C1O SBB060424 [1,1,0,0,0,0|1,0,0]=3 327 B10R1.4 CNCC1=C(Br)C=CC=C1 SBB092552 [1,1,0,0,0,0|0,0,0]=2 328 B10R1.4 CNCC1=CC=CC=C1Cl SBB010370 [1,1,0,0,0,0|0,0,0]=2 329 B10R1.4 CNCC1=CC=CC=C1F SBB086087 [1,1,0,0,0,0|0,0,0]=2 330 B10R1.4 C\C=C\C1=C(O)C=CC=C1 SBB071429 [1,1,0,0,0,0|0,0,2]=4 331 B10R1.4 FC1=C(CCBr)C=CC=C1 SBB018050 [1,1,0,0,0,0|1,0,0]=3 332 B10R1.4 N#CCC1=CC=CC=C1Cl SBB063987 [1,1,0,0,0,0|0,0,2]=4 333 B10R1.4 N#CCC1=CC=CC=C1F SBB063693 [1,1,0,0,0,0|0,0,2]=4 334 B10R1.4 N#CCC1=CC=CC=C1N SBB064661 [1,1,0,0,0,0|0,0,2]=4 335 B10R1.4 NC1=C(OCC)C=CC=C1 SBB006726 [1,1,0,0,0,0|1,0,0]=3 336 B10R1.4 NNCC1=CC=CC=C1Cl SBB010382 [1,1,0,0,0,0|1,0,0]=3 337 B10R1.4 OCCC1=C(F)C=CC=C1 SBB086155 [1,1,0,0,0,0|1,0,0]=3 338 B10R1.10 CC1=CC=CC(CC#N)=C1 SBB068545 [1,1,0,0,0,0|0,0,2]=4 339 B10R1.10 CCOC1=CC(N)=CC=C1 SBB059860 [1,1,0,0,0,0|1,0,0]=3 340 B10R1.10 CCOC1=CC=CC(C)=C1 SBB060989 [1,1,0,0,0,0|1,0,0]=3 341 B10R1.10 CCOC1=CC=CC(O)=C1 SBB005788 [1,1,0,0,0,0|1,0,0]=3 342 B10R1.10 CNCC1=CC(O)=CC=C1 SBB046532 [1,1,0,0,0,0|0,0,0]=2 343 B10R1.10 CNCC1=NC(C)=CC=C1 SBB110044 [1,1,0,0,0,0|1,0,0]=3 344 B10R1.10 FC1=CC=CC(C[Zn]Cl)=C1 SBB094274 [1,1,0,0,0,0|2,0,0]=4 345 B10R1.10 N#CCC1=CC(Br)=CC=C1 SBB006625 [1,1,0,0,0,0|0,0,2]=4 346 B10R1.10 N#CCC1=CC(Cl)=CC=C1 SBB057203 [1,1,0,0,0,0|0,0,2]=4 347 B10R1.10 N#CCC1=CC=CC(F)=C1 SBB063692 [1,1,0,0,0,0|0,0,2]=4 348 B10R1.10 NNCC1=CC(O)=CC=C1 SBB003436 [1,1,0,0,0,0|1,0,0]=3 349 B10R1.10 OCCC1=CC(F)=CC=C1 SBB055447 [1,1,0,0,0,0|1,0,0]=3 350 B10R1.15 BrCC(Br)C1=CC=CC=C1 SBB058656 [1,1,0,0,0,0|1,0,0]=3 351 B10R1.15 C#CC(O)C1=CC=CC=C1 SBB008986 [1,1,0,0,0,0|0,0,2]=4 352 B10R1.15 C(=O)C(C)C1=CC=CC=C1 SBB007693 [1,1,0,0,0,0|1,0,1]=4 353 B10R1.15 CC(CN)C1=CC=CC=C1 SBB028247 [1,1,0,0,0,0|0,0,0]=2 354 B10R1.15 CC(CO)C1=CC=CC=C1 SBB007853 [1,1,0,0,0,0|1,0,0]=3 355 B10R1.15 CCC(=O)C1=CC=CC=C1 SBB058853 [1,1,0,0,0,0|0,0,1]=3 356 B10R1.15 CCC(=O)C1=CC=NC=C1 SBB068976 [1,1,0,0,0,0|1,0,1]=4 357 B10R1.15 CCC(Br)C1=CC=CC=C1 SBB060201 [1,1,0,0,0,0|0,0,0]=2 358 B10R1.15 CCC(C)C1=CC=CC=C1 SBB060615 [1,1,0,0,0,0|0,0,0]=2 359 B10R1.15 CCC(N)C1=CC=CC=C1 SBB029878 [1,1,0,0,0,0|0,0,0]=2 360 B10R1.15 CCC(N)C1=CC=CC=C1 SBB080382 [1,1,0,0,0,0|0,0,0]=2 361 B10R1.15 CCC(O)C1=CC=CC=C1 SBB058750 [1,1,0,0,0,0|0,0,0]=2 362 B10R1.15 CNC(=O)C1=CC=CC=C1 SBB051421 [1,1,0,0,0,0|0,0,1]=3 363 B10R1.15 COC(=N)C1=CC=CC=C1 SBB055305 [1,1,0,0,0,0|1,0,1]=4 364 B10R1.15 COC(=O)C1=CC=CC=C1 SBB058212 [1,1,0,0,0,0|1,0,1]=4 365 B10R1.15 C[C@H](CN)C1=CC=CC=C1 SBB052360 [1,1,0,0,0,0|0,0,0]=2 366 B10R1.15 C\C(=N/N)C1=CC=CC=C1 SBB069878 [1,1,0,0,0,0|1,0,1]=4 367 B10R1.15 ClCC(Cl)C1=CC=CC=C1 SBB007931 [1,1,0,0,0,0|1,0,0]=3 368 B10R1.15 N#CC(Br)C1=CC=CC=C1 SBB061313 [1,1,0,0,0,0|0,0,2]=4 369 B10R1.15 N#CC(N)C1=CC=CC=C1 SBB003872 [1,1,0,0,0,0|0,0,2]=4 370 B10R1.15 NCC(=O)C1=CC=CC=C1 SBB063139 [1,1,0,0,0,0|0,0,1]=3 371 B10R1.15 NCC(=O)C1=CC=CC=C1 SBB066026 [1,1,0,0,0,0|0,0,1]=3 372 B10R1.15 NCC(O)C1=CC=CC=C1 SBB063224 [1,1,0,0,0,0|0,0,0]=2 373 B10R1.15 NNC(=O)C1=CC=CC=C1 SBB040976 [1,1,0,0,0,0|1,0,1]=4 374 B10R1.15 N[C@H](CO)C1=CC=CC=C1 SBB006667 [1,1,0,0,0,0|1,0,0]=3 375 B10R1.15 O=C(CO)C1=CC=CC=C1 SBB085926 [1,1,0,0,0,0|1,0,1]=4 376 B10R1.15 O=C(NO)C1=CC=CC=C1 SBB058405 [1,1,0,0,0,0|1,0,1]=4 377 