0 B10R1.4 C(=O)NC1=C(C=CC=C1)C S349992 [0,0,0,0,0,0|3,0,1]=4 1 B10R1.4 C(=O)NC1=C(C=CC=C1)Cl S775096 [0,0,0,0,0,0|3,0,1]=4 2 B10R1.4 C(=O)NC1=C(C=CC=C1)O S362476 [0,0,0,0,0,0|3,0,1]=4 3 B10R1.4 C=CCN1C=CC=CC1=O T161047 [0,0,0,0,0,0|2,0,2]=4 4 B10R1.4 C=CC[N+]1=CC=CC=C1N S142492 [0,0,0,0,0,0|1,0,2]=3 5 B10R1.4 C=CSC1=CC=CC=C1N PH007227 [0,0,0,0,0,0|1,0,2]=3 6 B10R1.4 CC1=C(C=CC=C1)CNN CBR02348 [0,0,0,0,0,0|3,0,0]=3 7 B10R1.4 CC1=CC=CC=C1CCN CDS007535 [0,0,0,0,0,0|2,0,0]=2 8 B10R1.4 CC1=CC=CN=C1CCN CDS009037 [0,0,0,0,0,0|3,0,0]=3 9 B10R1.4 CC1=NC=CC=C1CNN PH019261 [0,0,0,0,0,0|4,0,0]=4 10 B10R1.4 CCNC1=CC=CC=C1C S571016 [0,0,0,0,0,0|2,0,0]=2 11 B10R1.4 CCOC1=CC=CC=C1F S362085 [0,0,0,0,0,0|2,0,0]=2 12 B10R1.4 CCOC1=NC=CC=C1I ADE000294 [0,0,0,0,0,0|3,0,0]=3 13 B10R1.4 CCSC1=C(C=CC=C1)O PH000049 [0,0,0,0,0,0|2,0,0]=2 14 B10R1.4 CNCC1=CC=CC=C1O CDS000322 [0,0,0,0,0,0|2,0,0]=2 15 B10R1.4 CNCC1=CC=CN=C1Cl CBR00860 [0,0,0,0,0,0|3,0,0]=3 16 B10R1.4 COCC1=CC=CC=C1Br CDS003612 [0,0,0,0,0,0|2,0,0]=2 17 B10R1.4 CSCC1=CC=CC=C1Br S663395 [0,0,0,0,0,0|2,0,0]=2 18 B10R1.4 ClC1=CC=CC=C1C#CI RNI00102 [0,0,0,0,0,0|2,0,2]=4 19 B10R1.4 NC1=NC=CC=C1/C=N/O ADE000280 [0,0,0,0,0,0|3,0,1]=4 20 B10R1.4 NCCC1=CC=CC=C1N CDS005914 [0,0,0,0,0,0|1,0,0]=1 21 B10R1.4 NCCN1C=CC=CC1=O PH019084 [0,0,0,0,0,0|3,0,0]=3 22 B10R1.4 NCCN1C=CC=CC1=O T300829 [0,0,0,0,0,0|3,0,0]=3 23 B10R1.4 NNCC1=CC=CC=C1Cl S441996 [0,0,0,0,0,0|3,0,0]=3 24 B10R1.4 O/N=C/C1=CC=CC=C1F S550531 [0,0,0,0,0,0|3,0,1]=4 25 B10R1.4 O=C1C=CC=CN1CCO T161284 [0,0,0,0,0,0|3,0,0]=3 26 B10R1.4 O=CCC1=CC=CC=C1Br CDS018605 [0,0,0,0,0,0|2,0,1]=3 27 B10R1.4 O=CNC1=C(C=CC=C1)F PH008157 [0,0,0,0,0,0|3,0,1]=4 28 B9R1.8 BrCCC1=CC=CN=C1 CDS024209 [1,0,0,0,0,0|2,0,0]=3 29 B9R1.8 C(=N/O)\C1=CC=CC=C1 S893145 [1,0,0,0,0,0|2,0,1]=4 30 B9R1.8 C/C=C/C1=CC=CC=N1 PH007383 [1,0,0,0,0,0|1,0,2]=4 31 B9R1.8 CCCC1=CC=NC=C1 S573086 [1,0,0,0,0,0|1,0,0]=2 32 B9R1.8 CCOC1=CC=CC=N1 S442267 [1,0,0,0,0,0|2,0,0]=3 33 B9R1.8 CNCC1=NC=NC=C1 PH017743 [1,0,0,0,0,0|3,0,0]=4 34 B9R1.8 CNCC1=NC=NC=C1 PH019105 [1,0,0,0,0,0|3,0,0]=4 35 B9R1.8 CNNC1=CC=CC=C1 PH012261 [1,0,0,0,0,0|2,0,0]=3 36 B9R1.8 COCC1=CC=CC=N1 S363146 [1,0,0,0,0,0|2,0,0]=3 37 B9R1.8 Cl[Hg]CC1=CC=CC=C1 S810894 [1,0,0,0,0,0|2,0,0]=3 38 B9R1.8 I[Hg]CC1=CC=CC=C1 S838705 [1,0,0,0,0,0|2,0,0]=3 39 B9R1.8 NCCC1=CC=CN=C1 CDS003709 [1,0,0,0,0,0|2,0,0]=3 40 B9R1.8 NCCC1=CC=CN=C1 CDS022961 [1,0,0,0,0,0|2,0,0]=3 41 B9R1.8 NOCC1=CC=CC=C1 CDS001502 [1,0,0,0,0,0|2,0,0]=3 42 B9R1.8 OCCC1=CC=CN=C1 CDS008359 [1,0,0,0,0,0|2,0,0]=3 43 B9R1.8 OCC[N+]1=CC=CC=C1 T161055 [1,0,0,0,0,0|2,0,0]=3 44 B9R1.8 SCCC1=CC=CC=N1 CDS004787 [1,0,0,0,0,0|2,0,0]=3 45 B9R1.8 SCCC1=CC=NC=C1 CDS000260 [1,0,0,0,0,0|2,0,0]=3 46 B9R1.8 SCCC1=CC=NC=C1 CDS004770 [1,0,0,0,0,0|2,0,0]=3 47 B9R1.8 [C-]#[N+]CC1=CC=CN=C1 PH015401 [1,0,0,0,0,0|2,0,1]=4 48 B9R1.8 [C-]#[N+]CC1=CC=NC=C1 PH015037 [1,0,0,0,0,0|2,0,1]=4 49 B9R1.15 C(=O)C1=C(C=CC=C1)[O-] S17079 [1,0,0,0,0,0|2,0,1]=4 50 B9R1.15 CC1=C(C=CC=C1)NN R580260 [1,0,0,0,0,0|3,0,0]=4 51 B9R1.15 CC1=C(C=CC=C1)[IH2]=O T330531 [1,0,0,0,0,0|3,0,0]=4 52 B9R1.15 CC1=C(N=CC=C1)CCl PH010818 [1,0,0,0,0,0|3,0,0]=4 53 B9R1.15 CC1=CC=CN=C1CN CDS004048 [1,0,0,0,0,0|3,0,0]=4 54 B9R1.15 CC1=CC=NC=C1CN CDS013951 [1,0,0,0,0,0|3,0,0]=4 55 B9R1.15 CC1=NC=CC=C1CBr MNO000159 [1,0,0,0,0,0|3,0,0]=4 56 B9R1.15 CC1=NC=CC=C1CCl CBR02441 [1,0,0,0,0,0|3,0,0]=4 57 B9R1.15 CCC1=NC=NC=C1Br CDS023071 [1,0,0,0,0,0|3,0,0]=4 58 B9R1.15 CCN1C=CC=CC1=O S683159 [1,0,0,0,0,0|2,0,0]=3 59 B9R1.15 CC[N+]1=C(C=CC=C1)Br S765686 [1,0,0,0,0,0|2,0,0]=3 60 B9R1.15 CC[N+]1=C(N=CC=C1)N S140686 [1,0,0,0,0,0|2,0,0]=3 61 B9R1.15 CC[N+]1=CC=CC=C1N S142549 [1,0,0,0,0,0|1,0,0]=2 62 B9R1.15 CNC1=C(C=CC=C1)F CDS000433 [1,0,0,0,0,0|2,0,0]=3 63 B9R1.15 CNC1=NC=CC=C1Cl T169315 [1,0,0,0,0,0|3,0,0]=4 64 B9R1.15 COC1=C(C=NC=C1)I ADE000651 [1,0,0,0,0,0|3,0,0]=4 65 B9R1.15 COC1=CC=CC=C1N CDS000192 [1,0,0,0,0,0|1,0,0]=2 66 B9R1.15 COC1=CC=NC=C1Br CDS007984 [1,0,0,0,0,0|3,0,0]=4 67 B9R1.15 COC1=NC=CC=C1N CDS002836 [1,0,0,0,0,0|2,0,0]=3 68 B9R1.15 ClC1=C(C=CC=N1)CBr CDS022464 [1,0,0,0,0,0|3,0,0]=4 69 B9R1.15 N#[N+]C1=C(C=CC=C1)Cl R288675 [1,0,0,0,0,0|3,0,0]=4 70 B9R1.15 NC1=C(C=CN=C1)CO ADE000287 [1,0,0,0,0,0|2,0,0]=3 71 B9R1.15 NC1=C(C=NC=C1)C=O ADE000099 [1,0,0,0,0,0|2,0,1]=4 72 B9R1.15 NC1=C(N=CC=C1)C=O CDS022545 [1,0,0,0,0,0|2,0,1]=4 73 B9R1.15 NC1=CC=NC=C1CO ADE000311 [1,0,0,0,0,0|2,0,0]=3 74 B9R1.15 NC1=CN=CC=C1C=O ADE000254 [1,0,0,0,0,0|2,0,1]=4 75 B9R1.15 NC1=NC=CC=C1CO ADE000265 [1,0,0,0,0,0|2,0,0]=3 76 B9R1.15 NCC1=C(C=CC=C1)O CDS008020 [1,0,0,0,0,0|2,0,0]=3 77 B9R1.15 NCC1=CC=CC=C1Br T151114 [1,0,0,0,0,0|2,0,0]=3 78 B9R1.15 OCC1=C(C=NC=C1)Cl MNO000070 [1,0,0,0,0,0|3,0,0]=4 79 B9R1.15 OCC1=C(C=NC=C1)F MNO000191 [1,0,0,0,0,0|3,0,0]=4 80 B9R1.15 OCC1=CC=CC=N1O S459240 [1,0,0,0,0,0|3,0,0]=4 81 B9R1.15 OCC1=CC=NC=C1Br MNO000077 [1,0,0,0,0,0|3,0,0]=4 82 B9R1.15 OCC1=NC=CC=C1O R578177 [1,0,0,0,0,0|3,0,0]=4 83 B11R1.13 CC1=CC=CN(C1=O)CCN PH017777 [0,1,0,0,0,0|3,0,0]=4 84 B11R1.13 CCCC1=C(C(=CC=C1)C)O S405507 [0,1,0,0,0,0|1,0,0]=2 85 B11R1.13 NCCC1=CC=CC(=C1Cl)Cl L300195 [0,1,0,0,0,0|2,0,0]=3 86 B11R1.13 