0 B11R1.35 CC(CC1=CC=CS1)C(=O)O Z756390536 [0,0,0,0,0,0|3,0,0]=3 1 B11R1.35 CC(CN1C=CC=N1)C(=O)O Z421787104 [0,0,0,0,0,0|3,0,1]=4 2 B11R1.35 CC(CN1C=CN=C1)C(=O)O Z1431781034 [0,0,0,0,0,0|3,0,0]=3 3 B11R1.35 CC(SC1=NC=NN1)C(=O)O Z607822414 [0,0,0,0,0,0|3,0,1]=4 4 B11R1.35 CC(SC1=NN=CS1)C(=O)O Z56279656 [0,0,0,0,0,0|4,0,0]=4 5 B11R1.35 NC(CC1=CC=CN1)C(=O)O Z1065645554 [0,0,0,0,0,0|1,0,0]=1 6 B11R1.35 NC(CC1=CC=CO1)C(=O)O Z317025794 [0,0,0,0,0,0|2,0,0]=2 7 B11R1.35 NC(CC1=CC=NO1)C(=O)O Z2429425584 [0,0,0,0,0,0|2,0,0]=2 8 B11R1.35 NC(CC1=CN=CS1)C(=O)O Z2753010848 [0,0,0,0,0,0|1,0,0]=1 9 B11R1.35 NC(CC1=CNC=N1)C(=O)O Z1259162152 [0,0,0,0,0,0|0,0,2]=2 10 B11R1.35 NC(CC1=COC=C1)C(=O)O Z3839442137 [0,0,0,0,0,0|2,0,0]=2 11 B11R1.35 NC(CC1=COC=N1)C(=O)O Z3377962909 [0,0,0,0,0,0|1,0,1]=2 12 B11R1.35 NC(CC1=CSC=C1)C(=O)O Z3251695259 [0,0,0,0,0,0|2,0,0]=2 13 B11R1.35 NC(CC1=CSC=N1)C(=O)O Z3355847058 [0,0,0,0,0,0|1,0,1]=2 14 B11R1.35 NC(CC1=NC=NS1)C(=O)O Z3753017084 [0,0,0,0,0,0|1,0,1]=2 15 B11R1.35 NC(CC1=NNC=C1)C(=O)O Z2503042485 [0,0,0,0,0,0|2,0,1]=3 16 B11R1.35 NC(CC1=NNC=N1)C(=O)O Z3479679094 [0,0,0,0,0,0|1,0,2]=3 17 B11R1.35 NC(CC1=NSN=C1)C(=O)O Z3379430810 [0,0,0,0,0,0|1,0,1]=2 18 B11R1.35 NC(CN1C=CC=N1)C(=O)O Z2933867195 [0,0,0,0,0,0|2,0,1]=3 19 B11R1.35 NC(CN1C=CN=C1)C(=O)O Z2310727968 [0,0,0,0,0,0|2,0,0]=2 20 B11R1.35 NC(CN1C=CN=N1)C(=O)O Z4271765232 [0,0,0,0,0,0|3,0,0]=3 21 B11R1.35 NC(CN1C=NC=N1)C(=O)O Z1702888516 [0,0,0,0,0,0|1,0,1]=2 22 B11R1.35 N[C@@H](CC1=CNC=N1)C(=O)O Z359369984 [0,0,0,0,0,0|0,0,2]=2 23 B11R1.35 N[C@H](CC1=CNC=N1)C(=O)O Z1079168982 [0,0,0,0,0,0|0,0,2]=2 24 B11R1.35 O=C(O)/C(=C\C1=CN=CN1)/F Z3211706104 [0,0,0,0,0,0|1,0,2]=3 25 B11R1.35 O=C(O)C(=O)CC1=CC=CS1 Z271004562 [0,0,0,0,0,0|3,0,1]=4 26 B11R1.35 O=C(O)C(O)CN1C=NC=N1 Z2865625689 [0,0,0,0,0,0|2,0,1]=3 27 B11R1.35 O=C(O)[C@@H](O)CC1=CNC=N1 Z3410265465 [0,0,0,0,0,0|1,0,2]=3 28 B10R1.27 NC(CO)CC1=CN=CS1 Z2731749295 [1,0,0,0,0,0|1,0,1]=3 29 B10R1.27 N[C@H](CO)CC1=CNC=N1 Z2697164739 [1,0,0,0,0,0|0,0,3]=4 30 B10R1.66 CC(=O)CCC1=CSC=C1 Z444869186 [1,0,0,0,0,0|3,0,0]=4 31 B10R1.66 CC(=O)CCN1C=NC=N1 Z362119624 [1,0,0,0,0,0|2,0,1]=4 32 B10R1.66 CC(=O)NCC1=NN=CN1 Z667699864 [1,0,0,0,0,0|3,0,0]=4 33 B10R1.66 O=C(O)/C=C/C1=CC=CN1 Z1198166880 [1,0,0,0,0,0|1,0,2]=4 34 B10R1.66 O=C(O)/C=C/C1=CN=CS1 Z1198166918 [1,0,0,0,0,0|1,0,2]=4 35 B10R1.66 O=C(O)CCC1=CC=CS1 Z57052863 [1,0,0,0,0,0|2,0,0]=3 36 B10R1.66 O=C(O)CCC1=CC=NN1 Z3063833168 [1,0,0,0,0,0|2,0,0]=3 37 B10R1.66 O=C(O)CCC1=CN=CO1 Z1255388483 [1,0,0,0,0,0|1,0,0]=2 38 B10R1.66 O=C(O)CCC1=CNC=N1 Z1770193418 [1,0,0,0,0,0|0,0,2]=3 39 B10R1.66 O=C(O)CCC1=CNN=C1 