B10R1.15 OCC(O)C1=CC=CC=C1 SBB063119 [1,1,0,0,0,0|1,0,0]=3 378 B10R1.15 O[C@@H](CCl)C1=CC=CC=C1 SBB064282 [1,1,0,0,0,0|1,0,0]=3 379 B10R1.15 [NH3+]CC(=O)C1=CC=CC=C1 SBB061439 [1,1,0,0,0,0|0,0,2]=4 380 B10R1.18 CC(=O)CC1=CC=NC=C1 SBB055597 [1,1,0,0,0,0|1,0,1]=4 381 B10R1.18 CC(=O)NC1=CC=CC=C1 SBB040833 [1,1,0,0,0,0|1,0,1]=4 382 B10R1.18 CC(=O)OC1=CC=CC=C1 SBB058747 [1,1,0,0,0,0|1,0,1]=4 383 B10R1.18 CC(=S)NC1=CC=CC=C1 SBB086797 [1,1,0,0,0,0|1,0,1]=4 384 B10R1.18 CC(C)NC1=CC=CC=C1 SBB007921 [1,1,0,0,0,0|1,0,0]=3 385 B10R1.18 CC(N)CC1=CC=CC=N1 SBB025629 [1,1,0,0,0,0|1,0,0]=3 386 B10R1.18 CC(N)CC1=CN=CC=N1 SBB025636 [1,1,0,0,0,0|2,0,0]=4 387 B10R1.18 CN(C)CC1=CC=CC=C1 SBB060233 [1,1,0,0,0,0|0,0,0]=2 388 B10R1.18 C\[N+]([O-])=C/C1=CC=CC=C1 SBB085895 [1,1,0,0,0,0|0,0,2]=4 389 B10R1.18 FC(F)OC1=CC=CC=C1 SBB070688 [1,1,0,0,0,0|2,0,0]=4 390 B10R1.18 N=C(N)CC1=CC=CC=N1 SBB019209 [1,1,0,0,0,0|1,0,1]=4 391 B10R1.18 N=C(N)CC1=CC=CN=C1 SBB019447 [1,1,0,0,0,0|1,0,1]=4 392 B10R1.18 NC(=O)CC1=CC=CC=C1 SBB017634 [1,1,0,0,0,0|0,0,1]=3 393 B10R1.18 NC(=O)NC1=CC=CC=C1 SBB058197 [1,1,0,0,0,0|1,0,1]=4 394 B10R1.18 NC(=S)CC1=CC=CC=C1 SBB016517 [1,1,0,0,0,0|0,0,1]=3 395 B10R1.18 NC(=S)NC1=CC=CC=C1 SBB036022 [1,1,0,0,0,0|1,0,1]=4 396 B10R1.18 NC(N)=NC1=CC=CC=C1 SBB055106 [1,1,0,0,0,0|1,0,1]=4 397 B10R1.18 O=C(Cl)CC1=CC=CC=C1 SBB040622 [1,1,0,0,0,0|1,0,1]=4 398 B10R1.18 OB(O)CC1=CC=CC=C1 SBB052526 [1,1,0,0,0,0|2,0,0]=4 399 B10R1.11 CCCC(N)C1=CC=CS1 SBB048342 [0,1,0,0,1,0|2,0,0]=4 400 B10R1.21 CNCCCC1=CC=CO1 SBB301605 [0,1,0,0,1,0|1,0,0]=3 401 B10R1.29 CNCCN1C=CN=C1C SBB303121 [0,1,0,0,1,0|2,0,0]=4 402 B10R1.66 CC(N)CCC1=CC=CO1 SBB007120 [0,1,0,0,1,0|2,0,0]=4 403 B12R1.1 CC#CCNC1=CC=C(C)C=C1 SBB010418 [0,2,0,0,0,0|1,0,1]=4 404 B12R1.1 CC1=CC=C(OCCCN)C=C1 SBB085497 [0,2,0,0,0,0|2,0,0]=4 405 B12R1.1 CCCCCC1=CC=C(N)C=C1 SBB008338 [0,2,0,0,0,0|1,0,0]=3 406 B12R1.1 CCCCCC1=CC=C(O)C=C1 SBB059154 [0,2,0,0,0,0|1,0,0]=3 407 B12R1.1 CCCCOC1=CC=C(Br)C=C1 SBB008359 [0,2,0,0,0,0|1,0,0]=3 408 B12R1.1 CCCCOC1=CC=C(C)C=C1 SBB008351 [0,2,0,0,0,0|1,0,0]=3 409 B12R1.1 CCCCOC1=CC=C(Cl)C=C1 SBB061312 [0,2,0,0,0,0|1,0,0]=3 410 B12R1.1 CCCCOC1=CC=C(N)C=C1 SBB008295 [0,2,0,0,0,0|1,0,0]=3 411 B12R1.1 CCCCOC1=CC=C(O)C=C1 SBB058865 [0,2,0,0,0,0|1,0,0]=3 412 B12R1.1 CCCCSC1=CC=C(N)C=C1 SBB072787 [0,2,0,0,0,0|1,0,0]=3 413 B12R1.1 CCNCCC1=CC=C(C)C=C1 SBB052427 [0,2,0,0,0,0|0,0,0]=2 414 B12R1.1 CNCCOC1=CC=C(C)C=C1 SBB010460 [0,2,0,0,0,0|0,0,0]=2 415 B12R1.1 CNCCOC1=CC=C(F)C=C1 SBB085381 [0,2,0,0,0,0|0,0,0]=2 416 B12R1.1 ClC1=CC=C(OCCCBr)C=C1 SBB018282 [0,2,0,0,0,0|2,0,0]=4 417 B12R1.1 FC1=CC=C(OCCCCl)C=C1 SBB003674 [0,2,0,0,0,0|2,0,0]=4 418 B12R1.1 N#CCCOC1=CC=C(Cl)C=C1 SBB089837 [0,2,0,0,0,0|2,0,0]=4 419 B12R1.1 N#CCCSC1=CC=C(Cl)C=C1 SBB092222 [0,2,0,0,0,0|2,0,0]=4 420 B12R1.1 NCCCOC1=CC=C(Cl)C=C1 SBB010729 [0,2,0,0,0,0|2,0,0]=4 421 B12R1.1 NCCOCC1=CC=C(Cl)C=C1 SBB071568 [0,2,0,0,0,0|2,0,0]=4 422 B12R1.1 OCCNCC1=CC=C(F)C=C1 SBB080484 [0,2,0,0,0,0|2,0,0]=4 423 B12R1.16 CCCC(=O)C1=CC=C(Br)C=C1 SBB065069 [0,2,0,0,0,0|1,0,1]=4 424 B12R1.16 CCCC(=O)C1=CC=C(C)C=C1 SBB017369 [0,2,0,0,0,0|1,0,1]=4 425 B12R1.16 CCCC(=O)C1=CC=C(F)C=C1 SBB088007 [0,2,0,0,0,0|1,0,1]=4 426 B12R1.16 CCCC(=O)C1=CC=C(N)C=C1 SBB017672 [0,2,0,0,0,0|1,0,1]=4 