0 B12R1.75 C#CC1=C(CC(N)=O)C=CC=C1 MC112241 [0,0,0,0,0,0|3,0,1]=4 1 B12R1.75 COC1=C(CC(=O)O)C=CC=C1 CS16300 [0,0,0,0,0,0|2,0,0]=2 2 B12R1.75 COC1=C(OC(C)=O)C=CC=C1 MC40006 [0,0,0,0,0,0|0,0,0]=0 3 B12R1.75 N#CC1=C(CC(=O)O)C=CC=C1 CS20129 [0,0,0,0,0,0|4,0,0]=4 4 B12R1.75 O=C(O)CC1=C(CCl)C=CC=C1 MC40157 [0,0,0,0,0,0|4,0,0]=4 5 B11R1.41 CCOC1=C(C#N)C=CC=C1 MC33181 [1,0,0,0,0,0|2,0,1]=4 6 B11R1.41 CCOC1=C(OC)C=CC=C1 MC433385 [1,0,0,0,0,0|0,0,1]=2 7 B11R1.41 COC1=C(CCO)C=CC=C1 CS15749 [1,0,0,0,0,0|1,0,2]=4 8 B11R1.86 CC(=O)CC1=C(Cl)C=CC=C1 MC10294 [1,0,0,0,0,0|2,0,0]=3 9 B11R1.86 CC(=O)CC1=C(F)C=CC=C1 MC10318 [1,0,0,0,0,0|2,0,0]=3 10 B11R1.86 CC(=O)NC1=C(Br)C=CC=C1 MC427446 [1,0,0,0,0,0|2,0,0]=3 11 B11R1.86 CC(=O)NC1=C(O)C=CC=C1 CS21203 [1,0,0,0,0,0|1,0,0]=2 12 B11R1.86 CC(=O)NC1=NC=CC=C1O MC427313 [1,0,0,0,0,0|2,0,0]=3 13 B11R1.86 CC(=O)OC1=C(C)C=CC=C1 MC40007 [1,0,0,0,0,0|0,0,0]=1 14 B11R1.86 CC(=S)NC1=C(Br)C=CC=C1 MC427451 [1,0,0,0,0,0|2,1,0]=4 15 B11R1.86 CC(C)OC1=C(N)C=CC=C1 CS13469 [1,0,0,0,0,0|2,0,1]=4 16 B11R1.86 CC1=C(CC(=O)O)C=CC=C1 CS21083 [1,0,0,0,0,0|2,0,0]=3 17 B11R1.86 NC1=C(CC(=O)O)C=CC=C1 CS20995 [1,0,0,0,0,0|3,0,0]=4 18 B11R1.86 O=C(O)CC1=C(Br)C=CC=C1 CS20809 [1,0,0,0,0,0|3,0,0]=4 19 B11R1.86 O=C(O)CC1=C(Cl)C=CC=C1 CS20826 [1,0,0,0,0,0|3,0,0]=4 20 B11R1.86 O=C(O)CC1=C(F)C=CC=C1 MC429403 [1,0,0,0,0,0|3,0,0]=4 21 B11R1.86 O=C(O)CC1=C(I)C=CC=C1 CS20849 [1,0,0,0,0,0|3,0,0]=4 22 B11R1.86 O=C(O)CC1=C(O)C=CC=C1 CS20941 [1,0,0,0,0,0|2,0,0]=3 23 B11R1.86 OC1=C(OC(F)F)C=CC=C1 MC431136 [1,0,0,0,0,0|2,0,1]=4 24 B13R1.51 CC(=O)OC1=C(C#N)C=C(Br)C=C1 MC106985 [0,1,0,0,0,0|2,0,0]=3 25 B13R1.51 CCC1=C(OC(=O)O)C=CC(F)=C1 MC105960 [0,1,0,0,0,0|2,0,0]=3 26 B13R1.51 COC1=C(CC(=O)O)C=CC(Br)=C1 CS15729 [0,1,0,0,0,0|2,0,0]=3 27 B13R1.51 COC1=C(CC(=O)O)C=CC(F)=C1 MC103359 [0,1,0,0,0,0|2,0,0]=3 28 B13R1.89 COC1=C(C(C)C(=O)O)C=CC=C1 CS15699 [0,1,0,0,0,0|2,0,0]=3 29 B13R1.91 COC(=O)CC1=C(C#N)C=CC=C1 MC433944 [0,1,0,0,0,0|3,0,0]=4 30 B13R1.2135 COC1=CC=CC(F)=C1CC(=O)O CS14556 [0,1,0,0,0,0|2,0,0]=3 31 B13R1.3089 COC1=C(CC(=O)O)C=C(Br)C=C1 MC40150 [0,1,0,0,0,0|2,0,0]=3 32 B13R1.3089 COC1=C(CC(=O)O)C=C(F)C=C1 MC40170 [0,1,0,0,0,0|2,0,0]=3 33 B13R1.3089 COC1=C(OC(C)=O)C=C(C)C=C1 MC429368 [0,1,0,0,0,0|0,0,0]=1 34 B13R1.3089 COC1=C(OC(C)C)C=C(N)C=C1 MC112103 [0,1,0,0,0,0|1,0,1]=3 35 B13R2.72 CC(=O)C1=CNC2=CC=CC=C21 CS10069 [0,0,0,1,0,0|2,0,1]=4 36 B13R2.72 CC(=O)C1=NNC2=CC=CC=C21 CS20379 [0,0,0,1,0,0|3,0,0]=4 37 B13R2.72 O=C(O)C1=NOC2=C1C=CC=C2 CS20483 [0,0,0,1,0,0|3,0,0]=4 38 B13R2.72 O=C(O)C1CCC2=CC=CC=C21 CS20735 [0,0,0,1,0,0|3,0,0]=4 39 B13R2.72 O=C(O)C1CNC2=CC=CC=C21 MC106638 [0,0,0,1,0,0|3,0,0]=4 40 B13R2.163 O=C1CCCC2=C(C=CC=C2)N1 CS10012 [0,0,0,1,0,0|2,0,0]=3 41 B13R2.163 O=C1COCC2=C(C=CC=C2)N1 MC431588 [0,0,0,1,0,0|3,0,0]=4 42 B13R2.328 CC1=NC2=CC=CC=C2C(C)=N1 MC113274 [0,0,0,1,0,0|3,0,0]=4 43 B13R2.328 CN1CC(=O)NC2=CC=CC=C21 MC107481 [0,0,0,1,0,0|2,0,0]=3 44 B13R2.328 O=C1NC(=O)C2=C(C=CC=C2)O1 MC30198 [0,0,0,1,0,0|3,0,0]=4 45 B13R2.581 COC1=C2CC(=O)NC2=CC=C1 CS22921 [0,0,0,1,0,0|2,0,0]=3 46 B13R2.581 COC1=CC=CC2=C1N=C(Cl)S2 CS16571 [0,0,0,1,0,0|2,1,0]=4 47 B13R2.581 COC1=CC=CC2=C1N=C(N)S2 CS20925 [0,0,0,1,0,0|2,1,0]=4 48 B13R2.581 COC1=CC=CC2=C1NC(=O)S2 CS20854 [0,0,0,1,0,0|2,0,0]=3 49 B13R2.621 COC1=NC=CC=C1OC2CC2 MC445622 [0,0,0,1,0,0|2,0,1]=4 50 B11R1.53 C=CC1=C(C(=O)O)C=CC=C1 CS16516 [0,0,0,0,1,0|2,0,1]=4 51 B11R1.53 CC(=O)C1=C(C#N)C=CC=C1 CS21523 [0,0,0,0,1,0|2,0,0]=3 52 B11R1.53 CCC1=C(C(=O)O)C=CC=C1 CS15281 [0,0,0,0,1,0|2,0,0]=3 53 B11R1.53 CCC1=C(C(=O)O)C=CC=N1 CS12568 [0,0,0,0,1,0|3,0,0]=4 54 B11R1.53 CCC1=C(C(=O)O)C=CN=C1 CS15310 [0,0,0,0,1,0|3,0,0]=4 55 B11R1.53 COC1=C(B(O)O)C=CC=C1 CS20142 [0,0,0,0,1,0|2,0,1]=4 56 B11R1.53 COC1=C(C(=O)Cl)C=CC=C1 MC40492 [0,0,0,0,1,0|1,0,0]=2 57 B11R1.53 COC1=C(C(=O)O)C=CC=C1 CS15086 [0,0,0,0,1,0|1,0,0]=2 58 B11R1.53 COC1=C(C(=O)O)C=CC=N1 CS20330 [0,0,0,0,1,0|2,0,0]=3 59 B11R1.53 COC1=C(C(=O)O)C=CN=C1 CS10492 [0,0,0,0,1,0|2,0,0]=3 60 B11R1.53 COC1=C(C(C)=O)C=CC=C1 MC41261 [0,0,0,0,1,0|0,0,0]=1 61 B11R1.53 COC1=C(C(C)=O)C=CN=C1 MC105760 [0,0,0,0,1,0|1,0,0]=2 62 B11R1.53 COC1=C(C(C)=O)C=NC=C1 MC102690 [0,0,0,0,1,0|1,0,0]=2 63 B11R1.53 COC1=C(C(C)N)C=CC=C1 CS15754 [0,0,0,0,1,0|1,0,1]=3 64 B11R1.53 COC1=C(S(=O)[O-])C=CC=C1 MC106123 [0,0,0,0,1,0|2,0,0]=3 65 B11R1.53 COC1=C([N+](=O)[O-])C=CC=C1 MC41348 [0,0,0,0,1,0|2,0,0]=3 66 B11R1.53 COC1=C([N+](=O)[O-])C=CN=C1 MC33480 [0,0,0,0,1,0|3,0,0]=4 67 B11R1.53 COC1=C([N+](=O)[O-])C=NC=C1 CS19392 [0,0,0,0,1,0|3,0,0]=4 68 B11R1.53 COC1=C([N+](=O)[O-])C=NC=C1 MC33493 [0,0,0,0,1,0|3,0,0]=4 69 B11R1.53 COC1=CC=CN=C1C(=O)O CS22335 [0,0,0,0,1,0|2,0,0]=3 70 B11R1.53 COC1=CC=CN=C1C(C)=O CS16598 [0,0,0,0,1,0|1,0,0]=2 71 B11R1.53 COC1=CC=CN=C1[N+](=O)[O-] CS19391 [0,0,0,0,1,0|3,0,0]=4 72 B11R1.53 COC1=CC=NC=C1C(=O)O CS13273 [0,0,0,0,1,0|2,0,0]=3 73 B11R1.53 COC1=NC=CC=C1C(C)=O MC102691 [0,0,0,0,1,0|1,0,0]=2 74 B11R1.53 COC1=NC=CC=C1[N+](=O)[O-] CS13911 [0,0,0,0,1,0|3,0,0]=4 75 B11R1.53 COC1=NC=CN=C1C(=O)O CS16473 [0,0,0,0,1,0|3,0,0]=4 76 B11R1.53 N#CC1=C(C(=O)O)C=CC=C1 MC40261 [0,0,0,0,1,0|3,0,0]=4 77 B11R1.53 NC(=O)C1=C(CBr)C=CC=C1 CS16759 [0,0,0,0,1,0|3,0,0]=4 78 B11R1.53 O=CC1=C(C(=O)O)C=CC=C1 CS13542 [0,0,0,0,1,0|3,0,0]=4 79 B13R1.90 