0 B11R1.40 C1=CC=C(NC(=S)NC)C=C1 SBB003887 [0,0,0,0,0,0|4,0,0]=4 1 B11R1.40 CC(CN)OC1=CC=CC=C1 SBB028307 [0,0,0,0,0,0|2,0,2]=4 2 B11R1.40 CCC(=O)CC1=CC=CC=C1 SBB060892 [0,0,0,0,0,0|2,0,2]=4 3 B11R1.40 CNC(=O)NC1=CC=CC=C1 SBB008334 [0,0,0,0,0,0|4,0,0]=4 4 B11R1.40 C\C(C=O)=C/C1=CC=CC=C1 SBB040229 [0,0,0,0,0,0|0,0,0]=0 5 B11R1.40 NCC(=O)NC1=CC=CC=C1 SBB004992 [0,0,0,0,0,0|3,0,1]=4 6 B11R1.40 NNC(=O)CC1=CC=CC=C1 SBB046750 [0,0,0,0,0,0|3,0,1]=4 7 B11R1.40 NNC(=O)NC1=CC=CC=C1 SBB028305 [0,0,0,0,0,0|4,0,0]=4 8 B11R1.40 NNC(=S)NC1=CC=CC=C1 SBB007538 [0,0,0,0,0,0|4,0,0]=4 9 B11R1.40 N\C(CC1=CC=CC=C1)=N/O SBB055188 [0,0,0,0,0,0|2,0,2]=4 10 B11R1.40 O=C(CBr)NC1=CC=CC=C1 SBB051003 [0,0,0,0,0,0|3,0,1]=4 11 B11R1.40 O=C(CC1=CC=CC=C1)NO SBB086771 [0,0,0,0,0,0|2,0,2]=4 12 B11R1.40 O=C(CCl)NC1=CC=CC=C1 SBB030441 [0,0,0,0,0,0|3,0,1]=4 13 B11R1.40 O=C(CCl)OC1=CC=CC=C1 SBB060340 [0,0,0,0,0,0|3,0,1]=4 14 B11R1.40 O=C(CS)NC1=CC=CC=C1 SBB008339 [0,0,0,0,0,0|2,1,1]=4 15 B11R1.40 O=C\C(Br)=C\C1=CC=CC=C1 SBB040238 [0,0,0,0,0,0|1,0,0]=1 16 B10R1.17 C(=O)CCC1=CC=CC=C1 SBB006730 [1,0,0,0,0,0|0,0,2]=3 17 B10R1.17 C(=O)NNC1=CC=CC=C1 SBB008261 [1,0,0,0,0,0|2,0,0]=3 18 B10R1.17 C=CCCC1=CC=CC=C1 SBB008476 [1,0,0,0,0,0|1,0,2]=4 19 B10R1.17 ClC\C=C\C1=CC=CC=C1 SBB040602 [1,0,0,0,0,0|1,0,1]=3 20 B10R1.17 N#C\C=C\C1=CC=CC=C1 SBB060940 [1,0,0,0,0,0|1,0,1]=3 21 B10R1.17 N(CC=C)C1=CC=CC=C1 SBB004211 [1,0,0,0,0,0|2,0,1]=4 22 B10R1.17 O=C=NCC1=CC=CC=C1 SBB048859 [1,0,0,0,0,0|1,0,2]=4 23 B10R1.17 O=COCC1=CC=CC=C1 SBB061238 [1,0,0,0,0,0|1,0,1]=3 24 B10R1.17 O=C\C=C\C1=CC=CC=C1 SBB028652 [1,0,0,0,0,0|0,0,0]=1 25 B10R1.17 OC\C=C\C1=CC=CC=C1 SBB058645 [1,0,0,0,0,0|0,0,2]=3 26 B10R1.18 CC(=O)CC1=CC=NC=C1 SBB055597 [1,0,0,0,0,0|1,0,1]=3 27 B10R1.18 CC(=O)NC1=CC=CC=C1 SBB040833 [1,0,0,0,0,0|1,0,0]=2 28 B10R1.18 CC(=O)NC1=CC=CC=N1 SBB085932 [1,0,0,0,0,0|2,0,0]=3 29 B10R1.18 CC(=O)NC1=CC=NC=C1 SBB085931 [1,0,0,0,0,0|2,0,0]=3 30 B10R1.18 CC(=O)OC1=CC=CC=C1 SBB058747 [1,0,0,0,0,0|1,0,0]=2 31 B10R1.18 CC(=S)NC1=CC=CC=C1 SBB086797 [1,0,0,0,0,0|1,1,0]=3 32 B10R1.18 CC(C)NC1=CC=CC=C1 SBB007921 [1,0,0,0,0,0|1,0,2]=4 33 B10R1.18 CN(C)CC1=CC=CC=C1 SBB060233 [1,0,0,0,0,0|1,0,2]=4 34 B10R1.18 C\[N+]([O-])=C/C1=CC=CC=C1 SBB085895 [1,0,0,0,0,0|1,0,1]=3 35 B10R1.18 NC(=O)CC1=CC=CC=C1 SBB017634 [1,0,0,0,0,0|1,0,1]=3 36 B10R1.18 NC(=O)NC1=CC=CC=C1 SBB058197 [1,0,0,0,0,0|2,0,0]=3 37 B10R1.18 NC(=S)CC1=CC=CC=C1 SBB016517 [1,0,0,0,0,0|1,1,1]=4 38 B10R1.18 NC(=S)NC1=CC=CC=C1 SBB036022 [1,0,0,0,0,0|2,1,0]=4 39 B10R1.18 NC(N)=NC1=CC=CC=C1 SBB055106 [1,0,0,0,0,0|3,0,0]=4 40 B10R1.18 O=C(Cl)CC1=CC=CC=C1 SBB040622 [1,0,0,0,0,0|1,0,1]=3 41 B10R1.18 O=C(Cl)OC1=CC=CC=C1 SBB060851 [1,0,0,0,0,0|2,0,0]=3 42 B10R1.18 O=C(O)CC1=CC=CN=C1 SBB003812 [1,0,0,0,0,0|2,0,1]=4 43 B10R1.18 O=C(O)CC1=NC=CC=C1 SBB003810 [1,0,0,0,0,0|2,0,1]=4 44 B10R1.18 OC(=O)CC1=CC=NC=C1 SBB005759 [1,0,0,0,0,0|2,0,1]=4 45 B10R1.18 [NH2+](C(=O)Cl)C1=CC=CC=C1 SBB060746 [1,0,0,0,0,0|2,0,0]=3 46 B12R1.34 O\N=C(/C)C(=O)C1=CC=CC=C1 SBB003926 [0,1,0,0,0,0|1,0,1]=3 47 B12R1.43 C(C1=CC=CC=C1)=C(\C)[N+](=O)[O-] SBB003925 [0,1,0,0,0,0|1,0,0]=2 48 B12R1.43 CC(=O)C(N)CC1=CC=CC=C1 SBB014560 [0,1,0,0,0,0|1,0,2]=4 49 B12R1.43 CC(OC1=CC=CC=C1)C(=O)Cl SBB050579 [0,1,0,0,0,0|1,0,1]=3 50 B12R1.43 CC(OC1=CC=CC=C1)C(=O)O SBB079963 [0,1,0,0,0,0|1,0,1]=3 51 B12R1.43 C\C(=C/C1=CC=CC=C1)C(=O)O SBB017509 [0,1,0,0,0,0|0,0,0]=1 52 B12R1.43 NC(=O)[C@@H](N)CC1=CC=CC=C1 SBB027287 [0,1,0,0,0,0|1,0,2]=4 53 B12R1.43 NC(CC1=CC=CC=C1)C(=O)O SBB058700 [0,1,0,0,0,0|1,0,2]=4 54 B12R1.43 O=C(O)C(=O)CC1=CC=CC=C1 SBB012361 [0,1,0,0,0,0|1,0,1]=3 55 B12R1.43 O=C(O)C(O)CC1=CC=CC=C1 SBB012365 [0,1,0,0,0,0|1,0,2]=4 56 B12R1.43 O=C(O)\C(F)=C\C1=CC=CC=C1 SBB087976 [0,1,0,0,0,0|1,0,0]=2 57 B12R1.43 O=C(O)\C(S)=C/C1=CC=CC=C1 SBB043389 [0,1,0,0,0,0|1,0,0]=2 58 B12R1.118 N#CC(C#N)=CC1=CC=CC=C1 SBB072364 [0,1,0,0,0,0|1,0,2]=4 59 B12R1.194 CC(C)(C=O)SC1=CC=CC=C1 SBB052358 [0,1,0,0,0,0|1,0,1]=3 60 B12R2.18 CC1=C(N)N2C=CC=CC2=N1 SBB052065 [0,0,0,1,0,0|3,0,0]=4 61 B12R2.18 CC1CC2=CC=CC=C2C1=O SBB067570 [0,0,0,1,0,0|0,0,2]=3 62 B12R2.18 O=C1C2=CC=CC=C2CC1Br SBB054709 [0,0,0,1,0,0|1,0,2]=4 63 B12R2.18 O=C1CC2=C(C=CC=C2)C1=O SBB068426 [0,0,0,1,0,0|1,0,1]=3 64 B12R2.18 O=C1NC2=C(C=CC=C2)C1=O SBB009100 [0,0,0,1,0,0|2,0,0]=3 65 B12R2.18 O=C1SC2=C(C=CC=C2)C1=O SBB087795 [0,0,0,1,0,0|2,0,0]=3 66 B12R2.24 BrC1=CC2=C(C=C1)N=CC=C2 SBB001559 [0,0,0,1,0,0|3,0,0]=4 