0 B9R1.12 C1=COC(=C1)C=CC=O F103082 [0,0,0,0,0,0|0,0,0]=0 1 B9R1.12 C1=COC(=C1)CN=C=O B301379 [0,0,0,0,0,0|1,0,2]=3 2 B9R1.12 C1=COC(=C1)CSC=O S161330 [0,0,0,0,0,0|1,0,1]=2 3 B9R1.12 CCCCC1=CC=CO1 B152372 [0,0,0,0,0,0|1,0,3]=4 4 B9R1.12 CSSCC1=CC=CO1 F103101 [0,0,0,0,0,0|3,0,1]=4 5 B8R1.8 C1=COC(=C1)C=NO F356785 [1,0,0,0,0,0|1,0,1]=3 6 B8R1.8 C1=CSC(=C1)C=NO T169362 [1,0,0,0,0,0|1,1,1]=4 7 B8R1.8 CCCC1=CC=CO1 P160277 [1,0,0,0,0,0|0,0,3]=4 8 B8R1.8 CNCC1=CC=CO1 I170508 [1,0,0,0,0,0|1,0,2]=4 9 B8R1.8 CSCC1=CC=CO1 F102908 [1,0,0,0,0,0|1,0,2]=4 10 B10R1.11 C1=COC(=C1)C(=O)CC#N B301199 [0,1,0,0,0,0|1,0,2]=4 11 B10R1.11 C=CCC(C1=CC=CO1)O F404484 [0,1,0,0,0,0|1,0,2]=4 12 B10R1.11 CCOC(=O)C1=CC=CO1 E156335 [0,1,0,0,0,0|2,0,1]=4 13 B10R1.11 CCOC(=O)C1=CC=CO1 E302418 [0,1,0,0,0,0|2,0,1]=4 14 B10R1.16 CC1=CC=C(O1)CCC=O M157833 [0,1,0,0,0,0|0,0,2]=3 15 B10R1.66 C1=C(NC=N1)C=CC(=O)O I165655 [0,1,0,0,0,0|2,0,0]=3 16 B10R1.66 C1=C(NC=N1)C=CC(=O)O T162071 [0,1,0,0,0,0|2,0,0]=3 17 B10R1.66 C1=COC(=C1)C=CC(=O)O F103094 [0,1,0,0,0,0|0,0,0]=1 18 B10R1.66 C1=COC(=C1)C=C[N+](=O)[O-] F186106 [0,1,0,0,0,0|1,0,0]=2 19 B10R1.66 C1=COC(=C1)CCC(=O)O F188394 [0,1,0,0,0,0|0,0,2]=3 20 B10R1.66 C1=COC(=C1)CNC(=O)N F339428 [0,1,0,0,0,0|1,0,1]=3 21 B10R1.66 C1=COC=C1C=CC(=O)O T341153 [0,1,0,0,0,0|2,0,0]=3 22 B10R1.66 C1=CSC(=C1)C=CC(=O)O T124452 [0,1,0,0,0,0|0,1,0]=2 23 B10R1.66 C1=CSC(=C1)C=CC(=O)O T162810 [0,1,0,0,0,0|0,1,0]=2 24 B10R1.66 C1=CSC(=C1)C=C[N+](=O)[O-] N159664 [0,1,0,0,0,0|1,1,0]=3 25 B10R1.66 C1=CSC(=C1)CCC(=O)O T472520 [0,1,0,0,0,0|0,1,2]=4 26 B10R1.66 C1=CSC=C1C=CC(=O)O E171720 [0,1,0,0,0,0|2,0,0]=3 27 B10R1.66 CC(=O)C=CC1=CC=CO1 F156707 [0,1,0,0,0,0|0,0,0]=1 28 B10R1.66 CC(=O)OCC1=CC=CO1 F116599 [0,1,0,0,0,0|1,0,1]=3 29 B10R1.66 CC(=O)SCC1=CC=CO1 F103056 [0,1,0,0,0,0|1,0,1]=3 30 B8R0.1 CCOC(=O)C=CC=O E189100 [0,0,1,0,0,0|1,0,2]=4 31 B10R2.7 C1=CC2=C(C=CN2)N=C1 H135749 [0,0,0,1,0,0|2,0,0]=3 32 B10R2.7 C1=CC2=C(C=NN2)N=C1 I169192 [0,0,0,1,0,0|3,0,0]=4 33 B10R2.7 C1=CC2=C(N=C1)N=CN2 A113516 [0,0,0,1,0,0|3,0,0]=4 34 B10R2.7 C1=CC2=C(NC=C2)N=C1 A124841 [0,0,0,1,0,0|3,0,0]=4 35 B10R2.7 C1=CC2=CC=NN2C=C1 P588518 [0,0,0,1,0,0|3,0,0]=4 36 B10R2.7 C1=CC2=CN=CN2C=C1 I157599 [0,0,0,1,0,0|3,0,0]=4 37 B10R2.7 C1=CC2=CON=C2C=C1 A151655 [0,0,0,1,0,0|3,0,0]=4 38 B10R2.7 C1=CC2=NC=CN2C=C1 I124710 [0,0,0,1,0,0|3,0,0]=4 39 B10R2.7 C1=CC2=NC=CN2N=C1 I124056 [0,0,0,1,0,0|3,0,0]=4 40 B10R2.7 C1=CC=C2C(=C1)C=CN2 I104724 [0,0,0,1,0,0|2,0,0]=3 41 B10R2.7 C1=CC=C2C(=C1)C=CN2 I104725 [0,0,0,1,0,0|2,0,0]=3 42 B10R2.7 C1=CC=C2C(=C1)C=CN2 I104726 [0,0,0,1,0,0|2,0,0]=3 43 B10R2.7 C1=CC=C2C(=C1)C=CN2 I104728 [0,0,0,1,0,0|2,0,0]=3 44 B10R2.7 C1=CC=C2C(=C1)C=CN2 I420909 [0,0,0,1,0,0|2,0,0]=3 45 B10R2.7 C1=CC=C2C(=C1)C=CO2 B107470 [0,0,0,1,0,0|1,0,0]=2 46 B10R2.7 C1=CC=C2C(=C1)C=CS2 B107023 [0,0,0,1,0,0|1,1,0]=3 47 B10R2.7 C1=CC=C2C(=C1)C=NN2 I157585 [0,0,0,1,0,0|3,0,0]=4 48 B10R2.7 C1=CC=C2C(=C1)C=NO2 B151955 [0,0,0,1,0,0|2,0,0]=3 