0 B11R1.74 CC1=CC(=CC(=C1)Br)C(=O)O Z1205656813 [0,0,0,0,0,0|4,0,0]=4 1 B11R1.74 CC1=CC(=CC(=C1)C(=O)O)C Z104476972 [0,0,0,0,0,0|4,0,0]=4 2 B11R1.74 CC1=CC(=CC(=C1)Cl)C(=O)O Z1198280234 [0,0,0,0,0,0|4,0,0]=4 3 B11R1.74 CC1=CC(=CC(=C1)F)C(=O)O Z1201622041 [0,0,0,0,0,0|4,0,0]=4 4 B11R1.74 CC1=CC(=CC(=C1)N)C(=O)O Z1079174668 [0,0,0,0,0,0|4,0,0]=4 5 B11R1.74 CC1=CC(=CC(=C1)O)C(=O)O Z1198232670 [0,0,0,0,0,0|3,0,1]=4 6 B11R1.74 CC1=CC(=CC(=N1)C)C(=O)O Z3234892100 [0,0,0,0,0,0|3,0,1]=4 7 B11R1.74 CC1=CC(=CC(=O)N1)C(=O)O Z1198178343 [0,0,0,0,0,0|2,0,0]=2 8 B11R1.74 CC1=CC(=NC(=C1)Br)C(=O)O Z1269120539 [0,0,0,0,0,0|3,0,1]=4 9 B11R1.74 CC1=CC(=NC(=C1)C)C(=O)O Z2004548076 [0,0,0,0,0,0|3,0,1]=4 10 B11R1.74 CC1=CC(=NC(=C1)Cl)C(=O)O Z1198233196 [0,0,0,0,0,0|3,0,1]=4 11 B11R1.74 CC1=CC(=O)NC(=C1)C(=O)O Z2213893336 [0,0,0,0,0,0|2,0,0]=2 12 B11R1.74 CC1=NC(=CC(=C1)C(=O)O)Br Z1269142163 [0,0,0,0,0,0|3,0,1]=4 13 B11R1.74 CC1=NC(=CC(=C1)C(=O)O)Cl Z1203161820 [0,0,0,0,0,0|3,0,1]=4 14 B11R1.74 CC1=NC(=CC(=N1)Cl)C(=O)O Z1255426069 [0,0,0,0,0,0|2,0,2]=4 15 B11R1.74 CC1=NC(=CC(=O)N1)C(=O)O Z2830621415 [0,0,0,0,0,0|1,0,1]=2 16 B11R1.74 CC1=NC(=NC(=C1)C(=O)O)C Z965072050 [0,0,0,0,0,0|2,0,2]=4 17 B11R1.74 CC1=NC(=NC(=C1)C(=O)O)Cl Z1198155296 [0,0,0,0,0,0|2,0,2]=4 18 B11R1.74 CC1=NC(=O)NC(=C1)C(=O)O Z426199850 [0,0,0,0,0,0|1,0,1]=2 19 B11R1.74 NC(=O)C1=CC(=O)NC(=O)N1 Z33546649 [0,0,0,0,0,0|1,0,0]=1 20 B11R1.74 NC1=CC(=CC(=C1)Br)C(=O)O Z57470132 [0,0,0,0,0,0|4,0,0]=4 21 B11R1.74 NC1=CC(=CC(=C1)C(=O)O)N Z104475660 [0,0,0,0,0,0|4,0,0]=4 22 B11R1.74 NC1=CC(=CC(=C1)Cl)C(=O)O Z1079174624 [0,0,0,0,0,0|4,0,0]=4 23 B11R1.74 NC1=CC(=CC(=C1)I)C(=O)O Z1079174574 [0,0,0,0,0,0|4,0,0]=4 24 B11R1.74 NC1=CC(=CC(=C1)O)C(=O)O Z1198170625 [0,0,0,0,0,0|3,0,1]=4 25 B11R1.74 NC1=NC(=CC(=C1)C(=O)O)Cl Z385470930 [0,0,0,0,0,0|3,0,1]=4 26 B11R1.74 NC1=NC(=NC(=C1)C(=O)O)N Z1255441046 [0,0,0,0,0,0|2,0,2]=4 27 B11R1.74 O=C(O)C1=CC(=CC(=C1)Br)I Z1269214487 [0,0,0,0,0,0|4,0,0]=4 28 B11R1.74 O=C(O)C1=CC(=CC(=C1)Cl)Br Z1269235666 [0,0,0,0,0,0|4,0,0]=4 29 B11R1.74 O=C(O)C1=CC(=CC(=C1)Cl)Cl