CC(=O)OCC1=CC=CN=C1C#N MC33428 [0,0,0,0,0,1|3,0,0]=4 80 B13R1.90 O=C(O)COC1=C(CO)C=CC=C1 MC445707 [0,0,0,0,0,1|3,0,0]=4 81 B10R1.4 CCOC1=C(Br)C=CC=C1 MC20149 [2,0,0,0,0,0|1,0,1]=4 82 B10R1.4 CCOC1=C(N)C=CC=C1 CS11823 [2,0,0,0,0,0|1,0,1]=4 83 B10R1.4 CCOC1=C(O)C=CC=C1 MC41194 [2,0,0,0,0,0|0,0,1]=3 84 B10R1.4 CCOC1=CC=CN=C1C MC443397 [2,0,0,0,0,0|1,0,1]=4 85 B10R1.4 CCOC1=CC=CN=C1O MC110935 [2,0,0,0,0,0|1,0,1]=4 86 B10R1.4 O=CCC1=C(F)C=CC=C1 MC431003 [2,0,0,0,0,0|2,0,0]=4 87 B10R1.20 C#CC1=C(OC)C=CC=C1 CS21618 [2,0,0,0,0,0|0,0,2]=4 88 B10R1.20 CCC1=C(C=O)C=CC=C1 MC20141 [2,0,0,0,0,0|1,0,0]=3 89 B10R1.20 CNC1=C(C=O)C=CC=C1 CS17054 [2,0,0,0,0,0|1,0,0]=3 90 B10R1.20 COC1=C(C#N)C=CC=C1 CS19247 [2,0,0,0,0,0|1,0,1]=4 91 B10R1.20 COC1=C(C=O)C=CC=N1 CS20317 [2,0,0,0,0,0|1,0,0]=3 92 B10R1.20 COC1=C(C=O)C=CN=C1 MC442707 [2,0,0,0,0,0|1,0,0]=3 93 B10R1.20 COC1=C(CCl)C=CC=C1 MC20247 [2,0,0,0,0,0|1,0,1]=4 94 B10R1.20 COC1=C(CN)C=CC=C1 CS15681 [2,0,0,0,0,0|1,0,1]=4 95 B10R1.20 COC1=C(NN)C=CC=C1 CS19579 [2,0,0,0,0,0|2,0,0]=4 96 B10R1.20 COC1=C(NN)C=CC=C1 MC433991 [2,0,0,0,0,0|2,0,0]=4 97 B10R1.20 COC1=C(OC)C=CC=C1 CS12067 [2,0,0,0,0,0|0,0,0]=2 98 B10R1.20 COC1=CC=CN=C1OC CS14783 [2,0,0,0,0,0|1,0,0]=3 99 B10R1.20 COC1=CC=NC=C1C=O MC442745 [2,0,0,0,0,0|1,0,0]=3 100 B10R1.20 N#CC1=C(C=O)C=CC=C1 CS15835 [2,0,0,0,0,0|2,0,0]=4 101 B10R1.20 O=CC1=CC=CC=C1C=O MC41138 [2,0,0,0,0,0|2,0,0]=4 102 B10R1.18 CC(=O)CC1=CC=CN=C1 MC102696 [2,0,0,0,0,0|2,0,0]=4 103 B10R1.18 CC(=O)CC1=CC=NC=C1 CS20988 [2,0,0,0,0,0|2,0,0]=4 104 B10R1.18 CC(=O)CC1=NC=CC=C1 CS20802 [2,0,0,0,0,0|2,0,0]=4 105 B10R1.18 CC(=O)NC1=CC=CC=C1 MC34102 [2,0,0,0,0,0|1,0,0]=3 106 B10R1.18 CC(C)OC1=CC=CC=C1 MC41360 [2,0,0,0,0,0|1,0,1]=4 107 B10R1.18 NC(=O)NC1=CC=CC=C1 CS10533 [2,0,0,0,0,0|2,0,0]=4 108 B10R1.18 NC(=O)OC1=CC=CC=C1 MC428148 [2,0,0,0,0,0|1,0,0]=3 109 B10R1.18 O=C(Cl)OC1=CC=CC=C1 CS18823 [2,0,0,0,0,0|1,0,0]=3 110 B10R1.18 O=C([O-])CC1=CC=CC=C1 MC34448 [2,0,0,0,0,0|2,0,0]=4 111 B12R1.121 COC1=C(OCC=O)C=CC=C1 MC112452 [1,1,0,0,0,0|0,0,0]=2 112 B12R1.121 COC1=C(OCCN)C=CC=C1 CS21224 [1,1,0,0,0,0|0,0,1]=3 113 B12R1.121 COC1=C(\C=C\C=O)C=CC=C1 CS15311 [1,1,0,0,0,0|1,0,0]=3 114 B12R1.124 CC(=O)C(Br)C1=C(F)C=CC=C1 MC432040 [1,1,0,0,0,0|2,0,0]=4 115 B12R1.127 CC(=O)NC1=C(Br)C=CC(Br)=C1 MC106796 [1,1,0,0,0,0|2,0,0]=4 116 B12R1.127 CC(=O)NC1=C(Br)C=CC(C)=C1 MC40955 [1,1,0,0,0,0|2,0,0]=4 117 B12R1.127 CC(=O)NC1=C(O)C=CC(Br)=C1 MC427097 [1,1,0,0,0,0|1,0,0]=3 118 B12R1.127 CC(=O)Nc1cc(F)ccc1F MC40960 [1,1,0,0,0,0|2,0,0]=4 119 B12R1.127 CC(=O)Nc1cc(N)ccc1F MC40954 [1,1,0,0,0,0|2,0,0]=4 120 B12R1.127 CC1=C(CC(=O)O)C=C(F)C=C1 MC40172 [1,1,0,0,0,0|2,0,0]=4 121 B12R1.127 CC1=CC(CC(=O)O)=C(C)C=C1 CS11111 [1,1,0,0,0,0|2,0,0]=4 122 B12R1.127 O=C(O)CC1=C(O)C=CC(Br)=C1 MC40147 [1,1,0,0,0,0|2,0,0]=4 123 B12R1.224 CC(=O)NC1=C(Cl)C(C)=CC=C1 MC40957 [1,1,0,0,0,0|2,0,0]=4 124 B12R1.224 CC(C)OC1=CC=CC(Br)=C1O MC442835 [1,1,0,0,0,0|1,0,1]=4 125 B12R1.224 CC1=C(CC(=O)O)C=CC=C1F CS12682 [1,1,0,0,0,0|2,0,0]=4 126 B12R1.224 CC1=CC=CC(CC(=O)O)=C1C MC20108 [1,1,0,0,0,0|2,0,0]=4 127 B12R1.233 CC(=O)NC1=C(Cl)C=C(F)C=C1 MC33128 [1,1,0,0,0,0|2,0,0]=4 128 B12R1.233 CC(=O)NC1=C(O)C=C(F)C=C1 MC427191 [1,1,0,0,0,0|1,0,0]=3 129 B12R1.233 CC(=O)NC1=NC=C(Br)C=C1C MC33486 [1,1,0,0,0,0|2,0,0]=4 130 B12R1.233 CC(=O)Nc1ccc(Cl)cc1F MC40956 [1,1,0,0,0,0|2,0,0]=4 131 B12R1.233 CC1=C(CC(=O)O)C=CC(Br)=C1 MC107511 [1,1,0,0,0,0|2,0,0]=4 132 B12R1.233 O=C(O)CC1=C(O)C=C(F)C=C1 MC429494 [1,1,0,0,0,0|2,0,0]=4 133 B12R1.371 COC(=O)CC1=C(Br)C=CC=C1 CS11591 [1,1,0,0,0,0|2,0,0]=4 134 B12R1.371 COC(=O)CC1=C(Cl)C=CC=C1 CS21677 [1,1,0,0,0,0|2,0,0]=4 135 B12R1.371 COC(=O)CC1=C(N)C=CC=C1 CS11582 [1,1,0,0,0,0|2,0,0]=4 136 B12R1.371 COC(=O)CC1=C(O)C=CC=C1 CS20138 [1,1,0,0,0,0|1,0,0]=3 137 B12R1.1009 CC1=CC=CC(C)=C1CC(=O)O MC431246 [1,1,0,0,0,0|2,0,0]=4 138 B12R1.46 CCC1=C(C(=O)O)C=C(I)C=C1 MC111699 [0,1,0,0,1,0|2,0,0]=4 139 B12R1.46 COC1=C(C(=O)Cl)C=C(F)C=C1 MC40478 [0,1,0,0,1,0|1,0,0]=3 140 B12R1.46 COC1=C(C(=O)O)C=C(Br)C=C1 CS14019 [0,1,0,0,1,0|1,0,0]=3 141 B12R1.46 COC1=C(C(=O)O)C=C(Br)C=N1 CS20188 [0,1,0,0,1,0|2,0,0]=4 142 B12R1.46 COC1=C(C(=O)O)C=C(C)C=C1 MC40300 [0,1,0,0,1,0|1,0,0]=3 143 B12R1.46 COC1=C(C(=O)O)C=C(Cl)C=C1 CS20833 [0,1,0,0,1,0|1,0,0]=3 144 B12R1.46 COC1=C(C(=O)O)C=C(F)C=C1 MC10307 [0,1,0,0,1,0|1,0,0]=3 145 B12R1.46 COC1=C(C(=O)O)C=C(F)C=C1 MC30024 [0,1,0,0,1,0|1,0,0]=3 146 B12R1.46 COC1=C(C(C)=O)C=C(Cl)C=C1 MC442666 [0,1,0,0,1,0|0,0,0]=2 147 B12R1.46 COC1=C(C(C)=O)C=C(F)C=C1 MC41253 [0,1,0,0,1,0|0,0,0]=2 148 B12R1.46 COC1=C([N+](=O)[O-])C=C(Br)C=C1 CS10404 [0,1,0,0,1,0|2,0,0]=4 149 B12R1.46 COC1=C([N+](=O)[O-])C=C(C)C=C1 MC41347 [0,1,0,0,1,0|2,0,0]=4 150 B12R1.46 COC1=C([N+](=O)[O-])C=C(Cl)C=C1 MC41333 [0,1,0,0,1,0|2,0,0]=4 151 B12R1.46 COC1=C([N+](=O)[O-])C=C(F)C=C1 MC433071 [0,1,0,0,1,0|2,0,0]=4 152 B12R1.46 COC1=C([N+](=O)[O-])C=C(I)C=C1 MC41345 [0,1,0,0,1,0|2,0,0]=4 153 B12R1.46 COC1=C([N+](=O)[O-])C=C(N)C=C1 CS20387 [0,1,0,0,1,0|2,0,0]=4 154 B12R1.46 COC1=C([N+](=O)[O-])C=C(O)C=C1 MC20905 [0,1,0,0,1,0|2,0,0]=4 155 B12R1.46 COC1=CC=C(C)N=C1C(=O)O MC111035 [0,1,0,0,1,0|2,0,0]=4 156 B12R1.46 COC1=CN=C(Br)C=C1C(=O)O MC432218 [0,1,0,0,1,0|2,0,0]=4 157 B12R1.57 COC1=C(C(=O)O)C=CC(Br)=C1 CS22649 [0,1,0,0,1,0|1,0,0]=3 158 B12R1.57 