67 B12R2.24 BrC1=CC2=C(C=CC=C2)N=C1 SBB059386 [0,0,0,1,0,0|2,0,0]=3 68 B12R2.24 BrC1=CC=C2C=CC=CC2=N1 SBB093967 [0,0,0,1,0,0|3,0,0]=4 69 B12R2.24 BrC1=CC=C2C=NC=CC2=C1 SBB054600 [0,0,0,1,0,0|3,0,0]=4 70 B12R2.24 BrC1=NC=C2C=CC=CC2=C1 SBB093966 [0,0,0,1,0,0|3,0,0]=4 71 B12R2.24 CC1=CC2=C(C=C1)N=CC=C2 SBB059125 [0,0,0,1,0,0|2,0,0]=3 72 B12R2.24 CC1=CC2=C(C=CC=N2)C=C1 SBB059301 [0,0,0,1,0,0|2,0,0]=3 73 B12R2.24 CC1=CC=C2C=CC=CC2=C1 SBB060085 [0,0,0,1,0,0|1,0,0]=2 74 B12R2.24 CC1=CC=C2N=CC=NC2=C1 SBB086354 [0,0,0,1,0,0|3,0,0]=4 75 B12R2.24 CC1=NC2=C(C=CC=C2)C=C1 SBB008939 [0,0,0,1,0,0|2,0,0]=3 76 B12R2.24 CC1=NC2=NC=CC=C2C=C1 SBB042157 [0,0,0,1,0,0|3,0,0]=4 77 B12R2.24 C[N+]1=CC=C2C=CC=CC2=C1 SBB086356 [0,0,0,1,0,0|2,0,0]=3 78 B12R2.24 ClC1=CC=C2C=CC=CC2=N1 SBB056975 [0,0,0,1,0,0|3,0,0]=4 79 B12R2.24 ClC1=NC2=CC=CC=C2N=C1 SBB054606 [0,0,0,1,0,0|3,0,0]=4 80 B12R2.24 FC1=CC2=C(C=C1)N=CC=C2 SBB086530 [0,0,0,1,0,0|3,0,0]=4 81 B12R2.24 FC1=CC2=C(C=CC=C2)C=C1 SBB086491 [0,0,0,1,0,0|2,0,0]=3 82 B12R2.24 IC1=CC=C2N=CC=CC2=C1 SBB054593 [0,0,0,1,0,0|3,0,0]=4 83 B12R2.24 NC1=CC2=C(C=C1)N=CC=C2 SBB008124 [0,0,0,1,0,0|3,0,0]=4 84 B12R2.24 NC1=CC2=C(C=CC=C2)N=C1 SBB004125 [0,0,0,1,0,0|2,0,0]=3 85 B12R2.24 NC1=CC2=C(C=CC=C2)N=C1 SBB004128 [0,0,0,1,0,0|2,0,0]=3 86 B12R2.24 NC1=CC2=CC=CC=C2C=N1 SBB051996 [0,0,0,1,0,0|3,0,0]=4 87 B12R2.24 NC1=CC2=CN=CC=C2C=C1 SBB069969 [0,0,0,1,0,0|3,0,0]=4 88 B12R2.24 NC1=CC=C2C=CC=CC2=C1 SBB057506 [0,0,0,1,0,0|2,0,0]=3 89 B12R2.24 NC1=CC=C2N=CC=CC2=C1 SBB004130 [0,0,0,1,0,0|3,0,0]=4 90 B12R2.24 NC1=NC2=CC=CC=C2C=C1 SBB051994 [0,0,0,1,0,0|3,0,0]=4 91 B12R2.24 O=C1C=CC2=C(C=CC=C2)O1 SBB000094 [0,0,0,1,0,0|3,0,0]=4 92 B12R2.24 O=C1C=CC2=CC=CC=C2N1 SBB004119 [0,0,0,1,0,0|3,0,0]=4 93 B12R2.24 OC1=CC2=C(C=CC=C2)N=C1 SBB059635 [0,0,0,1,0,0|2,0,0]=3 94 B12R2.24 OC1=CC2=CC=CC=C2C=C1 SBB040896 [0,0,0,1,0,0|2,0,0]=3 95 B12R2.24 OC1=CC=C2C=CN=CC2=C1 SBB056018 [0,0,0,1,0,0|3,0,0]=4 96 B12R2.24 OC1=CC=C2N=CC=CC2=C1 SBB004117 [0,0,0,1,0,0|3,0,0]=4 97 B12R2.24 OC1=NC2=CC=CC=C2N=C1 SBB056025 [0,0,0,1,0,0|3,0,0]=4 98 B12R2.24 SC1=CC2=C(C=CC=C2)C=C1 SBB059269 [0,0,0,1,0,0|2,0,0]=3 99 B12R2.24 SC1=CN=C2C=CC=CC2=N1 SBB059750 [0,0,0,1,0,0|3,0,0]=4 100 B12R2.32 NCC1=CC2=C(C=CC=C2)N1 SBB021214 [0,0,0,1,0,0|2,0,1]=4 101 B12R2.32 NCC1=CC2=CC=CC=C2O1 SBB072101 [0,0,0,1,0,0|2,0,1]=4 102 B12R2.32 O=CC1=CC2=C(C=CC=C2)O1 SBB010059 [0,0,0,1,0,0|1,0,0]=2 103 B12R2.32 O=CC1=CC2=C(C=CC=C2)S1 SBB068480 [0,0,0,1,0,0|1,0,0]=2 104 B12R2.32 O=CC1=CC2=C(C=CN=C2)N1 SBB069699 [0,0,0,1,0,0|2,0,0]=3 105 B12R2.32 O=CC1=CC2=C(C=NC=C2)N1 SBB069689 [0,0,0,1,0,0|2,0,0]=3 106 B12R2.32 O=CC1=CC2=CC=CC=C2N1 SBB027648 [0,0,0,1,0,0|1,0,0]=2 107 B12R2.32 O=CC1=CC2=CC=CN=C2N1 SBB069694 [0,0,0,1,0,0|2,0,0]=3 108 B12R2.32 O=CC1=CC2=CC=NC=C2S1 SBB110472 [0,0,0,1,0,0|2,0,0]=3 109 B12R2.32 O=CC1=CC2=CN=CC=C2S1 SBB110460 [0,0,0,1,0,0|2,0,0]=3 110 B12R2.32 O=CC1=CC2=NC=CC=C2N1 SBB069680 [0,0,0,1,0,0|2,0,0]=3 111 B12R2.32 O=CC1=NC2=C(C=CC=C2)N1 SBB000095 [0,0,0,1,0,0|2,0,0]=3 112 B12R2.32 O=CC1=NC2=CC=CC=C2S1 SBB052327 [0,0,0,1,0,0|2,0,0]=3 113 B12R2.32 OCC1=CC2=C(C=CC=C2)S1 SBB087818 [0,0,0,1,0,0|1,0,2]=4 114 B10R1.15 C#CC(=O)C1=CC=CC=C1 SBB012771 [0,0,0,0,1,0|2,0,1]=4 115 B10R1.15 C(=O)C(C)C1=CC=CC=C1 SBB007693 [0,0,0,0,1,0|0,0,1]=2 116 B10R1.15 CC(CN)C1=CC=CC=C1 SBB028247 [0,0,0,0,1,0|1,0,2]=4 117 B10R1.15 CC(CO)C1=CC=CC=C1 SBB007853 [0,0,0,0,1,0|0,0,3]=4 118 B10R1.15 CCC(=O)C1=CC=CC=C1 SBB058853 [0,0,0,0,1,0|2,0,1]=4 119 B10R1.15 CCC(C)C1=CC=CC=C1 SBB060615 [0,0,0,0,1,0|1,0,2]=4 120 B10R1.15 CN(C=O)C1=CC=CC=C1 SBB056830 [0,0,0,0,1,0|1,0,0]=2 121 B10R1.15 CNC(=O)C1=CC=CC=C1 SBB051421 [0,0,0,0,1,0|3,0,0]=4 122 B10R1.15 COC(=N)C1=CC=CC=C1 SBB055305 [0,0,0,0,1,0|3,0,0]=4 123 B10R1.15 COC(=O)C1=CC=CC=C1 SBB058212 [0,0,0,0,1,0|3,0,0]=4 124 B10R1.15 C[C@H](CN)C1=CC=CC=C1 SBB052360 [0,0,0,0,1,0|1,0,2]=4 125 B10R1.15 C\C(=N/N)C1=CC=CC=C1 SBB069878 [0,0,0,0,1,0|2,0,0]=3 126 B10R1.15 C\C(=N/O)C1=CC=NC=C1 SBB000069 [0,0,0,0,1,0|2,0,1]=4 127 B10R1.15 C\C(=N/O)C1=CN=CC=C1 SBB085929 [0,0,0,0,1,0|2,0,1]=4 128 B10R1.15 C\C(=N\O)C1=CC=CC=C1 SBB085898 [0,0,0,0,1,0|1,0,1]=3 129 B10R1.15 C\C(=N\O)C1=CC=CC=N1 SBB085936 [0,0,0,0,1,0|2,0,1]=4 130 B10R1.15 N#CC(=O)C1=CC=CC=C1 SBB058756 [0,0,0,0,1,0|2,0,1]=4 131 B10R1.15 NCC(=O)C1=CC=CC=C1 SBB063139 [0,0,0,0,1,0|2,0,1]=4 132 B10R1.15 NCC(=O)C1=CC=CC=C1 SBB066026 [0,0,0,0,1,0|2,0,1]=4 133 