49 B10R2.7 C1=CC=C2C(=C1)N=CO2 B152628 [0,0,0,1,0,0|2,0,0]=3 50 B10R2.7 C1=CC=C2C(=C1)N=CS2 B104851 [0,0,0,1,0,0|2,1,0]=4 51 B10R2.7 C1=CC=C2C(=C1)N=CS2 B104852 [0,0,0,1,0,0|2,1,0]=4 52 B10R2.7 C1=CC=C2C(=C1)N=CS2 B104854 [0,0,0,1,0,0|2,1,0]=4 53 B10R2.7 C1=CC=C2C(=C1)NC=N2 B106095 [0,0,0,1,0,0|3,0,0]=4 54 B10R2.7 C1=CNC2=C1C=CN=C2 A140209 [0,0,0,1,0,0|3,0,0]=4 55 B10R2.7 C1=CNC2=C1C=NC=C2 P120087 [0,0,0,1,0,0|3,0,0]=4 56 B10R2.7 C1=CNC2=NC=CN=C21 H176557 [0,0,0,1,0,0|3,0,0]=4 57 B10R2.7 C1C=CC2=CC=CC=C21 I105567 [0,0,0,1,0,0|2,0,0]=3 58 B10R2.7 C1C=CC2=CC=CC=C21 I105568 [0,0,0,1,0,0|2,0,0]=3 59 B10R2.7 C1C=CC2=CC=CC=C21 I105569 [0,0,0,1,0,0|2,0,0]=3 60 B10R2.7 C1COC2=CC=CC=C21 D170588 [0,0,0,1,0,0|1,0,2]=4 61 B10R2.7 C1OC2=CC=CC=C2O1 B101357 [0,0,0,1,0,0|2,0,1]=4 62 B10R2.7 [B]1OC2=CC=CC=C2O1 C466137 [0,0,0,1,0,0|3,0,0]=4 63 B10R1.17 C1=CC(=CN=C1)C=CC=O T347360 [0,0,0,0,0,1|1,0,0]=2 64 B10R1.17 C1=CC=C(C=C1)C#CC=O P138572 [0,0,0,0,0,1|1,0,2]=4 65 B10R1.17 C1=CC=C(C=C1)C=CC#N C107581 [0,0,0,0,0,1|2,0,1]=4 66 B10R1.17 C1=CC=C(C=C1)C=CC=O C108630 [0,0,0,0,0,1|1,0,0]=2 67 B10R1.17 C1=CC=C(C=C1)C=CC=O C108631 [0,0,0,0,0,1|1,0,0]=2 68 B10R1.17 C1=CC=C(C=C1)C=CC=O C110083 [0,0,0,0,0,1|1,0,0]=2 69 B10R1.17 C1=CC=C(C=C1)C=CC=O C110084 [0,0,0,0,0,1|1,0,0]=2 70 B10R1.17 C1=CC=C(C=C1)C=CC=O T421609 [0,0,0,0,0,1|1,0,0]=2 71 B10R1.17 C1=CC=C(C=C1)C=CCBr B163067 [0,0,0,0,0,1|2,0,1]=4 72 B10R1.17 C1=CC=C(C=C1)C=CCCl C102165 [0,0,0,0,0,1|2,0,1]=4 73 B10R1.17 C1=CC=C(C=C1)C=CCO C110605 [0,0,0,0,0,1|1,0,2]=4 74 B10R1.17 C1=CC=C(C=C1)C=CCO C110606 [0,0,0,0,0,1|1,0,2]=4 75 B10R1.17 C1=CC=C(C=C1)C=CCO E303728 [0,0,0,0,0,1|1,0,2]=4 76 B10R1.17 C1=CC=C(C=C1)CCC=O P109695 [0,0,0,0,0,1|1,0,2]=4 77 B10R1.17 C1=CC=C(C=C1)CNC=O N159287 [0,0,0,0,0,1|2,0,1]=4 78 B10R1.17 C1=CC=C(C=C1)COC=O B152855 [0,0,0,0,0,1|2,0,1]=4 79 B10R1.17 C=CC=CC1=CC=CC=C1 P305147 [0,0,0,0,0,1|2,0,0]=3 80 B7R0.1 CCC=CC=CC=O H102914 [1,0,1,0,0,0|0,0,2]=4 81 B7R0.3 COC(=O)C=CC=O M158237 [1,0,1,0,0,0|1,0,1]=4 82 B7R0.7 CC=CC(=O)OC=C V162948 [1,0,1,0,0,0|1,0,1]=4 83 B7R1.1 C1=C(N=CO1)C=O O159993 [2,0,0,0,0,0|2,0,0]=4 84 B7R1.1 C1=C(N=CS1)C=O T135085 [2,0,0,0,0,0|2,0,0]=4 85 B7R1.1 C1=C(NC=N1)C=O I124241 [2,0,0,0,0,0|2,0,0]=4 86 B7R1.1 C1=C(NN=C1)C=O P140216 [2,0,0,0,0,0|2,0,0]=4 87 B7R1.1 C1=C(SC=N1)C=O W132585 [2,0,0,0,0,0|1,1,0]=4 88 B7R1.1 C1=CNC(=C1)C=O P123130 [2,0,0,0,0,0|1,0,0]=3 89 B7R1.1 C1=COC(=C1)C#N F139092 [2,0,0,0,0,0|1,0,1]=4 90 B7R1.1 C1=COC(=C1)C=O F100546 [2,0,0,0,0,0|0,0,0]=2 91 B7R1.1 C1=COC(=C1)C=O F100547 [2,0,0,0,0,0|0,0,0]=2 92 B7R1.1 C1=COC(=C1)C=O F100548 [2,0,0,0,0,0|0,0,0]=2 93 B7R1.1 C1=COC(=C1)C=O F336820 [2,0,0,0,0,0|0,0,0]=2 94 B7R1.1 C1=COC(=C1)CN F111778 [2,0,0,0,0,0|1,0,1]=4 95 B7R1.1 C1=COC(=C1)CN F493732 [2,0,0,0,0,0|1,0,1]=4 96 B7R1.1 C1=COC(=C1)CO F110603 [2,0,0,0,0,0|0,0,2]=4 97 B7R1.1 C1=COC(=C1)CO F110604 [2,0,0,0,0,0|0,0,2]=4 98 B7R1.1 C1=COC(=C1)CS F102900 [2,0,0,0,0,0|0,1,1]=4 99 B7R1.1 