Z104476064 [0,0,0,0,0,0|4,0,0]=4 30 B11R1.74 O=C(O)C1=CC(=CC(=C1)Cl)I Z1269204711 [0,0,0,0,0,0|4,0,0]=4 31 B11R1.74 O=C(O)C1=CC(=CC(=C1)F)Br Z406678876 [0,0,0,0,0,0|4,0,0]=4 32 B11R1.74 O=C(O)C1=CC(=CC(=C1)F)Cl Z1203161797 [0,0,0,0,0,0|4,0,0]=4 33 B11R1.74 O=C(O)C1=CC(=CC(=C1)F)F Z104485974 [0,0,0,0,0,0|4,0,0]=4 34 B11R1.74 O=C(O)C1=CC(=CC(=C1)I)I Z277540160 [0,0,0,0,0,0|4,0,0]=4 35 B11R1.74 O=C(O)C1=CC(=CC(=C1)O)Cl Z1198164258 [0,0,0,0,0,0|3,0,1]=4 36 B11R1.74 O=C(O)C1=CC(=CC(=C1)O)O Z1255485190 [0,0,0,0,0,0|2,0,2]=4 37 B11R1.74 O=C(O)C1=CC(=NC(=C1)Br)Br Z1269137593 [0,0,0,0,0,0|3,0,1]=4 38 B11R1.74 O=C(O)C1=CC(=NC(=C1)Cl)Br Z1269205490 [0,0,0,0,0,0|3,0,1]=4 39 B11R1.74 O=C(O)C1=CC(=NC(=C1)Cl)Cl Z56899064 [0,0,0,0,0,0|3,0,1]=4 40 B11R1.74 O=C(O)C1=NC(=CC(=C1)Br)Cl Z1269179326 [0,0,0,0,0,0|3,0,1]=4 41 B11R1.74 O=C(O)C1=NC(=CC(=C1)Cl)Cl Z1198261855 [0,0,0,0,0,0|3,0,1]=4 42 B11R1.74 O=C(O)C1=NC(=NC(=C1)Cl)Cl Z56887777 [0,0,0,0,0,0|2,0,2]=4 43 B11R1.74 O=C1C=C(C=C(N1)Br)C(=O)O Z2216720826 [0,0,0,0,0,0|2,0,0]=2 44 B11R1.74 O=C1C=C(C=C(N1)C(=O)O)O Z2028214371 [0,0,0,0,0,0|1,0,1]=2 45 B11R1.74 O=C1C=C(C=C(N1)O)C(=O)O Z56855768 [0,0,0,0,0,0|1,0,1]=2 46 B11R1.74 O=C1C=C(C=C(O1)C(=O)O)O Z1262546364 [0,0,0,0,0,0|2,0,1]=3 47 B11R1.74 O=C1C=C(NC(=O)N1)C(=O)O Z2848108703 [0,0,0,0,0,0|0,0,0]=0 48 B11R1.74 O=C1CC(CC(=O)N1)C(=O)O Z337709370 [0,0,0,0,0,0|1,0,2]=3 49 B11R1.74 O=C1C[C@H](NC(=O)N1)C(=O)O Z1198153153 [0,0,0,0,0,0|0,0,2]=2 50 B11R1.74 O=C1N=C(NC(=O)N1)C(=O)[O-] Z3066893590 [0,0,0,0,0,0|1,0,1]=2 51 B10R1.8 CCC1=CC(=O)NC(=O)N1 Z1255402371 [1,0,0,0,0,0|1,0,1]=3 52 B10R1.8 NC1=NC(=CC(=O)N1)CO Z1201625770 [1,0,0,0,0,0|1,0,2]=4 53 B10R1.8 NCC1=CC(=O)NC(=O)N1 Z2375508286 [1,0,0,0,0,0|1,0,1]=3 54 B10R1.113 CC(=O)C1=CC(=O)NC=C1 Z1216849381 [1,0,0,0,0,0|2,0,0]=3 55 B10R1.113 CC1=CC(=CC=C1)C(=O)O Z57913535 [1,0,0,0,0,0|3,0,0]=4 56 B10R1.113 CC1=NC(=CC=C1)C(=O)O Z278017928 [1,0,0,0,0,0|2,0,1]=4 57 B10R1.113 CC1=NC(=CC=N1)C(=O)O Z489806966 [1,0,0,0,0,0|1,0,2]=4 58 B10R1.113 CC1=NC=CC(=C1)C(=O)O Z1205493663 [1,0,0,0,0,0|2,0,1]=4 