Z2251841401 [1,0,0,0,0,0|2,0,0]=3 40 B10R1.66 O=C(O)CCC1=CNN=N1 Z2235677946 [1,0,0,0,0,0|1,0,2]=4 41 B10R1.66 O=C(O)CCC1=COC=C1 Z1098234501 [1,0,0,0,0,0|2,0,0]=3 42 B10R1.66 O=C(O)CCC1=CON=C1 Z1205656268 [1,0,0,0,0,0|2,0,0]=3 43 B10R1.66 O=C(O)CCC1=CSC=C1 Z85923469 [1,0,0,0,0,0|2,0,0]=3 44 B10R1.66 O=C(O)CCC1=CSC=N1 Z381407422 [1,0,0,0,0,0|1,0,1]=3 45 B10R1.66 O=C(O)CCC1=NC=CN1 Z1913661002 [1,0,0,0,0,0|2,0,0]=3 46 B10R1.66 O=C(O)CCC1=NC=CS1 Z381407426 [1,0,0,0,0,0|2,0,1]=4 47 B10R1.66 O=C(O)CCC1=NN=CN1 Z1350606441 [1,0,0,0,0,0|1,0,0]=2 48 B10R1.66 O=C(O)CCC1=NN=CS1 Z4302498044 [1,0,0,0,0,0|2,0,0]=3 49 B10R1.66 O=C(O)CCC1=NNN=N1 Z1205656971 [1,0,0,0,0,0|2,0,1]=4 50 B10R1.66 O=C(O)CCC1=NOC=C1 Z1198279853 [1,0,0,0,0,0|2,0,1]=4 51 B10R1.66 O=C(O)CCN1C=CC=C1 Z245326706 [1,0,0,0,0,0|3,0,0]=4 52 B10R1.66 O=C(O)CCN1C=CC=N1 Z220346786 [1,0,0,0,0,0|2,0,1]=4 53 B10R1.66 O=C(O)CCN1C=CN=C1 Z53111117 [1,0,0,0,0,0|2,0,0]=3 54 B10R1.66 O=C(O)CCN1C=NC=N1 Z220616946 [1,0,0,0,0,0|1,0,1]=3 55 B10R1.66 O=C(O)CCN1C=NN=N1 Z1198163093 [1,0,0,0,0,0|2,0,1]=4 56 B10R1.66 O=C(O)COC1=CNN=C1 Z5592134655 [1,0,0,0,0,0|3,0,0]=4 57 B10R1.66 O=C(O)COC1=CSC=C1 Z1262541445 [1,0,0,0,0,0|3,0,0]=4 58 B10R1.66 O=C(O)CSC1=CNN=C1 Z5060816295 [1,0,0,0,0,0|3,0,0]=4 59 B10R1.66 O=C(O)CSC1=NN=CN1 Z55118850 [1,0,0,0,0,0|2,0,0]=3 60 B10R1.66 O=C(O)CSC1=NN=CS1 Z55903773 [1,0,0,0,0,0|3,0,0]=4 61 B12R1.104 CC(CC1=CN(N=C1)C)C(=O)O Z959330822 [0,1,0,0,0,0|3,0,0]=4 62 B12R1.104 CC1=CN(N=C1)CC(N)C(=O)O Z1737940744 [0,1,0,0,0,0|2,0,1]=4 63 B12R1.104 CN1C=C(C=N1)CC(N)C(=O)O Z1259335776 [0,1,0,0,0,0|2,0,0]=3 64 B12R1.104 CN1C=C(N=N1)CC(N)C(=O)O Z3877612552 [0,1,0,0,0,0|1,0,2]=4 65 B12R1.104 CN1C=NC(=C1)CC(O)C(=O)O Z3270199333 [0,1,0,0,0,0|1,0,2]=4 66 B12R1.104 CN1C=NC(=C1)C[C@H](N)C(=O)O Z3005524545 [0,1,0,0,0,0|0,0,2]=3 67 B12R1.104 CN1N=NC(=N1)CC(N)C(=O)O Z3832019209 [0,1,0,0,0,0|2,0,1]=4 68 B12R1.104 NC(CC1=CSC(=C1)Cl)C(=O)O Z3464487109 [0,1,0,0,0,0|2,0,0]=3 69 B12R1.104 NC(CN1C=C(C=N1)Br)C(=O)O Z1762658278 [0,1,0,0,0,0|2,0,1]=4 70 B12R1.104 NC(CN1C=C(C=N1)Cl)C(=O)O Z1649677786 [0,1,0,0,0,0|2,0,1]=4 71 B12R1.104 NC1=NC(=CS1)CC(N)C(=O)O Z3482741151 [0,1,0,0,0,0|1,0,1]=3 72 B12R1.104 N[C@@H](CC1=CNC(=N1)S)C(=O)O Z1198148773 [0,1,0,0,0,0|0,0,2]=3 73 B12R1.104 N[C@H](CC1=CNC(=N1)S)C(=O)O Z1198234492 [0,1,0,0,0,0|0,0,2]=3 74 B12R1.108 COC(=O)C(N)CC1=CNN=C1 Z3376022026 [0,1,0,0,0,0|2,0,0]=3 75 B12R1.108 COC(=O)C(N)CC1=COC=C1 Z3991663285 [0,1,0,0,0,0|2,0,0]=3 76 B12R1.108 COC(=O)C(N)CC1=CSC=C1 Z3397220489 [0,1,0,0,0,0|2,0,0]=3 77 B12R1.108 COC(=O)C(N)CN1C=CC=N1 Z2904982884 [0,1,0,0,0,0|2,0,1]=4 78 B12R1.108 COC(=O)C(N)CN1C=CN=C1 Z1742055080 [0,1,0,0,0,0|2,0,0]=3 79 B12R1.108 COC(=O)C(N)CN1C=NC=N1 Z2935011061 [0,1,0,0,0,0|1,0,1]=3 80 B12R1.145 CC(SC1=NN=CN1C)C(=O)O Z56278767 [0,1,0,0,0,0|3,0,0]=4 81 B12R1.145 CC1=C(NC=N1)CC(O)C(=O)O Z4137163794 [0,1,0,0,0,0|1,0,0]=2 82 B12R1.145 CC1=NC=CN1CC(C)C(=O)O Z57912371 [0,1,0,0,0,0|3,0,0]=4 83 B12R1.145 CC1=NON=C1CC(N)C(=O)O Z823287428 [0,1,0,0,0,0|1,0,1]=3 84 B12R1.145 CN1C=NN=C1CC(N)C(=O)N Z3927297840 [0,1,0,0,0,0|2,0,0]=3 85 B12R1.145 CN1N=CC=C1CC(N)C(=O)O Z3681679050 [0,1,0,0,0,0|2,0,0]=3 86 B12R1.145 CN1N=CN=C1CC(N)C(=O)O Z3824528863 [0,1,0,0,0,0|1,0,1]=3 87 B12R1.145 NC(CC1=C(SC=C1)Cl)C(=O)O Z3337480266 [0,1,0,0,0,0|2,0,0]=3 88 B12R1.1373 CC(C)(CC1=CN=NN1)C(=O)O Z3070476207 [0,1,0,0,0,0|2,0,0]=3 89 B12R1.1373 CC(N)(CN1C=CC=N1)C(=O)O Z2937689910 [0,1,0,0,0,0|2,0,1]=4 90 B12R1.1373 CC(N)(CN1C=NC=N1)C(=O)O Z1683068100 [0,1,0,0,0,0|1,0,1]=3 91 B12R2.252 O=C(O)C1=CC2=C(N1)N=CS2 Z1198322180 [0,0,0,1,0,0|1,0,2]=4 92 B12R2.252 O=C(O)C1CC2=CSC=C2C1 Z1262517243 [0,0,0,1,0,0|3,0,0]=4 93 B12R2.252 O=C(O)C1CC2=NC=CN2C1 Z2692249218 [0,0,0,1,0,0|3,0,0]=4 94 B12R2.252 O=C(O)C1CC2=NN=CN2C1 Z3500234709 [0,0,0,1,0,0|2,0,0]=3 95 B12R2.1354 O=C(O)C1CC1C2=CC=CO2 Z359510162 [0,0,0,1,0,0|3,0,0]=4 96 B12R2.1354 O=C(O)C1CC1C2=NN=CN2 Z1623864214 [0,0,0,1,0,0|2,0,0]=3 97 B12R2.1354 O=C(O)[C@@H]1C[C@H]1C2=CC=CO2 Z2242045434 [0,0,0,1,0,0|3,0,0]=4 98 B12R2.1354 O=C(O)[C@@H]1C[C@H]1C2=CNC=N2 Z2573343613 [0,0,0,1,0,0|1,0,2]=4 99 B12R2.1354 O=C(O)[C@@H]1C[C@H]1C2=CSC=C2 Z2683332742 [0,0,0,1,0,0|3,0,0]=4 100 B10R1.23 CC(C(=O)O)C1=CC=CO1 Z792377294 [0,0,0,0,1,0|3,0,0]=4 101 B10R1.23 CC(C(=O)O)C1=CC=NN1 Z4751117307 [0,0,0,0,1,0|3,0,0]=4 102 B10R1.23 CC(C(=O)O)C1=CSC=C1 Z954552432 [0,0,0,0,1,0|3,0,0]=4 103 B10R1.23 CC(C(=O)O)N1C=CN=C1 Z415636668 [0,0,0,0,1,0|3,0,0]=4 104 B10R1.23 NC(C(=O)O)C1=CC=CS1 Z803154920 [0,0,0,0,1,0|2,0,0]=3 105 B10R1.23 NC(C(=O)O)C1=CSC=C1 Z1696871277 [0,0,0,0,1,0|2,0,0]=3 106 B10R1.23 NC(C(=O)O)C1=CSC=N1 Z3699161008 [0,0,0,0,1,0|1,0,1]=3 107 B10R1.23 NC(C(=O)O)C1=NN=NN1 Z1198152530 [0,0,0,0,1,0|2,0,0]=3 108 B10R1.23 O=C(O)C(O)C1=CNC=N1 Z2301534488 [0,0,0,0,1,0|1,0,2]=4 109 B10R1.23 O=C(O)C(O)C1=CSC=C1 Z788000616 [0,0,0,0,1,0|3,0,0]=4 110 B12R1.43 CC(=O)C(N)CC1=CC=CC=C1 Z90124995 [0,0,0,0,0,1|3,0,0]=4 111 B12R1.43 CC(CC1=CC=CC=C1)C(=O)O Z513624710 [0,0,0,0,0,1|3,0,0]=4 112 B12R1.43 CC(CC1=CC=NC=C1)C(=O)O Z3477804988 [0,0,0,0,0,1|2,0,0]=3 113 B12R1.43 CC(OC1=CN=CC=C1)C(=O)O Z336080820 [0,0,0,0,0,1|3,0,0]=4 114 B12R1.43 C[C@@H](CC1=CC=CC=C1)C(=O)O Z1262510261 [0,0,0,0,0,1|3,0,0]=4 115 B12R1.43 NC(=O)C(N)CC1=CC=CC=C1 Z317075516 [0,0,0,0,0,1|3,0,0]=4 116 B12R1.43 