C1=COC=C1C=O F122652 [2,0,0,0,0,0|2,0,0]=4 100 B7R1.1 C1=CSC(=C1)C=O T107122 [2,0,0,0,0,0|0,1,0]=3 101 B7R1.1 C1=CSC(=N1)C=O T107968 [2,0,0,0,0,0|1,1,0]=4 102 B7R1.1 C1=CSC=C1C=O T115194 [2,0,0,0,0,0|2,0,0]=4 103 B7R1.1 C=CC1=CC=CS1 V305289 [2,0,0,0,0,0|0,1,0]=3 104 B7R1.1 CCC1=CC=CO1 E102538 [2,0,0,0,0,0|0,0,2]=4 105 B7R1.1 CCC1=CC=CO1 E141264 [2,0,0,0,0,0|0,0,2]=4 106 B7R1.1 COC1=CC=CO1 M158540 [2,0,0,0,0,0|1,0,1]=4 107 B9R1.11 C1=COC(=C1)C(=O)CO F339585 [1,1,0,0,0,0|0,0,2]=4 108 B9R1.11 C1=COC(=C1)C(=O)NN F133378 [1,1,0,0,0,0|2,0,0]=4 109 B9R1.11 CCC(=O)C1=CC=CO1 P339593 [1,1,0,0,0,0|0,0,2]=4 110 B9R1.11 COC(=O)C1=CC=CO1 M103048 [1,1,0,0,0,0|1,0,1]=4 111 B9R1.11 CSC(=O)C1=CC=CO1 S161299 [1,1,0,0,0,0|1,0,1]=4 112 B9R1.13 C1=CSC(=C1)CC(=O)Cl T107389 [1,1,0,0,0,0|0,1,1]=4 113 B9R1.13 C1=CSC(=C1)CC(=O)N T338182 [1,1,0,0,0,0|0,1,1]=4 114 B9R1.13 C1=CSC(=C1)CC(=O)O T113850 [1,1,0,0,0,0|0,1,1]=4 115 B11R1.1 C1=CC(=CC=C1C=CC=O)Br T102188 [0,1,0,0,0,1|1,0,0]=3 116 B11R1.1 C1=CC(=CC=C1C=CC=O)Cl E193580 [0,1,0,0,0,1|1,0,0]=3 117 B11R1.1 C1=CC(=CC=C1C=CC=O)F F156576 [0,1,0,0,0,1|1,0,0]=3 118 B11R1.1 CC1=CC=C(C=C1)C=CC=O E589502 [0,1,0,0,0,1|1,0,0]=3 119 B11R1.16 CC=CC(=O)C1=CC=CC=C1 P122944 [0,1,0,0,0,1|2,0,0]=4 120 B11R1.17 C1=CC=C(C(=C1)C=CC=O)Br E302788 [0,1,0,0,0,1|1,0,0]=3 121 B11R1.17 C1=CC=C(C(=C1)C=CC=O)O H157419 [0,1,0,0,0,1|1,0,0]=3 122 B11R1.24 CC1=CC(=CC=C1)C=CC=O E590785 [0,1,0,0,0,1|1,0,0]=3 123 B11R1.40 C1=CC=C(C=C1)C=C(C=O)Br B102162 [0,1,0,0,0,1|1,0,0]=3 124 B11R1.40 C1=CC=C(C=C1)C=C(C=O)Cl C102191 [0,1,0,0,0,1|1,0,0]=3 125 B11R1.40 CC(=CC1=CC=CC=C1)C=O M102181 [0,1,0,0,0,1|1,0,0]=3 126 B11R1.40 CC(=CC1=CC=CC=C1)C=O M302967 [0,1,0,0,0,1|1,0,0]=3 127 B11R1.91 C1=CC(=CN=C1)C=CC(=O)O P160635 [0,1,0,0,0,1|1,0,0]=3 128 B11R1.91 C1=CC(=CN=C1)C=CC(=O)O T138424 [0,1,0,0,0,1|1,0,0]=3 129 B11R1.91 C1=CC(=CN=C1)C=C[N+](=O)[O-] N159802 [0,1,0,0,0,1|2,0,0]=4 130 B11R1.91 C1=CC=C(C=C1)C=CC(=O)Cl C106841 [0,1,0,0,0,1|1,0,0]=3 131 B11R1.91 C1=CC=C(C=C1)C=CC(=O)Cl T347639 [0,1,0,0,0,1|1,0,0]=3 132 B11R1.91 C1=CC=C(C=C1)C=CC(=O)N C101731 [0,1,0,0,0,1|1,0,0]=3 133 B11R1.91 C1=CC=C(C=C1)C=CC(=O)O C108494 [0,1,0,0,0,1|1,0,0]=3 134 B11R1.91 C1=CC=C(C=C1)C=CC(=O)O C108495 [0,1,0,0,0,1|1,0,0]=3 135 B11R1.91 C1=CC=C(C=C1)C=CC(=O)O C108496 [0,1,0,0,0,1|1,0,0]=3 136 B11R1.91 C1=CC=C(C=C1)C=CC(=O)O C108497 [0,1,0,0,0,1|1,0,0]=3 137 B11R1.91 C1=CC=C(C=C1)C=CC(=O)O P478163 [0,1,0,0,0,1|1,0,0]=3 138 B11R1.91 C1=CC=C(C=C1)C=CC(=O)O T421496 [0,1,0,0,0,1|1,0,0]=3 139 B11R1.91 C1=CC=C(C=C1)C=CC(=O)[O-] C167677 [0,1,0,0,0,1|1,0,0]=3 140 B11R1.91 C1=CC=C(C=C1)C=CC(=O)[O-] C170870 [0,1,0,0,0,1|1,0,0]=3 141 B11R1.91 C1=CC=C(C=C1)C=C[N+](=O)[O-] N122699 [0,1,0,0,0,1|2,0,0]=4 142 B11R1.91 C1=CC=NC(=C1)C=CC(=O)O E189192 [0,1,0,0,0,1|1,0,0]=3 143 B11R1.91 C1=CN=CC=C1C=CC(=O)O P160631 [0,1,0,0,0,1|1,0,0]=3 144 B11R1.91 C1=CN=CC=C1C=CC(=O)O T189221 [0,1,0,0,0,1|1,0,0]=3 145 B11R1.91 C1=CN=CC=C1C=C[N+](=O)[O-] E586100 [0,1,0,0,0,1|2,0,0]=4 146 B11R1.91 CC(=O)C=CC1=CC=CC=C1 P111783 [0,1,0,0,0,1|1,0,0]=3 147 B11R1.91 CC(=O)C=CC1=CC=CC=C1 P111784 [0,1,0,0,0,1|1,0,0]=3 148 B11R1.91 CC(=O)C=CC1=CC=CC=C1 T121970 [0,1,0,0,0,1|1,0,0]=3 149 B11R1.29 C=CCOC(=O)C1=CC=CO1 A133703 [0,2,0,0,0,0|1,0,1]=4 150 B11R1.25 CCC(=O)SCC1=CC=CO1 F464899 [0,2,0,0,0,0|1,0,1]=4 151 B11R1.25 CCC(=O)SCC1=CC=CO1 S161331 [0,2,0,0,0,0|1,0,1]=4 152 B11R1.35 C1=COC(=C1)CC(C(=O)O)N H356423 [0,2,0,0,0,0|0,0,2]=4 153 B9R1.2 C#CC1=CC(=CC=C1)O H113416 [0,0,1,1,0,0|1,0,1]=4 154 B9R1.2 C1=C(C=NC=C1Br)C=O B111394 [0,0,1,1,0,0|2,0,0]=4 155 B9R1.2 C1=C(C=NC=C1Cl)C=O C165987 [0,0,1,1,0,0|2,0,0]=4 156 B9R1.2 C1=C(C=NC=C1F)C=O F176383 [0,0,1,1,0,0|2,0,0]=4 157 B9R1.2 C1=C(C=NC=C1I)C=O I340108 [0,0,1,1,0,0|2,0,0]=4 158 B9R1.2 C1=CC(=CC(=C1)Br)C=O B108056 [0,0,1,1,0,0|1,0,0]=3 159 B9R1.2 C1=CC(=CC(=C1)Cl)C=O C154036 [0,0,1,1,0,0|1,0,0]=3 160 B9R1.2 C1=CC(=CC(=C1)F)C=O F107121 [0,0,1,1,0,0|1,0,0]=3 161 B9R1.2 C1=CC(=CC(=C1)I)C=O I135884 [0,0,1,1,0,0|1,0,0]=3 162 B9R1.2 C1=CC(=CC(=C1)O)C#N C139371 [0,0,1,1,0,0|1,0,1]=4 163 B9R1.2 C1=CC(=CC(=C1)O)C=O H104163 [0,0,1,1,0,0|0,0,0]=2 164 B9R1.2 C1=CC(=CC(=C1)O)CN H407384 [0,0,1,1,0,0|1,0,1]=4 165 B9R1.2 C1=CC(=CC(=C1)O)CO H137304 [0,0,1,1,0,0|0,0,2]=4 166 B9R1.2 C1=CC(=CC(=C1)O)CO H501150 [0,0,1,1,0,0|0,0,2]=4 167 B9R1.2 C1=CC(=NC(=C1)Br)C=O B115762 [0,0,1,1,0,0|2,0,0]=4 168 B9R1.2 C1=CC(=NC(=C1)Cl)C=O C154078 [0,0,1,1,0,0|2,0,0]=4 169 B9R1.2 C1=CC(=NC(=C1)F)C=O F182684 [0,0,1,1,0,0|2,0,0]=4 170 B9R1.2 C1=CN=C(C=C1C=O)Br B138072 [0,0,1,1,0,0|2,0,0]=4 171 B9R1.2 C1=CN=C(C=C1C=O)Cl W136070 [0,0,1,1,0,0|2,0,0]=4 172 B9R1.2 C1=CN=C(C=C1C=O)F F166943 [0,0,1,1,0,0|2,0,0]=4 173 B9R1.2 C1=CN=C(C=C1Cl)C=O C176987 [0,0,1,1,0,0|2,0,0]=4 174 B9R1.2 C=CC1=CC(=CC=C1)Br B121722 [0,0,1,1,0,0|2,0,0]=4 175 B9R1.2 C=CC1=CC(=CC=C1)Cl C121720 [0,0,1,1,0,0|2,0,0]=4 176 B9R1.2 C=CC1=CC(=CC=C1)Cl C140515 [0,0,1,1,0,0|2,0,0]=4 177 B9R1.2 C=CC1=CC(=CC=C1)F F121724 [0,0,1,1,0,0|2,0,0]=4 178 B9R1.2 C=CC1=CC(=CC=C1)N V138287 [0,0,1,1,0,0|2,0,0]=4 179 B9R1.2 CC1=CC(=CC=C1)C=C M158347 [0,0,1,1,0,0|2,0,0]=4 180 B9R1.2 CC1=CC(=CC=C1)C=O M157831 [0,0,1,1,0,0|1,0,0]=3 181 B9R1.2 CC1=CC(=NC=C1)C=O M124675 [0,0,1,1,0,0|2,0,0]=4 182 B9R1.2 CC1=NC(=CC=C1)C=O M101568 [0,0,1,1,0,0|2,0,0]=4 183 B9R1.2 CCC1=CC(=CC=C1)O E156226 [0,0,1,1,0,0|1,0,1]=4 184 B9R1.2 CNC1=CC(=CC=C1)O M587311 [0,0,1,1,0,0|2,0,0]=4 185 B9R1.2 COC1=CC=CC(=C1)O M109432 [0,0,1,1,0,0|2,0,0]=4 186 B9R1.8 C1=CC=C(C=C1)OC=O P305264 [0,0,1,1,0,0|2,0,0]=4 187 B9R1.8 C=CCC1=CC=CC=C1 A101037 [0,0,1,1,0,0|2,0,0]=4 188 B9R1.8 C=CSC1=CC=CC=C1 P101810 [0,0,1,1,0,0|1,1,0]=4 189 B9R1.8 C=C[CH-]C1=CC=CC=C1 P129181 [0,0,1,1,0,0|2,0,0]=4 190 B9R1.15 C1=CC(=C(N=C1)C=O)O H175252 [0,0,1,1,0,0|2,0,0]=4 191 B9R1.15 C1=CC=C(C(=C1)C=O)O S103742 [0,0,1,1,0,0|2,0,0]=4 192 B9R1.15 C1=CC=C(C(=C1)C=O)O S103743 [0,0,1,1,0,0|2,0,0]=4 193 B9R1.15 C1=CC=C(C(=C1)C=O)O S103745 [0,0,1,1,0,0|2,0,0]=4 194 