B10R1.15 NNC(=O)C1=CC=CC=C1 SBB040976 [0,0,0,0,1,0|3,0,0]=4 134 B10R1.15 N\C(=N/O)C1=CC=CC=C1 SBB015043 [0,0,0,0,1,0|2,0,1]=4 135 B10R1.15 N\C(=N/O)C1=CC=CC=C1 SBB055109 [0,0,0,0,1,0|2,0,1]=4 136 B10R1.15 O=C(CO)C1=CC=CC=C1 SBB085926 [0,0,0,0,1,0|1,0,2]=4 137 B10R1.15 O=C(NO)C1=CC=CC=C1 SBB058405 [0,0,0,0,1,0|2,0,1]=4 138 B10R1.15 O=CC(=O)C1=CC=CC=C1 SBB068905 [0,0,0,0,1,0|1,0,0]=2 139 B10R1.15 [NH3+]CC(=O)C1=CC=CC=C1 SBB061439 [0,0,0,0,1,0|2,0,1]=4 140 B10R1.27 C\C(C=O)=C\C1=CC=CO1 SBB040268 [0,0,0,0,1,0|1,0,0]=2 141 B12R1.27 C=CC(=O)OCC1=CC=CC=C1 SBB068279 [0,0,0,0,0,1|2,0,1]=4 142 B12R1.27 COC(=O)\C=C\C1=CC=CC=C1 SBB058222 [0,0,0,0,0,1|3,0,0]=4 143 B9R1.8 CCCC1=CC=CC=C1 SBB061210 [2,0,0,0,0,0|0,0,2]=4 144 B9R1.8 CCNC1=CC=CC=C1 SBB058818 [2,0,0,0,0,0|1,0,1]=4 145 B9R1.8 CNCC1=CC=CC=C1 SBB073015 [2,0,0,0,0,0|1,0,1]=4 146 B9R1.8 COCC1=CC=CC=C1 SBB063549 [2,0,0,0,0,0|1,0,1]=4 147 B9R1.8 O=CCC1=CC=CC=C1 SBB061710 [2,0,0,0,0,0|0,0,1]=3 148 B9R1.8 O=CNC1=CC=CC=C1 SBB058769 [2,0,0,0,0,0|1,0,0]=3 149 B9R1.8 O=S=NC1=CC=CC=C1 SBB007761 [2,0,0,0,0,0|2,0,0]=4 150 B11R1.1 C(=O)NNC1=CC=C(C)C=C1 SBB008283 [1,1,0,0,0,0|2,0,0]=4 151 B11R1.16 CC(NC=O)C1=CC=CC=C1 SBB068791 [1,1,0,0,0,0|1,0,1]=4 152 B11R1.16 O=C(\C=N\O)C1=CC=CC=C1 SBB063283 [1,1,0,0,0,0|1,0,1]=4 153 B11R1.16 O=C=NC(=O)C1=CC=CC=C1 SBB067603 [1,1,0,0,0,0|1,0,1]=4 154 B11R1.28 O\N=C\C=C\C1=CC=CC=C1 SBB108738 [1,1,0,0,0,0|0,0,1]=3 155 B11R1.91 CC(=O)C#CC1=CC=CC=C1 SBB015101 [1,1,0,0,0,0|0,0,2]=4 156 B11R1.91 CC(=O)CCC1=CC=CC=C1 SBB058827 [1,1,0,0,0,0|0,0,2]=4 157 B11R1.91 CC(=O)NNC1=CC=CC=C1 SBB058004 [1,1,0,0,0,0|2,0,0]=4 158 B11R1.91 CC(=O)OCC1=CC=CC=C1 SBB058375 [1,1,0,0,0,0|1,0,1]=4 159 B11R1.91 CC(=O)O[I+]C1=CC=CC=C1 SBB057853 [1,1,0,0,0,0|2,0,0]=4 160 B11R1.91 CC(C)=CCC1=CC=CC=C1 SBB007979 [1,1,0,0,0,0|1,0,1]=4 161 B11R1.91 NC(=O)CCC1=CC=CC=C1 SBB058119 [1,1,0,0,0,0|0,0,2]=4 162 B11R1.91 NC(=O)COC1=CC=CC=C1 SBB028296 [1,1,0,0,0,0|1,0,1]=4 163 B11R1.91 NC(=O)NCC1=CC=CC=C1 SBB058548 [1,1,0,0,0,0|1,0,1]=4 164 B11R1.91 NC(=O)OCC1=CC=CC=C1 SBB058407 [1,1,0,0,0,0|1,0,1]=4 165 B11R1.91 NC(=O)\C=C\C1=CC=CC=C1 SBB004096 [1,1,0,0,0,0|0,0,0]=2 166 B11R1.91 O=C(Cl)CCC1=CC=CC=C1 SBB058859 [1,1,0,0,0,0|0,0,2]=4 167 B11R1.91 O=C(Cl)COC1=CC=CC=C1 SBB040630 [1,1,0,0,0,0|1,0,1]=4 168 B11R1.91 O=C(Cl)OCC1=CC=CC=C1 SBB063193 [1,1,0,0,0,0|1,0,1]=4 169 B11R1.91 O=C(Cl)\C=C\C1=CC=CC=C1 SBB040621 [1,1,0,0,0,0|0,0,0]=2 170 B11R1.91 O=C(O)C#CC1=CC=CC=C1 SBB044891 [1,1,0,0,0,0|0,0,2]=4 171 B11R1.91 O=C(O)CCC1=CC=CC=C1 SBB056662 [1,1,0,0,0,0|0,0,2]=4 172 B11R1.91 O=C(O)CNC1=CC=CC=C1 SBB028637 [1,1,0,0,0,0|1,0,1]=4 173 B11R1.91 O=C(O)COC1=CC=CC=C1 SBB040522 [1,1,0,0,0,0|1,0,1]=4 174 B11R1.91 O=C(O)CSC1=CC=CC=C1 SBB001712 [1,1,0,0,0,0|1,0,1]=4 175 B11R1.91 O=C(O)\C=C\C1=CC=CC=C1 SBB028745 [1,1,0,0,0,0|0,0,0]=2 176 B11R1.91 O=C(O)\C=C\C1=CC=CC=N1 SBB059539 [1,1,0,0,0,0|1,0,0]=3 177 B11R1.91 O=C(O)\C=C\C1=CC=NC=C1 SBB028466 [1,1,0,0,0,0|1,0,0]=3 178 B11R1.91 O=C(O)\C=C\C1=CN=CC=C1 SBB028467 [1,1,0,0,0,0|1,0,0]=3 179 B11R1.91 O=C(O)\C=C\C1=NC=CN=C1 SBB072995 [1,1,0,0,0,0|2,0,0]=4 180 B11R1.91 O=[N+]([O-])\C=C\C1=CC=CC=C1 SBB056972 [1,1,0,0,0,0|1,0,0]=3 181 B11R1.91 O=[N+]([O-])\C=C\C1=CN=CC=C1 SBB108901 [1,1,0,0,0,0|2,0,0]=4 182 B11R1.20 CC(=O)CC1=CC=C(Br)C=C1 SBB058424 [1,1,0,0,0,0|0,0,1]=3 183 B11R1.20 CC(=O)CC1=CC=C(F)C=C1 SBB086853 [1,1,0,0,0,0|0,0,1]=3 184 B11R1.20 CC(=O)NC1=CC=C(Br)C=C1 SBB054161 [1,1,0,0,0,0|1,0,0]=3 185 B11R1.20 CC(=O)NC1=CC=C(Br)C=N1 SBB095054 [1,1,0,0,0,0|2,0,0]=4 186 B11R1.20 CC(=O)NC1=CC=C(C)C=C1 SBB059339 [1,1,0,0,0,0|1,0,0]=3 187 B11R1.20 CC(=O)NC1=CC=C(C)C=N1 SBB086721 [1,1,0,0,0,0|2,0,0]=4 188 B11R1.20 CC(=O)NC1=CC=C(Cl)C=C1 SBB058218 [1,1,0,0,0,0|1,0,0]=3 189 B11R1.20 CC(=O)NC1=CC=C(Cl)C=N1 SBB113300 [1,1,0,0,0,0|2,0,0]=4 190 B11R1.20 CC(=O)NC1=CC=C(F)C=C1 SBB086906 [1,1,0,0,0,0|1,0,0]=3 191 B11R1.20 CC(=O)NC1=CC=C(N)C=C1 SBB028292 [1,1,0,0,0,0|1,0,0]=3 192 B11R1.20 CC(=O)NC1=CC=C(N)C=C1 SBB090514 [1,1,0,0,0,0|1,0,0]=3 193 B11R1.20 CC(=O)NC1=CC=C(O)C=C1 SBB043758 [1,1,0,0,0,0|1,0,0]=3 194 B11R1.20 CC(=O)NC1=NC=C(I)C=C1 SBB102484 [1,1,0,0,0,0|2,0,0]=4 195 B11R1.20 CC(=O)NC1=NC=C(N)C=C1 SBB028302 [1,1,0,0,0,0|2,0,0]=4 196 B11R1.20 CC(=O)OC1=CC=C(C)C=C1 SBB060032 [1,1,0,0,0,0|1,0,0]=3 197 B11R1.20 CC(=O)OC1=CC=C(F)C=C1 SBB086983 [1,1,0,0,0,0|1,0,0]=3 198 B11R1.20 CC1=CC=C(CC(=O)O)C=C1 SBB063734 [1,1,0,0,0,0|1,0,1]=4 199 B11R1.20 