NC(=O)C(N)CC1=NC=CC=C1 Z4981909244 [0,0,0,0,0,1|2,0,1]=4 117 B12R1.43 NC(=O)[C@@H](N)CC1=CC=CC=C1 Z760046820 [0,0,0,0,0,1|3,0,0]=4 118 B12R1.43 NC(=O)[C@H](N)CC1=CC=CC=C1 Z933616656 [0,0,0,0,0,1|3,0,0]=4 119 B12R1.43 NC(CC1=CC=CC=C1)C(=O)O Z57127433 [0,0,0,0,0,1|2,0,0]=3 120 B12R1.43 NC(CC1=CC=NC=C1)C(=O)O Z1675026076 [0,0,0,0,0,1|1,0,0]=2 121 B12R1.43 NC(CC1=CN=CC=C1)C(=O)O Z3235906342 [0,0,0,0,0,1|1,0,0]=2 122 B12R1.43 NC(CC1=CN=CN=C1)C(=O)O Z3697694105 [0,0,0,0,0,1|0,0,1]=2 123 B12R1.43 NC(CC1=NC=CC=C1)C(=O)O Z3235025558 [0,0,0,0,0,1|1,0,1]=3 124 B12R1.43 NC(CC1=NC=CC=N1)C(=O)O Z2432992279 [0,0,0,0,0,1|1,0,1]=3 125 B12R1.43 NC(CC1=NC=NC=C1)C(=O)O Z2470415568 [0,0,0,0,0,1|0,0,1]=2 126 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O Z756430566 [0,0,0,0,0,1|2,0,0]=3 127 B12R1.43 N[C@H](CC1=CC=CC=C1)C(=O)O Z933646062 [0,0,0,0,0,1|2,0,0]=3 128 B12R1.43 O=C(O)C(O)CC1=CC=CC=C1 Z788000648 [0,0,0,0,0,1|3,0,0]=4 129 B12R1.43 O=C(O)C(O)CC1=NC=CC=C1 Z3486862716 [0,0,0,0,0,1|2,0,1]=4 130 B12R1.43 O=C(O)[C@@H](O)CC1=CC=CC=C1 Z1255386695 [0,0,0,0,0,1|3,0,0]=4 131 B12R1.43 O=C(O)[C@H](O)CC1=CC=CC=C1 Z1255364914 [0,0,0,0,0,1|3,0,0]=4 132 B12R1.264 CC(OCC1=CN=CS1)C(=O)O Z1714302130 [0,0,0,0,0,1|2,0,0]=3 133 B12R1.264 NC(CCC1=CNN=C1)C(=O)O Z3486116939 [0,0,0,0,0,1|2,0,0]=3 134 B9R0.47 C=CCCCC(N)C(=O)O Z2906280520 [1,0,1,0,0,0|1,0,1]=4 135 B9R1.12 O=CCCC1=CON=C1 Z2238235999 [2,0,0,0,0,0|2,0,0]=4 136 B9R1.12 O=CCCC1=CSC=C1 Z993017658 [2,0,0,0,0,0|2,0,0]=4 137 B9R1.13 NC(=O)CC1=CC=CN1 Z1203579730 [2,0,0,0,0,0|1,0,1]=4 138 B9R1.13 O=C(O)CC1=CN=CN1 Z2738358143 [2,0,0,0,0,0|1,0,1]=4 139 B11R1.25 COC(=O)CCC1=CNC=N1 Z1250100623 [1,1,0,0,0,0|0,0,2]=4 140 B11R1.25 COC(=O)CCC1=CSC=C1 Z74523177 [1,1,0,0,0,0|2,0,0]=4 141 B11R1.75 CC1=CC=C(O1)CCC(=O)O Z57248456 [1,1,0,0,0,0|2,0,0]=4 142 B11R1.75 CC1=CC=C(S1)CCC(=O)O Z381359992 [1,1,0,0,0,0|2,0,0]=4 143 B11R1.75 CC1=CNC(=N1)CCC(=O)O Z3181965688 [1,1,0,0,0,0|2,0,0]=4 144 B11R1.75 CC1=NC(=CS1)CCC(=O)O Z1184876049 [1,1,0,0,0,0|1,0,1]=4 145 B11R1.75 CC1=NC=C(O1)CCC(=O)O Z1255392347 [1,1,0,0,0,0|1,0,0]=3 146 B11R1.75 CC1=NC=C(S1)CCC(=O)O Z1079166524 [1,1,0,0,0,0|1,0,0]=3 147 B11R1.75 CC1=NN=C(O1)CCC(=O)O Z600611092 [1,1,0,0,0,0|2,0,0]=4 148 B11R1.75 CC1=NNC(=C1)CCC(=O)O Z1251358529 [1,1,0,0,0,0|2,0,0]=4 149 B11R1.75 CC1=NOC(=C1)CCC(=O)O Z1216842852 [1,1,0,0,0,0|2,0,0]=4 150 B11R1.75 CC1=NOC(=N1)CCC(=O)O Z235340089 [1,1,0,0,0,0|1,0,1]=4 151 B11R1.75 CN1C=C(C=N1)CCC(=O)O Z335291662 [1,1,0,0,0,0|2,0,0]=4 152 B11R1.75 CN1C=CC(=C1)CCC(=O)O Z1262521199 [1,1,0,0,0,0|1,0,1]=4 153 B11R1.75 CN1C=NC(=C1)CCC(=O)O Z3681634742 [1,1,0,0,0,0|0,0,2]=4 154 B11R1.75 