0 B13R2.4825 CC1=C(C)C2=CC=CC(N)=C2N1 CS16681 [0,0,0,0,0,0|4,0,0]=4 1 B13R2.4825 O=C1NC2=C(Br)C=CC=C2C1=O CS13925 [0,0,0,0,0,0|2,0,1]=3 2 B13R2.4825 O=C1NC2=C(Cl)C=CC=C2C1=O CS20590 [0,0,0,0,0,0|2,0,1]=3 3 B13R2.4825 O=C1NC2=C(F)C=CC=C2C1=O CS10646 [0,0,0,0,0,0|2,0,1]=3 4 B12R2.18 CC1=CC2=CC=CC=C2N1C CS10010 [1,0,0,0,0,0|3,0,0]=4 5 B12R2.18 CN1C(=O)NC2=CC=CN=C21 MC427257 [1,0,0,0,0,0|2,0,0]=3 6 B12R2.18 CN1C(=O)OC2=C1C=CC=C2 MC10211 [1,0,0,0,0,0|2,0,0]=3 7 B12R2.18 CN1C(N)=CC2=CC=CC=C21 MC106654 [1,0,0,0,0,0|3,0,0]=4 8 B12R2.18 O=C1NC2=CC=CC=C2C1=O CS11506 [1,0,0,0,0,0|1,0,1]=3 9 B12R2.196 CC1=CC=CC2=C1N=NN2[Na] MC20854 [1,0,0,0,0,0|2,0,1]=4 10 B12R2.196 CN1C=CC2=C1C=CC=C2O CS13327 [1,0,0,0,0,0|3,0,0]=4 11 B12R2.196 CN1C=NC2=C1C=CC=C2Br CS17911 [1,0,0,0,0,0|2,0,1]=4 12 B12R2.196 CN1C=NC2=C1C=CC=C2N CS22542 [1,0,0,0,0,0|2,0,1]=4 13 B12R2.196 NC1=C2NC=C(Cl)C2=CC=C1 MC111125 [1,0,0,0,0,0|3,0,0]=4 14 B12R2.202 CC1=C2CC(=O)NC2=CC=C1 CS22978 [1,0,0,0,0,0|1,0,0]=2 15 B12R2.202 CC1=CC2=C(Br)C=CC=C2N1 CS14478 [1,0,0,0,0,0|3,0,0]=4 16 B12R2.202 CC1=CC=CC2=C1N=C(N)S2 MC31057 [1,0,0,0,0,0|2,0,1]=4 17 B12R2.202 CC1=CC=CC2=C1NC(=S)S2 MC31091 [1,0,0,0,0,0|1,1,0]=3 18 B12R2.202 CC1=NC2=C(C=CC=C2Br)N1 CS14639 [1,0,0,0,0,0|2,0,1]=4 19 B12R2.202 ClC1=CC=CC2=C1N=C(Br)N2 MC106094 [1,0,0,0,0,0|2,0,1]=4 20 B12R2.202 ClC1=CC=CC2=C1N=C(Cl)N2 MC106093 [1,0,0,0,0,0|2,0,1]=4 21 B12R2.202 FC1=CC=CC2=C1N=C(Cl)N2 CS20700 [1,0,0,0,0,0|2,0,1]=4 22 B12R2.202 FC1=CC=CC2=C1NC(=S)S2 MC31062 [1,0,0,0,0,0|2,1,0]=4 23 B12R2.202 NC1=NC2=C(C=CC=C2Cl)N1 CS16891 [1,0,0,0,0,0|2,0,1]=4 24 B12R2.202 O=C1CC2=C(Br)C=CC=C2N1 CS18574 [1,0,0,0,0,0|2,0,0]=3 25 B12R2.202 O=C1CC2=C(Br)C=CN=C2N1 CS12508 [1,0,0,0,0,0|3,0,0]=4 26 B12R2.202 O=C1CC2=C(Cl)C=CC=C2N1 