CC1=CC=C(NC(N)=O)C=C1 SBB028290 [1,1,0,0,0,0|2,0,0]=4 200 B11R1.20 NC(=O)CC1=CC=C(O)C=C1 SBB028300 [1,1,0,0,0,0|1,0,1]=4 201 B11R1.20 NC(=O)NC1=CC=C(F)C=C1 SBB062099 [1,1,0,0,0,0|2,0,0]=4 202 B11R1.20 NC1=CC=C(CC(=O)O)C=C1 SBB028301 [1,1,0,0,0,0|1,0,1]=4 203 B11R1.20 O=C(Cl)CC1=CC=C(Cl)C=C1 SBB005859 [1,1,0,0,0,0|1,0,1]=4 204 B11R1.20 O=C(Cl)CC1=CC=C(F)C=C1 SBB067909 [1,1,0,0,0,0|1,0,1]=4 205 B11R1.20 O=C(O)CC1=CC=C(Br)C=C1 SBB042842 [1,1,0,0,0,0|1,0,1]=4 206 B11R1.20 O=C(O)CC1=CC=C(Cl)C=C1 SBB008374 [1,1,0,0,0,0|1,0,1]=4 207 B11R1.20 O=C(O)CC1=CC=C(F)C=C1 SBB052671 [1,1,0,0,0,0|1,0,1]=4 208 B11R1.20 O=C(O)CC1=CC=C(I)C=C1 SBB052672 [1,1,0,0,0,0|1,0,1]=4 209 B11R1.20 O=C(O)CC1=CC=C(O)C=C1 SBB059600 [1,1,0,0,0,0|1,0,1]=4 210 B11R1.20 SC1=CC=C(NC(C)=O)C=C1 SBB003881 [1,1,0,0,0,0|1,0,0]=3 211 B11R1.36 C=C(C(=O)O)C1=CC=CC=C1 SBB063201 [1,1,0,0,0,0|1,0,0]=3 212 B11R1.36 CC(=O)C(=O)C1=CC=CC=C1 SBB064017 [1,1,0,0,0,0|0,0,0]=2 213 B11R1.36 CC(=O)C(N)C1=CC=CC=C1 SBB055478 [1,1,0,0,0,0|0,0,1]=3 214 B11R1.36 CC(=O)N(C)C1=CC=CC=C1 SBB086654 [1,1,0,0,0,0|1,0,0]=3 215 B11R1.36 CC(=O)N(O)C1=CC=CC=C1 SBB058639 [1,1,0,0,0,0|1,0,0]=3 216 B11R1.36 CC(Br)C(=O)C1=CC=CC=C1 SBB058576 [1,1,0,0,0,0|1,0,1]=4 217 B11R1.36 CC(C(=O)O)C1=CC=CC=C1 SBB007855 [1,1,0,0,0,0|1,0,1]=4 218 B11R1.36 CN(C)C(=O)C1=CC=CC=C1 SBB058219 [1,1,0,0,0,0|1,0,1]=4 219 B11R1.36 NC(=O)C(N)C1=CC=CC=C1 SBB017231 [1,1,0,0,0,0|1,0,1]=4 220 B11R1.36 NC(=O)C(O)C1=CC=CC=C1 SBB028298 [1,1,0,0,0,0|1,0,1]=4 221 B11R1.36 NC(C(=O)O)C1=CC=CC=C1 SBB056598 [1,1,0,0,0,0|1,0,1]=4 222 B11R1.36 O=C(Cl)C(Cl)C1=CC=CC=C1 SBB007783 [1,1,0,0,0,0|1,0,1]=4 223 B11R1.36 O=C(O)C(=O)C1=CC=CC=C1 SBB057084 [1,1,0,0,0,0|1,0,0]=3 224 B11R1.36 O=C(O)C(Br)C1=CC=CC=C1 SBB007654 [1,1,0,0,0,0|1,0,1]=4 225 B11R1.36 O=C(O)C(F)C1=CC=CC=C1 SBB086979 [1,1,0,0,0,0|1,0,1]=4 226 B11R1.36 O=C(O)C(O)C1=CC=CC=C1 SBB007730 [1,1,0,0,0,0|1,0,1]=4 227 B11R1.36 O=C(O)C(S)C1=CC=CC=C1 SBB017395 [1,1,0,0,0,0|1,0,1]=4 228 B11R1.86 CC(=O)CC1=CC=CC=C1Cl SBB054187 [1,1,0,0,0,0|0,0,1]=3 229 B11R1.86 CC(=O)CC1=CC=CC=C1F SBB086844 [1,1,0,0,0,0|0,0,1]=3 230 B11R1.86 CC(=O)NC1=C(Br)C=NC=C1 SBB019103 [1,1,0,0,0,0|2,0,0]=4 231 B11R1.86 CC(=O)NC1=C(Cl)C=CC=C1 SBB084427 [1,1,0,0,0,0|1,0,0]=3 232 B11R1.86 CC(=O)NC1=C(N)C=CC=C1 SBB048028 [1,1,0,0,0,0|1,0,0]=3 233 B11R1.86 CC(=O)NC1=C(O)C=CC=C1 SBB080001 [1,1,0,0,0,0|1,0,0]=3 234 B11R1.86 CC(=O)NC1=CC=CC=C1Br SBB094902 [1,1,0,0,0,0|1,0,0]=3 235 B11R1.86 CC(=O)NC1=CC=CC=C1C SBB058208 [1,1,0,0,0,0|1,0,0]=3 236 B11R1.86 CC(=O)NC1=CC=CC=C1F SBB055359 [1,1,0,0,0,0|1,0,0]=3 237 B11R1.86 CC(=O)NC1=CC=CN=C1Cl SBB047028 [1,1,0,0,0,0|2,0,0]=4 238 B11R1.86 CC(=O)NC1=NC=CC=C1C SBB113292 [1,1,0,0,0,0|2,0,0]=4 239 B11R1.86 CC(=O)OC1=C(C)C=CC=C1 SBB060700 [1,1,0,0,0,0|1,0,0]=3 240 B11R1.86 CC(=O)OC1=CC=CC=C1F SBB086981 [1,1,0,0,0,0|1,0,0]=3 241 B11R1.86 CC1=C(NC(N)=O)C=CC=C1 SBB028293 [1,1,0,0,0,0|2,0,0]=4 242 B11R1.86 CC1=CC=CC=C1CC(=O)O SBB063148 [1,1,0,0,0,0|1,0,1]=4 243 B11R1.86 NC(=O)CC1=CC=CC=C1O SBB072925 [1,1,0,0,0,0|1,0,1]=4 244 B11R1.86 NC(=O)NC1=CC=CC=C1Cl SBB023415 [1,1,0,0,0,0|2,0,0]=4 245 B11R1.86 NC(=O)NC1=CC=CC=C1F SBB057912 [1,1,0,0,0,0|2,0,0]=4 246 B11R1.86 O=C(O)CC1=C(Br)C=CC=C1 SBB006626 [1,1,0,0,0,0|1,0,1]=4 247 B11R1.86 O=C(O)CC1=C(Cl)C=CC=C1 SBB057750 [1,1,0,0,0,0|1,0,1]=4 248 B11R1.86 O=C(O)CC1=C(F)C=CC=C1 SBB057963 [1,1,0,0,0,0|1,0,1]=4 249 B11R1.86 O=C(O)CC1=C(O)C=CC=C1 SBB057742 [1,1,0,0,0,0|1,0,1]=4 250 B11R1.86 O=C(O)CC1=CC=CC=C1I SBB063206 [1,1,0,0,0,0|1,0,1]=4 251 B11R1.157 CC(=O)CC1=CC(C)=CC=N1 SBB025632 [1,1,0,0,0,0|1,0,1]=4 252 B11R1.157 CC(=O)CC1=CC=CC(F)=C1 SBB086850 [1,1,0,0,0,0|0,0,1]=3 253 B11R1.157 CC(=O)C[N+]1=CC(C)=CC=C1 SBB002639 [1,1,0,0,0,0|1,0,1]=4 254 B11R1.157 CC(=O)NC1=CC(Br)=CC=C1 SBB051044 [1,1,0,0,0,0|1,0,0]=3 255 B11R1.157 CC(=O)NC1=CC(C)=CC=C1 SBB059218 [1,1,0,0,0,0|1,0,0]=3 256 B11R1.157 CC(=O)NC1=CC(Cl)=CC=C1 SBB088343 [1,1,0,0,0,0|1,0,0]=3 257 B11R1.157 CC(=O)NC1=CC(F)=CC=C1 SBB086915 [1,1,0,0,0,0|1,0,0]=3 258 B11R1.157 CC(=O)NC1=CC(N)=CC=C1 SBB008515 [1,1,0,0,0,0|1,0,0]=3 259 B11R1.157 CC(=O)NC1=CC(O)=CC=C1 SBB055395 [1,1,0,0,0,0|1,0,0]=3 260 B11R1.157 CC(=O)NC1=CC=CC(C)=N1 SBB086718 [1,1,0,0,0,0|2,0,0]=4 261 B11R1.157 CC(=O)OC1=CC(C)=CC=C1 SBB060031 [1,1,0,0,0,0|1,0,0]=3 262 B11R1.157 CC(=O)OC1=CC=CC(F)=C1 SBB086985 [1,1,0,0,0,0|1,0,0]=3 263 B11R1.157 CC1=CC(NC(N)=O)=CC=C1 SBB028291 [1,1,0,0,0,0|2,0,0]=4 264 