59 B10R1.113 NC1=CC(=CC=C1)C(=O)O Z57127542 [1,0,0,0,0,0|3,0,0]=4 60 B10R1.113 NC1=CC(=NC=C1)C(=O)O Z381413014 [1,0,0,0,0,0|2,0,1]=4 61 B10R1.113 NC1=NC(=CC=C1)C(=O)O Z220336222 [1,0,0,0,0,0|2,0,1]=4 62 B10R1.113 O=C(O)C1=CC(=CC=C1)Br Z104475790 [1,0,0,0,0,0|3,0,0]=4 63 B10R1.113 O=C(O)C1=CC(=CC=C1)Cl Z104474062 [1,0,0,0,0,0|3,0,0]=4 64 B10R1.113 O=C(O)C1=CC(=CC=C1)F Z104477304 [1,0,0,0,0,0|3,0,0]=4 65 B10R1.113 O=C(O)C1=CC(=CC=C1)I Z56924537 [1,0,0,0,0,0|3,0,0]=4 66 B10R1.113 O=C(O)C1=CC(=CC=C1)O Z56919254 [1,0,0,0,0,0|2,0,1]=4 67 B10R1.113 O=C(O)C1=CC(=CC=C1)S Z1201630948 [1,0,0,0,0,0|2,1,0]=4 68 B10R1.113 O=C(O)C1=CC(=NC=C1)Br Z1259086653 [1,0,0,0,0,0|2,0,1]=4 69 B10R1.113 O=C(O)C1=CC(=NC=C1)Cl Z135302154 [1,0,0,0,0,0|2,0,1]=4 70 B10R1.113 O=C(O)C1=CC(=NC=C1)F Z234896331 [1,0,0,0,0,0|2,0,1]=4 71 B10R1.113 O=C(O)C1=CC(=NC=C1)S Z800150220 [1,0,0,0,0,0|1,1,1]=4 72 B10R1.113 O=C(O)C1=NC(=CC=C1)Br Z415628156 [1,0,0,0,0,0|2,0,1]=4 73 B10R1.113 O=C(O)C1=NC(=CC=C1)Cl Z56771183 [1,0,0,0,0,0|2,0,1]=4 74 B10R1.113 O=C(O)C1=NC(=CC=C1)F Z1203162000 [1,0,0,0,0,0|2,0,1]=4 75 B10R1.113 O=C(O)C1=NC(=NC=C1)Br Z1429420892 [1,0,0,0,0,0|1,0,2]=4 76 B10R1.113 O=C(O)C1=NC(=NC=C1)Cl Z1201623752 [1,0,0,0,0,0|1,0,2]=4 77 B10R1.113 O=C(O)C1=NC=CC(=C1)Br Z802558860 [1,0,0,0,0,0|2,0,1]=4 78 B10R1.113 O=C(O)C1=NC=CC(=C1)Cl Z57990012 [1,0,0,0,0,0|2,0,1]=4 79 B10R1.113 O=C(O)C1=NC=CC(=C1)O Z385458378 [1,0,0,0,0,0|1,0,2]=4 80 B10R1.113 O=C1C=C(C=CN1)C(=O)O Z1416200909 [1,0,0,0,0,0|1,0,0]=2 81 B10R1.113 O=C1C=C(C=NN1)C(=O)O Z1198177386 [1,0,0,0,0,0|2,0,0]=3 82 B10R1.113 O=C1C=C(N=CN1)C(=O)O Z2689031648 [1,0,0,0,0,0|0,0,1]=2 83 B10R1.113 O=C1C=CC=C(N1)C(=O)O Z359371306 [1,0,0,0,0,0|1,0,0]=2 84 B10R1.113 O=C1C=CC=C(O1)C(=O)O Z1198151696 [1,0,0,0,0,0|2,0,0]=3 85 B10R1.113 O=C1C=NC=C(N1)C(=O)O Z1821397992 [1,0,0,0,0,0|2,0,0]=3 86 B12R1.11 CC1=CC(=CC(=C1)C=O)C(=O)O Z1262528438 [0,1,0,0,0,0|3,0,0]=4 87 B12R1.11 CCC1=CC(=CC(=O)N1)C(=O)O Z1198320047 [0,1,0,0,0,0|2,0,0]=3 88 B12R1.11 COC1=NC(=CC(=O)N1)C(=O)O Z1708089997 [0,1,0,0,0,0|0,0,2]=3 89 B12R1.11 