COC1=C(C(=O)O)C=CC(Br)=N1 MC431231 [0,1,0,0,1,0|2,0,0]=4 159 B12R1.57 COC1=C(C(=O)O)C=CC(C)=C1 MC40301 [0,1,0,0,1,0|1,0,0]=3 160 B12R1.57 COC1=C(C(=O)O)C=CC(Cl)=C1 CS10785 [0,1,0,0,1,0|1,0,0]=3 161 B12R1.57 COC1=C(C(=O)O)C=CC(Cl)=N1 MC441307 [0,1,0,0,1,0|2,0,0]=4 162 B12R1.57 COC1=C(C(=O)O)C=CC(F)=C1 CS14268 [0,1,0,0,1,0|1,0,0]=3 163 B12R1.57 COC1=C(C(=O)O)C=CC(F)=N1 MC441122 [0,1,0,0,1,0|2,0,0]=4 164 B12R1.57 COC1=C(C(=O)O)C=CC(O)=C1 MC442318 [0,1,0,0,1,0|1,0,0]=3 165 B12R1.57 COC1=C(C(C)=O)C=CC(Br)=C1 CS16731 [0,1,0,0,1,0|0,0,0]=2 166 B12R1.57 COC1=C(C(C)=O)C=CC(F)=C1 MC31158 [0,1,0,0,1,0|0,0,0]=2 167 B12R1.57 COC1=C(C(C)=O)C=NC(N)=C1 MC429827 [0,1,0,0,1,0|1,0,0]=3 168 B12R1.57 COC1=C([N+](=O)[O-])C=CC(Br)=C1 MC433364 [0,1,0,0,1,0|2,0,0]=4 169 B12R1.57 COC1=C([N+](=O)[O-])C=CC(C)=C1 MC433396 [0,1,0,0,1,0|2,0,0]=4 170 B12R1.57 COC1=C([N+](=O)[O-])C=CC(Cl)=C1 MC30061 [0,1,0,0,1,0|2,0,0]=4 171 B12R1.57 COC1=C([N+](=O)[O-])C=CC(F)=C1 CS14411 [0,1,0,0,1,0|2,0,0]=4 172 B12R1.57 COC1=C([N+](=O)[O-])C=CC(N)=C1 CS16631 [0,1,0,0,1,0|2,0,0]=4 173 B12R1.57 COC1=C([N+](=O)[O-])C=CC(O)=C1 CS12660 [0,1,0,0,1,0|2,0,0]=4 174 B12R1.57 COC1=CC(Br)=CN=C1C(C)=O CS17619 [0,1,0,0,1,0|1,0,0]=3 175 B12R1.57 COC1=CC(Cl)=NC=C1C(=O)O CS10679 [0,1,0,0,1,0|2,0,0]=4 176 B12R1.87 COC1=C(C(=O)O)C=CC=C1Cl CS22208 [0,1,0,0,1,0|1,0,0]=3 177 B12R1.87 COC1=C(C(=O)O)C=CC=C1F MC30253 [0,1,0,0,1,0|1,0,0]=3 178 B12R1.87 COC1=C(C(=O)O)C=CC=C1N MC442094 [0,1,0,0,1,0|1,0,0]=3 179 B12R1.87 COC1=C(C(C)=O)C=CC=C1Br MC442667 [0,1,0,0,1,0|0,0,0]=2 180 B12R1.87 COC1=C(C(C)=O)C=CC=C1O MC443238 [0,1,0,0,1,0|0,0,0]=2 181 B12R1.87 COC1=C(Cl)C=CC=C1[N+](=O)[O-] MC433369 [0,1,0,0,1,0|2,0,0]=4 182 B12R1.87 COC1=C(F)C=CC=C1[N+](=O)[O-] MC30065 [0,1,0,0,1,0|2,0,0]=4 183 B12R1.87 COC1=C(F)C=CN=C1C(=O)O MC431069 [0,1,0,0,1,0|2,0,0]=4 184 B12R1.87 COc1c(Br)cccc1[N+](=O)[O-] MC433363 [0,1,0,0,1,0|2,0,0]=4 185 B12R1.261 CC(=O)C1=C(B(O)O)C=CC=C1 MC425394 [0,1,0,0,1,0|2,0,0]=4 186 B12R1.261 CC(=O)C1=C(C(=O)O)C=CC=C1 MC40221 [0,1,0,0,1,0|2,0,0]=4 187 B12R1.261 CC(=O)C1=C([N+](=O)[O-])C=CC=C1 CS14872 [0,1,0,0,1,0|2,0,0]=4 188 B12R1.261 CC(C)C1=C(C(=O)O)C=CC=C1 MC433703 [0,1,0,0,1,0|2,0,0]=4 189 B12R1.437 COC1=C(C(=O)O)C(=O)NC=C1 MC105963 [0,1,0,0,1,0|2,0,0]=4 190 B12R1.437 COC1=C(C(=O)O)C(C)=CC=C1 CS21646 [0,1,0,0,1,0|1,0,0]=3 191 B12R1.437 COC1=C(C(C)=O)C(C)=CC=C1 MC106370 [0,1,0,0,1,0|0,0,0]=2 192 B12R1.437 COC1=C([N+](=O)[O-])C(Br)=CC=C1 MC41323 [0,1,0,0,1,0|2,0,0]=4 193 B12R1.437 COC1=C([N+](=O)[O-])C(C)=CC=C1 MC427414 [0,1,0,0,1,0|2,0,0]=4 194 B12R1.437 COC1=CC=CC(Br)=C1C(=O)O CS21384 [0,1,0,0,1,0|1,0,0]=3 195 