OCCC1=CC=CC(=C1F)Cl CDS022327 [0,1,0,0,0,0|2,0,0]=3 87 B11R1.17 C/C=C/CC1=CC=CC=C1O PH015920 [0,1,0,0,0,0|1,0,1]=3 88 B11R1.17 C=CCNC1=CC=CC=C1C S432768 [0,1,0,0,0,0|1,0,2]=4 89 B11R1.17 C=CCOC1=CC=CC=C1C S432911 [0,1,0,0,0,0|1,0,2]=4 90 B11R1.17 C=CCOC1=CC=CC=C1Cl S544744 [0,1,0,0,0,0|1,0,2]=4 91 B11R1.17 C=CCSC1=CC=CC=C1N PH000451 [0,1,0,0,0,0|0,0,2]=3 92 B11R1.17 CC1=C(C=CC=C1)NCC#N PH010275 [0,1,0,0,0,0|2,0,1]=4 93 B11R1.17 CC1=C(C=CC=C1)NCCN PH010276 [0,1,0,0,0,0|2,0,0]=3 94 B11R1.17 CC1=C(C=CC=C1)OCC#N S84612 [0,1,0,0,0,0|2,0,1]=4 95 B11R1.17 CC1=C(C=CC=C1)OCCN R414298 [0,1,0,0,0,0|2,0,0]=3 96 B11R1.17 CC1=C(N=CC=C1)NCCN CBR01323 [0,1,0,0,0,0|3,0,0]=4 97 B11R1.17 CC1=CC=CC=C1OCCN OTV000147 [0,1,0,0,0,0|2,0,0]=3 98 B11R1.17 CCCCC1=C(C=CC=C1)N CDS000462 [0,1,0,0,0,0|0,0,0]=1 99 B11R1.17 CCCOC1=CC=CC=C1N CDS014846 [0,1,0,0,0,0|0,0,0]=1 100 B11R1.17 CCCOC1=CC=CN=C1N OTV000742 [0,1,0,0,0,0|1,0,0]=2 101 B11R1.17 CCCSC1=CC=CC=C1N PH000487 [0,1,0,0,0,0|0,0,0]=1 102 B11R1.17 COCCC1=CC=CC=C1Br S809608 [0,1,0,0,0,0|1,0,0]=2 103 B11R1.17 COCOC1=CC=CC=C1Br CBR01868 [0,1,0,0,0,0|2,0,0]=3 104 B11R1.17 N#CCCN1C=CC=CC1=O PH010422 [0,1,0,0,0,0|2,0,1]=4 105 B11R1.17 NC1=C(C=CN=C1)OCCO ADE000692 [0,1,0,0,0,0|2,0,0]=3 106 B11R1.17 NC1=CC=CN=C1OCCO ADE000693 [0,1,0,0,0,0|2,0,0]=3 107 B11R1.17 NC1=NC=CC=C1CCCO ADE000774 [0,1,0,0,0,0|1,0,0]=2 108 B11R1.17 NCCCC1=C(C=CC=C1)F CBR02360 [0,1,0,0,0,0|1,0,0]=2 109 B11R1.17 NCCCN1C=CC=CC1=O CBR01559 [0,1,0,0,0,0|2,0,0]=3 110 B11R1.17 NCCOC1=C(C=CC=C1)Cl R414425 [0,1,0,0,0,0|2,0,0]=3 111 B11R1.17 NCCOC1=CC=CC=C1F CBR00831 [0,1,0,0,0,0|2,0,0]=3 112 B11R1.17 OCCCC1=C(C=CN=C1)O ADE000771 [0,1,0,0,0,0|2,0,0]=3 113 B11R1.17 OCCOC1=NC=CC=C1O ADE000107 [0,1,0,0,0,0|3,0,0]=4 114 B11R1.41 BrCCC1=CC=CC=C1CBr S809802 [0,1,0,0,0,0|2,0,0]=3 115 B11R1.41 CCC1=CC=CC=C1CCN PH016764 [0,1,0,0,0,0|2,0,0]=3 116 B11R1.41 CCC1=CC=CC=C1CCO T175994 [0,1,0,0,0,0|2,0,0]=3 117 B11R1.41 CCNC1=NC=CC=C1OC VBP00022 [0,1,0,0,0,0|3,0,0]=4 118 B11R1.41 CCOC1=CC=CN=C1NC VBP00005 [0,1,0,0,0,0|2,0,0]=3 119 B11R1.41 COC1=CC=CC=C1CSC S697931 [0,1,0,0,0,0|2,0,0]=3 120 B11R1.41 COCC1=CC=CC=C1CN CDS002378 [0,1,0,0,0,0|1,0,0]=2 121 B11R1.41 CSC1=CC=CC=C1CC#N PH002491 [0,1,0,0,0,0|2,0,1]=4 122 B11R1.41 O=CC1=C(C=CC=C1)CCBr PH009837 [0,1,0,0,0,0|2,0,0]=3 123 B11R1.81 CC1=CC(=C(C=C1)CC=O)C PH015341 [0,1,0,0,0,0|2,0,1]=4 124 B11R1.81 CCCC1=C(N=C(N=C1)C)Cl CBR00552 [0,1,0,0,0,0|3,0,0]=4 125 B11R1.81 CCCN1C=CC(=O)NC1=O PH009552 [0,1,0,0,0,0|3,0,0]=4 126 B11R1.81 CCOC1=C(C=C(C=C1)N)Cl CBR01472 [0,1,0,0,0,0|2,0,0]=3 127 B11R1.81 CCOC1=CC=C(C=C1N)N S454931 [0,1,0,0,0,0|1,0,0]=2 128 B11R1.81 CCOC1=NC=C(C=C1Br)N CDS023885 [0,1,0,0,0,0|3,0,0]=4 129 B11R1.81 CCOC1=NC=C(C=C1I)Br ADE000300 [0,1,0,0,0,0|3,0,0]=4 130 B11R1.81 NCCC1=CC=C(C=C1F)Cl CDS022235 [0,1,0,0,0,0|2,0,0]=3 131 B11R1.81 NCCC1=CC=C(C=C1F)F L300241 [0,1,0,0,0,0|2,0,0]=3 132 B11R1.86 C/[N+](=C/C1=C(C=CC=C1)O)/[O-] L170356 [0,1,0,0,0,0|2,0,1]=4 133 B11R1.86 CC(=O)CC1=C(C=CC=N1)C CBR00268 [0,1,0,0,0,0|2,0,1]=4 134 B11R1.86 CC(=O)CC1=CC=CC=C1Br CDS003545 [0,1,0,0,0,0|1,0,1]=3 135 B11R1.86 CC(=O)CC1=CC=CC=[N+]1C R433691 [0,1,0,0,0,0|2,0,1]=4 136 B11R1.86 CC(=O)C[N+]1=C(C=CC=C1)C OTV000875 [0,1,0,0,0,0|2,0,1]=4 137 B11R1.86 CC(=O)NC1=C(C=CC=C1)C S554383 [0,1,0,0,0,0|2,0,1]=4 138 B11R1.86 CC(=O)OC1=C(C=CC=C1)I KOB0112 [0,1,0,0,0,0|2,0,1]=4 139 B11R1.86 CC(C)OC1=CC=CC=C1N CDS002647 [0,1,0,0,0,0|1,0,0]=2 140 B11R1.86 CC(C)OC1=NC=CC=C1I ADE000296 [0,1,0,0,0,0|3,0,0]=4 141 B11R1.86 CC(C)SC1=CC=CC=C1N CBR00953 [0,1,0,0,0,0|1,0,0]=2 142 B11R1.86 CC(C)SC1=CC=CC=C1N PH010950 [0,1,0,0,0,0|1,0,0]=2 143 B11R1.86 CC1=C(C=CC=C1)CC(=O)Cl PH014881 [0,1,0,0,0,0|2,0,1]=4 144 B11R1.86 CC1=C(C=CC=C1)CN(C)C T333018 [0,1,0,0,0,0|2,0,0]=3 145 B11R1.86 CN(C)CC1=CC=CC=C1O CDS000342 [0,1,0,0,0,0|2,0,0]=3 146 B11R1.86 CN(N)CC1=CC=CC=C1Cl PH001191 [0,1,0,0,0,0|2,0,0]=3 147 B11R1.86 N=C(N)CC1=C(C=CC=C1)Cl PH015478 [0,1,0,0,0,0|2,0,1]=4 148 B11R1.86 NC(=O)CC1=CC=CC=C1Br CDS005049 [0,1,0,0,0,0|2,0,1]=4 149 B11R1.86 NC(=O)CC1=CC=CC=C1Cl CDS011434 [0,1,0,0,0,0|2,0,1]=4 150 B11R1.86 NC(=O)CC1=CC=CC=C1N CDS012270 [0,1,0,0,0,0|1,0,1]=3 151 B11R1.86 NC(=O)CC1=CC=CC=C1O S668982 [0,1,0,0,0,0|2,0,1]=4 152 B11R1.86 NC1=C(C=CC=C1)CC(=O)O CDS003084 [0,1,0,0,0,0|1,0,1]=3 153 B11R1.182 C=CCC1=CC(=CC=C1O)C S35298 [0,1,0,0,0,0|1,0,2]=4 154 B11R1.182 CC1=C(C=C(C=C1)F)CC#N PH011498 [0,1,0,0,0,0|2,0,1]=4 155 B11R1.182 CC1=CC(=C(C=C1)C)CC=O PH015094 [0,1,0,0,0,0|2,0,1]=4 156 B11R1.182 CC1=CC=C(C(=C1)CCN)O PH019198 [0,1,0,0,0,0|2,0,0]=3 157 B11R1.182 CC1=CC=C(C(=C1)CCO)C S347248 [0,1,0,0,0,0|2,0,0]=3 158 B11R1.182 CNCC1=CC(=CC=C1Cl)Cl PH016788 [0,1,0,0,0,0|2,0,0]=3 159 B11R1.182 CNCC1=CC(=CC=C1O)F CDS021392 [0,1,0,0,0,0|2,0,0]=3 160 B11R1.182 N#CCC1=CC(=CC=C1Cl)Cl R594105 [0,1,0,0,0,0|2,0,1]=4 161 B11R1.182 NCCC1=CC(=CC=C1F)F L300276 [0,1,0,0,0,0|2,0,0]=3 162 B11R1.182 NCCC1=CC(=CC=C1N)Cl PH018969 [0,1,0,0,0,0|1,0,0]=2 163 B11R1.182 NCCC1=CC(=CC=C1O)Cl PH019172 [0,1,0,0,0,0|2,0,0]=3 164 B11R1.222 C/C(=N\O)/C1=C(C=CC=C1)N R739189 [0,1,0,0,0,0|2,0,1]=4 165 B11R1.222 CCN(N)C1=CC=CC=C1C PH012201 [0,1,0,0,0,0|2,0,0]=3 