CN1N=CC(=N1)CCC(=O)O Z2179938347 [1,1,0,0,0,0|1,0,1]=4 155 B11R1.75 NC1=NC(=CS1)CCC(=O)O Z1147235463 [1,1,0,0,0,0|1,0,1]=4 156 B11R1.75 NC1=NC=C(N1)CCC(=O)O Z3300728684 [1,1,0,0,0,0|0,0,0]=2 157 B11R1.75 NC1=NC=C(S1)CCC(=O)O Z1154248781 [1,1,0,0,0,0|1,0,0]=3 158 B11R1.75 NC1=NN(C=N1)CCC(=O)O Z2106600570 [1,1,0,0,0,0|1,0,1]=4 159 B11R1.75 NC1=NN=C(S1)CCC(=O)O Z274514086 [1,1,0,0,0,0|2,0,0]=4 160 B11R1.75 O=C(O)CCC1=CC(=CS1)Br Z381359988 [1,1,0,0,0,0|2,0,0]=4 161 B11R1.75 O=C(O)CCC1=CC(=CS1)Cl Z234898661 [1,1,0,0,0,0|2,0,0]=4 162 B11R1.75 O=C(O)CCC1=CC=C(S1)Cl Z381359990 [1,1,0,0,0,0|2,0,0]=4 163 B11R1.75 O=C(O)CCC1=CNC(=N1)S Z3235142381 [1,1,0,0,0,0|0,0,2]=4 164 B11R1.75 O=C(O)CCC1=CNC(=O)N1 Z1262517531 [1,1,0,0,0,0|0,0,1]=3 165 B11R1.77 CC(CC(=O)O)N1C=CN=C1 Z431537246 [1,1,0,0,0,0|2,0,0]=4 166 B11R1.77 NC(CC(=O)O)C1=CC=CS1 Z221523588 [1,1,0,0,0,0|2,0,0]=4 167 B11R1.77 NC(CC(=O)O)C1=CSC=C1 Z285185092 [1,1,0,0,0,0|2,0,0]=4 168 B11R1.90 CC1=C(SC=N1)CCC(=O)O Z1198166208 [1,1,0,0,0,0|1,0,0]=3 169 B11R1.90 CC1=NC=CN1CCC(=O)O Z1171978833 [1,1,0,0,0,0|2,0,0]=4 170 B11R1.90 CN1C=CC=C1CCC(=O)O Z362827938 [1,1,0,0,0,0|1,0,0]=3 171 B11R1.90 CN1C=CN=C1CCC(=O)O Z2939814866 [1,1,0,0,0,0|2,0,0]=4 172 B11R1.90 CN1C=NC=C1/C=C/C(=O)O Z1198166906 [1,1,0,0,0,0|0,0,2]=4 173 B11R1.90 CN1C=NC=C1CCC(=O)O Z1824511285 [1,1,0,0,0,0|0,0,0]=2 174 B11R1.90 CN1C=NN=C1SCC(=O)O Z55118849 [1,1,0,0,0,0|2,0,0]=4 175 B11R1.90 CN1N=CC=C1CCC(=O)O Z1198171512 [1,1,0,0,0,0|2,0,0]=4 176 B11R1.90 O=C(O)CCC1=C(C=CS1)Br Z854069976 [1,1,0,0,0,0|2,0,0]=4 177 B11R1.90 O=C(O)CCC1=C(SC=C1)Br Z2236423623 [1,1,0,0,0,0|2,0,0]=4 178 B11R1.90 O=C(O)CCC1=C(SC=C1)Cl Z2261978289 [1,1,0,0,0,0|2,0,0]=4 179 B11R1.90 O=C(O)CCN1NN=NC1=S Z1649893365 [1,1,0,0,0,0|2,0,0]=4 180 B11R1.89 CC1=C(SC=N1)C(N)C(=O)O Z1262531665 [0,1,0,0,1,0|1,0,0]=3 181 B11R1.89 CN1C=NC=C1C(O)C(=O)O Z1925930260 [0,1,0,0,1,0|1,0,0]=3 182 B11R1.314 CN1C=C(C=N1)C(N)C(=O)O Z335292112 [0,1,0,0,1,0|2,0,0]=4 183 B13R1.133 NC(CC1=CC=C(C=C1)Cl)C(=O)O Z317024982 [0,1,0,0,0,1|2,0,0]=4 184 B13R1.133 NC(CC1=CC=C(C=C1)F)C(=O)O Z57969728 [0,1,0,0,0,1|2,0,0]=4 185 B13R1.133 NC(CC1=CC=C(C=C1)I)C(=O)O Z1263631851 [0,1,0,0,0,1|2,0,0]=4 186 B13R1.133 NC(CC1=CC=C(C=C1)O)C(=O)O Z57127380 [0,1,0,0,0,1|2,0,0]=4 187 B13R1.133 NC(CC1=CN=C(C=C1)O)C(=O)O Z3543676837 [0,1,0,0,0,1|1,0,0]=3 188 B13R1.133 NC(CC1=NC=C(C=C1)Cl)C(=O)O Z3499018105 [0,1,0,0,0,1|1,0,1]=4 189 B13R1.133 N[C@@H](CC1=CC=C(C=C1)F)C(=O)O Z995228058 [0,1,0,0,0,1|2,0,0]=4 190 B13R1.133 N[C@@H](CC1=CC=C(C=C1)I)C(=O)O Z1269142887 [0,1,0,0,0,1|2,0,0]=4 191 B13R1.133 N[C@@H](CC1=CC=C(C=C1)O)C(=O)O Z756440046 [0,1,0,0,0,1|2,0,0]=4 192 