CS18158 [1,0,0,0,0,0|2,0,0]=3 27 B12R2.202 O=C1CC2=C(F)C=CC=C2N1 CS22838 [1,0,0,0,0,0|2,0,0]=3 28 B12R2.202 O=C1CC2=CC=CC(Br)=C2N1 CS14679 [1,0,0,0,0,0|2,0,0]=3 29 B12R2.202 O=C1CC2=CC=CC(Cl)=C2C1 CS22741 [1,0,0,0,0,0|3,0,0]=4 30 B12R2.202 O=C1CC2=CC=CC(Cl)=C2N1 MC10111 [1,0,0,0,0,0|2,0,0]=3 31 B12R2.202 O=C1CC2=CC=CC(F)=C2N1 MC10168 [1,0,0,0,0,0|2,0,0]=3 32 B12R2.202 O=C1NC2=C(C=CC=C2Cl)S1 MC31137 [1,0,0,0,0,0|2,0,0]=3 33 B12R2.202 O=C1NC2=C(C=CC=C2F)S1 CS15435 [1,0,0,0,0,0|2,0,0]=3 34 B12R2.202 O=C1NC2=C(N1)C(Br)=CN=C2 MC427185 [1,0,0,0,0,0|2,0,0]=3 35 B12R2.202 O=C1NC2=C(O1)C(Br)=CC=C2 CS14681 [1,0,0,0,0,0|2,0,0]=3 36 B12R2.202 O=C1NC2=C(S1)C(Cl)=CC=C2 CS17214 [1,0,0,0,0,0|2,0,0]=3 37 B12R2.202 O=C1NC2=NC=NC(Cl)=C2N1 MC443381 [1,0,0,0,0,0|3,0,0]=4 38 B12R2.202 S=C1NC2=C(S1)C(Cl)=CC=C2 CS17215 [1,0,0,0,0,0|2,1,0]=4 39 B14R2.2151 CN1C(C=O)=NC2=C1C=CC=C2Br MC33416 [0,1,0,0,0,0|2,0,1]=4 40 B14R2.8620 O=C1NC2=C(Br)C=CC(F)=C2C1=O MC41763 [0,1,0,0,0,0|2,0,1]=4 41 B14R2.8737 Cc1ccc2c(c1F)NC(=O)C2=O MC433922 [0,1,0,0,0,0|2,0,1]=4 42 B14R2.11645 CCC1=C2NC(=O)C(=O)C2=CC=C1 MC442302 [0,1,0,0,0,0|1,0,1]=3 43 B14R2.11645 CN1C(=O)CC2=C1C=CC=C2C=O MC111236 [0,1,0,0,0,0|2,0,1]=4 44 B14R2.11645 COC1=C2NC(=O)C(=O)C2=CC=C1 CS10823 [0,1,0,0,0,0|1,0,1]=3 45 B12R1.24 NC1=C(C(=O)C=O)C=CC=C1F MC434029 [0,0,1,0,0,0|2,0,1]=4 46 B12R1.225 CC1=CC(C(C)C(=O)O)=CC=C1 MC442791 [0,0,1,0,0,0|3,0,0]=4 47 B12R1.225 O=C(O)C(O)C1=CC(F)=CC=C1 CS13705 [0,0,1,0,0,0|3,0,0]=4 48 B14R2.8045 O=C1NC2=C(C=CC=C2Br)C(=O)O1 MC106559 [0,0,0,0,0,1|2,0,1]=4 49 B14R2.8045 O=C1NC2=C(C=CC=C2F)C(=O)O1 MC106613 [0,0,0,0,0,1|2,0,1]=4 50 B11R1.159 CC1=C(N)C([N+](=O)[O-])=CC=C1 CS20380 [1,0,1,0,0,0|0,0,2]=4 51 B11R1.159 CC1=CC=CC(C(=O)O)=C1Br CS10769 [1,0,1,0,0,0|2,0,0]=4 