427 B12R1.16 CCCC(=O)C1=CC=C(O)C=C1 SBB001584 [0,2,0,0,0,0|1,0,1]=4 428 B12R1.16 CNCC(=O)C1=CC=C(O)C=C1 SBB013970 [0,2,0,0,0,0|0,0,1]=3 429 B12R1.16 CNCC(O)C1=CC=C(O)C=C1 SBB063601 [0,2,0,0,0,0|0,0,0]=2 430 B12R1.21 C=C(C)COC1=CC=C(N)C=C1 SBB080146 [0,2,0,0,0,0|2,0,0]=4 431 B12R1.21 CC(=O)CCC1=CC=C(O)C=C1 SBB056768 [0,2,0,0,0,0|1,0,0]=3 432 B12R1.21 CC(=O)COC1=CC=C(Cl)C=C1 SBB072870 [0,2,0,0,0,0|2,0,0]=4 433 B12R1.21 CC(=O)CSC1=CC=C(C)C=C1 SBB089710 [0,2,0,0,0,0|2,0,0]=4 434 B12R1.21 CC(=O)CSC1=CC=C(Cl)C=C1 SBB057983 [0,2,0,0,0,0|2,0,0]=4 435 B12R1.21 CC(=O)CSC1=CC=C(F)C=C1 SBB090182 [0,2,0,0,0,0|2,0,0]=4 436 B12R1.21 CC(=O)NCC1=CC=C(F)C=C1 SBB055227 [0,2,0,0,0,0|2,0,0]=4 437 B12R1.21 CC(=O)OCC1=CC=C(C)C=C1 SBB116862 [0,2,0,0,0,0|2,0,0]=4 438 B12R1.21 CC(C)COC1=CC=C(N)C=C1 SBB079898 [0,2,0,0,0,0|2,0,0]=4 439 B12R1.21 CC(C)NCC1=CC=C(F)C=C1 SBB109028 [0,2,0,0,0,0|2,0,0]=4 440 B12R1.21 CC(N)CCC1=CC=C(Cl)C=C1 SBB010707 [0,2,0,0,0,0|1,0,0]=3 441 B12R1.21 CC(N)CCC1=CC=C(F)C=C1 SBB010486 [0,2,0,0,0,0|1,0,0]=3 442 B12R1.21 CC(N)COC1=CC=C(Cl)C=C1 SBB010732 [0,2,0,0,0,0|2,0,0]=4 443 B12R1.21 CC1=CC=C(CCC(=O)O)C=C1 SBB016295 [0,2,0,0,0,0|2,0,0]=4 444 B12R1.21 CN(C)\N=C\C1=CC=C(Cl)C=C1 SBB089967 [0,2,0,0,0,0|1,0,1]=4 445 B12R1.21 NC1=CC=C(CCC(=O)O)C=C1 SBB010089 [0,2,0,0,0,0|2,0,0]=4 446 B12R1.21 O=C(O)CCC1=CC=C(Br)C=C1 SBB017617 [0,2,0,0,0,0|2,0,0]=4 447 B12R1.21 O=C(O)CCC1=CC=C(Cl)C=C1 SBB010179 [0,2,0,0,0,0|2,0,0]=4 448 B12R1.21 O=C(O)CCC1=CC=C(F)C=C1 SBB017621 [0,2,0,0,0,0|2,0,0]=4 449 B12R1.21 O=C(O)CCC1=CC=C(I)C=C1 SBB052832 [0,2,0,0,0,0|2,0,0]=4 450 B12R1.21 O=C(O)CCC1=CC=C(O)C=C1 SBB064098 [0,2,0,0,0,0|2,0,0]=4 451 B12R1.49 CNC(=O)CC1=CC=C(N)C=C1 SBB080431 [0,2,0,0,0,0|0,0,1]=3 452 B12R1.49 CNC(=S)NC1=CC=C(Br)C=C1 SBB006316 [0,2,0,0,0,0|1,0,1]=4 453 B12R1.49 CNC(=S)NC1=CC=C(C)C=C1 SBB003745 [0,2,0,0,0,0|1,0,1]=4 454 B12R1.49 CNC(=S)NC1=CC=C(Cl)C=C1 SBB003535 [0,2,0,0,0,0|1,0,1]=4 455 B12R1.49 CNC(=S)NC1=CC=C(F)C=C1 SBB000243 [0,2,0,0,0,0|1,0,1]=4 456 B12R1.49 CNC(=S)NC1=CC=C(I)C=C1 SBB001194 [0,2,0,0,0,0|1,0,1]=4 457 B12R1.49 COC(=O)CC1=CC=C(F)C=C1 SBB017032 [0,2,0,0,0,0|1,0,1]=4 458 B12R1.49 COC(=O)CC1=CC=C(N)C=C1 SBB059052 [0,2,0,0,0,0|1,0,1]=4 459 B12R1.49 NNC(=O)CC1=CC=C(Cl)C=C1 SBB021009 [0,2,0,0,0,0|1,0,1]=4 460 B12R1.69 CCCOC1=C(F)C=C(Br)C=C1 SBB098048 [0,2,0,0,0,0|2,0,0]=4 461 B12R1.71 C(=O)C1=CC=C(OCCC)C=C1 SBB008225 [0,2,0,0,0,0|2,0,0]=4 462 B12R1.71 CCCCC1=CC=C(C#N)C=C1 SBB059146 [0,2,0,0,0,0|1,0,0]=3 463 B12R1.71 CCCCC1=CC=C(C=O)C=C1 SBB059137 [0,2,0,0,0,0|1,0,0]=3 464 B12R1.71 CCCCC1=CC=C(CN)C=C1 SBB059362 [0,2,0,0,0,0|1,0,0]=3 465 B12R1.71 CCCOC1=CC=C(C#N)C=C1 SBB059141 [0,2,0,0,0,0|2,0,0]=4 466 B12R1.71 CCCOC1=CC=C(CN)C=C1 SBB048897 [0,2,0,0,0,0|2,0,0]=4 467 B12R1.71 COC1=CC=C(CCC#N)C=C1 SBB017671 [0,2,0,0,0,0|2,0,0]=4 468 B12R1.71 COC1=CC=C(CCCN)C=C1 SBB010459 [0,2,0,0,0,0|2,0,0]=4 469 B12R1.385 CCCCC1=CC=C(N)C(C)=C1 SBB087730 [0,2,0,0,0,0|1,0,0]=3 470 B12R1.3 CCCC(C#N)C1=CC=CC=C1 SBB007788 [0,2,0,0,0,0|1,0,0]=3 471 B12R1.3 CCCC(CC)C1=CC=CC=C1 SBB061240 [0,2,0,0,0,0|1,0,0]=3 472 B12R1.3 CCCC(CN)C1=CC=CC=C1 SBB073169 [0,2,0,0,0,0|1,0,0]=3 473 B12R1.3 N#CCC(C#N)C1=CC=CC=C1 SBB008064 [0,2,0,0,0,0|2,0,0]=4 474 B12R1.17 CNCC(O)C1=CC(O)=CC=C1 SBB000429 [0,2,0,0,0,0|0,0,0]=2 475 B12R1.17 CNC[C@@H](O)C1=CC(O)=CC=C1 SBB064156 [0,2,0,0,0,0|0,0,0]=2 476 B12R1.30 C#CCNC(C)C1=CC=CC=C1 SBB010417 [0,2,0,0,0,0|1,0,1]=4 477 B12R1.30 CCCCC(=O)C1=CC=CC=C1 SBB064862 [0,2,0,0,0,0|1,0,0]=3 478 B12R1.30 CCCCC(O)C1=CC=CC=C1 SBB063387 [0,2,0,0,0,0|1,0,0]=3 479 B12R1.30 CCCNC(=O)C1=CC=CC=C1 SBB058554 [0,2,0,0,0,0|1,0,1]=4 480 B12R1.30 CCCNC(C)C1=CC=CC=C1 SBB005747 [0,2,0,0,0,0|1,0,0]=3 481 B12R1.30 CCCOC(=O)C1=CC=CC=C1 SBB061241 [0,2,0,0,0,0|1,0,1]=4 482 B12R1.30 CN(CCCN)C1=CC=CC=C1 SBB051731 [0,2,0,0,0,0|2,0,0]=4 483 B12R1.30 CNCCC(O)C1=CC=CC=C1 SBB063260 [0,2,0,0,0,0|0,0,0]=2 484 B12R1.30 N#CCCC(=O)C1=CC=CC=C1 SBB087363 [0,2,0,0,0,0|2,0,0]=4 485 B12R1.30 OCCN[C@H](C)C1=CC=CC=C1 SBB010055 [0,2,0,0,0,0|2,0,0]=4 486 B12R1.34 COC(=O)C(Br)C1=CC=CC=C1 SBB053707 [0,2,0,0,0,0|1,0,1]=4 487 B12R1.34 COC(=O)C(Cl)C1=CC=CC=C1 SBB007734 [0,2,0,0,0,0|1,0,1]=4 488 B12R1.34 COC(=O)C(N)C1=CC=CC=C1 SBB017485 [0,2,0,0,0,0|1,0,1]=4 489 B12R1.34 COC(=O)C(O)C1=CC=CC=C1 SBB051444 [0,2,0,0,0,0|1,0,1]=4 490 B12R1.34 NNC(=O)C(O)C1=CC=CC=C1 SBB007729 [0,2,0,0,0,0|1,0,1]=4 491 B12R1.34 N[C@H](CO)[C@H](O)C1=CC=CC=C1 SBB063242 [0,2,0,0,0,0|2,0,0]=4 492 B12R1.34 [C@@H](N)(C(=O)OC)C1=CC=CC=C1 SBB057682 [0,2,0,0,0,0|1,0,1]=4 493 B12R1.39 CSCS(=O)(=O)C1=CC=CC=C1 SBB057692 [0,2,0,0,0,0|2,0,0]=4 494 B12R1.107 CC(=O)CC(=O)C1=CC=CC=C1 SBB040798 [0,2,0,0,0,0|1,0,1]=4 495 B12R1.107 CC(=O)NC(C)C1=CC=CC=C1 SBB058063 [0,2,0,0,0,0|2,0,0]=4 496 B12R1.107 C[S+](C)CC(=O)C1=CC=CC=C1 SBB063237 [0,2,0,0,0,0|1,0,1]=4 497 B12R1.107 N(C(C)C)[C@H](C)C1=CC=CC=C1 SBB059587 [0,2,0,0,0,0|2,0,0]=4 498 B12R1.107 NC(CC(=O)O)C1=CC=CC=C1 SBB001851 [0,2,0,0,0,0|2,0,0]=4 499 B12R1.107 O=C(O)CC(Br)C1=CC=CC=C1 SBB008428 [0,2,0,0,0,0|2,0,0]=4 500 B12R1.107 O=C(O)CC(O)C1=CC=CC=C1 SBB063579 [0,2,0,0,0,0|2,0,0]=4 501 B12R1.107 O=[N+]([O-])CC(O)C1=CC=CC=C1 SBB001885 [0,2,0,0,0,0|1,0,1]=4 502 B12R1.308 NC(CCO)C1=CC=CC=C1Cl SBB301633 [0,2,0,0,0,0|2,0,0]=4 503 B12R1.121 CCCOC1=CC=CC=C1C=O SBB001592 [0,2,0,0,0,0|2,0,0]=4 504 B12R1.121 COC1=C(CCCBr)C=CC=C1 SBB302485 [0,2,0,0,0,0|2,0,0]=4 505 B12R1.125 C=C(C)COC1=CC=CC=C1N SBB080151 [0,2,0,0,0,0|2,0,0]=4 506 B12R1.125 CC(=O)NCC1=C(Br)C=CC=C1 SBB079113 [0,2,0,0,0,0|2,0,0]=4 507 B12R1.125 CC(C)COC1=C(N)C=CC=C1 SBB080113 [0,2,0,0,0,0|2,0,0]=4 508 B12R1.125 CC(C)NCC1=C(F)C=CC=C1 SBB109026 [0,2,0,0,0,0|2,0,0]=4 509 B12R1.125 CC1=CC=CC=C1CCC(=O)O SBB067749 [0,2,0,0,0,0|2,0,0]=4 510 B12R1.125 O=C(O)CCC1=CC=CC=C1Br SBB064066 [0,2,0,0,0,0|2,0,0]=4 511 B12R1.125 O=C(O)CCC1=CC=CC=C1Cl SBB069087 [0,2,0,0,0,0|2,0,0]=4 512 B12R1.125 O=C(O)CCC1=CC=CC=C1F SBB010203 [0,2,0,0,0,0|2,0,0]=4 513 B12R1.125 O=C(O)CCC1=CC=CC=C1O SBB063739 [0,2,0,0,0,0|2,0,0]=4 514 B12R1.267 C=CCNCC1=C(F)C=CC=C1 SBB010457 [0,2,0,0,0,0|1,0,1]=4 515 B12R1.267 CCCCOC1=C(N)C=CC=C1 SBB001578 [0,2,0,0,0,0|1,0,0]=3 516 B12R1.267 CNCCOC1=C(C)C=CC=C1 SBB080543 [0,2,0,0,0,0|0,0,0]=2 517 B12R1.267 CNCCOC1=C(F)C=CC=C1 SBB085380 [0,2,0,0,0,0|0,0,0]=2 518 B12R1.267 COCCOC1=C(N)C=CC=C1 SBB085487 [0,2,0,0,0,0|1,0,0]=3 519 B12R1.267 FC1=C(OCCCBr)C=CC=C1 SBB302486 [0,2,0,0,0,0|2,0,0]=4 520 B12R1.267 NCCCOC1=C(F)C=CC=C1 SBB085447 [0,2,0,0,0,0|2,0,0]=4 521 B12R1.267 NCCOCC1=CC=CC=C1Cl SBB005406 [0,2,0,0,0,0|2,0,0]=4 522 