166 B11R1.222 CC[C@H](O)C1=CC=CC=C1F PH018898 [0,1,0,0,0,0|1,0,0]=2 167 B11R1.222 CNC(=O)C1=C(C=CC=C1)N PH000108 [0,1,0,0,0,0|1,0,1]=3 168 B11R1.222 CNC(=O)C1=CC=CC=C1C PH005184 [0,1,0,0,0,0|2,0,1]=4 169 B11R1.222 CNC(=O)C1=CC=CC=C1S S662097 [0,1,0,0,0,0|2,0,1]=4 170 B11R1.222 CNC(=S)C1=C(C=CC=C1)N PH001535 [0,1,0,0,0,0|1,0,1]=3 171 B11R1.222 COC(=O)C1=CC=NC=C1N ANV00027 [0,1,0,0,0,0|2,0,1]=4 172 B11R1.222 COC(=O)C1=CN=CC=C1N PHB00050 [0,1,0,0,0,0|2,0,1]=4 173 B11R1.222 NC1=C(C=CC=C1)C(=O)NO PH006839 [0,1,0,0,0,0|2,0,1]=4 174 B11R1.222 NCC(O)C1=CC=CC=C1Br CDS009497 [0,1,0,0,0,0|2,0,0]=3 175 B11R1.605 CCOC1=C(C=CC=C1N)N S767417 [0,1,0,0,0,0|1,0,0]=2 176 B11R1.605 NC1=CC=CC(=C1CCO)Cl PH014566 [0,1,0,0,0,0|1,0,0]=2 177 B11R1.605 NCCC1=C(C=CC=C1F)F T151203 [0,1,0,0,0,0|2,0,0]=3 178 B11R1.605 NNCC1=C(C=CC=C1Cl)Cl S761540 [0,1,0,0,0,0|3,0,0]=4 179 B11R1.605 OCCC1=C(C=CC=C1Cl)Cl PH011763 [0,1,0,0,0,0|2,0,0]=3 180 B11R2.10 CC1=NC2=CC=CN=C2N1 CBR01690 [0,0,0,1,0,0|2,0,1]=4 181 B11R2.10 CC1CC2=C(O1)C=CC=C2 S455830 [0,0,0,1,0,0|1,0,0]=2 182 B11R2.10 CN1CC2=CC=CC=C2C1 PH012966 [0,0,0,1,0,0|2,0,0]=3 183 B11R2.10 N1C(=NC2=C1C=CC=C2)C S447102 [0,0,0,1,0,0|1,0,1]=3 184 B11R2.10 S=C1NC2=C(O1)C=CC=C2 PH000231 [0,0,0,1,0,0|2,0,1]=4 185 B11R2.10 S=C1NC2=C(O1)C=CC=C2 PH000865 [0,0,0,1,0,0|2,0,1]=4 186 B11R2.10 SC1CC2=CC=CC=C2C1 CDS023745 [0,0,0,1,0,0|2,0,0]=3 187 B11R2.20 C1=CC2=C(C=C1)CNCC2 R750530 [0,0,0,1,0,0|2,0,0]=3 188 B11R2.20 C1=CC=C2N=CNCC2=C1 PH008283 [0,0,0,1,0,0|1,0,2]=4 189 B11R2.20 C1=CC=C2OCCNC2=C1 CDS019685 [0,0,0,1,0,0|1,0,0]=2 190 B11R2.20 C1=CN=C2CCCNC2=C1 T316458 [0,0,0,1,0,0|1,0,0]=2 191 B11R2.20 C1=CN=C2NCCCC2=C1 CDS022647 [0,0,0,1,0,0|1,0,0]=2 192 B11R2.20 C1=CN=C2OCCNC2=C1 ADE001247 [0,0,0,1,0,0|2,0,0]=3 193 B11R2.20 C1=CN=C2OCCOC2=C1 ADE000017 [0,0,0,1,0,0|3,0,0]=4 194 B11R2.20 C1=NC=C2CCCNC2=C1 CDS016859 [0,0,0,1,0,0|1,0,0]=2 195 B11R2.20 C1=NC=C2CCCOC2=C1 ADE000002 [0,0,0,1,0,0|2,0,0]=3 196 B11R2.20 C1=NC=C2OCCNC2=C1 ADE001246 [0,0,0,1,0,0|2,0,0]=3 197 B11R2.20 P1CC=CC2=C1C=CC=C2 S835919 [0,0,0,1,0,0|0,1,2]=4 198 B11R2.55 NC1=C(C=CC=C1)C2CC2 CDS021534 [0,0,0,1,0,0|0,0,0]=1 199 B9R1.33 CC1=C(SC=C1)CCN CBR01050 [0,0,0,0,1,0|3,0,0]=4 200 B9R1.33 CN1C=CC=C1CCN CBR01483 [0,0,0,0,1,0|3,0,0]=4 201 B9R1.33 N(C)CC1=CC=CN1C T316350 [0,0,0,0,1,0|3,0,0]=4 202 B8R1.2 Br[Hg]C1=CC=CC=C1 S580678 [2,0,0,0,0,0|2,0,0]=4 203 B8R1.2 C=CC1=CC=CC=C1 S460680 [2,0,0,0,0,0|0,0,2]=4 204 B8R1.2 C=CC1=CC=CC=C1 S461830 [2,0,0,0,0,0|0,0,2]=4 205 B8R1.2 C=CC1=CC=CC=C1 S462152 [2,0,0,0,0,0|0,0,2]=4 206 B8R1.2 I[Hg]C1=CC=CC=C1 S850020 [2,0,0,0,0,0|2,0,0]=4 207 B8R1.2 NCC1=CC=CC=C1 S696684 [2,0,0,0,0,0|1,0,0]=3 208 B8R1.2 NCC1=CN=CC=C1 S763780 [2,0,0,0,0,0|2,0,0]=4 209 B8R1.2 O=[Sb]C1=CC=CC=C1 S727148 [2,0,0,0,0,0|2,0,0]=4 210 B8R1.2 [TlH2]SC1=CC=CC=C1 S828343 [2,0,0,0,0,0|2,0,0]=4 211 B8R1.5 CC1=C(C=NC=C1)Cl T161152 [2,0,0,0,0,0|2,0,0]=4 212 B8R1.5 CC1=CN=CC=C1N CDS003217 [2,0,0,0,0,0|1,0,0]=3 213 B8R1.5 C[N+]1=CC=CC=C1Cl S765678 [2,0,0,0,0,0|2,0,0]=4 214 B8R1.5 C[N+]1=CC=CN=C1N S142433 [2,0,0,0,0,0|2,0,0]=4 215 B8R1.5 NC1=C(C=CC=C1)[S-] L133574 [2,0,0,0,0,0|1,0,0]=3 216 B8R1.5 NC1=C(C=CN=C1)O CDS004728 [2,0,0,0,0,0|2,0,0]=4 217 B8R1.5 NC1=C(C=NC=C1)O ADE000632 [2,0,0,0,0,0|2,0,0]=4 218 B8R1.5 NC1=CC=CC=C1O S378569 [2,0,0,0,0,0|1,0,0]=3 219 B8R1.5 NC1=CC=CC=[N+]1[O-] CDS014426 [2,0,0,0,0,0|2,0,0]=4 220 B8R1.5 NC1=CC=CN=C1O CDS007860 [2,0,0,0,0,0|2,0,0]=4 221 B8R1.5 NC1=CC=NC=C1Cl CDS010711 [2,0,0,0,0,0|2,0,0]=4 222 B10R0.74 C(=O)/C(=C/C=C/CCCC)/C S881708 [0,1,1,0,0,0|1,0,1]=4 223 B10R1.1 CC1=CC=C(C=C1)CNN CBR00829 [1,1,0,0,0,0|2,0,0]=4 224 B10R1.1 CC1=NC=C(C=C1)CCN CDS023206 [1,1,0,0,0,0|2,0,0]=4 225 B10R1.1 CCCC1=CC=C(C=C1)Cl CDS002895 [1,1,0,0,0,0|0,0,0]=2 226 B10R1.1 CCC[N+]1=CC=C(C=C1)C S635588 [1,1,0,0,0,0|1,0,0]=3 227 B10R1.1 CCNC1=CC=C(C=C1)Cl PH011437 [1,1,0,0,0,0|1,0,0]=3 228 B10R1.1 CCOC1=CC=C(C=C1)F S362093 [1,1,0,0,0,0|1,0,0]=3 229 B10R1.1 CCOC1=CC=C(C=C1)N S566292 [1,1,0,0,0,0|1,0,0]=3 230 B10R1.1 CCOC1=NC=C(C=C1)N PH010489 [1,1,0,0,0,0|2,0,0]=4 231 B10R1.1 CCSC1=CC=C(C=C1)C S832812 [1,1,0,0,0,0|1,0,0]=3 232 B10R1.1 CCSC1=CC=C(C=C1)N CBR00879 [1,1,0,0,0,0|1,0,0]=3 233 B10R1.1 CNCC1=CC=C(C=C1)C CDS014661 [1,1,0,0,0,0|1,0,0]=3 234 B10R1.1 CNCC1=CC=C(N=C1)Cl CBR01530 [1,1,0,0,0,0|2,0,0]=4 235 B10R1.1 COCC1=CC=C(C=C1)O S392596 [1,1,0,0,0,0|1,0,0]=3 236 B10R1.1 CSCC1=CC=C(C=C1)Br EME00156 [1,1,0,0,0,0|1,0,0]=3 237 B10R1.1 CSCC1=CC=C(C=C1)Cl S637947 [1,1,0,0,0,0|1,0,0]=3 238 B10R1.1 FC1=CC=C(C=C1)CCCl CDS020717 [1,1,0,0,0,0|1,0,0]=3 239 B10R1.1 NNCC1=CC=C(C=C1)F CBR00828 [1,1,0,0,0,0|2,0,0]=4 240 B10R1.1 [C-]#[N+]CC1=CC=C(C=C1)F PH015018 [1,1,0,0,0,0|1,0,1]=4 241 B10R1.10 C(=O)CC1=CC=CC(=C1)F CDS021826 [1,1,0,0,0,0|1,0,1]=4 242 B10R1.10 CC1=CC(=CC=C1)CNN CBR00827 [1,1,0,0,0,0|2,0,0]=4 243 B10R1.10 CC1=CC=CC(=N1)CCN CBR01608 [1,1,0,0,0,0|2,0,0]=4 244 B10R1.10 CC1=NC(=CC=C1)CCBr CBR02390 [1,1,0,0,0,0|2,0,0]=4 245 B10R1.10 CCCC1=CC(=CC=C1)O CDS001518 [1,1,0,0,0,0|0,0,0]=2 246 B10R1.10 CCNC1=CC=CC(=C1)O PH010496 [1,1,0,0,0,0|1,0,0]=3 247 B10R1.10 CCOC1=CC(=CC=N1)Br CDS009065 [1,1,0,0,0,0|2,0,0]=4 248 B10R1.10 