O=CC1=CC(=CC(=C1)C(=O)O)Br Z1551960208 [0,1,0,0,0,0|3,0,0]=4 90 B12R1.11 O=CC1=CC(=CC(=C1)C(=O)O)Cl Z1262556297 [0,1,0,0,0,0|3,0,0]=4 91 B12R1.11 O=CC1=CC(=CC(=C1)C(=O)O)O Z1255441210 [0,1,0,0,0,0|2,0,1]=4 92 B12R1.102 CC(C)(C)C1=CC(=O)NC(=O)N1 Z1889710313 [0,1,0,0,0,0|2,0,1]=4 93 B12R1.358 COC(=O)C1=CC(=O)NC(=N1)C Z2830621414 [0,1,0,0,0,0|1,0,1]=3 94 B12R1.358 COC(=O)C1=CC(=O)NC(=N1)S Z99599654 [0,1,0,0,0,0|0,1,1]=3 95 B12R1.511 NC1=C(NC(=O)NC1=O)C(=O)O Z104474086 [0,1,0,0,0,0|0,0,0]=1 96 B12R2.2294 O=C1C=C(NC(=O)N1)C2CC2 Z1262692478 [0,0,0,1,0,0|2,0,1]=4 97 B10R1.58 CC1=C(C=C(S1)C(=O)O)Br Z1263738666 [0,0,0,0,1,0|3,0,0]=4 98 B10R1.58 CC1=C(NC(=C1)C(=O)O)C Z1198334173 [0,0,0,0,1,0|2,0,0]=3 99 B10R1.58 CC1=C(OC(=C1)C(=O)O)Br Z2732856968 [0,0,0,0,1,0|3,0,0]=4 100 B10R1.58 CC1=C(OC(=C1)C(=O)O)C Z1201618976 [0,0,0,0,1,0|3,0,0]=4 101 B10R1.58 CC1=C(SC(=C1)C(=O)O)Br Z1269169628 [0,0,0,0,1,0|3,0,0]=4 102 B10R1.58 CC1=C(SC(=C1)C(=O)O)C Z104492212 [0,0,0,0,1,0|3,0,0]=4 103 B10R1.58 CC1=C(SC(=C1)C(=O)O)Cl Z1198158702 [0,0,0,0,1,0|3,0,0]=4 104 B10R1.58 CN1C=C(NC1=O)C(=O)O Z1205495049 [0,0,0,0,1,0|2,0,0]=3 105 B10R1.58 CN1NC(=CC1=O)C(=O)O Z2236735605 [0,0,0,0,1,0|2,0,0]=3 106 B10R1.58 CN1OC(=CC1=O)C(=O)O Z1824003143 [0,0,0,0,1,0|3,0,0]=4 107 B10R1.58 O=C(O)C1=CC(=C(N1)Br)Br Z227972132 [0,0,0,0,1,0|2,0,0]=3 108 B10R1.58 O=C(O)C1=CC(=C(N1)Cl)Br Z419918952 [0,0,0,0,1,0|2,0,0]=3 109 B10R1.58 O=C(O)C1=CC(=C(N1)Cl)Cl Z220588546 [0,0,0,0,1,0|2,0,0]=3 110 B10R1.58 O=C(O)C1=CC(=C(S1)Br)Cl Z419107952 [0,0,0,0,1,0|3,0,0]=4 111 B10R1.58 O=C(O)C1=CC(=C(S1)Cl)Br Z1681338319 [0,0,0,0,1,0|3,0,0]=4 112 B10R1.58 O=C(O)C1=CC(=C(S1)Cl)Cl Z1198171936 [0,0,0,0,1,0|3,0,0]=4 113 B10R1.58 O=C(O)C1=CC(=C(S1)I)Br Z3326509547 [0,0,0,0,1,0|3,0,0]=4 114 B10R1.59 CC1=C(C=C(S1)Br)C(=O)O Z1267558920 [0,0,0,0,1,0|3,0,0]=4 115 B10R1.59 CC1=CC(=C(N1)C)C(=O)O Z239549280 [0,0,0,0,1,0|2,0,0]=3 116 B10R1.59 CC1=CC(=C(O1)C)C(=O)O Z56867309 [0,0,0,0,1,0|3,0,0]=4 117 B10R1.59 CC1=CC(=C(S1)Br)C(=O)O Z1269194127 [0,0,0,0,1,0|3,0,0]=4 118 B10R1.59 CC1=CC(=C(S1)C)C(=O)O Z90121763 [0,0,0,0,1,0|3,0,0]=4 119 B10R1.59 CC1=NC(=C(N1)C)C(=O)O Z2230911407 [0,0,0,0,1,0|2,0,1]=4 120 B10R1.59 O=C(O)C1=C(SC(=C1)Br)Br Z389944676 [0,0,0,0,1,0|3,0,0]=4 121 B10R1.59 O=C(O)C1=C(SC(=C1)Cl)Cl Z89283593 [0,0,0,0,1,0|3,0,0]=4 122 B12R1.101 O=C(O)CC1=CC(=O)NC(=O)N1 Z57046946 [0,0,0,0,0,1|0,0,0]=1 123 B12R1.101 O=C(O)CC1CC(=O)NC(=O)C1 Z1201623211 [0,0,0,0,0,1|1,0,2]=4 124 B9R1.2 O=C1C=C(C=CN1)CO Z1203733303 [2,0,0,0,0,0|1,0,1]=4 125 B9R1.34 CC1=CC(=O)NC(=O)N1 Z56871945 [2,0,0,0,0,0|0,0,1]=3 126 B9R1.34 NC1=NC(=O)NC(=O)N1 Z1203578012 [2,0,0,0,0,0|2,0,0]=4 127 B9R1.34 O=C1CC(=O)NC(=O)N1 Z104473234 [2,0,0,0,0,0|0,0,1]=3 128 B9R1.34 O=C1CC(=O)NC(=S)N1 Z104473236 [2,0,0,0,0,0|0,1,1]=4 129 B9R1.6 O=C(O)C1=CC=CC=C1 Z57127480 [2,0,0,0,0,0|2,0,0]=4 130 B9R1.6 O=C(O)C1=CC=NC=C1 Z104473016 [2,0,0,0,0,0|1,0,1]=4 131 B9R1.6 O=C(O)C1=NC=CC=C1 Z57968195 [2,0,0,0,0,0|1,0,1]=4 132 B9R1.6 O=C(O)C1=NC=NC=C1 Z57064900 [2,0,0,0,0,0|0,0,2]=4 133 B11R0.32 O=C(O)/C=C(/CC(=O)O)\C(=O)O Z57204893 [0,1,1,0,0,0|2,0,0]=4 134 B11R1.14 COC1=CC(=O)N(C(=O)N1)C Z1509144316 [1,1,0,0,0,0|2,0,0]=4 135 B11R1.21 CC1=CNC(=CC1=O)C(=O)O Z1381260939 [1,1,0,0,0,0|1,0,0]=3 136 B11R1.21 CN1C=CC(=CC1=O)C(=O)N Z317545418 [1,1,0,0,0,0|2,0,0]=4 137 B11R1.21 CN1C=CC(=CC1=O)C(=O)O Z299018636 [1,1,0,0,0,0|1,0,0]=3 138 B11R1.21 CN1C=NC(=CC1=O)C(=O)O Z2509702267 [1,1,0,0,0,0|0,0,1]=3 139 B11R1.21 O=C(O)C1=CC(=O)N(C=C1)O Z3244880399 [1,1,0,0,0,0|1,0,0]=3 140 B11R1.21 O=C(O)C1=CC=C(C(=O)O1)O Z1262515745 [1,1,0,0,0,0|2,0,0]=4 141 B11R1.23 COC(=O)C1=CC=CC(=O)N1 Z1255426352 [1,1,0,0,0,0|1,0,0]=3 142 B11R1.159 CN1C(=O)C=CC=C1C(=O)O Z1216817914 [1,1,0,0,0,0|1,0,0]=3 143 B11R1.159 O=C(O)C1=C(C(=O)NC=C1)Br Z1889917266 [1,1,0,0,0,0|1,0,0]=3 144 B11R1.159 O=C(O)C1=CC=CC(=O)N1O Z1262512342 [1,1,0,0,0,0|1,0,0]=3 145 B11R1.159 O=C(O)C1=CC=CC(=S)N1O Z1262529134 [1,1,0,0,0,0|1,1,0]=4 146 B11R1.167 O=C1C=C(C(=CN1)Br)C(=O)O Z2894089817 [1,1,0,0,0,0|1,0,0]=3 147 B11R1.266 O=CC1=CC(=NC=C1)C(=O)O Z4202384577 [1,1,0,0,0,0|1,0,1]=4 148 B11R1.266 O=CC1=CC=CC(=C1)C(=O)O Z1065768480 [1,1,0,0,0,0|2,0,0]=4 