B12R1.437 COC1=CC=CC(Br)=C1C(C)=O CS17977 [0,1,0,0,1,0|0,0,0]=2 196 B12R1.437 COC1=CC=CC(C)=C1C(N)=O MC433809 [0,1,0,0,1,0|1,0,0]=3 197 B12R1.437 COC1=CC=CC(Cl)=C1C(=O)O CS12215 [0,1,0,0,1,0|1,0,0]=3 198 B12R1.437 COC1=CC=CC(Cl)=C1C(C)=O CS17184 [0,1,0,0,1,0|0,0,0]=2 199 B12R1.437 COC1=CC=CC(F)=C1C(=O)O CS13643 [0,1,0,0,1,0|1,0,0]=3 200 B12R1.437 COC1=CC=CC(F)=C1C(C)=O MC430014 [0,1,0,0,1,0|0,0,0]=2 201 B12R1.437 COC1=CC=CC(F)=C1C(C)O MC430015 [0,1,0,0,1,0|0,0,2]=4 202 B12R1.437 COC1=CC=CC(F)=C1[N+](=O)[O-] CS12333 [0,1,0,0,1,0|2,0,0]=4 203 B12R1.437 COC1=CC=CC(N)=C1C(=O)O CS21293 [0,1,0,0,1,0|1,0,0]=3 204 B12R1.437 COC1=CC=CC(N)=C1[N+](=O)[O-] MC30050 [0,1,0,0,1,0|2,0,0]=4 205 B12R1.437 COC1=CC=NC(Cl)=C1C(=O)Cl MC106016 [0,1,0,0,1,0|2,0,0]=4 206 B12R1.437 COC1=CC=NC(F)=C1C(=O)O CS16459 [0,1,0,0,1,0|2,0,0]=4 207 B12R1.437 COC1=CN=CC(O)=C1C(=O)O MC432137 [0,1,0,0,1,0|2,0,0]=4 208 B12R1.437 COc1cccc(O)c1C(C)=O MC433242 [0,1,0,0,1,0|0,0,0]=2 209 B14R1.863 COC(=O)CCC1=C(OC)C=CC=C1 MC106255 [0,1,0,0,0,1|1,0,0]=3 210 B14R1.1600 CCC1=C(OCC(=O)Cl)C=CC(F)=C1 MC106013 [0,1,0,0,0,1|2,0,0]=4 211 B14R1.3135 COC1=C(CC(N)C(=O)O)C=CC=C1 CS13888 [0,1,0,0,0,1|2,0,0]=4 212 B14R1.101 COC1=C(OC(C)=O)C=CC(C=O)=C1 CS22533 [0,2,0,0,0,0|0,0,0]=2 213 B14R1.101 COC1=C(OC(C)C)C=CC(CCl)=C1 MC433868 [0,2,0,0,0,0|1,0,1]=4 214 B14R1.101 COC1=CC(OC)=C(CC(=O)O)C=C1 CS11128 [0,2,0,0,0,0|2,0,0]=4 215 B14R1.786 CC(C)OC1=C(OCCBr)C=CC=C1 MC112265 [0,2,0,0,0,0|1,0,1]=4 216 B14R1.786 CC(C)OC1=C(OCCN)C=CC=C1 MC112316 [0,2,0,0,0,0|1,0,1]=4 217 B14R1.814 O=C(O)CC1=C(OC(F)F)C=CC=C1 CS20907 [0,2,0,0,0,0|2,0,0]=4 218 B14R1.3723 COC1=CC(CC(=O)O)=C(OC)C=C1 MC40165 [0,2,0,0,0,0|2,0,0]=4 219 B12R1.19 CC(=O)OC1=CC(C)=C(Cl)C=C1 MC40003 [0,0,1,1,0,0|2,0,0]=4 220 B12R1.440 COC1=CC=CC(C(C)=O)=C1O MC103731 [0,0,1,1,0,0|2,0,0]=4 221 B12R1.453 COC1=CC(C(C)=O)=C(O)C=C1 MC446638 [0,0,1,1,0,0|2,0,0]=4 222 B12R2.18 CC1=CC2=CC=CC=C2N1C CS10010 [1,0,0,1,0,0|2,0,0]=4 223 B12R2.18 CN1C(=O)OC2=C1C=CC=C2 MC10211 [1,0,0,1,0,0|1,0,0]=3 224 B12R2.24 O=C1CCC2=C(C=CC=C2)C1 MC440135 [1,0,0,1,0,0|2,0,0]=4 225 B12R2.24 O=C1CCC2=CC=CC=C2N1 CS11038 [1,0,0,1,0,0|2,0,0]=4 226 B12R2.24 O=C1CCc2ccccc2O1 MC41795 [1,0,0,1,0,0|1,0,0]=3 227 B12R2.24 O=C1COC2=C(C=CC=C2)N1 CS21568 [1,0,0,1,0,0|1,0,0]=3 228 B12R2.24 O=C1COC2=C(C=CN=C2)N1 MC425525 [1,0,0,1,0,0|2,0,0]=4 229 B12R2.24 O=C1COC2=C(C=NC=C2)N1 MC425642 [1,0,0,1,0,0|2,0,0]=4 230 B12R2.24 O=C1CSC2=CC=CC=C2C1 MC107174 [1,0,0,1,0,0|1,1,0]=4 231 B12R2.315 COC1=C2C=CNC2=CC=C1 CS21717 [1,0,0,1,0,0|2,0,0]=4 232 B12R2.315 COC1=C2CNCC2=CC=C1 CS17395 [1,0,0,1,0,0|2,0,0]=4 233 B12R2.315 COC1=C2CNCC2=CC=C1 