CCOC1=NC(=CC=C1)Cl S446335 [1,1,0,0,0,0|2,0,0]=4 249 B10R1.10 CCSC1=CC=CC(=C1)Br SYX00287 [1,1,0,0,0,0|1,0,0]=3 250 B10R1.10 CNCC1=CC=CC(=N1)N PH015469 [1,1,0,0,0,0|2,0,0]=4 251 B10R1.10 CNCC1=NC(=CC=C1)C S363774 [1,1,0,0,0,0|2,0,0]=4 252 B10R1.10 CNNC1=CC=CC(=C1)Br PH012299 [1,1,0,0,0,0|2,0,0]=4 253 B10R1.10 COCC1=CC=CC(=N1)C S352160 [1,1,0,0,0,0|2,0,0]=4 254 B10R1.10 CSCC1=CC(=CC=C1)Br EME00017 [1,1,0,0,0,0|1,0,0]=3 255 B10R1.10 FC1=CC=CC(=C1)CCBr CDS000178 [1,1,0,0,0,0|1,0,0]=3 256 B10R1.10 NNCC1=CC(=CC=C1)F PHB00030 [1,1,0,0,0,0|2,0,0]=4 257 B10R1.10 NNCC1=CC=CC(=C1)Cl CBR00830 [1,1,0,0,0,0|2,0,0]=4 258 B10R1.10 O=CCC1=CC(=CC=C1)Cl CDS007911 [1,1,0,0,0,0|1,0,1]=4 259 B10R1.10 [C-]#[N+]CC1=CC=CC(=C1)Cl CDS008970 [1,1,0,0,0,0|1,0,1]=4 260 B10R1.15 C=C(OC)C1=CC=CC=C1 PH000315 [1,1,0,0,0,0|1,0,1]=4 261 B10R1.15 CC(CBr)C1=CC=CC=C1 S461210 [1,1,0,0,0,0|1,0,0]=3 262 B10R1.15 CC(NN)C1=CC=CC=C1 PH009827 [1,1,0,0,0,0|2,0,0]=4 263 B10R1.15 CCB(N)C1=CC=CC=C1 S320773 [1,1,0,0,0,0|1,0,0]=3 264 B10R1.15 CCC(=O)C1=NC=CC=C1 CDS007501 [1,1,0,0,0,0|1,0,1]=4 265 B10R1.15 CCC(N)C1=CC=CC=N1 CBR00661 [1,1,0,0,0,0|1,0,0]=3 266 B10R1.15 CCC(N)C1=CC=CN=C1 CBR00143 [1,1,0,0,0,0|1,0,0]=3 267 B10R1.15 CCC(N)C1=CC=NC=C1 CBR01655 [1,1,0,0,0,0|1,0,0]=3 268 B10R1.15 CCN(C)C1=CC=CC=C1 R750956 [1,1,0,0,0,0|1,0,0]=3 269 B10R1.15 CCN(N)C1=CC=CC=C1 PH010945 [1,1,0,0,0,0|1,0,0]=3 270 B10R1.15 CNC(C)C1=CC=CC=C1 CDS010605 [1,1,0,0,0,0|1,0,0]=3 271 B10R1.15 CNC(C)C1=CC=CC=C1 T172782 [1,1,0,0,0,0|1,0,0]=3 272 B10R1.15 CSC(=O)C1=CC=CC=C1 S918059 [1,1,0,0,0,0|1,0,1]=4 273 B10R1.15 ClCC(Cl)C1=CC=CC=C1 PH010970 [1,1,0,0,0,0|1,0,0]=3 274 B10R1.15 NC(CO)C1=CC=CC=C1 CDS003505 [1,1,0,0,0,0|1,0,0]=3 275 B10R1.15 NC(CO)C1=CC=CN=C1 CDS010268 [1,1,0,0,0,0|2,0,0]=4 276 B10R1.15 NCC(Cl)C1=CC=CC=C1 PH012604 [1,1,0,0,0,0|1,0,0]=3 277 B10R1.15 OC(CBr)C1=CC=CC=N1 PH013752 [1,1,0,0,0,0|2,0,0]=4 278 B10R1.17 BrCCNC1=CC=CC=C1 S374776 [1,1,0,0,0,0|1,0,0]=3 279 B10R1.17 BrCCSC1=CC=CC=C1 PH011242 [1,1,0,0,0,0|1,0,0]=3 280 B10R1.17 C(=C/SC1=CC=CC=C1)\C T281522 [1,1,0,0,0,0|0,0,2]=4 281 B10R1.17 C(=C\C1=CC=CC=C1)\CN S302880 [1,1,0,0,0,0|0,0,2]=4 282 B10R1.17 C(=O)CSC1=CC=CC=C1 T216623 [1,1,0,0,0,0|1,0,1]=4 283 B10R1.17 C/C=C/SC1=CC=CC=C1 T282642 [1,1,0,0,0,0|0,0,2]=4 284 B10R1.17 C=CCSC1=CC=CC=C1 S614246 [1,1,0,0,0,0|0,0,2]=4 285 B10R1.17 CCCC[N+]1=CC=CC=C1 CDS000353 [1,1,0,0,0,0|1,0,0]=3 286 B10R1.17 CCNCC1=NC=CC=C1 CBR00044 [1,1,0,0,0,0|1,0,0]=3 287 B10R1.17 CNCCC1=CC=NC=C1 CDS007517 [1,1,0,0,0,0|1,0,0]=3 288 B10R1.17 CNCCC1=NC=CC=C1 R750492 [1,1,0,0,0,0|1,0,0]=3 289 B10R1.17 COCCC1=CC=NC=C1 PH007374 [1,1,0,0,0,0|1,0,0]=3 290 B10R1.17 CSC=CC1=CC=CC=C1 S332976 [1,1,0,0,0,0|0,0,2]=4 291 B10R1.17 CSCCC1=NC=CC=C1 PH007369 [1,1,0,0,0,0|1,0,0]=3 292 B10R1.17 ClCCCC1=CC=CC=N1 CDS021720 [1,1,0,0,0,0|1,0,0]=3 293 B10R1.17 N#CCCC1=NC=CC=C1 CBR00364 [1,1,0,0,0,0|1,0,1]=4 294 B10R1.17 N#CCNC1=CC=CC=C1 CDS003237 [1,1,0,0,0,0|1,0,1]=4 295 B10R1.17 NCCCC1=CN=CN=C1 PH019029 [1,1,0,0,0,0|2,0,0]=4 296 B10R1.17 NNCCC1=CC=CC=C1 CDS015167 [1,1,0,0,0,0|1,0,0]=3 297 B10R1.17 NNCCC1=CC=CN=C1 PH019024 [1,1,0,0,0,0|2,0,0]=4 298 B10R1.17 [C-]#[N+]CCC1=NC=CC=C1 PH015418 [1,1,0,0,0,0|1,0,1]=4 299 B10R1.17 [SiH3]CCCC1=CC=CC=C1 S833584 [1,1,0,0,0,0|0,0,0]=2 300 B10R1.18 BrC(Br)[Hg]C1=CC=CC=C1 S110507 [1,1,0,0,0,0|2,0,0]=4 301 B10R1.18 C=C(C)CC1=CC=CC=C1 PH015451 [1,1,0,0,0,0|0,0,1]=3 302 B10R1.18 CC(=O)CC1=CC=CC=N1 CDS009231 [1,1,0,0,0,0|1,0,1]=4 303 B10R1.18 CC(=O)CC1=CC=CN=C1 CBR01416 [1,1,0,0,0,0|1,0,1]=4 304 B10R1.18 CC(=O)C[N+]1=CC=CC=C1 S596604 [1,1,0,0,0,0|1,0,1]=4 305 B10R1.18 CC(=O)C[N+]1=CC=CC=C1 S616583 [1,1,0,0,0,0|1,0,1]=4 306 B10R1.18 CC(C)NC1=NC=CC=C1 EME00318 [1,1,0,0,0,0|2,0,0]=4 307 B10R1.18 CC(N)CC1=CN=CC=C1 CBR01601 [1,1,0,0,0,0|1,0,0]=3 308 B10R1.18 CN(C)CC1=CC=CC=C1 S503916 [1,1,0,0,0,0|1,0,0]=3 309 B10R1.18 CN(C)CC1=CC=CC=C1 S942987 [1,1,0,0,0,0|1,0,0]=3 310 B10R1.18 CN(C)CC1=CC=CC=N1 S360821 [1,1,0,0,0,0|2,0,0]=4 311 B10R1.18 CN(N)CC1=CC=CC=C1 PH000424 [1,1,0,0,0,0|1,0,0]=3 312 B10R1.18 C[N+](=CC1=CC=CC=C1)[O-] S387916 [1,1,0,0,0,0|1,0,1]=4 313 B10R1.18 O=N(=O)CC1=CC=CC=C1 MNO000012 [1,1,0,0,0,0|2,0,0]=4 314 B10R1.2 CC1=C(C(=CC=C1)CBr)C CDS022040 [1,1,0,0,0,0|2,0,0]=4 315 B10R1.2 CC1=C(C=CC=C1CO)Cl CDS023048 [1,1,0,0,0,0|2,0,0]=4 316 B10R1.2 COC1=C(C(=CC=C1)C)O L167932 [1,1,0,0,0,0|2,0,0]=4 317 B10R1.2 COC1=C(C(=NC=C1)N)N PH019206 [1,1,0,0,0,0|2,0,0]=4 318 B10R1.2 COC1=CC=CC(=C1Cl)O CDS004291 [1,1,0,0,0,0|2,0,0]=4 319 B10R1.2 COC1=CC=CC(=C1N)Br CDS022850 [1,1,0,0,0,0|1,0,0]=3 320 B10R1.2 ClC1=C(C(=CC=C1)CBr)Cl CDS003275 [1,1,0,0,0,0|2,0,0]=4 321 B10R1.2 ClCC1=CC=CC(=C1Cl)Cl CDS013551 [1,1,0,0,0,0|2,0,0]=4 322 B10R1.2 FC1=C(C=CC=C1CBr)Cl CDS003049 [1,1,0,0,0,0|2,0,0]=4 323 B10R1.2 OCC1=C(C(=CC=C1)Cl)F CDS021698 [1,1,0,0,0,0|2,0,0]=4 324 B10R1.2 OCC1=CC=CC(=C1F)Br CDS016758 [1,1,0,0,0,0|2,0,0]=4 325 B10R1.20 C=CC1=C(C=CC=C1)CO R751626 [1,1,0,0,0,0|2,0,0]=4 326 B10R1.20 CNC1=CC=CC=C1C#N PH010322 [1,1,0,0,0,0|1,0,1]=4 327 B10R1.20 CNC1=CC=CC=C1CN PH016819 [1,1,0,0,0,0|1,0,0]=3 328 B10R1.20 CNC1=CC=CN=C1NC PH018784 [1,1,0,0,0,0|2,0,0]=4 329 B10R1.20 COC1=CC=CC=C1NN