149 B11R1.266 O=CC1=CC=CC(=N1)C(=O)O Z1198307200 [1,1,0,0,0,0|1,0,1]=4 150 B11R1.48 CC1=C(NC(=C1)C(=O)O)C#N Z2732459248 [0,1,0,0,1,0|2,0,0]=4 151 B11R1.48 CC1=C(SC(=C1)C(=O)O)C=O Z1201628424 [0,1,0,0,1,0|2,0,0]=4 152 B11R1.48 O=CC1=C(OC(=C1)C(=O)O)Cl Z1262531979 [0,1,0,0,1,0|2,0,0]=4 153 B11R1.672 CC1=C(C(=C(N1)C(=O)O)C)C Z1172170432 [0,1,0,0,1,0|2,0,0]=4 154 B11R1.672 CN1C(=CC(=C1Cl)Cl)C(=O)O Z351482802 [0,1,0,0,1,0|2,0,0]=4 155 B11R1.672 CN1C=C(N(C1=O)C)C(=O)O Z1262512736 [0,1,0,0,1,0|2,0,0]=4 156 B11R1.49 O=CC1=C(C=C(O1)Br)C(=O)O Z1508966146 [0,1,0,0,1,0|2,0,0]=4 157 B11R1.49 O=CC1=C(C=C(S1)Br)C(=O)O Z2724136199 [0,1,0,0,1,0|2,0,0]=4 158 B11R1.49 O=CC1=C(C=C(S1)Cl)C(=O)O Z3024738778 [0,1,0,0,1,0|2,0,0]=4 159 B11R1.50 CC1=C(C=C(N1)C#N)C(=O)O Z2235681457 [0,1,0,0,1,0|2,0,0]=4 160 B11R1.50 CC1=C(C=C(N1)C=O)C(=O)O Z1216832904 [0,1,0,0,1,0|1,0,0]=3 161 B11R1.50 CC1=C(C=C(O1)C=O)C(=O)O Z1262512728 [0,1,0,0,1,0|2,0,0]=4 162 B11R1.50 CC1=C(NC(=C1)C=O)C(=O)O Z1255462742 [0,1,0,0,1,0|2,0,0]=4 163 B11R1.50 O=CC1=CC(=C(S1)Cl)C(=O)O Z2750451816 [0,1,0,0,1,0|2,0,0]=4 164 B11R1.225 COC(=O)C1=C(NC(=O)N1)C Z1331283238 [0,1,0,0,1,0|1,0,0]=3 165 B13R1.2874 COC(=O)CC1=CC(=O)NC(=N1)S Z104341280 [0,1,0,0,0,1|0,1,1]=4 166 B13R1.126 CC(C)C1=CC(=CC(=O)N1)C(=O)O Z1587257461 [0,2,0,0,0,0|2,0,0]=4 167 B13R1.126 CN(C)C1=NC(=CC(=O)N1)C(=O)O Z1744712433 [0,2,0,0,0,0|1,0,1]=4 168 B13R1.126 O=C1C=C(OC(=C1)C(=O)O)C(=O)O Z1238543360 [0,2,0,0,0,0|2,0,0]=4 169 B13R1.2678 COC(=O)C1=CC(=O)N(C(=O)N1)C Z1509163154 [0,2,0,0,0,0|0,0,0]=2 170 B11R1.178 O=C(O)C1=C(NC=N1)C(=O)O Z57290953 [0,0,1,1,0,0|2,0,0]=4 171 B13R2.5397 CC1=CC2=C(S1)NC(=O)NC2=O Z1255440908 [0,0,0,1,0,1|2,0,0]=4 172 B13R2.5397 O=C1NC(=O)C2=C(N1)C=C(S2)Cl Z4410565990 [0,0,0,1,0,1|1,1,0]=4 173 B13R2.5397 O=C1NC(=O)C2=C(N1)NC(=O)N2 Z104473370 [0,0,0,1,0,1|1,0,0]=3 174 B9R0.53 NC(=O)NC(=O)NC(=O)N Z1203578071 [0,0,1,0,1,0|2,0,0]=4 175 B9R1.22 CC1=CC(=C(N1)C)C=O Z85921954 [1,0,0,0,1,0|2,0,0]=4 176 B9R1.22 O=C1NC(=O)C(N1)CO Z425453006 [1,0,0,0,1,0|0,0,2]=4 177 B9R1.22 O=C1NC(=O)[C@@H](N1)CO