B11R1.157 CC1=CC=CC(CC(=O)O)=C1 SBB068547 [1,1,0,0,0,0|1,0,1]=4 265 B11R1.157 NC(=O)NC1=CC(Br)=CC=C1 SBB055210 [1,1,0,0,0,0|2,0,0]=4 266 B11R1.157 NC1=CC(CC(=O)O)=CC=C1 SBB068772 [1,1,0,0,0,0|1,0,1]=4 267 B11R1.157 O=C(Cl)CC1=CC(F)=CC=C1 SBB088714 [1,1,0,0,0,0|1,0,1]=4 268 B11R1.157 O=C(O)CC1=CC(Br)=CC=C1 SBB037935 [1,1,0,0,0,0|1,0,1]=4 269 B11R1.157 O=C(O)CC1=CC=CC(Cl)=C1 SBB063159 [1,1,0,0,0,0|1,0,1]=4 270 B11R1.157 O=C(O)CC1=CC=CC(F)=C1 SBB063367 [1,1,0,0,0,0|1,0,1]=4 271 B11R1.157 O=C(O)CC1=CC=CC(I)=C1 SBB064349 [1,1,0,0,0,0|1,0,1]=4 272 B11R1.157 O=C(O)CC1=CC=CC(O)=C1 SBB063147 [1,1,0,0,0,0|1,0,1]=4 273 B11R1.509 CS(=O)(=O)CC1=CC=CC=C1 SBB059072 [1,1,0,0,0,0|1,0,1]=4 274 B11R1.509 CS(=O)(=O)NC1=CC=CC=C1 SBB008328 [1,1,0,0,0,0|2,0,0]=4 275 B11R1.12 CC\C(=N/O)C1=CC=CC=C1 SBB080355 [0,1,0,0,1,0|1,0,1]=4 276 B11R1.12 O=C\C(=C/O)C1=CC=NC=C1 SBB013493 [0,1,0,0,1,0|1,0,1]=4 277 B11R1.12 O\N=C(/CBr)C1=CC=CC=C1 SBB085154 [0,1,0,0,1,0|1,0,1]=4 278 B11R1.22 C\C(=N/O)C1=CC=C(Cl)C=C1 SBB029872 [0,1,0,0,1,0|1,0,1]=4 279 B11R1.22 O=CC(=O)C1=CC=C(F)C=C1 SBB088374 [0,1,0,0,1,0|1,0,0]=3 280 B11R1.23 O=CC(=O)C1=CC(F)=CC=C1 SBB071511 [0,1,0,0,1,0|1,0,0]=3 281 B11R1.222 C\C(=N\O)C1=C(O)C=CC=C1 SBB080216 [0,1,0,0,1,0|1,0,1]=4 282 B11R1.35 C\C(=C/C1=CC=CS1)[N+](=O)[O-] SBB000160 [0,1,0,0,1,0|2,0,0]=4 283 B13R1.348 CC(=O)C\C(C)=N/C1=CC=CC=C1 SBB089069 [0,2,0,0,0,0|1,0,0]=3 284 B13R1.348 N(C(=O)CC(C)=O)C1=CC=CC=C1 SBB003774 [0,2,0,0,0,0|2,0,0]=4 285 B13R1.348 NC(=O)NC(=O)CC1=CC=CC=C1 SBB057962 [0,2,0,0,0,0|1,0,1]=4 286 B13R1.133 CC(OC1=CC=C(Br)C=C1)C(=O)O SBB004553 [0,2,0,0,0,0|1,0,1]=4 287 B13R1.133 CC(OC1=CC=C(Cl)C=C1)C(=O)O SBB004555 [0,2,0,0,0,0|1,0,1]=4 288 B13R1.133 CC(OC1=CC=C(F)C=C1)C(=O)O SBB009317 [0,2,0,0,0,0|1,0,1]=4 289 B13R1.133 CC(OC1=CC=C(I)C=C1)C(=O)O SBB073608 [0,2,0,0,0,0|1,0,1]=4 290 B13R1.133 CC1=CC=C(OC(C)C(=O)O)C=C1 SBB004550 [0,2,0,0,0,0|1,0,1]=4 291 B13R1.133 C\C(=C/C1=CC=C(F)C=C1)[N+](=O)[O-] SBB089774 [0,2,0,0,0,0|1,0,0]=3 292 B13R1.133 O=C(O)C(=O)CC1=CC=C(O)C=C1 SBB068897 [0,2,0,0,0,0|1,0,1]=4 293 B13R1.133 OC(=O)C(C)OC1=CC=C(O)C=C1 SBB006616 [0,2,0,0,0,0|1,0,1]=4 294 B13R1.148 CC(OC1=CC(Br)=CC=C1)C(=O)O SBB043519 [0,2,0,0,0,0|1,0,1]=4 295 B13R1.148 CC(OC1=CC(Cl)=CC=C1)C(=O)O SBB057380 [0,2,0,0,0,0|1,0,1]=4 296 B13R1.148 CC(OC1=CC=CC(Br)=C1)C(N)=O SBB047047 [0,2,0,0,0,0|1,0,1]=4 297 B13R1.148 CC(OC1=CC=CC(F)=C1)C(=O)O SBB010711 [0,2,0,0,0,0|1,0,1]=4 298 B13R1.148 CC1=CC(OC(C)C(=O)O)=CC=C1 SBB079960 [0,2,0,0,0,0|1,0,1]=4 299 B13R1.202 CC(CC1=C(Cl)C=CC=C1)C(=O)O SBB302222 [0,2,0,0,0,0|0,0,2]=4 300 B13R1.202 CC(OC1=CC=CC=C1F)C(=O)O SBB010710 [0,2,0,0,0,0|1,0,1]=4 301 B13R1.202 CC1=C(NC(=O)C(=O)O)C=CC=C1 SBB049973 [0,2,0,0,0,0|2,0,0]=4 302 B13R1.202 CC1=C(OC(C)C(=O)O)C=CC=C1 SBB079961 [0,2,0,0,0,0|1,0,1]=4 303 B13R1.202 CC1=CC=CC=C1N[C@@H](C)C(=O)O SBB064575 [0,2,0,0,0,0|1,0,1]=4 304 B13R1.202 OC(=O)C(C)OC1=C(Cl)C=CC=C1 SBB003538 [0,2,0,0,0,0|1,0,1]=4 305 B13R1.418 CCC(OC1=CC=CC=C1)C(=O)O SBB000214 [0,2,0,0,0,0|1,0,1]=4 306 B13R1.418 CO\C(=C/C1=CC=CC=C1)C(=O)O SBB021719 [0,2,0,0,0,0|0,0,0]=2 307 B13R1.418 N#C\C(=C/C1=CC=CC=C1)C(=O)O SBB028487 [0,2,0,0,0,0|0,0,1]=3 308 B13R1.418 N#C\C(=C/C1=CC=CC=C1)C(N)=O SBB088640 [0,2,0,0,0,0|0,0,1]=3 309 B13R1.418 N#C\C(=C/C1=CC=CN=C1)C(=O)O SBB088886 [0,2,0,0,0,0|1,0,1]=4 310 B13R1.418 N#C\C(=C/C1=CC=NC=C1)C(N)=O SBB088764 [0,2,0,0,0,0|1,0,1]=4 311 B13R1.1073 CC(C)(OC1=CC=CC=C1)C(=O)O SBB020802 [0,2,0,0,0,0|1,0,1]=4 312 B13R1.1073 C[C@](N)(CC1=CC=CC=C1)C(=O)O SBB006742 [0,2,0,0,0,0|0,0,2]=4 313 B13R1.249 CC(C)(C=O)SC1=CC=C(Cl)C=C1 SBB052359 [0,2,0,0,0,0|1,0,1]=4 314 B13R1.2872 C\C(C#N)=C\C1=C(Cl)C=CC(Cl)=C1 SBB071674 [0,2,0,0,0,0|1,0,1]=4 315 B11R2.1 BrC1=COC2=CC=CC=C12 SBB054554 [1,0,0,1,0,0|2,0,0]=4 316 B11R2.1 BrC1=CSC2=C1C=CC=C2 SBB003415 [1,0,0,1,0,0|2,0,0]=4 317 B11R2.1 CC1=CNC2=CC=CC=C12 SBB055975 [1,0,0,1,0,0|2,0,0]=4 318 B11R2.1 CC1=CSC2=CC=CC=C12 SBB086600 [1,0,0,1,0,0|2,0,0]=4 319 B11R2.1 NC1=CNC2=C1C=CC=C2 SBB010263 [1,0,0,1,0,0|2,0,0]=4 320 B11R2.1 O=C1CCC2=CC=CC=C12 SBB056339 [1,0,0,1,0,0|0,0,2]=4 321 B11R2.1 O=C1COC2=CC=CC=C12 SBB056285 [1,0,0,1,0,0|1,0,1]=4 322 B11R2.1 O=C1NNC2=C1C=CC=C2 SBB004210 [1,0,0,1,0,0|2,0,0]=4 323 B11R2.1 O=C1OCC2=C1C=CC=C2 SBB056840 [1,0,0,1,0,0|1,0,1]=4 324 B11R2.20 C1=CC2=C(C=C1)N=CC=N2 SBB085760 [1,0,0,1,0,0|2,0,0]=4 325 B11R2.20 C1=CC2=C(C=CC=N2)N=C1 SBB059694 [1,0,0,1,0,0|2,0,0]=4 326 