B12R1.267 NCCSCC1=C(F)C=CC=C1 SBB010724 [0,2,0,0,0,0|2,0,0]=4 523 B12R1.267 NCCSCC1=CC=CC=C1Cl SBB076799 [0,2,0,0,0,0|2,0,0]=4 524 B12R1.267 OCCNCC1=C(Cl)C=CC=C1 SBB010731 [0,2,0,0,0,0|2,0,0]=4 525 B12R1.374 COCOC1=C(F)C=CC(F)=C1 SBB088869 [0,2,0,0,0,0|2,0,0]=4 526 B12R1.28 CC1=CC(OCCCN)=CC=C1 SBB085451 [0,2,0,0,0,0|2,0,0]=4 527 B12R1.28 CCCCCC1=CC=CC(=O)O1 SBB008445 [0,2,0,0,0,0|2,0,0]=4 528 B12R1.28 OCCNCC1=CC=CC(Cl)=C1 SBB111087 [0,2,0,0,0,0|2,0,0]=4 529 B12R1.50 CNC(C)CC1=CC(C)=CC=N1 SBB025633 [0,2,0,0,0,0|1,0,0]=3 530 B12R1.50 NNC(=O)CC1=CC(Cl)=CC=C1 SBB055220 [0,2,0,0,0,0|1,0,1]=4 531 B12R1.226 C=C(C)COC1=CC(N)=CC=C1 SBB080148 [0,2,0,0,0,0|2,0,0]=4 532 B12R1.226 CC(=O)CCC1=CC(Br)=CC=C1 SBB055142 [0,2,0,0,0,0|1,0,0]=3 533 B12R1.226 CC(C)COC1=CC(N)=CC=C1 SBB027489 [0,2,0,0,0,0|2,0,0]=4 534 B12R1.226 CC(C)NCC1=CC(F)=CC=C1 SBB109027 [0,2,0,0,0,0|2,0,0]=4 535 B12R1.226 CC1=CC=CC(CCC(=O)O)=C1 SBB067747 [0,2,0,0,0,0|2,0,0]=4 536 B12R1.226 NC1=CC=CC(CCC(=O)O)=C1 SBB028355 [0,2,0,0,0,0|2,0,0]=4 537 B12R1.226 O=C(O)CCC1=CC(F)=CC=C1 SBB010231 [0,2,0,0,0,0|2,0,0]=4 538 B12R1.226 O=C(O)CCC1=CC(O)=CC=C1 SBB057915 [0,2,0,0,0,0|2,0,0]=4 539 B12R1.226 O=C(O)CCC1=CC=CC(Br)=C1 SBB063235 [0,2,0,0,0,0|2,0,0]=4 540 B12R1.226 O=C(O)CCC1=CC=CC(Cl)=C1 SBB005906 [0,2,0,0,0,0|2,0,0]=4 541 B12R1.382 CCCOC1=CC(C=O)=CC=C1 SBB009935 [0,2,0,0,0,0|2,0,0]=4 542 B12R1.382 COC1=CC=CC(CCCN)=C1 SBB010466 [0,2,0,0,0,0|2,0,0]=4 543 B12R1.8 BrCCCOCC1=CC=CC=C1 SBB055279 [0,2,0,0,0,0|1,0,0]=3 544 B12R1.8 CC#CCNCC1=CC=CC=C1 SBB300108 [0,2,0,0,0,0|1,0,0]=3 545 B12R1.8 CCCCCOC1=CC=CC=C1 SBB060062 [0,2,0,0,0,0|1,0,0]=3 546 B12R1.8 CCCCOCC1=CC=CC=C1 SBB061154 [0,2,0,0,0,0|1,0,0]=3 547 B12R1.8 N#CCCNCC1=CC=CC=C1 SBB056785 [0,2,0,0,0,0|1,0,1]=4 548 B12R1.8 N#CCCNCC1=CC=CC=C1 SBB080384 [0,2,0,0,0,0|1,0,1]=4 549 B12R1.8 N#CCCOCC1=CC=CC=C1 SBB072745 [0,2,0,0,0,0|1,0,1]=4 550 B12R1.8 N(CCCC)CC1=CC=CC=C1 SBB006552 [0,2,0,0,0,0|1,0,0]=3 551 B12R1.8 NCCCNCC1=CC=CC=C1 SBB015090 [0,2,0,0,0,0|1,0,0]=3 552 B12R1.8 NCCCOCC1=CC=CC=C1 SBB072321 [0,2,0,0,0,0|1,0,0]=3 553 B12R1.8 OCCCNCC1=CC=CC=C1 SBB055297 [0,2,0,0,0,0|1,0,0]=3 554 B12R1.8 OCCNCCC1=CC=NC=C1 SBB027979 [0,2,0,0,0,0|1,0,0]=3 555 B12R1.8 OCCSCCC1=CC=NC=C1 SBB049073 [0,2,0,0,0,0|2,0,0]=4 556 B12R1.27 CC(CO)NCC1=CC=CC=C1 SBB010465 [0,2,0,0,0,0|2,0,0]=4 557 B12R1.27 CCC(=O)OCC1=CC=CC=C1 SBB061239 [0,2,0,0,0,0|1,0,1]=4 558 B12R1.27 CCC(O)C#CC1=CC=CC=C1 SBB008984 [0,2,0,0,0,0|1,0,1]=4 559 B12R1.27 CNC(=S)NCC1=CC=CC=C1 SBB017711 [0,2,0,0,0,0|0,0,1]=3 560 B12R1.27 COC(=O)CCC1=CN=CC=C1 SBB071440 [0,2,0,0,0,0|2,0,0]=4 561 B12R1.27 COC(=O)CSC1=CC=CC=C1 SBB089934 [0,2,0,0,0,0|1,0,1]=4 562 B12R1.27 COC(=O)NCC1=CC=CC=C1 SBB080563 [0,2,0,0,0,0|1,0,1]=4 563 B12R1.27 NCC(=O)OCC1=CC=CC=C1 SBB063677 [0,2,0,0,0,0|2,0,0]=4 564 B12R1.27 NNC(=O)CCC1=CC=CC=C1 SBB000151 [0,2,0,0,0,0|1,0,0]=3 565 B12R1.27 NNC(=O)CNC1=CC=CC=C1 SBB019864 [0,2,0,0,0,0|1,0,1]=4 566 B12R1.27 NNC(=O)COC1=CC=CC=C1 SBB017408 [0,2,0,0,0,0|1,0,1]=4 567 B12R1.27 NNC(=O)CSC1=CC=CC=C1 SBB072377 [0,2,0,0,0,0|1,0,1]=4 568 B12R1.27 NNC(=O)OCC1=CC=CC=C1 SBB063031 [0,2,0,0,0,0|1,0,1]=4 569 B12R1.27 NNC(=S)NCC1=CC=CC=C1 SBB038438 [0,2,0,0,0,0|1,0,1]=4 570 B12R1.27 O=C(CBr)NCC1=CC=CC=C1 SBB080035 [0,2,0,0,0,0|2,0,0]=4 