Z1203747347 [1,0,0,0,1,0|0,0,2]=4 178 B9R1.22 O=CC1=C(NC(=O)S1)Cl Z276350072 [1,0,0,0,1,0|2,0,0]=4 179 B9R1.23 O=CC1=CC(=C(N1)Br)Br Z1269193972 [1,0,0,0,1,0|2,0,0]=4 180 B9R1.35 CC1=CC(=CN1)C(=O)O Z1198267230 [1,0,0,0,1,0|1,0,0]=3 181 B9R1.35 CC1=CC(=CO1)C(=O)O Z1205493994 [1,0,0,0,1,0|2,0,0]=4 182 B9R1.35 CC1=CC(=CS1)C(=O)O Z979749380 [1,0,0,0,1,0|2,0,0]=4 183 B9R1.35 CC1=CC(=NN1)C(=O)O Z752370868 [1,0,0,0,1,0|1,0,1]=4 184 B9R1.35 CC1=CC=C(O1)C(=O)O Z56895714 [1,0,0,0,1,0|2,0,0]=4 185 B9R1.35 CC1=CC=C(S1)C(=O)O Z104494884 [1,0,0,0,1,0|2,0,0]=4 186 B9R1.35 CC1=CNC(=C1)C(=O)O Z1201622537 [1,0,0,0,1,0|1,0,0]=3 187 B9R1.35 CC1=CNC(=N1)C(=O)O Z2265206911 [1,0,0,0,1,0|2,0,0]=4 188 B9R1.35 CC1=COC(=C1)C(=O)O Z1205494707 [1,0,0,0,1,0|2,0,0]=4 189 B9R1.35 CC1=CSC(=C1)C(=O)O Z1203160201 [1,0,0,0,1,0|2,0,0]=4 190 B9R1.35 CC1=NC(=CN1)C(=O)O Z969202142 [1,0,0,0,1,0|1,0,1]=4 191 B9R1.35 NC(=O)C1=CC(=CN1)N Z1198394173 [1,0,0,0,1,0|2,0,0]=4 192 B9R1.35 NC1=NNC(=C1)C(=O)O Z275170588 [1,0,0,0,1,0|1,0,1]=4 193 B9R1.35 O=C(O)C1=CC(=CN1)Cl Z104341138 [1,0,0,0,1,0|1,0,0]=3 194 B9R1.35 O=C(O)C1=CC(=CN1)I Z1183442837 [1,0,0,0,1,0|1,0,0]=3 195 B9R1.35 O=C(O)C1=CC(=CO1)Br Z1198150497 [1,0,0,0,1,0|2,0,0]=4 196 B9R1.35 O=C(O)C1=CC(=CS1)Br Z275128148 [1,0,0,0,1,0|2,0,0]=4 197 B9R1.35 O=C(O)C1=CC(=CS1)F Z1198275133 [1,0,0,0,1,0|2,0,0]=4 198 B9R1.35 O=C(O)C1=CC(=CS1)O Z1157742699 [1,0,0,0,1,0|1,0,1]=4 199 B9R1.35 O=C(O)C1=CC=C(N1)Cl Z1205496495 [1,0,0,0,1,0|1,0,0]=3 200 B9R1.35 O=C(O)C1=CC=C(O1)Br Z57233752 [1,0,0,0,1,0|2,0,0]=4 201 B9R1.35 O=C(O)C1=CC=C(O1)Cl Z119989852 [1,0,0,0,1,0|2,0,0]=4 202 B9R1.35 O=C(O)C1=CC=C(O1)F Z1509050307 [1,0,0,0,1,0|2,0,0]=4 203 B9R1.35 O=C(O)C1=CC=C(S1)Br Z56946865 [1,0,0,0,1,0|2,0,0]=4 204 B9R1.35 O=C(O)C1=CC=C(S1)Cl Z56346822 [1,0,0,0,1,0|2,0,0]=4 205 B9R1.35 O=C(O)C1=CC=C(S1)F Z1198175121 [1,0,0,0,1,0|2,0,0]=4 206 B9R1.35 O=C(O)C1=CC=C(S1)I Z1269191681 [1,0,0,0,1,0|2,0,0]=4 207 B9R1.35 O=C(O)C1=CNC(=C1)Br Z1171220840 [1,0,0,0,1,0|1,0,0]=3 208 B9R1.35 O=C(O)C1=CNC(=N1)S Z274566848 [1,0,0,0,1,0|0,1,1]=4 209 B9R1.35 