B11R2.20 C1=CC2=CC=NC=C2C=C1 SBB060380 [1,0,0,1,0,0|2,0,0]=4 327 B11R2.20 C1=CC2=CN=CC=C2N=C1 SBB056301 [1,0,0,1,0,0|2,0,0]=4 328 B11R2.20 C1=CC2=CN=CN=C2C=C1 SBB085761 [1,0,0,1,0,0|2,0,0]=4 329 B11R2.20 C1=CN=C2C=CC=CC2=C1 SBB060379 [1,0,0,1,0,0|1,0,0]=3 330 B11R2.10 CC1=CC2=C(C=CC=C2)N1 SBB058480 [1,0,0,1,0,0|1,0,0]=3 331 B11R2.10 CC1=CN2C=CC=CC2=N1 SBB056298 [1,0,0,1,0,0|2,0,0]=4 332 B11R2.10 CC1=NC2=C(C=CC=C2)S1 SBB059092 [1,0,0,1,0,0|1,1,0]=4 333 B11R2.10 CC1=NC2=C(C=CC=C2)[Se]1 SBB059124 [1,0,0,1,0,0|1,1,0]=4 334 B11R2.10 CC1=NC2=CC=CC=C2N1 SBB046157 [1,0,0,1,0,0|2,0,0]=4 335 B11R2.10 CC1=NC2=CC=CC=C2O1 SBB108741 [1,0,0,1,0,0|1,0,1]=4 336 B11R2.10 O=C1CC2=CC=CC=C2N1 SBB004215 [1,0,0,1,0,0|1,0,0]=3 337 B11R2.10 O=C1CN2C=CC=CC2=N1 SBB072140 [1,0,0,1,0,0|2,0,0]=4 338 B11R2.10 O=C1NC2=C(C=CC=C2)N1 SBB000067 [1,0,0,1,0,0|2,0,0]=4 339 B11R2.10 O=C1NC2=C(C=CC=C2)O1 SBB058504 [1,0,0,1,0,0|2,0,0]=4 340 B11R2.10 O=C1NC2=C(C=CC=C2)S1 SBB037873 [1,0,0,1,0,0|2,0,0]=4 341 B11R2.36 CC1=CC2=C(C=CN2)C=C1 SBB047999 [0,0,0,1,1,0|2,0,0]=4 342 B11R2.36 CC1=CC=C2NC=CC2=C1 SBB055972 [0,0,0,1,1,0|2,0,0]=4 343 B11R2.36 CC1=CC=C2SC=CC2=C1 SBB055960 [0,0,0,1,1,0|2,0,0]=4 344 B13R2.10 BrC1=CC=C(C2=CC=CC=C2)S1 SBB054413 [0,0,0,1,0,1|2,0,0]=4 345 B13R2.10 CC1=CN(C2=CC=CC=C2)N=C1 SBB116130 [0,0,0,1,0,1|1,0,0]=3 346 B13R2.10 CC1=CN=C(C2=CC=CC=C2)N1 SBB003991 [0,0,0,1,0,1|1,0,0]=3 347 B13R2.10 CC1=NC(C2=CC=CC=C2)=CS1 SBB089080 [0,0,0,1,0,1|2,0,0]=4 348 B13R2.10 CC1=NC(C2=CC=CC=C2)=NO1 SBB087440 [0,0,0,1,0,1|2,0,0]=4 349 B13R2.10 CC1=NNC(C2=CC=CC=C2)=C1 SBB057471 [0,0,0,1,0,1|2,0,0]=4 350 B13R2.10 CC1=NOC(C2=CC=CC=C2)=N1 SBB087430 [0,0,0,1,0,1|1,0,1]=4 351 B13R2.10 CN1C=CC(C2=CC=CC=C2)=N1 SBB073638 [0,0,0,1,0,1|2,0,0]=4 352 B13R2.10 ClC1=CN(C2=CC=CC=C2)N=C1 SBB089480 [0,0,0,1,0,1|2,0,0]=4 353 B13R2.32 CC1=C(N)C2=CC=CN=C2C=C1 SBB027255 [0,0,0,1,0,1|2,0,0]=4 354 B13R2.32 CC1=CC=C2C=CC=NC2=C1N SBB041662 [0,0,0,1,0,1|2,0,0]=4 355 B13R2.32 CC1=CN=C2C=CC=CN2C1=O SBB087431 [0,0,0,1,0,1|1,0,0]=3 356 B13R2.32 CC1CCC2=CC=CC=C2C1=O SBB067641 [0,0,0,1,0,1|0,0,2]=4 357 B13R2.32 NC1=C(O)C=CC2=C1C=CC=C2 SBB000347 [0,0,0,1,0,1|2,0,0]=4 358 B13R2.32 NC1=C2C=CC=CC2=CC=C1O SBB013739 [0,0,0,1,0,1|2,0,0]=4 359 B13R2.32 O=C1C(Br)=COC2=C1C=CC=C2 SBB096767 [0,0,0,1,0,1|1,0,0]=3 360 B13R2.32 O=C1C=CC2=C(C=CC=C2)C1=O SBB069545 [0,0,0,1,0,1|1,0,0]=3 361 B13R2.32 OC1=C(Br)C2=CC=CC=C2C=C1 SBB080000 [0,0,0,1,0,1|2,0,0]=4 362 B13R2.32 OC1=C(I)C2=CC=CC=C2C=C1 SBB054689 [0,0,0,1,0,1|2,0,0]=4 363 B13R2.57 C(=O)C1=CC2=C(C=CC=C2)C=C1 SBB058891 [0,0,0,1,0,1|0,0,1]=3 364 B13R2.57 O=CC1=CC2=CC=CC=C2C=N1 SBB066349 [0,0,0,1,0,1|0,0,1]=3 365 B13R2.57 O=CC1=CC2=CC=CC=C2N=C1 SBB041647 [0,0,0,1,0,1|0,0,1]=3 366 B13R2.57 O=CC1=CC2=CC=CC=C2OC1 SBB010136 [0,0,0,1,0,1|0,0,2]=4 367 B13R2.57 O=CC1=CC2=CC=CN=C2C=C1 SBB017941 [0,0,0,1,0,1|1,0,1]=4 368 B13R2.57 O=CC1=CC=C2C=CC=NC2=C1 SBB019424 [0,0,0,1,0,1|1,0,1]=4 369 B13R2.57 O=CC1=NC2=C(C=CC=C2)C=C1 SBB004007 [0,0,0,1,0,1|1,0,0]=3 370 B13R2.57 O=CC1=NC2=C(C=CC=C2)N=C1 SBB009167 [0,0,0,1,0,1|1,0,0]=3 371 B13R2.15 BrC1=CNN=C1C2=CC=CC=C2 SBB074355 [0,1,0,1,0,0|2,0,0]=4 372 B13R2.15 CC1=C(C2=CC=CC=C2)N=NS1 SBB089192 [0,1,0,1,0,0|2,0,0]=4 373 B13R2.15 CC1=NNC=C1C2=CC=CC=C2 SBB048410 [0,1,0,1,0,0|2,0,0]=4 374 B13R2.15 CN1N=CC=C1C2=CC=CC=C2 SBB073639 [0,1,0,1,0,0|2,0,0]=4 375 B13R2.135 CC1=C(C=O)C2=C(C=CC=C2)N1 SBB015331 [0,1,0,1,0,0|1,0,0]=3 376 B13R2.135 CC1=C(C=O)N2C=CC=CC2=N1 SBB010421 [0,1,0,1,0,0|2,0,0]=4 377 B13R2.135 O=CC1=C(Cl)NC2=CC=CC=C21 SBB052324 [0,1,0,1,0,0|2,0,0]=4 378 B13R2.135 O=CC1C(=O)NC2=CC=CC=C21 SBB005557 [0,1,0,1,0,0|2,0,0]=4 379 B13R2.328 CC1=CC(N)=C2N=CC=CC2=C1 SBB010403 [0,1,0,1,0,0|2,0,0]=4 380 B13R2.328 CC1=NC2=C(C=CC=C2)C(=O)N1 SBB036141 [0,1,0,1,0,0|1,0,0]=3 381 B13R2.328 CC1=NC2=C(C=CC=C2)C(=O)O1 SBB000135 [0,1,0,1,0,0|1,0,0]=3 382 B13R2.328 CC1=NC2=C(C=CC=C2)C(N)=C1 SBB003992 [0,1,0,1,0,0|2,0,0]=4 383 B13R2.328 CC1=NC2=CC=CC=C2C(Cl)=C1 SBB005362 [0,1,0,1,0,0|2,0,0]=4 384 B13R2.328 ClC1=CC2=C(C=CC=C2)C(Cl)=N1 SBB003563 [0,1,0,1,0,0|2,0,0]=4 385 B13R2.328 N1C(=O)OC(=O)C2=C1C=CC=C2 SBB003928 [0,1,0,1,0,0|2,0,0]=4 386 B13R2.328 NC1=CC(=O)C2=C(C=CC=C2)O1 SBB074226 [0,1,0,1,0,0|2,0,0]=4 387 B13R2.328 NC1=CC2=C(C=CC=C2)C(Br)=N1 SBB028443 [0,1,0,1,0,0|2,0,0]=4 388 B13R2.328 O=C1CC2=C(C=CC=C2)C(=O)O1 SBB069509 [0,1,0,1,0,0|1,0,1]=4 389 B13R2.328 O=C1CC2=CC=CC=C2C(=O)N1 SBB079065 [0,1,0,1,0,0|1,0,1]=4 