571 B12R1.27 O=C(CBr)OCC1=CC=CC=C1 SBB006752 [0,2,0,0,0,0|2,0,0]=4 572 B12R1.27 O=C(CCl)NCC1=CC=CC=C1 SBB038576 [0,2,0,0,0,0|2,0,0]=4 573 B12R1.27 O=C(CCl)OCC1=CC=CC=C1 SBB064876 [0,2,0,0,0,0|2,0,0]=4 574 B12R1.27 O=C(CS)OCC1=CC=CC=C1 SBB057444 [0,2,0,0,0,0|2,0,0]=4 575 B12R1.27 OC(CCl)COC1=CC=CC=C1 SBB061224 [0,2,0,0,0,0|2,0,0]=4 576 B12R1.27 OC(COC1=CC=CC=C1)CN SBB010049 [0,2,0,0,0,0|2,0,0]=4 577 B12R1.27 OC[C@H](O)COC1=CC=CC=C1 SBB088177 [0,2,0,0,0,0|2,0,0]=4 578 B12R1.32 C#CCN(C)CC1=CC=CC=C1 SBB037855 [0,2,0,0,0,0|1,0,1]=4 579 B12R1.32 CCNC(=O)NC1=CC=CC=C1 SBB008390 [0,2,0,0,0,0|1,0,1]=4 580 B12R1.252 CC(=O)CCCC1=CC=CC=N1 SBB018700 [0,2,0,0,0,0|2,0,0]=4 581 B12R1.252 CC(=O)CSCC1=CC=CC=C1 SBB058580 [0,2,0,0,0,0|1,0,0]=3 582 B12R1.252 CC(=O)NCCC1=CC=CC=C1 SBB058213 [0,2,0,0,0,0|0,0,0]=2 583 B12R1.252 CC(=O)OCCC1=CC=CC=C1 SBB061194 [0,2,0,0,0,0|1,0,0]=3 584 B12R1.252 CC(C)NCCC1=CC=CC=C1 SBB080102 [0,2,0,0,0,0|0,0,0]=2 585 B12R1.252 CC(N)CCCC1=CC=CC=C1 SBB010444 [0,2,0,0,0,0|1,0,0]=3 586 B12R1.252 FC(F)CNCC1=CC=CC=C1 SBB046667 [0,2,0,0,0,0|2,0,0]=4 587 B12R1.252 N=C(N)NCCC1=CC=CC=C1 SBB102430 [0,2,0,0,0,0|0,0,1]=3 588 B12R1.252 NC(=O)CCCC1=CC=CC=C1 SBB051450 [0,2,0,0,0,0|1,0,1]=4 589 B12R1.252 NC(=S)NCCC1=CC=CC=C1 SBB017394 [0,2,0,0,0,0|0,0,1]=3 590 B12R1.252 O=C(Cl)CCCC1=CC=CC=C1 SBB040702 [0,2,0,0,0,0|1,0,1]=4 591 B12R1.252 O=C(Cl)COCC1=CC=CC=C1 SBB063195 [0,2,0,0,0,0|2,0,0]=4 592 B12R1.252 O=C(O)CCCC1=CC=CC=C1 SBB008452 [0,2,0,0,0,0|1,0,1]=4 593 B12R1.252 O=C(O)CCSC1=CC=CC=C1 SBB049906 [0,2,0,0,0,0|2,0,0]=4 594 B12R1.252 O=C(O)CNCC1=CC=CC=C1 SBB003529 [0,2,0,0,0,0|2,0,0]=4 595 B12R1.252 O=C(O)CNCC1=CC=CC=C1 SBB063075 [0,2,0,0,0,0|2,0,0]=4 596 B12R1.252 O=C(O)COCC1=CC=CC=C1 SBB048109 [0,2,0,0,0,0|2,0,0]=4 597 B12R1.252 O=C(O)CSCC1=CC=CC=C1 SBB042552 [0,2,0,0,0,0|2,0,0]=4 598 B12R1.252 OC(=O)CCOC1=CC=CC=C1 SBB003895 [0,2,0,0,0,0|2,0,0]=4 599 B12R1.43 CC(=O)C(N)CC1=CC=CC=C1 SBB014560 [0,2,0,0,0,0|1,0,0]=3 600 B12R1.43 CN(C)C(=O)NC1=CC=CC=C1 SBB058215 [0,2,0,0,0,0|1,0,1]=4 601 B12R1.43 NC(=O)[C@@H](N)CC1=CC=CC=C1 SBB027287 [0,2,0,0,0,0|2,0,0]=4 602 B12R1.43 NC(CC1=CC=CC=C1)C(=O)O SBB058700 [0,2,0,0,0,0|2,0,0]=4 603 B12R1.43 O=C(O)C(O)CC1=CC=CC=C1 SBB012365 [0,2,0,0,0,0|2,0,0]=4 604 B12R1.194 C#CC(C)(O)CC1=CC=CC=C1 SBB002525 [0,2,0,0,0,0|1,0,1]=4 605 B12R1.194 CNC(C)(C)CC1=CC=CC=C1 SBB015072 [0,2,0,0,0,0|0,0,0]=2 606 B12R1.194 NNS(=O)(=O)CC1=CC=CC=C1 SBB072378 [0,2,0,0,0,0|2,0,0]=4 607 B12R1.891 CC(C)(C)NCC1=CC=CC=C1 SBB072754 [0,2,0,0,0,0|2,0,0]=4 608 B12R1.891 O=P(O)(O)CCC1=CC=CC=C1 SBB057482 [0,2,0,0,0,0|1,1,0]=4 609 B12R1.891 O=S(=O)(Cl)CCC1=CC=CC=C1 SBB018064 [0,2,0,0,0,0|2,0,0]=4 610 B10R2.7 C1=CC2=C(C=C1)CCC2 SBB060083 [1,0,0,1,0,0|0,0,0]=2 611 B10R2.7 C1=CC2=C(C=C1)NN=N2 SBB060070 [1,0,0,1,0,0|2,0,0]=4 612 B10R2.7 C1=CC2=C(C=C1)OCO2 SBB059641 [1,0,0,1,0,0|2,0,0]=4 613 B10R2.7 C1=CC=C2CC=CC2=C1 SBB040862 [1,0,0,1,0,0|0,0,2]=4 614 B10R2.7 C1=CC=C2COCC2=C1 SBB068697 [1,0,0,1,0,0|1,0,0]=3 615 B10R2.7 C1=CC=C2NC=CC2=C1 SBB055980 [1,0,0,1,0,0|0,0,2]=4 616 B10R2.7 C1=CC=C2NN=CC2=C1 SBB040063 [1,0,0,1,0,0|1,0,1]=4 617 B10R2.7 C1=CC=C2OCCC2=C1 SBB056038 [1,0,0,1,0,0|1,0,0]=3 618 B10R2.7 C1=CC=C2SCNC2=C1 SBB017116 [1,0,0,1,0,0|1,0,0]=3 619 B10R2.7 N1C=NC2=C1C=CC=C2 