S264407 [1,1,0,0,0,0|1,0,0]=3 330 B10R1.20 COC1=CC=CC=C1[Hg]Cl S826243 [1,1,0,0,0,0|2,0,0]=4 331 B10R1.20 CSC1=C(C=CC=C1)CCl OTV000976 [1,1,0,0,0,0|2,0,0]=4 332 B10R1.20 CSC1=CC=CC=C1CO PH002490 [1,1,0,0,0,0|2,0,0]=4 333 B10R1.25 CC1=C(C=CC(=C1)Cl)CN CDS002975 [1,1,0,0,0,0|2,0,0]=4 334 B10R1.25 CC1=CC(=C(C=C1)CBr)C CDS022039 [1,1,0,0,0,0|2,0,0]=4 335 B10R1.25 CC1=CC(=C(C=C1)CCl)C T330094 [1,1,0,0,0,0|2,0,0]=4 336 B10R1.25 CC[N+]1=CC=C(C=C1C)C S635375 [1,1,0,0,0,0|2,0,0]=4 337 B10R1.25 COC1=C(C=C(C=C1)Br)Cl EME00072 [1,1,0,0,0,0|2,0,0]=4 338 B10R1.25 COC1=C(C=C(C=C1)N)N CDS000395 [1,1,0,0,0,0|1,0,0]=3 339 B10R1.25 COC1=CC=C(C=C1N)Cl S392308 [1,1,0,0,0,0|1,0,0]=3 340 B10R1.25 COC1=CC=C(C=C1O)Br PH011786 [1,1,0,0,0,0|2,0,0]=4 341 B10R1.25 COC1=CC=C(C=C1O)F CDS003450 [1,1,0,0,0,0|2,0,0]=4 342 B10R1.25 COC1=NC=C(C=C1N)Br ADE000451 [1,1,0,0,0,0|2,0,0]=4 343 B10R1.25 FC1=CC(=CC=C1CS)Cl CDS003831 [1,1,0,0,0,0|2,0,0]=4 344 B10R1.25 FC1=CC=C(C(=C1)Cl)CBr CDS001435 [1,1,0,0,0,0|2,0,0]=4 345 B10R1.25 NCC1=CC=C(C=C1F)Br CDS003182 [1,1,0,0,0,0|2,0,0]=4 346 B10R1.25 OCC1=C(C=C(C=C1)F)Br CDS021543 [1,1,0,0,0,0|2,0,0]=4 347 B10R1.30 C#CC1=C(C=CC(=C1)C)N RNI00125 [1,1,0,0,0,0|0,0,2]=4 348 B10R1.30 CC1=C(C=C(C=C1)F)CO CDS010632 [1,1,0,0,0,0|2,0,0]=4 349 B10R1.30 CC1=CC(=C(C=C1)C)CN PH011334 [1,1,0,0,0,0|2,0,0]=4 350 B10R1.30 CC1=CC(=C(C=C1)C)CO PH017013 [1,1,0,0,0,0|2,0,0]=4 351 B10R1.30 CC1=CC=C(C=C1CN)Cl CDS002947 [1,1,0,0,0,0|2,0,0]=4 352 B10R1.30 CCC1=C(C=CC(=C1)Br)O OTV000158 [1,1,0,0,0,0|1,0,0]=3 353 B10R1.30 CCC1=C(C=CC(=N1)Cl)C CBR01609 [1,1,0,0,0,0|2,0,0]=4 354 B10R1.30 CCC1=CC(=CC=C1N)Cl CBR02409 [1,1,0,0,0,0|0,0,0]=2 355 B10R1.30 CCC1=CC(=CC=C1O)C JRD0413 [1,1,0,0,0,0|1,0,0]=3 356 B10R1.30 CCC1=CC(=CC=C1O)Cl JRD0412 [1,1,0,0,0,0|1,0,0]=3 357 B10R1.30 CCC1=CC(=CC=C1O)F CBR00179 [1,1,0,0,0,0|1,0,0]=3 358 B10R1.30 CNC1=CC(=CC=C1Cl)Cl PH010253 [1,1,0,0,0,0|2,0,0]=4 359 B10R1.30 COC1=CC(=CC=C1F)Br CDS003857 [1,1,0,0,0,0|2,0,0]=4 360 B10R1.30 COC1=CC(=CC=C1F)N CDS003196 [1,1,0,0,0,0|2,0,0]=4 361 B10R1.30 COC1=CC(=CC=C1I)C CDS021197 [1,1,0,0,0,0|2,0,0]=4 362 B10R1.30 COC1=CC(=CC=C1O)N CBR01618 [1,1,0,0,0,0|2,0,0]=4 363 B10R1.30 COC1=CC(=O)C=CC1=O PH009842 [1,1,0,0,0,0|2,0,0]=4 364 B10R1.30 CSC1=CC(=CC=C1Cl)Cl S393142 [1,1,0,0,0,0|2,0,0]=4 365 B10R1.30 ClC1=CC(=C(C=C1)Br)CBr PH000507 [1,1,0,0,0,0|2,0,0]=4 366 B10R1.30 FC1=CC=C(C(=C1)CBr)Br CDS003096 [1,1,0,0,0,0|2,0,0]=4 367 B10R1.30 NC1=C(C=C(C=C1)Br)C=O PHB00107 [1,1,0,0,0,0|1,0,1]=4 368 B10R1.30 NC1=CC=C(C=C1C=O)Cl CDS015233 [1,1,0,0,0,0|1,0,1]=4 369 B10R1.30 NC1=NC=C(C=C1CO)I ADE000278 [1,1,0,0,0,0|2,0,0]=4 370 B10R1.30 NCC1=CC(=CC=C1Cl)Br CDS023703 [1,1,0,0,0,0|2,0,0]=4 371 B10R1.30 NCC1=CC(=CC=C1O)F CDS015898 [1,1,0,0,0,0|2,0,0]=4 372 B10R1.30 OCC1=CC(=CC=C1Br)Cl CDS022960 [1,1,0,0,0,0|2,0,0]=4 373 B10R1.30 OCC1=CC(=CC=C1O)Cl S548480 [1,1,0,0,0,0|2,0,0]=4 374 B10R1.61 C=C(C)C1=C(C=CC=C1)Cl PH015499 [1,1,0,0,0,0|1,0,1]=4 375 B10R1.61 CC(C)C1=C(C=CC=C1)Br T330086 [1,1,0,0,0,0|1,0,0]=3 376 B10R1.61 CC(N)C1=C(C=CC=C1)F CDS004461 [1,1,0,0,0,0|1,0,0]=3 377 B10R1.61 CC(N)C1=CC=CC=C1Cl CDS007479 [1,1,0,0,0,0|1,0,0]=3 378 B10R1.61 CC(O)C1=CC=CC=C1Br S412627 [1,1,0,0,0,0|1,0,0]=3 379 B10R1.61 CC(O)C1=CC=CC=[N+]1C S236144 [1,1,0,0,0,0|2,0,0]=4 380 B10R1.61 CC1=CC=CC=C1C(C)N CDS004159 [1,1,0,0,0,0|1,0,0]=3 381 B10R1.61 CC1=CC=CN=C1C(C)N CBR00418 [1,1,0,0,0,0|2,0,0]=4 382 B10R1.61 CN(C)C1=C(C=CC=C1)Cl CDS003001 [1,1,0,0,0,0|2,0,0]=4 383 B10R1.61 CS(=O)C1=CC=CC=C1O CDS005411 [1,1,0,0,0,0|2,0,0]=4 384 B10R1.61 C[C@@H](N)C1=CC=CC=C1O CDS019933 [1,1,0,0,0,0|1,0,0]=3 385 B10R1.61 FC1=C(C=CC=C1)C(F)F MNO000027 [1,1,0,0,0,0|2,0,0]=4 386 B10R1.245 CC1=C(C(=CC=C1)Cl)CN CDS000918 [1,1,0,0,0,0|2,0,0]=4 387 B10R1.245 CC1=CC=CC(=C1CBr)C CDS022041 [1,1,0,0,0,0|2,0,0]=4 388 B10R1.245 CC1=CC=CC(=C1CBr)F CDS020960 [1,1,0,0,0,0|2,0,0]=4 389 B10R1.245 CC1=CC=CC(=C1CO)C PH002994 [1,1,0,0,0,0|2,0,0]=4 390 B10R1.245 COC1=C(C=CC=C1Br)N CDS023930 [1,1,0,0,0,0|1,0,0]=3 391 B10R1.245 COC1=C(C=CC=C1Cl)F CDS002901 [1,1,0,0,0,0|2,0,0]=4 392 B10R1.245 FC1=CC=CC(=C1CS)F CDS006153 [1,1,0,0,0,0|2,0,0]=4 393 B10R1.245 NCC1=C(C=CC=C1Cl)Cl L480827 [1,1,0,0,0,0|2,0,0]=4 394 B10R1.5 CCCN1C=CN=C1CN CBR01646 [0,1,0,0,1,0|2,0,0]=4 395 B10R1.5 CCCN1C=CN=C1CN CDS022832 [0,1,0,0,1,0|2,0,0]=4 396 B10R1.94 CCCN1N=CC(=C1N)C CBR01168 [0,1,0,0,1,0|2,0,0]=4 397 B12R1.24 CCC(=O)C1=CC=CC(=C1O)C PH003571 [0,2,0,0,0,0|1,0,1]=4 398 B12R1.24 COC(=O)C1=C(C(=CC=C1)C)N CDS022209 [0,2,0,0,0,0|1,0,1]=4 399 B12R1.24 COC(=O)C1=CC=CC(=C1N)F CDS023662 [0,2,0,0,0,0|1,0,1]=4 400 B12R1.24 COC(=O)C1=CC=CC(=C1N)N CDS019676 [0,2,0,0,0,0|1,0,1]=4 401 B12R1.25 CC1=CC=CC(=C1C)OCCBr PH010193 [0,2,0,0,0,0|2,0,0]=4 402 B12R1.224 CC1=CC=CC(=C1O)CN(C)C PH019066 [0,2,0,0,0,0|2,0,0]=4 403 B12R1.224 CN(C)CC1=C(C(=CC=C1)F)O PH019178 [0,2,0,0,0,0|2,0,0]=4 404 B12R1.224 CN(C)CC1=CC=CC(=C1O)Cl PH018977 [0,2,0,0,0,0|2,0,0]=4 405 B12R1.224 CN(N)CC1=CC=CC(=C1Cl)Cl PH001312 [0,2,0,0,0,0|2,0,0]=4 406 B12R1.280 CCCC1=C(C(=CC=C1)C=O)O ASX00140 [0,2,0,0,0,0|1,0,0]=3 407 B12R1.69 CC1=CC(=C(C=C1)OCCN)Br R414468 [0,2,0,0,0,0|2,0,0]=4 408 B12R1.69 