390 B13R2.328 O=C1NC(=O)C2=C(C=CC=C2)N1 SBB087583 [0,1,0,1,0,0|2,0,0]=4 391 B13R2.328 O=C1NC(=O)C2=C(C=CC=C2)O1 SBB003929 [0,1,0,1,0,0|2,0,0]=4 392 B13R2.328 O=C1NC(=S)NC2=CC=CC=C12 SBB013596 [0,1,0,1,0,0|2,0,0]=4 393 B13R2.328 O=C1NC(=S)SC2=CC=CC=C12 SBB083368 [0,1,0,1,0,0|2,0,0]=4 394 B13R2.328 OC1=C2C=CC=CC2=NC(C)=C1 SBB003979 [0,1,0,1,0,0|1,0,1]=4 395 B13R2.328 [NH+]1=C2C=CC=CC2=C(Cl)C=C1C SBB061547 [0,1,0,1,0,0|2,0,0]=4 396 B13R2.45 C(=O)C1=NC2=C(C=CC=C2)N1C SBB010051 [0,1,0,1,0,0|1,0,0]=3 397 B13R2.45 CC1=C(C=O)NC2=CC=CC=C21 SBB010412 [0,1,0,1,0,0|1,0,0]=3 398 B13R2.45 CC1=C(C=O)OC2=CC=CC=C21 SBB111463 [0,1,0,1,0,0|1,0,0]=3 399 B13R2.45 CC1=C(C=O)SC2=CC=CC=C21 SBB089184 [0,1,0,1,0,0|1,0,0]=3 400 B13R2.45 N#CC1=C(N)C2=C(C=CC=C2)C1 SBB056584 [0,1,0,1,0,0|1,0,1]=4 401 B13R2.45 O=CC1=C(Cl)C2=C(C=CC=C2)N1 SBB004425 [0,1,0,1,0,0|1,0,0]=3 402 B13R2.45 O=CC1=C(Cl)C2=CC=CC=C2S1 SBB072434 [0,1,0,1,0,0|1,0,0]=3 403 B13R2.3085 CC1C(=O)C2=CC=CC=C2C1=O SBB087420 [0,1,0,1,0,0|0,0,1]=3 404 B13R2.3085 CN1C(=O)C(=O)C2=CC=CC=C21 SBB006835 [0,1,0,1,0,0|2,0,0]=4 405 B13R2.3085 CN1C(=O)C2=C(C=CC=C2)C1=O SBB087509 [0,1,0,1,0,0|1,0,0]=3 406 B13R2.3085 NN1C(=O)C2=CC=CC=C2C1=O SBB056325 [0,1,0,1,0,0|2,0,0]=4 407 B13R2.3085 O=C1C(=O)N(Cl)C2=C1C=CC=C2 SBB007868 [0,1,0,1,0,0|2,0,0]=4 408 B13R2.3085 O=C1C2=C(C=CC=C2)C(=O)N1O SBB009098 [0,1,0,1,0,0|2,0,0]=4 409 B13R2.369 CC1=C(C)C=C2C=CC=CC2=C1 SBB060955 [0,1,0,1,0,0|1,0,0]=3 410 B13R2.369 CC1=C(S)N=C2C=CC=CC2=N1 SBB057450 [0,1,0,1,0,0|1,1,0]=4 411 B13R2.369 CC1=CC2=CC=CC=C2N=C1Cl SBB041011 [0,1,0,1,0,0|1,0,0]=3 412 B13R2.369 CC1=CC2=NC=CC=C2N=C1N SBB045940 [0,1,0,1,0,0|2,0,0]=4 413 B13R2.369 CC1=NC2=CC=CC=C2N=C1Cl SBB010632 [0,1,0,1,0,0|2,0,0]=4 414 B13R2.369 CC1NC2=CC=CC=C2NC1=O SBB056026 [0,1,0,1,0,0|1,0,1]=4 415 B13R2.369 CN1CC2=C(C=CC=C2)NC1=O SBB057720 [0,1,0,1,0,0|1,0,1]=4 416 B13R2.369 N=C1NC2=C(C=CC=C2)NC1=O SBB018775 [0,1,0,1,0,0|2,0,0]=4 417 B13R2.369 NC1=C(O)C=C2C=CC=CC2=C1 SBB056891 [0,1,0,1,0,0|1,0,1]=4 418 B13R2.369 NC1=CC2=C(C=CC=C2)C=C1N SBB000127 [0,1,0,1,0,0|2,0,0]=4 419 B13R2.369 NC1=CC2=C(C=CC=C2)OC1=O SBB028346 [0,1,0,1,0,0|1,0,0]=3 420 B13R2.369 O=C1NC2=CC=CC=C2OC1=O SBB108834 [0,1,0,1,0,0|2,0,0]=4 421 B13R2.369 O=C1OC2=CC=CC=C2C=C1O SBB056328 [0,1,0,1,0,0|1,0,0]=3 422 B13R2.369 OC1=C(C)N=C2C=CC=CC2=N1 SBB003967 [0,1,0,1,0,0|1,0,1]=4 423 B13R2.369 OC1=CC2=C(C=CC=C2)C=C1O SBB059330 [0,1,0,1,0,0|1,0,1]=4 424 B13R2.423 O=C(Cl)[C@@H]1CC1C2=CC=CC=C2 SBB000222 [0,1,0,1,0,0|0,0,2]=4 425 B13R2.423 OC(=O)C1CC1C2=CC=CC=C2 SBB003944 [0,1,0,1,0,0|0,0,2]=4 426 B13R2.435 CC(=O)C1=CC2=CC=CC=C2O1 SBB017507 [0,1,0,1,0,0|1,0,0]=3 427 B13R2.435 CC(=O)C1=CC2=CC=CC=C2S1 SBB063050 [0,1,0,1,0,0|1,0,0]=3 428 B13R2.435 CC(=O)C1=NC2=C(C=CC=C2)N1 SBB014872 [0,1,0,1,0,0|2,0,0]=4 429 B13R2.435 CC(=O)C1=NC2=CC=CC=C2S1 SBB042759 [0,1,0,1,0,0|2,0,0]=4 430 B13R2.435 NC(=O)C1=CC2=CC=CC=C2S1 SBB055962 [0,1,0,1,0,0|1,0,0]=3 431 B13R2.435 O=C(Cl)C1=CC2=C(C=CC=C2)O1 SBB007360 [0,1,0,1,0,0|1,0,0]=3 432 B13R2.435 O=C(Cl)C1=CC2=CC=CC=C2S1 SBB053663 [0,1,0,1,0,0|1,0,0]=3 433 B13R2.435 O=C(Cl)C1=NC2=CC=CC=C2S1 SBB092214 [0,1,0,1,0,0|2,0,0]=4 434 B13R2.435 O=C(O)C1=CC2=C(C=CC=C2)N1 SBB003953 [0,1,0,1,0,0|1,0,0]=3 435 B13R2.435 O=C(O)C1=CC2=C(C=CC=C2)O1 SBB000137 [0,1,0,1,0,0|1,0,0]=3 436 B13R2.435 O=C(O)C1=CC2=C(C=CC=C2)S1 SBB003763 [0,1,0,1,0,0|1,0,0]=3 437 B13R2.435 O=C(O)C1=CC2=C(C=NC=C2)N1 SBB069687 [0,1,0,1,0,0|2,0,0]=4 438 B13R2.435 O=C(O)C1=CC2=C(N=CC=C2)S1 SBB089541 [0,1,0,1,0,0|2,0,0]=4 439 B13R2.435 O=C(O)C1=CC2=CC=CN=C2N1 SBB106818 [0,1,0,1,0,0|2,0,0]=4 440 B13R2.435 O=C(O)C1=CC2=NC=CC=C2N1 SBB069678 [0,1,0,1,0,0|2,0,0]=4 441 B13R2.435 O=C(O)C1=CN2C=CC=CC2=N1 SBB010195 [0,1,0,1,0,0|2,0,0]=4 442 B13R2.435 O=C(O)C1=NC2=C(C=CC=C2)N1 SBB019032 [0,1,0,1,0,0|2,0,0]=4 443 B13R2.435 O=C(O)C1CC2=C(C=CC=C2)C1 SBB003945 [0,1,0,1,0,0|0,0,2]=4 444 B13R2.435 O=C(O)C1CC2=C(C=CC=C2)N1 SBB028477 [0,1,0,1,0,0|1,0,1]=4 445 B13R2.435 O=C(O)C1CC2=CC=CC=C2O1 SBB042729 [0,1,0,1,0,0|1,0,1]=4 446 B13R2.43 O=CC1=CC2=CC=C(Br)C=C2N1 SBB096585 [0,1,0,1,0,0|1,0,0]=3 447 B13R2.3028 CC1=C(C)C2=CC(N)=CC=C2N1 SBB010427 [0,1,0,1,0,0|2,0,0]=4 448 B13R2.3028 CC1=CC=C2NC(=O)C(=O)C2=C1 SBB038748 [0,1,0,1,0,0|2,0,0]=4 449 B13R2.3028 N1C(=O)C(=O)C2=C1C=CC(Cl)=C2 SBB003741 [0,1,0,1,0,0|2,0,0]=4 450 B13R2.3028 O=C1NC2=C(C=C(Br)C=C2)C1=O SBB061707 [0,1,0,1,0,0|2,0,0]=4 451 B13R2.3028 