B13R1.133 N[C@H](CC1=CC=C(C=C1)Cl)C(=O)O Z995228428 [0,1,0,0,0,1|2,0,0]=4 193 B13R1.133 N[C@H](CC1=CC=C(C=C1)F)C(=O)O Z995228438 [0,1,0,0,0,1|2,0,0]=4 194 B13R1.133 N[C@H](CC1=CC=C(C=C1)I)C(=O)O Z1269112635 [0,1,0,0,0,1|2,0,0]=4 195 B13R1.133 N[C@H](CC1=CC=C(C=C1)O)C(=O)O Z969739284 [0,1,0,0,0,1|2,0,0]=4 196 B13R1.135 COC(=O)C(N)CC1=CC=CC=C1 Z56867313 [0,1,0,0,0,1|2,0,0]=4 197 B13R1.135 COC(=O)C(N)CC1=CC=NC=C1 Z2197092950 [0,1,0,0,0,1|1,0,0]=3 198 B13R1.135 COC(=O)C(N)CC1=NC=CC=N1 Z5222614167 [0,1,0,0,0,1|1,0,1]=4 199 B13R1.148 CC1=CC(=CC=C1)CC(N)C(=O)O Z2470414651 [0,1,0,0,0,1|2,0,0]=4 200 B13R1.148 CC1=CC(=CN=C1)CC(N)C(=O)O Z3401637181 [0,1,0,0,0,1|1,0,0]=3 201 B13R1.148 CC1=NC(=CC=C1)CC(N)C(=O)O Z4910394436 [0,1,0,0,0,1|1,0,1]=4 202 B13R1.148 C[N+]1=CC(=CC=C1)CC(N)C(=O)O Z3827376923 [0,1,0,0,0,1|1,0,1]=4 203 B13R1.148 NC(CC1=CC(=CC=C1)Br)C(=O)O Z1770192944 [0,1,0,0,0,1|2,0,0]=4 204 B13R1.148 NC(CC1=CC(=CC=C1)Cl)C(=O)O Z1374884687 [0,1,0,0,0,1|2,0,0]=4 205 B13R1.148 NC(CC1=CC(=CC=C1)O)C(=O)O Z317025828 [0,1,0,0,0,1|2,0,0]=4 206 B13R1.148 NC(CC1=CC(=CN=C1)Br)C(=O)O Z3444795124 [0,1,0,0,0,1|1,0,0]=3 207 B13R1.148 NC(CC1=CC(=CN=C1)Cl)C(=O)O Z3353591955 [0,1,0,0,0,1|1,0,0]=3 208 B13R1.148 NC(CC1=CC(=CN=C1)F)C(=O)O Z3376051877 [0,1,0,0,0,1|1,0,0]=3 209 B13R1.148 NC(CC1=CC(=CN=C1)O)C(=O)O Z3400819408 [0,1,0,0,0,1|1,0,0]=3 210 B13R1.148 NC(CC1=CC(=NC=C1)O)C(=O)O Z3481534727 [0,1,0,0,0,1|1,0,0]=3 211 B13R1.148 NC(CC1=NC(=CC=N1)O)C(=O)O Z3326140144 [0,1,0,0,0,1|1,0,1]=4 212 B13R1.148 NC(CC1=NC=CC(=C1)Cl)C(=O)O Z3780525124 [0,1,0,0,0,1|1,0,1]=4 213 B13R1.148 NC(CC1=NC=NC(=C1)O)C(=O)O Z3531845722 [0,1,0,0,0,1|0,0,1]=3 214 B13R1.148 NC1=CC(=NC=C1)CC(N)C(=O)O Z3400147310 [0,1,0,0,0,1|1,0,1]=4 215 B13R1.148 N[C@@H](CC1=CC(=CC=C1)O)C(=O)O Z995228186 [0,1,0,0,0,1|2,0,0]=4 216 B13R1.148 N[C@H](CC1=CC(=CC=C1)O)C(=O)O Z995228562 [0,1,0,0,0,1|2,0,0]=4 217 B13R1.152 CC(C1=CC=CC=C1)C(N)C(=O)O Z802846100 [0,1,0,0,0,1|2,0,0]=4 218 B13R1.152 NC(C(=O)O)C(O)C1=CC=CC=C1 Z1649893051 [0,1,0,0,0,1|2,0,0]=4 219 B13R1.202 NC(CC1=C(C=CC=C1)Br)C(=O)O Z2217033050 [0,1,0,0,0,1|2,0,0]=4 220 B13R1.202 NC(CC1=C(C=CC=C1)O)C(=O)O Z1065645436 [0,1,0,0,0,1|2,0,0]=4 221 B13R1.202 NC(CC1=C(N=CC=C1)O)C(=O)O Z3492296846 [0,1,0,0,0,1|1,0,0]=3 222 B13R1.202 NC(CC1=CN=CNC1=O)C(=O)O Z1510031321 [0,1,0,0,0,1|0,0,0]=2 223 B13R1.418 CNC(CC1=CC=CC=C1)C(=O)O Z446011606 [0,1,0,0,0,1|2,0,0]=4 224 B13R1.418 NCC(CC1=CC=CC=C1)C(=O)O Z1258578382 [0,1,0,0,0,1|2,0,0]=4 225 B13R1.418 NCC(CC1=CC=NC=C1)C(=O)O Z2382197013 [0,1,0,0,0,1|1,0,0]=3 226 B13R1.418 NCC(CC1=CN=CC=C1)C(=O)O Z1601464443 [0,1,0,0,0,1|1,0,0]=3 227 B13R1.418 