CC1=CC(=C(C=C1)OCCN)C R414352 [0,2,0,0,0,0|2,0,0]=4 409 B12R1.69 COCC[N+]1=CC=C(C=C1C)C S623091 [0,2,0,0,0,0|2,0,0]=4 410 B12R1.69 ClC1=CC(=C(C=C1)OCCBr)Cl VBP00009 [0,2,0,0,0,0|2,0,0]=4 411 B12R1.69 NC1=CC(=C(C=C1)SCCO)N R284440 [0,2,0,0,0,0|1,0,0]=3 412 B12R1.69 NC1=CC=C(C(=C1)N)OCCO S457817 [0,2,0,0,0,0|1,0,0]=3 413 B12R1.69 OCCCC1=C(C=C(C=C1)Cl)Cl PH017193 [0,2,0,0,0,0|1,0,0]=3 414 B12R1.121 CCC1=CC=CC=C1NCCO S361496 [0,2,0,0,0,0|2,0,0]=4 415 B12R1.121 CCCOC1=CC=CC=C1CO CDS022874 [0,2,0,0,0,0|1,0,0]=3 416 B12R1.121 COC1=C(C=CC=C1)CCCO S97595 [0,2,0,0,0,0|1,0,0]=3 417 B12R1.121 COC1=C(C=CC=C1)OCCN CDS000191 [0,2,0,0,0,0|2,0,0]=4 418 B12R1.121 COC1=C(C=CC=C1)OCCN PH009790 [0,2,0,0,0,0|2,0,0]=4 419 B12R1.121 COC1=CC=CC=C1CCCBr PH009801 [0,2,0,0,0,0|1,0,0]=3 420 B12R1.121 COC1=CC=CC=C1CCCN CDS008328 [0,2,0,0,0,0|1,0,0]=3 421 B12R1.121 COC1=CC=CC=C1OCCCl R549363 [0,2,0,0,0,0|2,0,0]=4 422 B12R1.121 COCOC1=C(C=CC=C1)C=O PH008423 [0,2,0,0,0,0|2,0,0]=4 423 B12R1.121 O=CC1=C(C=CC=C1)OCCO CDS000425 [0,2,0,0,0,0|2,0,0]=4 424 B12R1.125 C=C(C)COC1=CC=CC=C1Cl PH007539 [0,2,0,0,0,0|1,0,1]=4 425 B12R1.125 C=C(C)CSC1=CC=CC=C1C S722219 [0,2,0,0,0,0|1,0,1]=4 426 B12R1.125 CC(=O)COC1=C(C=CC=C1)Br OTV000351 [0,2,0,0,0,0|1,0,1]=4 427 B12R1.125 CC(O)COC1=CC=CC=C1Cl PH006972 [0,2,0,0,0,0|1,0,0]=3 428 B12R1.125 CC1=C(C=CC=C1)OCC(C)O PH016252 [0,2,0,0,0,0|1,0,0]=3 429 B12R1.125 CC1=CC=CC=C1CNC(C)C CDS011840 [0,2,0,0,0,0|1,0,0]=3 430 B12R1.125 N=C(N)CCC1=C(C=CC=C1)Cl PH015728 [0,2,0,0,0,0|1,0,1]=4 431 B12R1.125 O=C(O)CCC1=C(C=CC=C1)Cl PH000054 [0,2,0,0,0,0|1,0,1]=4 432 B12R1.267 BrCCCOC1=C(C=CC=C1)Br PH011151 [0,2,0,0,0,0|1,0,0]=3 433 B12R1.267 C/C=C/CSC1=CC=CC=C1C S746231 [0,2,0,0,0,0|1,0,1]=4 434 B12R1.267 CC1=CC=CC=C1NCCC#N S365092 [0,2,0,0,0,0|1,0,1]=4 435 B12R1.267 CC1=CC=CC=C1OCCCBr PH000372 [0,2,0,0,0,0|1,0,0]=3 436 B12R1.267 CCCCOC1=CC=CC=C1C S518476 [0,2,0,0,0,0|1,0,0]=3 437 B12R1.267 CCCCOC1=CC=CC=C1N CDS001693 [0,2,0,0,0,0|0,0,0]=2 438 B12R1.267 CCCCON1C=CC=CC1=O T300780 [0,2,0,0,0,0|2,0,0]=4 439 B12R1.267 CCCNCC1=CC=CC=C1N PH010097 [0,2,0,0,0,0|0,0,0]=2 440 B12R1.267 CNCCOC1=CC=CC=C1C PH012062 [0,2,0,0,0,0|1,0,0]=3 441 B12R1.267 COCCOC1=C(C=CC=C1)N CBR00261 [0,2,0,0,0,0|0,0,0]=2 442 B12R1.267 ClC1=C(C=CC=C1)OCCCBr PH000248 [0,2,0,0,0,0|1,0,0]=3 443 B12R1.267 N#CCCNC1=CC=CC=C1Cl PH003692 [0,2,0,0,0,0|1,0,1]=4 444 B12R1.308 C=CCC(N)C1=C(C=CC=C1)Cl PH014964 [0,2,0,0,0,0|1,0,1]=4 445 B12R1.308 CCCC(C)C1=CC=CC=C1O S371343 [0,2,0,0,0,0|1,0,0]=3 446 B12R1.308 CCNC(=O)C1=C(C=CC=C1)C R467715 [0,2,0,0,0,0|1,0,1]=4 447 B12R1.308 CCOC(=O)C1=C(C=CC=C1)F PH014251 [0,2,0,0,0,0|1,0,1]=4 448 B12R1.371 CCC(=O)NC1=C(C=CC=C1)Cl R131482 [0,2,0,0,0,0|1,0,1]=4 449 B12R1.371 CCN(N)CC1=C(C=CC=C1)Br PH000635 [0,2,0,0,0,0|1,0,0]=3 450 B12R1.371 CNC(C)CC1=NC=CC=C1C PH015005 [0,2,0,0,0,0|2,0,0]=4 451 B12R1.371 COC(=O)CC1=C(C=CC=C1)Cl EME00173 [0,2,0,0,0,0|1,0,1]=4 452 B12R1.371 COC(=O)CC1=CC=CC=C1Br CDS003546 [0,2,0,0,0,0|1,0,1]=4 453 B12R1.371 COC(=O)CC1=CC=CC=C1F VBP00089 [0,2,0,0,0,0|1,0,1]=4 454 B12R1.374 CC1=CC(=C(C=C1)C)OCCBr PH000371 [0,2,0,0,0,0|2,0,0]=4 455 B12R1.374 CC1=CC=C(C(=C1)CCNN)C PH019452 [0,2,0,0,0,0|2,0,0]=4 456 B12R1.374 CCCOC1=CC(=CC=C1N)C CDS012021 [0,2,0,0,0,0|0,0,0]=2 457 B12R1.374 CSCSC1=CC(=CC=C1Cl)Cl S393622 [0,2,0,0,0,0|2,0,0]=4 458 B12R1.374 NC1=C(C=C(C=N1)F)CCCO ADE000128 [0,2,0,0,0,0|1,0,0]=3 459 B12R1.374 NC1=NC=C(C=C1CCCO)I ADE000773 [0,2,0,0,0,0|1,0,0]=3 460 B12R1.374 OCCCC1=C(N=CC(=C1)F)Cl ADE000131 [0,2,0,0,0,0|2,0,0]=4 461 B12R1.374 OCCCC1=C(N=CC(=C1)F)O ADE000130 [0,2,0,0,0,0|2,0,0]=4 462 B12R1.1631 CC1=CC=CC(=C1NCCN)C PH002687 [0,2,0,0,0,0|2,0,0]=4 463 B12R1.1631 CC1=CC=CC(=C1OCCN)C OTV000226 [0,2,0,0,0,0|2,0,0]=4 464 B12R1.1631 CC1=CC=CC(=C1OCCN)C R414344 [0,2,0,0,0,0|2,0,0]=4 465 B12R1.1631 NCCCC1=C(C=CC=C1F)F CDS022487 [0,2,0,0,0,0|1,0,0]=3 466 B12R1.1631 OCCOC1=C(C=CC=C1Cl)Cl S597325 [0,2,0,0,0,0|2,0,0]=4 467 B12R1.75 C(=O)C1=C(C=CC=C1)OC(C)C CDS002654 [0,2,0,0,0,0|2,0,0]=4 468 B12R1.75 CN(C)CC1=CC=CC=C1C=O CDS011836 [0,2,0,0,0,0|2,0,0]=4 469 B12R1.75 CNC1=NC=CC=C1OC(C)C PH014643 [0,2,0,0,0,0|2,0,0]=4 470 B12R1.75 COC1=CC=CC=C1CN(C)N PH007520 [0,2,0,0,0,0|2,0,0]=4 471 B12R1.75 CSC1=CC=CC=C1CN(C)N PH013334 [0,2,0,0,0,0|2,0,0]=4 472 B12R1.77 CC[C@H](N)C1=CC=CC=C1OC CDS015715 [0,2,0,0,0,0|1,0,0]=3 473 B12R1.77 CNC(=O)C1=CC=CC=C1NC PH013025 [0,2,0,0,0,0|1,0,1]=4 474 B12R1.77 CNC(=S)C1=CC=CC=C1NC PH007472 [0,2,0,0,0,0|1,0,1]=4 475 B12R1.77 COC(=O)C1=CC=CC=C1CN CDS002791 [0,2,0,0,0,0|1,0,1]=4 476 B12R1.112 C(=O)C1=C(C=CC(=C1)Br)OCC T341215 [0,2,0,0,0,0|2,0,0]=4 477 B12R1.112 CCOC1=C(C=C(C=C1)N)C#N CBR01501 [0,2,0,0,0,0|1,0,1]=4 478 B12R1.112 CCOC1=CC=C(C=C1C=O)Cl CDS020893 [0,2,0,0,0,0|2,0,0]=4 479 B12R1.169 BrCCC1=CC=CC=C1CCBr R580341 [0,2,0,0,0,0|2,0,0]=4 480 B12R1.169 C(=O)NC1=C(C=CC=C1)OCC S516651 [0,2,0,0,0,0|1,0,0]=3 481 B12R1.169 CCOC1=C(C=CC=C1)/C=N\O L169870 [0,2,0,0,0,0|1,0,1]=4 482 B12R1.169 CCOC1=CC=CC=C1CC#N PH011505 [0,2,0,0,0,0|1,0,1]=4 483 B12R1.169 CCOC1=CC=CC=C1N=C=S TMT00525 [0,2,0,0,0,0|1,0,1]=4 484 B12R1.169 CCOC1=CC=CC=C1OCC S430218 [0,2,0,0,0,0|2,0,0]=4 485 B12R1.268 