B9R1.15 C1=CC=C(C(=C1)C=O)O S103746 [0,0,1,1,0,0|2,0,0]=4 195 B9R1.15 C=CC1=CC=CC=C1Br B102182 [0,0,1,1,0,0|2,0,0]=4 196 B9R1.15 C=CC1=CC=CC=C1Br B140775 [0,0,1,1,0,0|2,0,0]=4 197 B9R1.15 C=CC1=CC=CC=C1Cl C121721 [0,0,1,1,0,0|2,0,0]=4 198 B9R1.15 C=CC1=CC=CC=C1Cl C492343 [0,0,1,1,0,0|2,0,0]=4 199 B9R1.15 C=CC1=CC=CC=C1F F121723 [0,0,1,1,0,0|2,0,0]=4 200 B9R1.15 C=CC1=CC=CC=C1F F398479 [0,0,1,1,0,0|2,0,0]=4 201 B9R1.15 C=CC1=CC=CC=C1N V303619 [0,0,1,1,0,0|2,0,0]=4 202 B9R1.15 CC1=CC=CC=C1C=C M100795 [0,0,1,1,0,0|2,0,0]=4 203 B9R1.69 C1=CC(=C(C=C1O)Br)Cl B181327 [0,0,1,1,0,0|2,0,0]=4 204 B9R1.69 C1=CC(=C(C=C1O)Br)F B137152 [0,0,1,1,0,0|2,0,0]=4 205 B9R1.69 C1=CC(=C(C=C1O)Br)I B573584 [0,0,1,1,0,0|2,0,0]=4 206 B9R1.69 C1=CC(=C(C=C1O)Br)O B153212 [0,0,1,1,0,0|1,0,1]=4 207 B9R1.69 C1=CC(=C(C=C1O)Cl)Br B123471 [0,0,1,1,0,0|2,0,0]=4 208 B9R1.69 C1=CC(=C(C=C1O)Cl)Cl D106520 [0,0,1,1,0,0|2,0,0]=4 209 B9R1.69 C1=CC(=C(C=C1O)Cl)Cl D106521 [0,0,1,1,0,0|2,0,0]=4 210 B9R1.69 C1=CC(=C(C=C1O)Cl)F C120812 [0,0,1,1,0,0|2,0,0]=4 211 B9R1.69 C1=CC(=C(C=C1O)Cl)N A121105 [0,0,1,1,0,0|2,0,0]=4 212 B9R1.69 C1=CC(=C(C=C1O)Cl)N A191581 [0,0,1,1,0,0|2,0,0]=4 213 B9R1.69 C1=CC(=C(C=C1O)Cl)O C133523 [0,0,1,1,0,0|1,0,1]=4 214 B9R1.69 C1=CC(=C(C=C1O)F)Br B120805 [0,0,1,1,0,0|2,0,0]=4 215 B9R1.69 C1=CC(=C(C=C1O)F)Cl C122588 [0,0,1,1,0,0|2,0,0]=4 216 B9R1.69 C1=CC(=C(C=C1O)F)F D120810 [0,0,1,1,0,0|2,0,0]=4 217 B9R1.69 C1=CC(=C(C=C1O)F)I F190218 [0,0,1,1,0,0|2,0,0]=4 218 B9R1.69 C1=CC(=C(C=C1O)F)N A122547 [0,0,1,1,0,0|2,0,0]=4 219 B9R1.69 C1=CC(=C(C=C1O)F)N F182266 [0,0,1,1,0,0|2,0,0]=4 220 B9R1.69 C1=CC(=C(C=C1O)N)Br A178691 [0,0,1,1,0,0|2,0,0]=4 221 B9R1.69 C1=CC(=C(C=C1O)N)Cl W132659 [0,0,1,1,0,0|2,0,0]=4 222 B9R1.69 C1=CC(=C(C=C1O)N)F A137308 [0,0,1,1,0,0|2,0,0]=4 223 B9R1.69 C1=CC(=C(C=C1O)O)Br B133544 [0,0,1,1,0,0|2,0,0]=4 224 B9R1.69 C1=CC(=C(C=C1O)O)Cl C128535 [0,0,1,1,0,0|2,0,0]=4 225 B9R1.69 C1=CC(=C(C=C1O)O)F F131375 [0,0,1,1,0,0|2,0,0]=4 226 B9R1.69 C1=CC(=C(C=C1O)O)O B107437 [0,0,1,1,0,0|1,0,1]=4 227 B9R1.69 C1=CC(=O)C(=CC1=O)Cl C112976 [0,0,1,1,0,0|1,0,1]=4 228 B9R1.69 CC1=C(C=C(C=C1)O)Br B185524 [0,0,1,1,0,0|2,0,0]=4 229 B9R1.69 CC1=C(C=C(C=C1)O)C D104347 [0,0,1,1,0,0|1,0,1]=4 230 B9R1.69 CC1=C(C=C(C=C1)O)C D117389 [0,0,1,1,0,0|1,0,1]=4 231 B9R1.69 CC1=C(C=C(C=C1)O)Cl W136428 [0,0,1,1,0,0|2,0,0]=4 232 B9R1.69 CC1=C(C=C(C=C1)O)F F124276 [0,0,1,1,0,0|2,0,0]=4 233 B9R1.69 CC1=C(C=C(C=C1)O)N A183421 [0,0,1,1,0,0|2,0,0]=4 234 B9R1.69 CC1=C(C=CC(=C1)O)Br B124282 [0,0,1,1,0,0|1,0,1]=4 235 B9R1.69 CC1=C(C=CC(=C1)O)Cl C103588 [0,0,1,1,0,0|1,0,1]=4 236 B9R1.69 CC1=C(C=CC(=C1)O)Cl C103589 [0,0,1,1,0,0|1,0,1]=4 237 B9R1.69 CC1=C(C=CC(=C1)O)Cl C128189 [0,0,1,1,0,0|1,0,1]=4 238 B9R1.69 CC1=C(C=CC(=C1)O)F F120819 [0,0,1,1,0,0|1,0,1]=4 239 B9R1.69 CC1=C(C=CC(=C1)O)I I181231 [0,0,1,1,0,0|1,0,1]=4 240 B9R1.69 CC1=C(C=CC(=C1)O)N A121773 [0,0,1,1,0,0|1,0,1]=4 241 B9R1.69 CC1=C(C=CC(=C1)O)O M109541 [0,0,1,1,0,0|0,0,2]=4 