52 B11R1.159 CC1=CC=CC(C(=O)O)=C1C CS21070 [1,0,1,0,0,0|2,0,0]=4 53 B11R1.159 CC1=CC=CC(C(=O)O)=C1F CS21867 [1,0,1,0,0,0|2,0,0]=4 54 B11R1.159 CC1=CC=CC(C(=O)O)=C1I CS21611 [1,0,1,0,0,0|2,0,0]=4 55 B11R1.159 CC1=CC=CC(C(=O)O)=C1N CS21804 [1,0,1,0,0,0|1,0,0]=3 56 B11R1.159 CC1=CC=CC(C(=O)O)=C1O CS16085 [1,0,1,0,0,0|2,0,0]=4 57 B11R1.159 NC1=C(C(=O)O)C=CC=C1Br CS20178 [1,0,1,0,0,0|2,0,0]=4 58 B11R1.159 NC1=C(C(=O)O)C=CC=C1Cl CS20200 [1,0,1,0,0,0|2,0,0]=4 59 B11R1.159 NC1=C(C(=O)O)C=CC=C1F CS10428 [1,0,1,0,0,0|2,0,0]=4 60 B11R1.159 NC1=C(C(=O)O)C=CC=C1I CS14916 [1,0,1,0,0,0|2,0,0]=4 61 B11R1.159 NC1=C(C(=O)O)C=CC=C1O CS20329 [1,0,1,0,0,0|2,0,0]=4 62 B11R1.159 NC1=CC=CC(C(=O)O)=C1N CS13398 [1,0,1,0,0,0|2,0,0]=4 63 B11R1.36 CN(C(N)=S)C1=CC=CC=C1 MC427369 [1,0,1,0,0,0|1,1,0]=4 64 B11R1.36 NC(=O)C(N)C1=CC=CC=C1 CS15488 [1,0,1,0,0,0|2,0,0]=4 65 B11R1.36 NC(=O)C(N)c1ccccc1 MC438104 [1,0,1,0,0,0|2,0,0]=4 66 B11R1.36 O=C(O)C(O)C1=CC=CC=C1 CS10861 [1,0,1,0,0,0|2,0,0]=4 67 B11R1.36 O=C(O)C(O)C1=CC=CC=C1 CS10862 [1,0,1,0,0,0|2,0,0]=4 68 B11R1.36 O=C(O)C(O)C1=CC=CC=C1 CS15279 [1,0,1,0,0,0|2,0,0]=4 69 B11R1.157 CC(=O)NC1=CC(F)=CC=C1 MC33114 [1,0,1,0,0,0|2,0,0]=4 70 B11R1.157 CC(=O)NC1=CC(N)=CC=C1 CS22093 [1,0,1,0,0,0|2,0,0]=4 71 B11R1.157 CC(=O)OC1=CC(C)=CC=C1 MC40008 [1,0,1,0,0,0|2,0,0]=4 72 B11R1.157 Cc1cccc(CC(=O)O)c1 MC433961 [1,0,1,0,0,0|2,0,0]=4 73 B11R1.157 NC(=S)NC1=CC(Br)=CC=C1 MC427249 [1,0,1,0,0,0|1,1,0]=4 74 B11R1.40 O=C(CO)CC1=CC=CC=C1 MC107738 [1,0,1,0,0,0|2,0,0]=4 75 B11R1.86 CC(=O)NC1=C(Br)C=CC=C1 MC427446 [1,0,1,0,0,0|2,0,0]=4 76 B11R1.86 CC(=O)NC1=C(O)C=CC=C1 CS21203 [1,0,1,0,0,0|2,0,0]=4 77 B11R1.86 CC(=O)OC1=C(C)C=CC=C1 MC40007 [1,0,1,0,0,0|2,0,0]=4 78 B11R1.86 CC1=C(CC(=O)O)C=CC=C1 CS21083 [1,0,1,0,0,0|1,0,0]=3 79 B11R1.86 NC(=S)NC1=C(Br)C=CC=C1 MC427415 [1,0,1,0,0,0|1,1,0]=4 80 B11R1.86 NC(=S)NC1=C(F)C=CC=C1 MC33179 [1,0,1,0,0,0|1,1,0]=4 81 B11R1.86 NC1=C(CC(=O)O)C=CC=C1 CS20995 [1,0,1,0,0,0|2,0,0]=4 82 B11R1.86 O=C(O)CC1=C(Br)C=CC=C1 CS20809 [1,0,1,0,0,0|2,0,0]=4 83 B11R1.86 O=C(O)CC1=C(Cl)C=CC=C1 CS20826 [1,0,1,0,0,0|2,0,0]=4 84 B11R1.86 O=C(O)CC1=C(F)C=CC=C1 MC429403 [1,0,1,0,0,0|2,0,0]=4 85 B11R1.86 O=C(O)CC1=C(I)C=CC=C1 CS20849 [1,0,1,0,0,0|2,0,0]=4 86 B11R1.86 O=C(O)CC1=C(O)C=CC=C1 CS20941 [1,0,1,0,0,0|2,0,0]=4 87 B11R1.265 COC1=C(C=O)C(C)=CC=C1 CS21645 [1,0,1,0,0,0|2,0,0]=4 88 B11R2.1 CC1=CNC2=CC=CC=C12 CS11030 [2,0,0,0,0,0|2,0,0]=4 89 B11R2.1 CN1C=CC2=CC=CC=C21 CS11026 [2,0,0,0,0,0|2,0,0]=4 90 B11R2.1 ClC1=CNC2=CC=CC=C12 MC427199 [2,0,0,0,0,0|2,0,0]=4 91 B11R2.1 NN1C=CC2=CC=CC=C21 CS19942 [2,0,0,0,0,0|2,0,0]=4 92 B11R2.1 ON1N=NC2=C1C=CC=C2 CS19338 [2,0,0,0,0,0|1,0,1]=4 93 B11R2.1 ON1N=NC2=C1C=CC=C2 CS22993 [2,0,0,0,0,0|1,0,1]=4 94 B11R2.10 BrC1=NC2=C(C=CC=C2)N1 CS21331 [2,0,0,0,0,0|1,0,1]=4 95 B11R2.10 CC1=CC2=CC=CC=C2N1 CS18563 [2,0,0,0,0,0|2,0,0]=4 96 B11R2.10 CC1=NC2=C(C=CC=C2)N1 CS15288 [2,0,0,0,0,0|1,0,1]=4 97 B11R2.10 ClC1=CC2=CC=CC=C2N1 MC444183 [2,0,0,0,0,0|2,0,0]=4 98 B11R2.10 ClC1=NC2=C(C=CC=C2)N1 CS21427 [2,0,0,0,0,0|1,0,1]=4 99 B11R2.10 NC1=NC2=C(C=CC=C2)N1 CS16315 [2,0,0,0,0,0|1,0,1]=4 100 B11R2.10 O=C1CC2=C(C=CC=C2)O1 MC20944 [2,0,0,0,0,0|2,0,0]=4 101 B11R2.10 O=C1CC2=CC=CC=C2C1 CS16080 [2,0,0,0,0,0|2,0,0]=4 102 B11R2.10 O=C1CC2=CC=CC=C2N1 CS15184 [2,0,0,0,0,0|1,0,0]=3 103 B11R2.10 O=C1CC2=CC=NC=C2N1 MC100071 [2,0,0,0,0,0|2,0,0]=4 104 B11R2.10 O=C1NC2=C(C=CC=C2)O1 CS15190 [2,0,0,0,0,0|1,0,0]=3 105 B11R2.10 O=C1NC2=CC=CN=C2N1 CS20518 [2,0,0,0,0,0|1,0,0]=3 106 B11R2.10 