CCOC1=CC(=CC=C1C=O)F CDS002377 [0,2,0,0,0,0|2,0,0]=4 486 B12R1.268 CCOC1=CC(=CC=C1OC)O S330612 [0,2,0,0,0,0|2,0,0]=4 487 B12R1.283 CCNC1=CC=CC=C1C(=O)O S668524 [0,2,0,0,0,0|2,0,0]=4 488 B12R1.283 CCSC1=CC=CC=C1[N+](=O)[O-] PH008699 [0,2,0,0,0,0|1,0,1]=4 489 B12R1.114 C(=O)C1=CC(=C(C=C1)OCC)Br CDS021544 [0,2,0,0,0,0|2,0,0]=4 490 B12R1.114 CCC1=CC=C(C(=C1)F)CCN PH018892 [0,2,0,0,0,0|2,0,0]=4 491 B12R1.114 CCNC1=CC=C(C=C1C)N=O PH007091 [0,2,0,0,0,0|2,0,0]=4 492 B12R1.114 CCOC1=C(C=C(C=C1)CO)Cl CBR00273 [0,2,0,0,0,0|2,0,0]=4 493 B12R1.114 CCOC1=CC=C(C=C1C)C=O CDS022250 [0,2,0,0,0,0|2,0,0]=4 494 B12R1.233 CC(=O)CC1=CC=C(C=C1C)C R226734 [0,2,0,0,0,0|1,0,1]=4 495 B12R1.233 CC(C)OC1=C(C=C(C=C1)N)Cl CDS002313 [0,2,0,0,0,0|2,0,0]=4 496 B12R1.233 CC(C)OC1=CC=C(C=C1O)Cl PH018757 [0,2,0,0,0,0|2,0,0]=4 497 B12R1.233 CC(C)OC1=CC=C(C=C1O)F PH018775 [0,2,0,0,0,0|2,0,0]=4 498 B12R1.233 CN(N)CC1=CC=C(C=C1Cl)Cl PH001217 [0,2,0,0,0,0|2,0,0]=4 499 B12R1.1095 CCOC1=C(C=C(C=C1Br)N)F CDS024366 [0,2,0,0,0,0|2,0,0]=4 500 B12R1.1703 CCC(=O)C1=C(C=C(C=C1)Br)O PH006805 [0,2,0,0,0,0|1,0,1]=4 501 B12R1.1703 CCC(=O)C1=CC=C(C=C1Cl)Cl S757217 [0,2,0,0,0,0|1,0,1]=4 502 B12R1.1703 CCC(=O)C1=CC=C(C=C1O)F JRD0661 [0,2,0,0,0,0|1,0,1]=4 503 B12R1.1703 COC(=O)C1=CC=C(C=C1N)Br CDS022573 [0,2,0,0,0,0|1,0,1]=4 504 B12R1.1703 COC(=O)C1=CC=C(C=C1N)F CDS023419 [0,2,0,0,0,0|1,0,1]=4 505 B12R1.1703 NC(CO)C1=CC=C(C=C1F)F PH018503 [0,2,0,0,0,0|2,0,0]=4 506 B12R1.1703 OC(CCl)C1=CC=C(C=C1Cl)Cl R426784 [0,2,0,0,0,0|2,0,0]=4 507 B12R1.124 CC1=CC=CC=C1C(=O)C(C)C PH001066 [0,2,0,0,0,0|1,0,1]=4 508 B12R1.127 CC(C)OC1=CC(=CC=C1Br)F CDS023353 [0,2,0,0,0,0|2,0,0]=4 509 B12R1.127 CC1=CC=C(C(=C1)CN(C)C)O PH019553 [0,2,0,0,0,0|2,0,0]=4 510 B12R1.127 CN(C)CC1=C(C=CC(=C1)Cl)O PH002200 [0,2,0,0,0,0|2,0,0]=4 511 B12R1.127 CN(C)CC1=CC(=CC=C1Br)O CDS022289 [0,2,0,0,0,0|2,0,0]=4 512 B12R1.151 CC(C)(C)SC1=C(C=CN=C1)N ADE000291 [0,2,0,0,0,0|2,0,0]=4 513 B12R1.151 CC(C)(C)SC1=CC=CN=C1N ADE000271 [0,2,0,0,0,0|2,0,0]=4 514 B12R1.1009 CN(C)CC1=C(C=CC=C1F)O PH018981 [0,2,0,0,0,0|2,0,0]=4 515 B12R1.1009 CN(N)CC1=C(C=CC=C1Cl)Cl PH007582 [0,2,0,0,0,0|2,0,0]=4 516 B12R1.354 CCC(=O)C1=C(C=CC(=C1)Cl)O PH011673 [0,2,0,0,0,0|1,0,1]=4 517 B12R1.354 CCC(=O)C1=C(C=CC(=C1)O)O S372315 [0,2,0,0,0,0|1,0,1]=4 518 B12R1.354 CCC(=O)C1=CC(=CC=C1Cl)Cl OTV000286 [0,2,0,0,0,0|1,0,1]=4 519 B12R1.354 CNC(=O)C1=CC(=CC=C1N)Cl PH011224 [0,2,0,0,0,0|1,0,1]=4 520 B12R1.354 COC(=O)C1=C(C=CC(=C1)C)N PH006897 [0,2,0,0,0,0|1,0,1]=4 521 B12R1.195 CC(C)(CN)C1=CC=CC=C1F OTV000631 [0,2,0,0,0,0|2,0,0]=4 522 B12R1.243 CC/C(=N\O)/C1=C(C=CC=C1)O PH004373 [0,2,0,0,0,0|1,0,1]=4 523 B12R1.243 CCN(N=O)C1=CC=CC=C1C PH007144 [0,2,0,0,0,0|2,0,0]=4 524 B12R1.3441 COC(=O)C1=C(C=CC=C1N)F CDS021736 [0,2,0,0,0,0|1,0,1]=4 525 B10R1.78 C=C1C=CC=CCCCC1 T211605 [0,0,1,1,0,0|1,0,1]=4 526 B10R1.78 O=C1C=CC=CCCCC1 T211648 [0,0,1,1,0,0|1,0,1]=4 527 B10R1.11 CCCC(=O)C1=CC=CO1 S593230 [0,0,1,1,0,0|2,0,0]=4 528 B10R1.11 CCCC(=O)C1=CC=CS1 S410160 [0,0,1,1,0,0|2,0,0]=4 529 B10R1.11 CCOC(=O)C1=CC=CN1 CDS000975 [0,0,1,1,0,0|2,0,0]=4 530 B10R2.7 C1=CC2=C(C=C1)SCN2 S659142 [1,0,0,1,0,0|2,0,0]=4 531 B10R2.7 C1=CC2=[N+](C=C1)CCO2 T161225 [1,0,0,1,0,0|2,0,0]=4 532 B10R2.320 O=C1CC2=C1C=CC=C2 T205540 [1,0,0,1,0,0|1,0,1]=4 533 B12R2.82 CC1=C(C2=C(C=C1)CCC2)O T164534 [0,1,0,1,0,0|1,0,0]=3 534 B12R2.202 CC1=CC2=CC=CC(=C2O1)N CBR00813 [0,1,0,1,0,0|1,0,1]=4 535 B12R2.202 CN1N=C2C=CC=C(C2=N1)N CBR01757 [0,1,0,1,0,0|2,0,0]=4 536 B12R2.202 O=C1CC2=C(N1)C(=CC=C2)I PH016779 [0,1,0,1,0,0|1,0,1]=4 537 B12R2.1081 BrC1=C2NCCOC2=CN=C1 ADE001262 [0,1,0,1,0,0|2,0,0]=4 538 B12R2.1081 BrC1=CC=CC2=C1CCCC2 CDS007742 [0,1,0,1,0,0|1,0,0]=3 539 B12R2.1081 BrC1=CC=CC2=C1OCCO2 VBP00024 [0,1,0,1,0,0|2,0,0]=4 540 B12R2.1081 CC1=CC=CC2=C1NCCC2 CDS013606 [0,1,0,1,0,0|0,0,0]=2 541 B12R2.1081 CC1=NCCC2=CC=CC=C12 T305197 [0,1,0,1,0,0|2,0,0]=4 542 B12R2.1081 IC1=C2OCCCC2=CN=C1 ADE000003 [0,1,0,1,0,0|2,0,0]=4 543 B12R2.1081 NC1=C2CCCNC2=CC=C1 PH003531 [0,1,0,1,0,0|0,0,0]=2 544 B12R2.1081 NC1=C2OCCOC2=NC=C1 ADE000026 [0,1,0,1,0,0|2,0,0]=4 545 B12R2.1081 NC1=CC=CC2=C1CCCC2 T281816 [0,1,0,1,0,0|0,0,0]=2 546 B12R2.1081 O=C1CCCC2=C1C=CC=N2 PH009807 [0,1,0,1,0,0|2,0,0]=4 547 B12R2.1081 O=C1CCCC2=CC=NC=C12 CDS009119 [0,1,0,1,0,0|2,0,0]=4 548 B12R2.1081 O=C1CCNC2=CC=CC=C12 CDS014814 [0,1,0,1,0,0|0,0,1]=3 549 B12R2.1081 O=C1COCC2=CC=CC=C12 PH016275 [0,1,0,1,0,0|2,0,0]=4 550 B12R2.1081 O=S1CCNC2=CC=CC=C12 T324086 [0,1,0,1,0,0|1,0,0]=3 551 B12R2.1081 OC1=CC=CC2=C1C=CCC2 PH008627 [0,1,0,1,0,0|1,0,1]=4 552 B12R2.1081 OC1=CC=CC2=C1NCCC2 CDS019675 [0,1,0,1,0,0|0,0,0]=2 553 B12R2.1081 OC1=NC=CC2=C1CCCC2 PH009108 [0,1,0,1,0,0|2,0,0]=4 554 B12R2.1081 OC1CCCC2=CC=CN=C12 CDS003538 [0,1,0,1,0,0|2,0,0]=4 555 B12R2.24 BrC1=CC2=C(C=C1)CCCC2 T263664 [0,1,0,1,0,0|1,0,0]=3 556 B12R2.24 BrC1=CC=C2CCNCC2=C1 CDS020020 [0,1,0,1,0,0|2,0,0]=4 557 B12R2.24 BrC1=CC=C2CNCCC2=C1 CDS010128 [0,1,0,1,0,0|2,0,0]=4 558 B12R2.24 BrC1=CC=C2OCCNC2=C1 VBP00109 [0,1,0,1,0,0|1,0,0]=3 559 B12R2.24 BrC1=CC=C2SCCNC2=C1 VBP00120 [0,1,0,1,0,0|1,0,0]=3 560 B12R2.24 BrC1=CN=C2NCCOC2=C1 ADE001250 [0,1,0,1,0,0|2,0,0]=4 561 B12R2.24 