MC107634 [1,0,0,1,0,0|2,0,0]=4 234 B12R2.315 COC1=C2OC=CC2=CC=N1 MC104057 [1,0,0,1,0,0|1,0,1]=4 235 B12R2.315 COC1=CC=CC2=C1OC=C2 CS21625 [1,0,0,1,0,0|0,0,1]=3 236 B12R2.95 CC1(C)OC2=C(C=CC=C2)O1 CS17049 [1,0,0,1,0,0|1,0,1]=4 237 B12R2.202 CC1=C2CC(=O)NC2=CC=C1 CS22978 [1,0,0,1,0,0|2,0,0]=4 238 B12R2.202 CC1=NC2=C(O1)C(Br)=CC=C2 CS12799 [1,0,0,1,0,0|2,0,0]=4 239 B12R2.202 O=C1CC2=CC=CC(Br)=C2N1 CS14679 [1,0,0,1,0,0|2,0,0]=4 240 B12R2.202 O=C1CC2=CC=CC(Cl)=C2C1 CS22741 [1,0,0,1,0,0|2,0,0]=4 241 B12R2.202 O=C1CC2=CC=CC(Cl)=C2N1 MC10111 [1,0,0,1,0,0|2,0,0]=4 242 B12R2.202 O=C1CC2=CC=CC(F)=C2N1 MC10168 [1,0,0,1,0,0|2,0,0]=4 243 B12R2.202 O=C1NC2=C(O1)C(Br)=CC=C2 CS14681 [1,0,0,1,0,0|2,0,0]=4 244 B12R2.2028 O=C1CC(Br)C2=CC=CC=C12 CS22129 [0,0,0,1,1,0|2,0,0]=4 245 B14R2.2 CC(=O)OC1=CNC2=CC=CC=C21 MC426069 [0,0,0,1,0,1|1,0,1]=4 246 B14R2.450 CC1=C(C(=O)O)OC2=C1C=CC=C2 MC41799 [0,0,0,1,0,1|2,0,0]=4 247 B14R2.781 O=C(O)C1COC2=C(C=CC=C2)O1 CS14213 [0,0,0,1,0,1|1,0,0]=3 248 B14R2.781 O=C(O)C1COC2=C(C=CC=C2)O1 CS15696 [0,0,0,1,0,1|1,0,0]=3 249 B14R2.781 O=C(O)C1COC2=C(C=CC=C2)O1 CS15697 [0,0,0,1,0,1|1,0,0]=3 250 B14R2.1073 COC1=C2CCC(=O)CC2=CC=C1 CS10074 [0,0,0,1,0,1|1,0,0]=3 251 B14R2.11625 COC1=C(OCC2CO2)C=CC=C1 CS13957 [0,0,0,1,0,1|0,0,2]=4 252 B14R2.8235 CC1=CC(=O)OC2=CC=C(O)C=C12 MC440304 [0,1,0,1,0,0|1,0,1]=4 253 B14R2.11690 COC1=C2C(=O)C(=O)NC2=CC=C1 CS15542 [0,1,0,1,0,0|2,0,0]=4 254 B14R2.25733 CC(=O)C1=CN(C)C2=CC=CC=C12 MC430696 [0,1,0,1,0,0|2,0,0]=4 255 B14R2.25733 CC(=O)C1=NN(C)C2=CC=CC=C21 CS13048 [0,1,0,1,0,0|2,0,0]=4 256 B14R2.25733 CC(=O)N1CC(=O)C2=CC=CC=C21 CS20587 [0,1,0,1,0,0|2,0,0]=4 257 B14R2.287 CC1=NCC(=O)NC2=C1C=CC=C2 MC116462 [0,1,0,1,0,0|2,0,0]=4 258 B14R2.287 O=C1CCC(=O)C2=C(C=CC=C2)N1 MC104102 [0,1,0,1,0,0|2,0,0]=4 259 B14R2.741 O=C1NC2=C(C=CC=C2)CCC1Br CS10004 [0,1,0,1,0,0|2,0,0]=4 260 B14R2.11645 COC1=C2NC(=O)C(=O)C2=CC=C1 CS10823 [0,1,0,1,0,0|1,0,1]=4 261 B14R2.9440 CC(=O)OC1=C2C=CNC2=CC=C1 MC10295 [0,1,0,1,0,0|1,0,1]=4 262 B14R2.642 CC(=O)N1C(C)=NC2=C1C=CC=C2 MC33418 [0,1,0,1,0,0|2,0,0]=4 263 B14R2.29365 CC1=CC(=O)OC2=CC(N)=CC=C12 CS11356 [0,1,0,1,0,0|1,0,1]=4 264 B14R2.29365 CC1=CC(=O)OC2=CC(S)=CC=C12 MC443166 [0,1,0,1,0,0|1,0,1]=4 265 B10R1.61 CC(=O)C1=C(Br)C=CC=C1 CS18866 [1,0,0,0,1,0|1,0,0]=3 266 B10R1.61 CC(=O)C1=C(C)C=CC=C1 CS19710 [1,0,0,0,1,0|0,0,0]=2 267 B10R1.61 CC(=O)C1=C(Cl)C=CC=C1 MC41234 [1,0,0,0,1,0|1,0,0]=3 268 B10R1.61 CC(=O)C1=C(F)C=CC=C1 CS15490 [1,0,0,0,1,0|1,0,0]=3 269 B10R1.61 CC(=O)C1=C(F)C=NC=C1 MC113260 [1,0,0,0,1,0|2,0,0]=4 270 B10R1.61 CC(=O)C1=C(N)C=CC=C1 CS19948 [1,0,0,0,1,0|1,0,0]=3 271 B10R1.61 