O=C1NC2=C(C=C(F)C=C2)C1=O SBB012610 [0,1,0,1,0,0|2,0,0]=4 452 B13R2.3028 O=C1NC2=CC=C(Br)C=C2C1=O SBB038749 [0,1,0,1,0,0|2,0,0]=4 453 B13R2.3028 O=C1NC2=CC=C(I)C=C2C1=O SBB061948 [0,1,0,1,0,0|2,0,0]=4 454 B13R2.3683 CC1=CC=C2C=C(C)C=CC2=C1 SBB061146 [0,1,0,1,0,0|1,0,0]=3 455 B13R2.3683 CC1=NC2=C(C=C1)C=C(F)C=C2 SBB087523 [0,1,0,1,0,0|2,0,0]=4 456 B13R2.3683 CC1=NC2=C(C=C1)C=C(N)C=C2 SBB001638 [0,1,0,1,0,0|2,0,0]=4 457 B13R2.3683 CC1=NC2=CC=C(Br)C=C2C=C1 SBB062910 [0,1,0,1,0,0|2,0,0]=4 458 B13R2.3683 NC1=CC=C2C=C(N)C=CC2=C1 SBB072565 [0,1,0,1,0,0|2,0,0]=4 459 B13R2.3683 OC1=CC2=C(C=C1)C=C(O)C=C2 SBB000129 [0,1,0,1,0,0|2,0,0]=4 460 B13R2.3683 OC1=CC2=CC=C(Br)C=C2C=C1 SBB054639 [0,1,0,1,0,0|2,0,0]=4 461 B13R2.155 CC1=NC2=C(C=CC(F)=C2)C=C1 SBB087524 [0,1,0,1,0,0|2,0,0]=4 462 B13R2.155 CC1=NC2=CC(Cl)=CC=C2C=C1 SBB054589 [0,1,0,1,0,0|2,0,0]=4 463 B13R2.155 NC1=CC2=C(C=C1)N=CC(Br)=C2 SBB012832 [0,1,0,1,0,0|2,0,0]=4 464 B13R2.155 NC1=CC=C2C=CC(O)=CC2=C1 SBB047734 [0,1,0,1,0,0|2,0,0]=4 465 B13R2.155 OC1=CC=C2C=CC(O)=CC2=C1 SBB061307 [0,1,0,1,0,0|2,0,0]=4 466 B13R2.4856 CC1=CC=CC2=C1C(=O)C(=O)N2 SBB066733 [0,1,0,1,0,0|2,0,0]=4 467 B13R2.4856 O=C1NC2=C(C1=O)C(Cl)=CC=C2 SBB068371 [0,1,0,1,0,0|2,0,0]=4 468 B13R2.4856 O=C1NC2=CC=CC(Br)=C2C1=O SBB054675 [0,1,0,1,0,0|2,0,0]=4 469 B13R2.5179 OC1=CC2=CC=CC(O)=C2C=C1 SBB060481 [0,1,0,1,0,0|2,0,0]=4 470 B13R2.5190 CC1=CC2=CC(N)=CC=C2N1C SBB010426 [0,1,0,1,0,0|2,0,0]=4 471 B13R2.5190 O=C1NC2=CC(Br)=CC=C2C1=O SBB054674 [0,1,0,1,0,0|2,0,0]=4 472 B13R2.162 CC1=CC2=C(C=C1)N=CC=C2C SBB006296 [0,1,0,1,0,0|2,0,0]=4 473 B13R2.162 CC1=CC2=C(C=CC=C2N)N=N1 SBB027652 [0,1,0,1,0,0|2,0,0]=4 474 B13R2.162 CC1=CC=C2C=CC=C(C)C2=N1 SBB087220 [0,1,0,1,0,0|2,0,0]=4 475 B13R2.162 CC1=CC=C2C=CC=C(N)C2=N1 SBB010401 [0,1,0,1,0,0|2,0,0]=4 476 B13R2.162 CC1=CC=C2OC=CC(=O)C2=C1 SBB081177 [0,1,0,1,0,0|2,0,0]=4 477 B13R2.162 CC1=NC2=C(Cl)C=CC=C2C=C1 SBB089338 [0,1,0,1,0,0|2,0,0]=4 478 B13R2.162 CC1=NC2=C(O)C=CC=C2C=C1 SBB009099 [0,1,0,1,0,0|2,0,0]=4 479 B13R2.162 OC1=CC=C2C=CC=C(Br)C2=C1 SBB054650 [0,1,0,1,0,0|2,0,0]=4 480 B13R2.4825 CC1=C2NC(=O)C(=O)C2=CC=C1 SBB002431 [0,1,0,1,0,0|2,0,0]=4 481 B13R2.4825 O=C1NC2=C(C=CC=C2Br)C1=O SBB066728 [0,1,0,1,0,0|2,0,0]=4 482 B13R2.4825 O=C1NC2=C(C=CC=C2F)C1=O SBB067159 [0,1,0,1,0,0|2,0,0]=4 483 B13R2.4825 O=C1NC2=C(Cl)C=CC=C2C1=O SBB045989 [0,1,0,1,0,0|2,0,0]=4 484 B9R1.12 C(=O)\C=C\C1=CC=CO1 SBB004286 [1,0,0,0,1,0|1,0,0]=3 485 B9R1.6 C=C(C)C1=CC=CC=C1 SBB060154 [1,0,0,0,1,0|0,0,0]=2 486 B9R1.6 CC(=O)C1=CC=CC=C1 SBB040241 [1,0,0,0,1,0|0,0,0]=2 487 B9R1.6 CC(=O)C1=CC=NC=C1 SBB040256 [1,0,0,0,1,0|1,0,0]=3 488 B9R1.6 CC(=O)C1=CN=CC=C1 SBB040255 [1,0,0,0,1,0|1,0,0]=3 489 B9R1.6 CC(=O)C1=CN=CC=N1 SBB006738 [1,0,0,0,1,0|2,0,0]=4 490 B9R1.6 CC(=O)C1=NC=CC=C1 SBB058824 [1,0,0,0,1,0|1,0,0]=3 491 B9R1.6 CC(=O)C1=NC=CC=N1 SBB055904 [1,0,0,0,1,0|2,0,0]=4 492 B9R1.6 CC(Br)C1=CC=CC=C1 SBB040667 [1,0,0,0,1,0|1,0,1]=4 493 B9R1.6 CC(C)C1=CC=CC=C1 SBB040817 [1,0,0,0,1,0|0,0,2]=4 494 B9R1.6 CC(Cl)C1=CC=CC=C1 SBB007671 [1,0,0,0,1,0|1,0,1]=4 495 B9R1.6 CC(N)C1=CC=CC=C1 SBB040514 [1,0,0,0,1,0|1,0,1]=4 496 B9R1.6 CC(O)C1=CC=CC=C1 SBB058702 [1,0,0,0,1,0|0,0,2]=4 497 B9R1.6 CN(C)C1=CC=CC=C1 SBB040814 [1,0,0,0,1,0|1,0,1]=4 498 B9R1.6 CN(N)C1=CC=CC=C1 SBB060814 [1,0,0,0,1,0|2,0,0]=4 499 B9R1.6 C[C@H](N)C1=CC=CC=C1 SBB051709 [1,0,0,0,1,0|1,0,1]=4 500 B9R1.6 N=C(N)C1=CC=CC=C1 SBB055093 [1,0,0,0,1,0|2,0,0]=4 501 B9R1.6 NC(=O)C1=CC=CC=C1 SBB058198 [1,0,0,0,1,0|1,0,0]=3 502 B9R1.6 NC(=O)C1=CC=CC=N1 SBB008128 [1,0,0,0,1,0|2,0,0]=4 503 B9R1.6 NC(=O)C1=CC=CN=C1 SBB004283 [1,0,0,0,1,0|2,0,0]=4 504 B9R1.6 NC(=O)C1=CC=CN=C1 SBB055585 [1,0,0,0,1,0|2,0,0]=4 505 B9R1.6 NC(=S)C1=CC=CC=C1 SBB041177 [1,0,0,0,1,0|1,1,0]=4 506 B9R1.6 O=C(Cl)C1=CC=CC=C1 SBB059783 [1,0,0,0,1,0|1,0,0]=3 507 B9R1.6 O=C(Cl)C1=CC=CN=C1 SBB005806 [1,0,0,0,1,0|2,0,0]=4 508 B9R1.6 O=C(Cl)C1=CC=NC=C1 SBB000083 [1,0,0,0,1,0|2,0,0]=4 509 B9R1.6 O=C(Cl)C1=NC=CC=C1 SBB053631 [1,0,0,0,1,0|2,0,0]=4 510 B9R1.6 O=C(F)C1=CC=CC=C1 SBB085547 [1,0,0,0,1,0|1,0,0]=3 511 B9R1.6 O=C(O)C1=CC=CC=C1 SBB040515 [1,0,0,0,1,0|1,0,0]=3 512 B9R1.6 O=C(O)C1=CC=CN=C1 SBB004279 [1,0,0,0,1,0|2,0,0]=4 513 B9R1.6 O=C(O)C1=CC=NC=C1 SBB004278 [1,0,0,0,1,0|2,0,0]=4 514 B9R1.6 O=C(O)C1=NC=CC=C1 SBB004277 [1,0,0,0,1,0|2,0,0]=4 515 B9R1.6 O=[N+]([O-])C1=CC=CC=C1 SBB040911 [1,0,0,0,1,0|2,0,0]=4 516 B9R1.11 O=CC(=O)C1=CC=CS1 SBB076918 [0,0,0,0,2,0|2,0,0]=4