SBB004294 [1,0,0,1,0,0|1,0,1]=4 620 B10R2.7 N1CCC2=C1C=CC=C2 SBB004291 [1,0,0,1,0,0|0,0,0]=2 621 B12R2.24 BrC1=CC=C2NCCCC2=C1 SBB013968 [0,1,0,1,0,0|2,0,0]=4 622 B12R2.24 CC1=CC2=C(C=C1)NCCC2 SBB027083 [0,1,0,1,0,0|2,0,0]=4 623 B12R2.24 CC1CCC2=CC=CC=C2N1 SBB039108 [0,1,0,1,0,0|1,0,0]=3 624 B12R2.24 CC1CNC2=C(C=CC=C2)S1 SBB048277 [0,1,0,1,0,0|2,0,0]=4 625 B12R2.24 CC1CNC2=CC=CC=C2O1 SBB080829 [0,1,0,1,0,0|2,0,0]=4 626 B12R2.24 ClC1=CC2=C(C=C1)CCCC2 SBB060946 [0,1,0,1,0,0|1,0,0]=3 627 B12R2.24 NC1=CC2=C(C=C1)CCCC2 SBB013463 [0,1,0,1,0,0|1,0,0]=3 628 B12R2.24 NC1=CC2=C(C=C1)OCOC2 SBB006754 [0,1,0,1,0,0|2,0,0]=4 629 B12R2.24 NC1CCC2=C(C=CC=C2)C1 SBB072624 [0,1,0,1,0,0|1,0,0]=3 630 B12R2.24 O=C1CC2=C(C=CC=C2)CO1 SBB068599 [0,1,0,1,0,0|1,0,1]=4 631 B12R2.24 O=C1CCC2=C(C=CC=C2)O1 SBB058834 [0,1,0,1,0,0|2,0,0]=4 632 B12R2.24 O=C1CCC2=CC=CC=C2N1 SBB056014 [0,1,0,1,0,0|2,0,0]=4 633 B12R2.24 OC1CCC2=C(C=CC=C2)C1 SBB008511 [0,1,0,1,0,0|1,0,0]=3 634 B12R2.132 CC1=CC2=C(C=C1)CCC2=O SBB069423 [0,1,0,1,0,0|2,0,0]=4 635 B12R2.132 CN1C=NC2=CC=C(N)C=C21 SBB071966 [0,1,0,1,0,0|1,0,1]=4 636 B12R2.132 NC1=CC2=C(C=C1)CCC2=O SBB066648 [0,1,0,1,0,0|2,0,0]=4 637 B12R2.132 O=C1CCC2=C1C=C(Br)C=C2 SBB067175 [0,1,0,1,0,0|2,0,0]=4 638 B12R2.132 O=C1CCC2=CC=C(F)C=C12 SBB056321 [0,1,0,1,0,0|2,0,0]=4 639 B12R2.2302 FC1=CC=C(C2CCN2)C=C1 SBB027127 [0,1,0,1,0,0|2,0,0]=4 640 B12R2.2 C1=CC(N2CCCC2)=CC=N1 SBB004083 [0,1,0,1,0,0|2,0,0]=4 641 B12R2.2 C1=CC=C(C2CCCC2)C=C1 SBB060080 [0,1,0,1,0,0|1,0,0]=3 642 B12R2.2 C1=CC=C(C2CCCN2)C=C1 SBB056158 [0,1,0,1,0,0|1,0,0]=3 643 B12R2.2 C1=CC=C(C2CCNC2)C=C1 SBB010168 [0,1,0,1,0,0|0,0,0]=2 644 B12R2.2 C1=CC=C(C2NCCS2)C=C1 SBB087945 [0,1,0,1,0,0|2,0,0]=4 645 B12R2.2 C1=CC=C(C2OCCO2)C=C1 SBB058599 [0,1,0,1,0,0|2,0,0]=4 646 B12R2.2 C1=CC=C(C2OCCS2)C=C1 SBB056712 [0,1,0,1,0,0|2,0,0]=4 647 B12R2.2 C1=CN=C(C2CCCN2)C=C1 SBB050916 [0,1,0,1,0,0|2,0,0]=4 648 B12R2.27 OCC1CC1C2=CC=CC=C2 SBB084422 [0,1,0,1,0,0|1,0,0]=3 649 B12R2.1081 CC1=CC=CC2=C1NCCC2 SBB021213 [0,1,0,1,0,0|2,0,0]=4 650 B12R2.1081 NC1=C2CCCCC2=CC=C1 SBB004091 [0,1,0,1,0,0|1,0,0]=3 651 B12R2.1081 NC1=C2NCCCC2=CC=C1 SBB043885 [0,1,0,1,0,0|2,0,0]=4 652 B12R2.1081 NC1CCCC2=C1C=CC=C2 SBB000241 [0,1,0,1,0,0|1,0,0]=3 653 B12R2.1081 NC1CCCC2=C1C=CC=C2 SBB028283 [0,1,0,1,0,0|1,0,0]=3 654 B12R2.1081 NC1CCOC2=CC=CC=C21 SBB042737 [0,1,0,1,0,0|2,0,0]=4 655 B12R2.1081 O=C1CCCC2=C1C=CC=C2 SBB066987 [0,1,0,1,0,0|1,0,1]=4 656 B12R2.1081 O=C1CCOC2=CC=CC=C12 SBB056286 [0,1,0,1,0,0|2,0,0]=4 657 B12R2.1081 OC1=C2CCCCC2=CC=C1 SBB059308 [0,1,0,1,0,0|1,0,0]=3 658 B12R2.1081 OC1=CC=CC2=C1NCCC2 SBB014292 [0,1,0,1,0,0|2,0,0]=4 659 B12R2.1081 OC1CCCC2=CC=CC=C21 SBB056331 [0,1,0,1,0,0|1,0,0]=3 660 B12R2.1081 O[C@H]1CCOC2=CC=CC=C21 SBB086707 [0,1,0,1,0,0|2,0,0]=4 661 B12R2.2028 CC1CC(=O)C2=CC=CC=C21 SBB067569 [0,1,0,1,0,0|1,0,1]=4 662 B12R2.2028 CN1N=C(N)C2=C1C=CC=C2 SBB052076 [0,1,0,1,0,0|1,0,1]=4 663 B12R2.2028 OC1CC(O)C2=CC=CC=C21 SBB056381 [0,1,0,1,0,0|2,0,0]=4 664 B12R2.2075 O=C(C1=CC=CC=C1)C2CC2 SBB065028 [0,1,0,1,0,0|1,0,1]=4 665 B12R2.32 CNC1=NC2=C(C=CC=C2)O1 SBB086585 [0,1,0,1,0,0|1,0,1]=4 666 B12R2.32 NCC1CC2=CC=CC=C2O1 SBB013722 [0,1,0,1,0,0|2,0,0]=4 667 B12R2.32 OCC1CC2=C(C=CC=C2)N1 SBB086644 [0,1,0,1,0,0|2,0,0]=4 668 B12R2.32 