BrC1=NC2=C(C=C1)NCCO2 ADE001271 [0,1,0,1,0,0|2,0,0]=4 562 B12R2.24 CC1=CC2=C(CCCC2)N=C1 R279013 [0,1,0,1,0,0|2,0,0]=4 563 B12R2.24 CC1=CC=C2CCCNC2=N1 CDS020000 [0,1,0,1,0,0|1,0,0]=3 564 B12R2.24 CC1=CC=C2CCNCC2=C1 MNO000106 [0,1,0,1,0,0|2,0,0]=4 565 B12R2.24 CC1=NC2=CC=CC=C2SC1 PH013508 [0,1,0,1,0,0|0,0,2]=4 566 B12R2.24 CC1CNC2=CC=CC=C2O1 VBP00114 [0,1,0,1,0,0|1,0,0]=3 567 B12R2.24 ClC1=CC=C2CNCCC2=C1 CDS020263 [0,1,0,1,0,0|2,0,0]=4 568 B12R2.24 ClC1=CC=C2OCCNC2=C1 CDS016427 [0,1,0,1,0,0|1,0,0]=3 569 B12R2.24 ClC1=CC=C2OCCNC2=C1 VBP00272 [0,1,0,1,0,0|1,0,0]=3 570 B12R2.24 FC1=CN=C2OCCCC2=C1 ADE000007 [0,1,0,1,0,0|2,0,0]=4 571 B12R2.24 IC1=CC=C2OCCCC2=N1 ADE000008 [0,1,0,1,0,0|2,0,0]=4 572 B12R2.24 IC1=CN=C2OCCCC2=C1 ADE001365 [0,1,0,1,0,0|2,0,0]=4 573 B12R2.24 IC1=NC2=C(C=C1)NCCO2 ADE001270 [0,1,0,1,0,0|2,0,0]=4 574 B12R2.24 N=C1CSC2=C(N1)C=CC=C2 PH008148 [0,1,0,1,0,0|1,0,1]=4 575 B12R2.24 NC1=CC2=C(C=C1)OCOC2 TMT00023 [0,1,0,1,0,0|2,0,0]=4 576 B12R2.24 NC1=CN=C2OCCCC2=C1 ADE001373 [0,1,0,1,0,0|2,0,0]=4 577 B12R2.24 NC1=NCC2=CC=CC=C2N1 PH012493 [0,1,0,1,0,0|1,0,1]=4 578 B12R2.24 NC1COC2=CC=CC=C2C1 CBR01531 [0,1,0,1,0,0|1,0,0]=3 579 B12R2.24 NC1COC2=CC=CC=C2C1 CDS007242 [0,1,0,1,0,0|1,0,0]=3 580 B12R2.24 O=C1CNC2=CC=CC=C2N1 T324280 [0,1,0,1,0,0|1,0,1]=4 581 B12R2.24 O=C1COC2=CC=CC=C2C1 PH015428 [0,1,0,1,0,0|1,0,1]=4 582 B12R2.24 OC1=CC=C2CCCNC2=C1 CDS019987 [0,1,0,1,0,0|0,0,0]=2 583 B12R2.24 OC1=CC=C2OCCOC2=C1 CBR01871 [0,1,0,1,0,0|2,0,0]=4 584 B12R2.24 OC1=CN=C2OCCCC2=C1 ADE001447 [0,1,0,1,0,0|2,0,0]=4 585 B12R2.24 OC1CCC2=C(C1)C=CC=C2 TMT00302 [0,1,0,1,0,0|1,0,0]=3 586 B12R2.24 OC1CCC2=CC=CC=C2O1 PH008577 [0,1,0,1,0,0|1,0,0]=3 587 B12R2.24 OC1CN=C2C=CC=CN2C1 T317195 [0,1,0,1,0,0|1,0,1]=4 588 B12R2.24 S=C1CCC2=C(N1)C=CC=C2 PH009536 [0,1,0,1,0,0|0,0,1]=3 589 B12R2.24 S=C1COC2=CC=CC=C2N1 PH000195 [0,1,0,1,0,0|1,0,1]=4 590 B12R2.24 S=C1NCC2=CC=CC=C2N1 PH005120 [0,1,0,1,0,0|1,0,1]=4 591 B12R2.32 BrCC1C[N+]2=C(N1)C=CC=C2 R665673 [0,1,0,1,0,0|1,0,0]=3 592 B12R2.32 CC[N+]1=CC2=CC=CC=C2O1 S617024 [0,1,0,1,0,0|1,0,1]=4 593 B12R2.32 CNC1CC2=CC=CC=C2C1 CBR01430 [0,1,0,1,0,0|1,0,0]=3 594 B12R2.32 CSC1=NC2=C(N1)C=CC=C2 R429929 [0,1,0,1,0,0|1,0,1]=4 595 B12R2.32 C[Se]C1=NC2=C(N1)C=CC=C2 S202851 [0,1,0,1,0,0|1,0,1]=4 596 B12R2.32 ClCC1=NC2=C(N1)C=CC=C2 S934852 [0,1,0,1,0,0|1,0,1]=4 597 B12R2.32 NCC1=CC2=C(N1)C=CC=C2 CDS001804 [0,1,0,1,0,0|0,0,2]=4 598 B12R2.32 NNC1CC2=C(C1)C=CC=C2 CBR01348 [0,1,0,1,0,0|2,0,0]=4 599 B12R2.32 NNC1CC2=CC=CC=C2C1 PH019071 [0,1,0,1,0,0|2,0,0]=4 600 B12R2.32 SCC1=NC2=CC=CC=C2N1 CBR00787 [0,1,0,1,0,0|1,0,1]=4 601 B12R2.196 CN1C=CC2=C(C=CC=C12)N CDS005244 [0,1,0,1,0,0|0,0,2]=4 602 B12R2.196 CN1N=NC2=C(C=CC=C12)N CBR01759 [0,1,0,1,0,0|2,0,0]=4 603 B12R2.196 O=C1CCC2=C(C=CC=C12)Cl JRD0942 [0,1,0,1,0,0|1,0,1]=4 604 B12R2.225 IC1=CC=CN=C1NC2CC2 PH017737 [0,1,0,1,0,0|2,0,0]=4 605 B12R2.1 CC[N+]1=CSC2=C1C=CC=C2 S32981 [0,1,0,1,0,0|2,0,0]=4 606 B12R2.1 NCC1=CNC2=C1C=CC=C2 CDS020852 [0,1,0,1,0,0|1,0,1]=4 607 B12R2.1 NCC1=NNC2=CC=CC=C12 CDS009727 [0,1,0,1,0,0|1,0,1]=4 608 B12R2.1 NCC1=NNC2=CC=CC=C12 CDS022347 [0,1,0,1,0,0|1,0,1]=4 609 B12R2.18 CC1CC2=C(N1C)C=CC=C2 S786780 [0,1,0,1,0,0|0,0,0]=2 610 B12R2.18 CN1CC2=C(C1=O)C=CC=C2 S701564 [0,1,0,1,0,0|2,0,0]=4 611 B12R2.18 NC1C(=O)NC2=CC=CC=C12 CBR00797 [0,1,0,1,0,0|1,0,1]=4 612 B12R2.18 NC1C2=C(C=CC=C2)CC1Cl S988677 [0,1,0,1,0,0|1,0,0]=3 613 B12R2.18 NN1C(=O)CC2=CC=CC=C12 PH002340 [0,1,0,1,0,0|1,0,1]=4 614 B12R2.18 O=C1CC2=C(N1O)C=CC=C2 PH003463 [0,1,0,1,0,0|1,0,1]=4 615 B12R2.18 O=C1NC2=C(C1O)C=CC=C2 PH010628 [0,1,0,1,0,0|1,0,1]=4 616 B12R2.315 COC1=CC=CC2=C1CCN2 CDS009131 [0,1,0,1,0,0|2,0,0]=4 617 B12R2.315 COC1=CC=CC2=C1CNC2 CDS023355 [0,1,0,1,0,0|2,0,0]=4 618 B12R2.315 N#CC1=CC=CC2=C1CNC2 CDS007332 [0,1,0,1,0,0|1,0,1]=4 619 B12R2.2048 COC1=C(C=CC=C1)C2CC2 L168610 [0,1,0,1,0,0|1,0,0]=3 620 B12R2.606 CC1=CC2=CC=C(C=C2N1)Cl CDS022887 [0,1,0,1,0,0|0,0,2]=4 621 B12R2.606 CC1=NC2=CC(=CC=C2N1)O CBR02477 [0,1,0,1,0,0|1,0,1]=4 622 B12R2.606 CC1=NC2=CC=C(C=C2N1)N CDS022382 [0,1,0,1,0,0|1,0,1]=4 623 B12R2.606 CC1CC2=CC(=CC=C2O1)N CBR00712 [0,1,0,1,0,0|1,0,0]=3 624 B12R2.606 CN1CC2=CC=C(C=C2C1)N CDS012772 [0,1,0,1,0,0|2,0,0]=4 625 B12R2.606 N1C(=NC2=C1C=CC(=C2)Cl)C S438812 [0,1,0,1,0,0|1,0,1]=4 626 B12R2.606 N1C2=CC=C(C=C2N=C1C)Br ANV00243 [0,1,0,1,0,0|1,0,1]=4 627 B12R2.606 O=C1CC2=CC(=CC=C2N1)O CDS004194 [0,1,0,1,0,0|1,0,1]=4 628 B12R2.95 CC1(NC2=C(S1)C=CC=C2)C S435333 [0,1,0,1,0,0|1,0,0]=3 629 B12R2.221 OC1=CC=C(C2=C1CCC2)Cl S544752 [0,1,0,1,0,0|1,0,0]=3 630 B12R2.1316 OC1=CC=C(C=C1C2CC2)F PH017223 [0,1,0,1,0,0|1,0,0]=3 631 B12R2.88 CC1=CC=CC=C1C2(CC2)N CBR00919 [0,1,0,1,0,0|1,0,0]=3 632 B12R2.88 NC1(CC1)C2=CC=CC=C2Cl CBR00918 [0,1,0,1,0,0|1,0,0]=3 633 B12R2.203 O=C1CCC2=C1C(=CC=C2)S T285455 [0,1,0,1,0,0|1,0,1]=4 634 B8R1.8 CCCN1C=CC=C1 PH010280 [1,0,0,0,1,0|1,0,0]=3 635 B8R1.8 CNCC1=CC=CS1 CDS004831 [1,0,0,0,1,0|2,0,0]=4 636 B8R1.8 CNCC1=CC=CS1 PH012021 [1,0,0,0,1,0|2,0,0]=4 637 B8R1.8 CNCC1=CSC=C1 PH015792 [1,0,0,0,1,0|2,0,0]=4 638 B8R1.8 NCCC1=CC=CO1 CBR02448 [1,0,0,0,1,0|2,0,0]=4 639 B8R1.8 OCCN1C=CC=C1 CDS000018 [1,0,0,0,1,0|2,0,0]=4