242 B9R1.69 CC1=CC(=O)C=CC1=O I135188 [0,0,1,1,0,0|0,0,2]=4 243 B9R1.5 C1=CC=C(C(=O)C=C1)Cl C131496 [0,0,1,1,0,0|1,0,0]=3 244 B9R1.5 C1=CC=C(C(=O)C=C1)O T112998 [0,0,1,1,0,0|0,0,0]=2 245 B9R1.14 C1=C(C(=CS1)C=O)C=O T405025 [0,0,1,1,0,0|1,0,1]=4 246 B9R1.14 C1=CSC(=C1C=O)C=O T102813 [0,0,1,1,0,0|1,0,1]=4 247 B9R1.1 C=CC1=CC=C(C=C1)Br B102167 [0,0,1,1,0,0|2,0,0]=4 248 B9R1.1 C=CC1=CC=C(C=C1)Cl C121719 [0,0,1,1,0,0|2,0,0]=4 249 B9R1.1 C=CC1=CC=C(C=C1)F F107117 [0,0,1,1,0,0|2,0,0]=4 250 B9R1.1 C=CC1=CC=C(C=C1)F F407667 [0,0,1,1,0,0|2,0,0]=4 251 B9R1.1 C=CC1=CC=C(C=C1)N A151485 [0,0,1,1,0,0|2,0,0]=4 252 B9R1.1 C=CC1=CC=C(C=C1)O H189096 [0,0,1,1,0,0|1,0,1]=4 253 B9R1.1 CC1=CC=C(C=C1)C=C M158348 [0,0,1,1,0,0|2,0,0]=4 254 B9R1.1 CC1=CC=C(C=C1)OC M106728 [0,0,1,1,0,0|1,0,1]=4 255 B9R1.1 COC1=CC=C(C=C1)Br B108656 [0,0,1,1,0,0|1,0,1]=4 256 B9R1.1 COC1=CC=C(C=C1)Cl C113571 [0,0,1,1,0,0|1,0,1]=4 257 B9R1.1 COC1=CC=C(C=C1)F F123675 [0,0,1,1,0,0|1,0,1]=4 258 B9R1.1 COC1=CC=C(C=C1)I I107035 [0,0,1,1,0,0|1,0,1]=4 259 B9R1.1 COC1=CC=C(C=C1)I L359048 [0,0,1,1,0,0|1,0,1]=4 260 B9R1.1 COC1=CC=C(C=C1)N A106071 [0,0,1,1,0,0|1,0,1]=4 261 B9R1.1 COC1=CC=C(C=C1)N A615348 [0,0,1,1,0,0|1,0,1]=4 262 B9R1.1 COC1=CC=C(C=C1)N P160121 [0,0,1,1,0,0|1,0,1]=4 263 B9R1.1 COC1=CC=C(C=C1)O M104222 [0,0,1,1,0,0|0,0,2]=4 264 B9R1.1 COC1=CC=C(C=C1)S M101780 [0,0,1,1,0,0|0,1,1]=4 265 B9R1.1 COC1=CC=C(O)C=C1 M408201 [0,0,1,1,0,0|0,0,2]=4 266 B9R1.21 COC1=CC=C(S1)C=O M588828 [0,0,1,1,0,0|1,0,1]=4 267 B9R2.3 C1=CSC2=C1C=CS2 T135725 [1,0,0,1,0,0|1,1,0]=4 268 B9R2.3 C1=CSC2=C1SC=C2 T119992 [1,0,0,1,0,0|0,2,0]=4 269 B11R2.20 C1=CC2=C(C=CC=N2)N=C1 N133086 [0,0,0,1,0,1|2,0,0]=4 270 B11R2.20 C1=CC2=C(N=C1)N=CC=C2 N133764 [0,0,0,1,0,1|2,0,0]=4 271 B11R2.20 C1=CC=C2C(=C1)C=CC=N2 Q110656 [0,0,0,1,0,1|2,0,0]=4 272 B11R2.20 C1=CC=C2C(=C1)C=CC=N2 Q110657 [0,0,0,1,0,1|2,0,0]=4 273 B11R2.20 C1=CC=C2C(=C1)C=CC=N2 Q110658 [0,0,0,1,0,1|2,0,0]=4 274 B11R2.20 C1=CC=C2C(=C1)C=CC=N2 Q134192 [0,0,0,1,0,1|2,0,0]=4 275 B11R2.20 C1=CC=C2C(=C1)C=CC=[NH+]2 Q160825 [0,0,0,1,0,1|2,0,0]=4 276 B11R2.20 C1=CC=C2C(=C1)C=NC=N2 Q107983 [0,0,0,1,0,1|2,0,0]=4 277 B11R2.20 C1=CC=C2C(=C1)N=CC=N2 Q160826 [0,0,0,1,0,1|2,0,0]=4 278 B11R2.20 C1=CC=C2C=CC=CC2=C1 N110796 [0,0,0,1,0,1|2,0,0]=4 279 B11R2.20 C1=CC=C2C=CC=CC2=C1 N110798 [0,0,0,1,0,1|2,0,0]=4 280 B11R2.20 C1=CC=C2C=CC=CC2=C1 N110799 [0,0,0,1,0,1|2,0,0]=4 281 B11R2.20 C1=CC=C2C=CC=CC2=C1 N110801 [0,0,0,1,0,1|2,0,0]=4 282 B11R2.20 C1=CC=C2C=CC=CC2=C1 N114091 [0,0,0,1,0,1|2,0,0]=4 283 B11R2.20 C1=CC=C2C=CC=CC2=C1 N119547 [0,0,0,1,0,1|2,0,0]=4 284 B11R2.20 C1=CC=C2C=CC=CC2=C1 N128175 [0,0,0,1,0,1|2,0,0]=4 285 B11R2.20 C1=CC=C2C=CC=CC2=C1 N141241 [0,0,0,1,0,1|2,0,0]=4 286 B11R2.20 C1=CC=C2C=NC=CC2=C1 I105573 [0,0,0,1,0,1|2,0,0]=4 287 B11R2.20 C1=CC=C2C=[C-]C=CC2=C1 N140702 [0,0,0,1,0,1|2,0,0]=4 288 B11R2.20 C1=CC=C2[C-]=CC=CC2=C1 N140777 [0,0,0,1,0,1|2,0,0]=4 289 B11R2.20 C1C=CCC2=CC=CC=C21 D155281 [0,0,0,1,0,1|2,0,0]=4 290 B11R2.20 C1CC2=CC=CC=C2C=C1 D155011 [0,0,0,1,0,1|2,0,0]=4 291 B11R2.2 C1=COC(=C1)C2=CN=CO2 F344426 [0,1,0,1,0,0|0,0,1]=3 292 B11R2.2 C1=CSC(=C1)C2=CC=CS2 B100722 [0,1,0,1,0,0|0,2,0]=4 293 B11R2.106 C1=CC(=C2C=CNC2=C1)N A115486 [0,1,0,1,0,0|2,0,0]=4 294 B11R2.106 C1=CC2=C(C(=C1)Br)NC=C2 B119150 [0,1,0,1,0,0|2,0,0]=4 295 B11R2.106 C1=CC2=C(C(=C1)Br)OC=C2 B181230 [0,1,0,1,0,0|1,0,0]=3 296 B11R2.106 C1=CC2=C(C(=C1)Br)OC=N2 B195547 [0,1,0,1,0,0|2,0,0]=4 297 B11R2.106 C1=CC2=C(C(=C1)Br)SC=C2 B152829 [0,1,0,1,0,0|1,1,0]=4 298 B11R2.106 C1=CC2=C(C(=C1)Cl)NC=C2 C119151 [0,1,0,1,0,0|2,0,0]=4 299 B11R2.106 C1=CC2=C(C(=C1)F)NC=C2 F111469 [0,1,0,1,0,0|2,0,0]=4 300 B11R2.106 C1=CC2=C(C(=C1)F)OC=C2 F588369 [0,1,0,1,0,0|1,0,0]=3 301 B11R2.106 C1=CC2=C(C(=C1)N)NC=C2 A103196 [0,1,0,1,0,0|2,0,0]=4 302 B11R2.106 C1=CC2=C(C=CN2)C(=C1)Br B111478 [0,1,0,1,0,0|2,0,0]=4 303 B11R2.106 C1=CC2=C(C=CN2)C(=C1)Cl C107955 [0,1,0,1,0,0|2,0,0]=4 304 B11R2.106 C1=CC2=C(C=CN2)C(=C1)F F111476 [0,1,0,1,0,0|2,0,0]=4 305 B11R2.106 C1=CC2=C(C=CN2)C(=C1)O H105121 [0,1,0,1,0,0|1,0,1]=4 306 B11R2.106 C1=CC2=C(C=CS2)C(=C1)Br B176654 [0,1,0,1,0,0|1,1,0]=4 307 B11R2.106 C1=CN=C(C2=C1OC=C2)Cl C183603 [0,1,0,1,0,0|1,0,0]=3 308 B11R2.106 C1=CN=C(C2=C1SC=C2)Cl C124450 [0,1,0,1,0,0|1,1,0]=4 309 B11R2.106 C1=CN=C2C(=C1Cl)C=CS2 C589683 [0,1,0,1,0,0|1,1,0]=4 310 B11R2.106 C1=CN=C2C=CSC2=C1Cl C177208 [0,1,0,1,0,0|1,1,0]=4 311 B11R2.106 C1=CNC(=O)C2=C1NC=N2 H588731 [0,1,0,1,0,0|2,0,0]=4 312 B11R2.106 C1=CNC(=O)C2=C1OC=C2 H175953 [0,1,0,1,0,0|0,0,0]=2 313 B11R2.106 C1=CNC2=C(C1=O)SC=C2 T132099 [0,1,0,1,0,0|1,1,0]=4 314 B11R2.106 C1=CNC2=C(C=CN=C21)Br B586535 [0,1,0,1,0,0|2,0,0]=4 315 B11R2.106 C1=CNC2=C1C(=O)C=CN2 H137025 [0,1,0,1,0,0|1,0,0]=3 316 B11R2.106 C1=CNC2=C1C(=O)NC=N2 D124092 [0,1,0,1,0,0|2,0,0]=4 317 B11R2.106 C1=CNC2=NC=CC(=C21)Br B122933 [0,1,0,1,0,0|2,0,0]=4 318 B11R2.106 C1=CNC2=NC=CC(=C21)Cl C122894 [0,1,0,1,0,0|2,0,0]=4 319 B11R2.106 C1=CNC2=NC=CC(=C21)F F177031 [0,1,0,1,0,0|2,0,0]=4 320 B11R2.106 C1=CNC2=NC=CC(=C21)I I138668 [0,1,0,1,0,0|2,0,0]=4 321 B11R2.106 C1=CNC2=NC=CC(=C21)N D135283 [0,1,0,1,0,0|2,0,0]=4 322 B11R2.106 C1=CSC2=C1C(=O)NC=N2 H138210 [0,1,0,1,0,0|1,1,0]=4 323 B11R2.106 C1C=CC2=C1C(=CC=C2)Br B138348 [0,1,0,1,0,0|2,0,0]=4 324 B11R2.106 C1CC2=C(C=CO2)C(=O)C1 D104210 [0,1,0,1,0,0|0,0,2]=4 325 B11R2.106 CC1=C2C(=CC=C1)C=CN2 M107954 [0,1,0,1,0,0|2,0,0]=4 326 B11R2.106 CC1=C2C=CNC2=CC=C1 M107956 [0,1,0,1,0,0|2,0,0]=4 327 B11R2.106 CC1=C2C=CNC2=NC=C1 M177530 [0,1,0,1,0,0|2,0,0]=4 328 B11R2.10 C1=CC2=C(NC(=O)O2)N=C1 D185536 [0,1,0,1,0,0|2,0,0]=4 329 B11R2.10 C1=CC=C2C(=C1)C=C(N2)I I588481 [0,1,0,1,0,0|2,0,0]=4 330 B11R2.10 C1=CC=C2C(=C1)C=C(O2)Br B589404 [0,1,0,1,0,0|1,0,0]=3 331 B11R2.10 C1=CC=C2C(=C1)C=C(S2)Br B185084 [0,1,0,1,0,0|1,1,0]=4 332 B11R2.10 C1=CC=C2C(=C1)C=C(S2)I I169943 [0,1,0,1,0,0|1,1,0]=4 333 B11R2.10 C1=CC=C2C(=C1)N=C(O2)Cl C153565 [0,1,0,1,0,0|2,0,0]=4 334 B11R2.10 