NCC(CC1=NC=CC=C1)C(=O)O Z1259273372 [0,1,0,0,0,1|1,0,1]=4 228 B13R1.1073 CC(N)(CC1=CC=CC=C1)C(=O)O Z2680629352 [0,1,0,0,0,1|2,0,0]=4 229 B13R1.1073 CC(N)(CC1=CC=NC=C1)C(=O)O Z1251361035 [0,1,0,0,0,1|1,0,0]=3 230 B13R1.1073 CC(N)(CC1=NC=CC=C1)C(=O)O Z4830335089 [0,1,0,0,0,1|1,0,1]=4 231 B13R1.339 NC(CC(=O)C1=CC=CS1)C(=O)O Z1483934642 [0,1,0,0,0,1|2,0,0]=4 232 B13R1.554 COC(=O)C(N)CCC1=CNN=C1 Z3477899226 [0,1,0,0,0,1|2,0,0]=4 233 B13R1.554 COC(=O)[C@@H](C)NCC1=CN=CS1 Z1951628717 [0,1,0,0,0,1|2,0,0]=4 234 B13R1.3425 CN1C=C(C=N1)CCC(N)C(=O)O Z3900676467 [0,1,0,0,0,1|2,0,0]=4 235 B13R1.134 COC(=O)C(N)CC1=CN(N=C1)C Z3376069931 [0,2,0,0,0,0|2,0,0]=4 236 B13R1.410 CN1C=C(C=N1)CC(CN)C(=O)O Z2306603788 [0,2,0,0,0,0|2,0,0]=4 237 B13R1.3481 CC1=NN(C=C1CC(N)C(=O)O)C Z3251991435 [0,2,0,0,0,0|2,0,0]=4 238 B13R1.3481 NC(CC1=C(SC(=C1)Br)Br)C(=O)O Z3481837686 [0,2,0,0,0,0|2,0,0]=4 239 B13R1.3481 NC(CC1=C(SC(=C1)Cl)Cl)C(=O)O Z3337481030 [0,2,0,0,0,0|2,0,0]=4 240 B13R1.5896 CC1=C(C=NN1C)CC(N)C(=O)O Z1742195270 [0,2,0,0,0,0|2,0,0]=4 241 B13R1.66 CCOC(=O)[C@@H](N)CC1=CNC=N1 Z1266933876 [0,2,0,0,0,0|0,0,2]=4 242 B13R1.704 COC(=O)C(N)CC1=C(N=CN1)C Z4321016312 [0,2,0,0,0,0|0,0,0]=2 243 B13R1.704 COC(=O)C(N)CC1=CC=NN1C Z4124919946 [0,2,0,0,0,0|2,0,0]=4 244 B13R1.704 COC(=O)C(N)CC1=NC=CN1C Z3030989211 [0,2,0,0,0,0|2,0,0]=4 245 B13R1.5639 CC(CN)(CC1=CC=CO1)C(=O)O Z1526506420 [0,2,0,0,0,0|2,0,0]=4 246 B13R1.5639 CC(CN)(CC1=CC=CS1)C(=O)O Z1526538624 [0,2,0,0,0,0|2,0,0]=4 247 B11R1.74 O=C1C[C@H](NC(=O)N1)C(=O)O Z1198153153 [0,0,1,1,0,0|2,0,0]=4 248 B11R1.36 NC(C(=O)O)C1=CN=CC=C1 Z815264186 [0,0,1,1,0,0|1,0,1]=4 249 B13R2.369 NC1CC2=C(C=CN=C2)NC1=O Z2786036033 [0,0,0,1,0,1|2,0,0]=4 250 B13R2.369 NC1CC2=C(N=CC=C2)NC1=O Z2787257522 [0,0,0,1,0,1|2,0,0]=4 251 B13R2.423 O=C(O)[C@@H]1C[C@H]1C2=CC=NC=C2 Z2379204261 [0,0,0,1,0,1|2,0,0]=4 252 B13R2.423 O=C(O)[C@@H]1C[C@H]1C2=CN=CC=C2 Z2242045438 [0,0,0,1,0,1|2,0,0]=4 253 B13R2.435 O=C(O)C1CC2=C(C1)C=NC=C2 Z2213893333 [0,0,0,1,0,1|2,0,0]=4 254 B13R2.435 O=C(O)C1CC2=C(C1)N=CC=C2 Z1262528380 [0,0,0,1,0,1|2,0,0]=4 255 B13R2.435 O=C(O)C1CC2=C(C1)N=CC=N2 Z1416181876 [0,0,0,1,0,1|1,0,1]=4 256 B13R2.435 O=C(O)C1CC2=C(N1)C=CC=C2 Z343211224 [0,0,0,1,0,1|2,0,0]=4 257 B13R2.435 O=C(O)[C@@H]1CC2=C(N1)C=CC=C2 Z335079490 [0,0,0,1,0,1|2,0,0]=4 258 B13R2.430 O=C(O)C1CCC2=C(C1)N=CN2 Z1741975324 [0,0,0,1,0,1|1,0,0]=3 259 B13R2.430 O=C(O)C1CCC2=C(C1)N=CS2 Z1262557004 [0,0,0,1,0,1|2,0,0]=4 260 B13R2.430 O=C(O)C1CCC2=C(C1)N=NN2 Z1262531315 [0,0,0,1,0,1|2,0,0]=4 261 B13R2.430 O=C(O)C1CCC2=C(N1)NN=C2 Z5000345097 [0,0,0,1,0,1|2,0,0]=4 262 B13R2.430 O=C(O)C1CCC2=CN=CN2C1 Z2044769426 [0,0,0,1,0,1|1,0,0]=3 