CC(=O)C1=C(N)C=NC=C1 MC427146 [1,0,0,0,1,0|2,0,0]=4 272 B10R1.61 CC(=O)C1=C(O)C=CC=C1 CS15026 [1,0,0,0,1,0|0,0,0]=2 273 B10R1.61 CC(=O)C1=C(O)C=NC=C1 MC427306 [1,0,0,0,1,0|1,0,0]=3 274 B10R1.61 CC(=O)C1=CC=CN=C1Br CS18506 [1,0,0,0,1,0|2,0,0]=4 275 B10R1.61 CC(=O)C1=CC=CN=C1Cl CS18365 [1,0,0,0,1,0|2,0,0]=4 276 B10R1.61 CC(=O)C1=CC=CN=C1O MC427454 [1,0,0,0,1,0|1,0,0]=3 277 B10R1.61 CC(=O)C1=CN=CN=C1C CS17792 [1,0,0,0,1,0|2,0,0]=4 278 B10R1.61 CC(=O)C1=NC=CC=C1Br CS16209 [1,0,0,0,1,0|2,0,0]=4 279 B10R1.61 CC(=O)C1=NC=CC=C1Cl MC425055 [1,0,0,0,1,0|2,0,0]=4 280 B10R1.61 CC(=O)C1=NC=CC=C1F CS16198 [1,0,0,0,1,0|2,0,0]=4 281 B10R1.61 CC(=O)C1=NC=CC=C1O CS14450 [1,0,0,0,1,0|1,0,0]=3 282 B10R1.61 CC1=C(C(=O)O)C=CC=C1 CS19823 [1,0,0,0,1,0|1,0,0]=3 283 B10R1.61 CC1=C(C(=O)O)C=CC=N1 CS18975 [1,0,0,0,1,0|2,0,0]=4 284 B10R1.61 CC1=C(C(=O)O)C=CN=C1 CS22360 [1,0,0,0,1,0|2,0,0]=4 285 B10R1.61 CC1=C(C(N)=O)C=CC=N1 CS22408 [1,0,0,0,1,0|2,0,0]=4 286 B10R1.61 CC1=C(C(N)=O)C=NC=C1 MC33526 [1,0,0,0,1,0|2,0,0]=4 287 B10R1.61 CC1=C([N+](=O)[O-])C=CC=C1 MC41522 [1,0,0,0,1,0|2,0,0]=4 288 B10R1.61 CC1=CC=CN=C1C(=O)O CS19680 [1,0,0,0,1,0|2,0,0]=4 289 B10R1.61 CC1=CC=NC=C1C(=O)O CS22976 [1,0,0,0,1,0|2,0,0]=4 290 B10R1.61 CC1=CC=NC=C1C(=O)O CS22977 [1,0,0,0,1,0|2,0,0]=4 291 B10R1.61 CN(C)C1=C(O)C=CC=C1 CS14782 [1,0,0,0,1,0|2,0,0]=4 292 B10R1.61 Cc1ccccc1C(C)Br MC106119 [1,0,0,0,1,0|1,0,1]=4 293 B10R1.61 NC(=O)C1=C(Br)C=CC=C1 CS20174 [1,0,0,0,1,0|2,0,0]=4 294 B10R1.61 NC(=O)C1=C(F)C=CC=C1 MC41021 [1,0,0,0,1,0|2,0,0]=4 295 B10R1.61 NC(=O)C1=C(I)C=CC=C1 MC433808 [1,0,0,0,1,0|2,0,0]=4 296 B10R1.61 NC(=O)C1=C(O)C=CC=C1 CS11941 [1,0,0,0,1,0|1,0,0]=3 297 B10R1.61 O=C(Cl)C1=C(Br)C=CC=C1 MC40438 [1,0,0,0,1,0|2,0,0]=4 298 B10R1.61 O=C(Cl)C1=C(F)C=CC=C1 MC40472 [1,0,0,0,1,0|2,0,0]=4 299 B10R1.61 O=C(Cl)C1=C(I)C=CC=C1 CS19188 [1,0,0,0,1,0|2,0,0]=4 300 B10R1.61 O=C(O)C1=C(Br)C=CC=C1 CS16216 [1,0,0,0,1,0|2,0,0]=4 301 B10R1.61 O=C(O)C1=C(F)C=CC=C1 CS10366 [1,0,0,0,1,0|2,0,0]=4 302 B10R1.61 O=C(O)C1=C(I)C=CC=C1 CS20137 [1,0,0,0,1,0|2,0,0]=4 303 B10R1.61 O=C(O)C1=C(O)C=CC=C1 MC40289 [1,0,0,0,1,0|1,0,0]=3 304 B10R1.61 O=C(O)C1=C(O)C=NC=C1 CS22995 [1,0,0,0,1,0|2,0,0]=4 305 B10R1.61 O=C(O)C1=C(S)C=CC=C1 MC40297 [1,0,0,0,1,0|1,1,0]=4 306 B10R1.61 O=C(O)C1=CN=CC=C1O CS15271 [1,0,0,0,1,0|2,0,0]=4 307 B10R1.61 O=C(O)C1=NC=CC=C1O CS22996 [1,0,0,0,1,0|2,0,0]=4 308 B10R1.61 O=C([O-])C1=C(Cl)C=CC=C1 MC40335 [1,0,0,0,1,0|2,0,0]=4 309 B10R1.61 O=C([O-])C1=C(F)C=CC=C1 MC40349 [1,0,0,0,1,0|2,0,0]=4 310 B10R1.61 O=[N+]([O-])C1=C(O)C=CC=C1 CS21724 [1,0,0,0,1,0|2,0,0]=4 311 B10R1.39 COC1=CSC=C1C(=O)O CS19448 [0,0,0,0,2,0|2,0,0]=4