C1=CC=C2C(=C1)N=C(O2)N B137603 [0,1,0,1,0,0|2,0,0]=4 335 B11R2.10 C1=CC=C2C(=C1)NC(=O)O2 B111321 [0,1,0,1,0,0|2,0,0]=4 336 B11R2.10 C1=CC=C2C(=C1)NC(=S)O2 M111103 [0,1,0,1,0,0|2,0,0]=4 337 B11R2.10 C1C2=CC=CC=C2C=C1Br B124235 [0,1,0,1,0,0|2,0,0]=4 338 B11R2.10 C1C2=CC=CC=C2OC1=O C103572 [0,1,0,1,0,0|1,0,1]=4 339 B11R2.10 CC1=CC2=C(N1)C=CC=N2 M304502 [0,1,0,1,0,0|2,0,0]=4 340 B11R2.10 CC1=CC2=CC=CC=C2N1 M100903 [0,1,0,1,0,0|2,0,0]=4 341 B11R2.10 CC1=CC2=CC=CC=C2O1 M135139 [0,1,0,1,0,0|1,0,0]=3 342 B11R2.10 CC1=CC2=CC=CC=C2S1 M158052 [0,1,0,1,0,0|1,1,0]=4 343 B11R2.10 CC1=NC2=C(O1)C=CC=N2 M187240 [0,1,0,1,0,0|2,0,0]=4 344 B11R2.10 CC1=NC2=CC=CC=C2O1 M158477 [0,1,0,1,0,0|2,0,0]=4 345 B11R2.18 C1=CC=C2C=CC=C2C=C1 A151375 [0,1,0,1,0,0|2,0,0]=4 346 B11R2.36 C1=CC(=CC2=C1C=CN2)Br B123498 [0,1,0,1,0,0|2,0,0]=4 347 B11R2.36 C1=CC(=CC2=C1C=CN2)Cl C123500 [0,1,0,1,0,0|2,0,0]=4 348 B11R2.36 C1=CC(=CC2=C1C=CN2)F F111471 [0,1,0,1,0,0|2,0,0]=4 349 B11R2.36 C1=CC(=CC2=C1C=CN2)N A119320 [0,1,0,1,0,0|2,0,0]=4 350 B11R2.36 C1=CC(=CC2=C1C=CN2)O H102255 [0,1,0,1,0,0|2,0,0]=4 351 B11R2.36 C1=CC(=CC2=C1C=CO2)Br B173227 [0,1,0,1,0,0|1,0,0]=3 352 B11R2.36 C1=CC(=CC2=C1C=CO2)N B586369 [0,1,0,1,0,0|1,0,0]=3 353 B11R2.36 C1=CC(=CC2=C1C=CS2)Br B133149 [0,1,0,1,0,0|1,1,0]=4 354 B11R2.36 C1=CC(=NC2=C1NC=C2)Cl C124823 [0,1,0,1,0,0|2,0,0]=4 355 B11R2.36 C1=CC(=NC2=C1NC=C2)F F195603 [0,1,0,1,0,0|2,0,0]=4 356 B11R2.36 C1=CC(=NC2=C1SC=C2)Cl C177088 [0,1,0,1,0,0|1,1,0]=4 357 B11R2.36 C1=CC(=O)NC2=C1C=CN2 H589458 [0,1,0,1,0,0|2,0,0]=4 358 B11R2.36 C1=CC2=C(C=C1Br)N=CO2 B166962 [0,1,0,1,0,0|2,0,0]=4 359 B11R2.36 C1=CC2=C(C=C1Br)OC=N2 B184114 [0,1,0,1,0,0|2,0,0]=4 360 B11R2.36 C1=CC2=C(C=C1Cl)N=CO2 C167876 [0,1,0,1,0,0|2,0,0]=4 361 B11R2.36 C1=CC2=C(C=C1Cl)OC=N2 C182978 [0,1,0,1,0,0|2,0,0]=4 362 B11R2.36 C1=CC2=C(C=CN2)C=C1Br B111473 [0,1,0,1,0,0|2,0,0]=4 363 B11R2.36 C1=CC2=C(C=CN2)C=C1Cl C119122 [0,1,0,1,0,0|2,0,0]=4 364 B11R2.36 C1=CC2=C(C=CN2)C=C1F F111474 [0,1,0,1,0,0|2,0,0]=4 365 B11R2.36 C1=CC2=C(C=CN2)C=C1I I122983 [0,1,0,1,0,0|2,0,0]=4 366 B11R2.36 C1=CC2=C(C=CN2)C=C1N A107386 [0,1,0,1,0,0|2,0,0]=4 367 B11R2.36 C1=CC2=C(C=CN2)C=C1O H105520 [0,1,0,1,0,0|1,0,1]=4 368 B11R2.36 C1=CC2=C(C=CO2)C=C1Br B168831 [0,1,0,1,0,0|1,0,0]=3 369 B11R2.36 C1=CC2=C(C=CS2)C=C1Br B101866 [0,1,0,1,0,0|1,1,0]=4 370 B11R2.36 C1=CC2=C(C=CS2)C=C1Cl C135346 [0,1,0,1,0,0|1,1,0]=4 371 B11R2.36 C1=CC2=NC=CN2NC1=O I171056 [0,1,0,1,0,0|2,0,0]=4 372 B11R2.36 C1=CNC2=C1N=CC(=C2)Br B139476 [0,1,0,1,0,0|2,0,0]=4 373 B11R2.36 C1=CNC2=C1N=CC(=C2)Cl C586160 [0,1,0,1,0,0|2,0,0]=4 374 B11R2.36 C1=CNC2=C1N=CC(=C2)I I165431 [0,1,0,1,0,0|2,0,0]=4 375 B11R2.36 C1=COC2=NC=C(C=C21)Br B182894 [0,1,0,1,0,0|2,0,0]=4 376 B11R2.36 CC1=CC2=C(C=C1)C=CN2 M107953 [0,1,0,1,0,0|2,0,0]=4 377 B11R2.36 CC1=CC2=C(C=C1)NC=C2 M113638 [0,1,0,1,0,0|2,0,0]=4 378 B11R2.36 CC1=CC2=C(C=C1)OC=N2 M158471 [0,1,0,1,0,0|2,0,0]=4 379 B11R2.36 CC1=CC2=C(C=C1)SC=C2 M158051 [0,1,0,1,0,0|1,1,0]=4