263 B13R2.430 O=C(O)C1CCC2=CN=NN2C1 Z3242853955 [0,0,0,1,0,1|2,0,0]=4 264 B13R2.430 O=C(O)C1CCC2=NN=CN2C1 Z653099860 [0,0,0,1,0,1|2,0,0]=4 265 B13R2.430 O=C(O)C1CN2C=NN=C2CN1 Z2831447767 [0,0,0,1,0,1|2,0,0]=4 266 B13R2.3678 CC1=NN=C2N1CC(C2)C(=O)O Z3446469137 [0,1,0,1,0,0|2,0,0]=4 267 B13R2.3678 CN1C=NC2=C1C=C(N2)C(=O)O Z1258976896 [0,1,0,1,0,0|0,0,2]=4 268 B13R2.3437 CN1C=NC=C1[C@@H]2C[C@H]2C(=O)O Z2235585086 [0,1,0,1,0,0|1,0,0]=3 269 B11R1.40 NC(CO)CC1=CC=NC=C1 Z1824511267 [1,0,0,0,0,1|1,0,1]=4 270 B11R1.91 NC(=O)CCC1=CC=NC=C1 Z1095213378 [1,0,0,0,0,1|2,0,0]=4 271 B11R1.91 O=C(O)CCC1=CC=CC=C1 Z57127332 [1,0,0,0,0,1|2,0,0]=4 272 B11R1.91 O=C(O)CCC1=CC=NC=C1 Z317037982 [1,0,0,0,0,1|1,0,0]=3 273 B11R1.91 O=C(O)CCC1=CN=CC=C1 Z89264892 [1,0,0,0,0,1|1,0,0]=3 274 B11R1.91 O=C(O)CCC1=CN=CN=C1 Z1198279878 [1,0,0,0,0,1|0,0,1]=3 275 B11R1.91 O=C(O)CCC1=NC=CC=C1 Z317037998 [1,0,0,0,0,1|1,0,1]=4 276 B11R1.91 O=C(O)CCC1=NC=CC=N1 Z1255372831 [1,0,0,0,0,1|1,0,1]=4 277 B11R1.91 O=C(O)CCC1=NC=CN=C1 Z1198184629 [1,0,0,0,0,1|0,0,1]=3 278 B11R1.91 O=C(O)CCC1=NC=NC=C1 Z1184882132 [1,0,0,0,0,1|0,0,1]=3 279 B11R1.91 O=C(O)CNC1=CC=NC=C1 Z2350906909 [1,0,0,0,0,1|2,0,0]=4 280 B11R1.91 O=C(O)CNC1=CN=CC=C1 Z3058782338 [1,0,0,0,0,1|2,0,0]=4 281 B11R1.91 O=C(O)COC1=CN=CC=C1 Z1171978878 [1,0,0,0,0,1|2,0,0]=4 282 B11R1.91 O=C(O)CSC1=CC=NC=C1 Z104479390 [1,0,0,0,0,1|2,0,0]=4 283 B11R1.172 CC(=O)NCCC1=NN=CN1 Z1268370802 [1,0,0,0,0,1|2,0,0]=4 284 B11R1.172 NC(=O)CSCC1=CN=CS1 Z2589333503 [1,0,0,0,0,1|2,0,0]=4 285 B11R1.172 O=C(O)CCCC1=CC=CS1 Z56951195 [1,0,0,0,0,1|2,0,0]=4 286 B11R1.172 O=C(O)CCCN1C=CN=C1 Z285049642 [1,0,0,0,0,1|2,0,0]=4 287 B11R1.172 O=C(O)CCCN1C=NC=N1 Z285049640 [1,0,0,0,0,1|1,0,1]=4 288 B11R1.172 O=C(O)CSCC1=CC=CS1 Z57983103 [1,0,0,0,0,1|2,0,0]=4 289 B11R1.172 O=C(O)CSCC1=CSC=C1 Z107334134 [1,0,0,0,0,1|2,0,0]=4 290 B11R1.172 O=C(O)CSCC1=CSC=N1 Z149152078 [1,0,0,0,0,1|1,0,1]=4 291 B11R1.172 O=C(O)CSCC1=NC=CN1 Z1162907897 [1,0,0,0,0,1|2,0,0]=4 292 B11R1.172 O=C(O)CSCC1=NN=NN1 Z2174704055 [1,0,0,0,0,1|2,0,0]=4 293 B13R1.348 NC(CC(=O)O)CC1=CC=CC=C1 Z1318516262 [0,0,0,0,0,2|2,0,0]=4 294 B13R1.351 CC(NCC1=CN=CC=C1)C(=O)O Z440613690 [0,0,0,0,0,2|2,0,0]=4 295 B13R1.351 CC(OCC1=CC=NC=C1)C(=O)O Z2235681270 [0,0,0,0,0,2|2,0,0]=4 296 B13R1.351 NC(CCC1=CC=CC=C1)C(=O)O Z317025074 [0,0,0,0,0,2|2,0,0]=4 297 B13R1.351 NC(CCC1=CC=NC=C1)C(=O)O Z3004510439 [0,0,0,0,0,2|1,0,0]=3 298 B13R1.351 NC(CCC1=NC=CC=C1)C(=O)O Z2310672466 [0,0,0,0,0,2|1,0,1]=4 299 B13R1.351 N[C@@H](CCC1=CC=CC=C1)C(=O)O Z1255434715 [0,0,0,0,0,2|2,0,0]=4 300 B13R1.351 N[C@H](CCC1=CC=CC=C1)C(=O)O Z1255399095 [0,0,0,0,0,2|2,0,0]=4