OCC1CC2=CC=CC=C2O1 SBB017925 [0,1,0,1,0,0|2,0,0]=4 669 B12R2.196 CN1N=NC2=C1C=CC=C2N SBB073620 [0,1,0,1,0,0|2,0,0]=4 670 B12R2.196 O=C1CCC2=C1C=CC=C2Br SBB066977 [0,1,0,1,0,0|2,0,0]=4 671 B12R2.196 O=C1CCC2=C1C=CC=C2F SBB067819 [0,1,0,1,0,0|2,0,0]=4 672 B12R2.196 O=C1CCC2=C1C=CC=C2O SBB067319 [0,1,0,1,0,0|2,0,0]=4 673 B12R2.203 CN1N=NC2=C1C(N)=CC=C2 SBB073621 [0,1,0,1,0,0|2,0,0]=4 674 B12R2.612 CC1=CC=C2C(=O)CCC2=C1 SBB056356 [0,1,0,1,0,0|2,0,0]=4 675 B12R2.612 CN1C=CC2=C1C=CC(N)=C2 SBB010309 [0,1,0,1,0,0|0,0,2]=4 676 B12R2.612 CN1C=NC2=CC(N)=CC=C21 SBB047718 [0,1,0,1,0,0|1,0,1]=4 677 B12R2.612 CN1N=CC2=CC(Br)=CC=C21 SBB054728 [0,1,0,1,0,0|1,0,1]=4 678 B12R2.612 CN1N=CC2=CC(N)=CC=C21 SBB052094 [0,1,0,1,0,0|1,0,1]=4 679 B12R2.612 O=C1CCC2=C1C=CC(Cl)=C2 SBB069432 [0,1,0,1,0,0|2,0,0]=4 680 B12R2.612 O=C1CCC2=CC(Br)=CC=C12 SBB054671 [0,1,0,1,0,0|2,0,0]=4 681 B12R2.612 O=C1CCC2=CC(F)=CC=C12 SBB054670 [0,1,0,1,0,0|2,0,0]=4 682 B12R2.2057 C1=CC(CNC2CC2)=CC=N1 SBB085367 [0,1,0,1,0,0|2,0,0]=4 683 B12R2.2057 C1=CC(CNC2CC2)=CN=C1 SBB085360 [0,1,0,1,0,0|2,0,0]=4 684 B12R2.2057 C1=CC=C(OCC2CO2)C=C1 SBB060525 [0,1,0,1,0,0|1,0,0]=3 685 B12R2.2057 C1=CN=C(CNC2CC2)C=C1 SBB046556 [0,1,0,1,0,0|2,0,0]=4 686 B12R2.18 CC1CC2=CC=CC=C2C1=O SBB067570 [0,1,0,1,0,0|2,0,0]=4 687 B12R2.18 CN1C(=O)CC2=CC=CC=C21 SBB006878 [0,1,0,1,0,0|0,0,1]=3 688 B12R2.18 CN1C(=O)OC2=C1C=CC=C2 SBB017054 [0,1,0,1,0,0|1,0,1]=4 689 B12R2.18 CN1C(=O)SC2=C1C=CC=C2 SBB071442 [0,1,0,1,0,0|1,0,1]=4 690 B12R2.18 CN1C(=S)NC2=CC=CC=C21 SBB018392 [0,1,0,1,0,0|1,0,1]=4 691 B12R2.18 CN1C(=S)OC2=C1C=CC=C2 SBB012364 [0,1,0,1,0,0|1,0,1]=4 692 B12R2.18 CN1C(=S)SC2=CC=CC=C21 SBB007611 [0,1,0,1,0,0|1,0,1]=4 693 B12R2.18 CN1C(N)=NC2=C1C=CC=C2 SBB004092 [0,1,0,1,0,0|1,0,1]=4 694 B12R2.18 CN1C2=CC=CC=C2N=C1Cl SBB079664 [0,1,0,1,0,0|1,0,1]=4 695 B12R2.18 CN1C2=CC=CC=C2N=C1S SBB039024 [0,1,0,1,0,0|1,0,1]=4 696 B12R2.18 NC1C2=CC=CC=C2CC1O SBB052066 [0,1,0,1,0,0|2,0,0]=4 697 B12R2.18 NC1CC2=CC=CC=C2C1O SBB052067 [0,1,0,1,0,0|2,0,0]=4 698 B12R2.18 O=C1C2=CC=CC=C2CC1Br SBB054709 [0,1,0,1,0,0|2,0,0]=4 699 B12R2.18 OC1C2=C(C=CC=C2)CC1Br SBB058660 [0,1,0,1,0,0|2,0,0]=4 700 B12R2.18 O[C@H]1CC2=C(C=CC=C2)[C@H]1N SBB006600 [0,1,0,1,0,0|2,0,0]=4 701 B12R2.3190 O=C(O)C1CC2=CC=CC=C21 SBB053554 [0,1,0,1,0,0|2,0,0]=4 702 B8R1.8 CCCC1=CC=CS1 SBB073407 [1,0,0,0,1,0|1,0,0]=3 703 B8R1.8 CCCC1=NC=CS1 SBB055797 [1,0,0,0,1,0|2,0,0]=4 704 B8R1.8 CCCN1C=CC=N1 SBB024228 [1,0,0,0,1,0|2,0,0]=4 705 B8R1.8 CCCN1C=CN=C1 SBB073424 [1,0,0,0,1,0|2,0,0]=4 706 B8R1.8 CNCC1=CC=CO1 SBB079004 [1,0,0,0,1,0|1,0,0]=3 707 B8R1.8 CNCC1=CC=NN1 SBB023948 [1,0,0,0,1,0|2,0,0]=4 708 B8R1.8 NCCC1=CC=CO1 SBB013333 [1,0,0,0,1,0|1,0,0]=3 709 B8R1.8 NCCC1=CC=CS1 SBB013250 [1,0,0,0,1,0|1,0,0]=3 710 B8R1.8 NCCC1=CC=CS1 SBB013650 [1,0,0,0,1,0|1,0,0]=3 711 B8R1.8 NCCC1=CNC=N1 SBB003722 [1,0,0,0,1,0|2,0,0]=4 712 B8R1.8 NCCC1=CNC=N1 SBB012708 [1,0,0,0,1,0|2,0,0]=4 713 B8R1.8 NCCC1=CNN=C1 SBB018789 [1,0,0,0,1,0|2,0,0]=4 714 B8R1.8 NCCC1=CSC=C1 SBB109999 [1,0,0,0,1,0|1,0,0]=3 715 B8R1.8 NCCC1=NC=CS1 SBB046047 [1,0,0,0,1,0|2,0,0]=4 716 B8R1.8 NCCN1C=CC=N1 SBB007087 [1,0,0,0,1,0|2,0,0]=4 717 B8R1.8 NCCN1C=CN=C1 SBB026490 [1,0,0,0,1,0|2,0,0]=4 718 B8R1.8 OCCC1=CC=CS1 SBB062831 [1,0,0,0,1,0|2,0,0]=4