O=C(O)C1=COC(=C1)Br Z255102436 [1,0,0,0,1,0|2,0,0]=4 210 B9R1.35 O=C(O)C1=COC(=C1)Cl Z1255365854 [1,0,0,0,1,0|2,0,0]=4 211 B9R1.35 O=C(O)C1=CSC(=C1)Br Z234969399 [1,0,0,0,1,0|2,0,0]=4 212 B9R1.35 O=C(O)C1=CSC(=C1)Cl Z1198150257 [1,0,0,0,1,0|2,0,0]=4 213 B9R1.35 O=C(O)C1=CSC(=C1)I Z952016278 [1,0,0,0,1,0|2,0,0]=4 214 B9R1.35 O=C(O)C1=NNC(=C1)Br Z1416184726 [1,0,0,0,1,0|1,0,1]=4 215 B9R1.35 O=C1CC(=NN1)C(=O)O Z815290366 [1,0,0,0,1,0|0,0,2]=4 216 B9R1.35 O=C1NC(=CS1)C(=O)O Z1205494720 [1,0,0,0,1,0|1,0,0]=3 217 B9R1.35 O=C1NC=C(N1)C(=O)O Z56921827 [1,0,0,0,1,0|0,0,0]=2 218 B9R1.35 O=C1NCC(N1)C(=O)O Z1162470818 [1,0,0,0,1,0|0,0,2]=4 219 B9R1.41 CC1=C(C=CN1)C(=O)O Z1203731440 [1,0,0,0,1,0|1,0,0]=3 220 B9R1.41 CC1=C(C=CO1)C(=O)O Z104479606 [1,0,0,0,1,0|2,0,0]=4 221 B9R1.41 CC1=C(C=CS1)C(=O)O Z1198158842 [1,0,0,0,1,0|2,0,0]=4 222 B9R1.41 CC1=C(C=NN1)C(=O)O Z240985542 [1,0,0,0,1,0|2,0,0]=4 223 B9R1.41 CC1=C(NC=C1)C(=O)O Z1198173378 [1,0,0,0,1,0|2,0,0]=4 224 B9R1.41 CC1=C(NC=N1)C(=O)O Z2467454493 [1,0,0,0,1,0|1,0,1]=4 225 B9R1.41 NC1=C(C=NN1)C(=O)O Z221429196 [1,0,0,0,1,0|2,0,0]=4 226 B9R1.41 O=C(O)C1=C(OC=C1)Br Z1201625129 [1,0,0,0,1,0|2,0,0]=4 227 B9R1.41 O=C(O)C1=C(OC=C1)Cl Z1205495898 [1,0,0,0,1,0|2,0,0]=4 228 B9R1.41 O=C(O)C1=C(SC=C1)Br Z1269180691 [1,0,0,0,1,0|2,0,0]=4 229 B9R1.41 O=C(O)C1=C(SC=C1)Cl Z1198150549 [1,0,0,0,1,0|2,0,0]=4 230 B9R1.41 O=C(O)C1=C(SC=C1)I Z1269188192 [1,0,0,0,1,0|2,0,0]=4 231 B11R0.85 CC(=O)NCC(=O)NCC(=O)O Z85906528 [0,0,1,0,0,1|0,0,2]=4 232 B11R1.166 CC1=C(C=CC(=O)N1)C(=O)O Z1483956890 [0,0,0,0,1,1|1,0,0]=3 233 B11R1.166 CC1=CC(=O)C(=NN1)C(=O)O Z1262531104 [0,0,0,0,1,1|2,0,0]=4 234 B11R1.166 CC1=CC(=O)NC=C1C(=O)O Z1216824441 [0,0,0,0,1,1|2,0,0]=4 235 B11R1.166 CC1=CC=C(C(=O)N1)C(=O)N Z741559924 [0,0,0,0,1,1|2,0,0]=4 236 B11R1.166 CC1=CC=C(C(=O)N1)C(=O)O Z381338798 [0,0,0,0,1,1|1,0,0]=3 237 B11R1.166 CC1=NC=C(C(=O)N1)C(=O)O Z905279506 [0,0,0,0,1,1|1,0,0]=3 238 B11R1.166 O=C1NC=C(C(=O)N1)C(=O)O Z104477702 [0,0,0,0,1,1|0,0,0]=2 239 B11R1.166 O=C1NC=C(C(=O)N1)[N+](=O)[O-] Z274568144 [0,0,0,0,1,1|1,0,1]=4