O=C1NC2=NC=CC=C2O1 CS18902 [2,0,0,0,0,0|2,0,0]=4 107 B11R2.10 O=C1NC2=NC=CN=C2N1 MC116441 [2,0,0,0,0,0|2,0,0]=4 108 B11R2.10 O=C1OC2=C(C=CC=C2)O1 CS10973 [2,0,0,0,0,0|2,0,0]=4 109 B11R2.10 OC1=NC2=C(C=CC=C2)N1 CS20242 [2,0,0,0,0,0|0,0,2]=4 110 B11R2.10 S=C1NC2=C(C=NC=C2)N1 MC425114 [2,0,0,0,0,0|1,1,0]=4 111 B11R2.10 SC1=NC2=C(C=CC=C2)N1 MC20678 [2,0,0,0,0,0|0,1,1]=4 112 B11R2.106 BrC1=C2C=CNC2=CC=C1 CS20686 [2,0,0,0,0,0|2,0,0]=4 113 B11R2.106 BrC1=C2NC=CC2=CC=C1 CS10709 [2,0,0,0,0,0|2,0,0]=4 114 B11R2.106 BrC1=CC=CC2=C1N=CN2 CS12099 [2,0,0,0,0,0|1,0,1]=4 115 B11R2.106 CC1=C2C=CNC2=CC=C1 CS21706 [2,0,0,0,0,0|1,0,0]=3 116 B11R2.106 CC1=C2C=CNC2=CN=C1 MC103792 [2,0,0,0,0,0|2,0,0]=4 117 B11R2.106 CC1=C2C=CNC2=NC=C1 MC444356 [2,0,0,0,0,0|2,0,0]=4 118 B11R2.106 CC1=C2C=NNC2=CC=C1 CS22943 [2,0,0,0,0,0|2,0,0]=4 119 B11R2.106 CC1=C2CCNC2=CC=C1 MC425439 [2,0,0,0,0,0|1,0,1]=4 120 B11R2.106 CC1=C2N=CNC2=NC=C1 MC444458 [2,0,0,0,0,0|1,0,1]=4 121 B11R2.106 CC1=C2NC=CC2=CC=C1 CS11034 [2,0,0,0,0,0|1,0,0]=3 122 B11R2.106 CC1=C2NC=CC2=NC=C1 MC104033 [2,0,0,0,0,0|2,0,0]=4 123 B11R2.106 CC1=C2NCCC2=CC=C1 CS18412 [2,0,0,0,0,0|1,0,1]=4 124 B11R2.106 CC1=C2NN=CC2=CC=C1 CS10824 [2,0,0,0,0,0|2,0,0]=4 125 B11R2.106 CC1=CC=CC2=C1C=CS2 MC441056 [2,0,0,0,0,0|2,0,0]=4 126 B11R2.106 CC1=CC=CC2=C1NC=N2 MC106503 [2,0,0,0,0,0|0,0,1]=3 127 B11R2.106 CC1=CC=CC2=C1OC=C2 MC441162 [2,0,0,0,0,0|2,0,0]=4 128 B11R2.106 CC1=CC=CC2=C1SC=C2 MC441270 [2,0,0,0,0,0|2,0,0]=4 129 B11R2.106 CC1=NC=CC2=C1C=CN2 MC103793 [2,0,0,0,0,0|2,0,0]=4 130 B11R2.106 ClC1=C2C=CNC2=CC=C1 CS10725 [2,0,0,0,0,0|2,0,0]=4 131 B11R2.106 ClC1=C2NC=CC2=CC=C1 CS14936 [2,0,0,0,0,0|2,0,0]=4 132 B11R2.106 FC1=C2C=CNC2=CC=C1 CS10745 [2,0,0,0,0,0|2,0,0]=4 133 B11R2.106 FC1=C2NC=CC2=CC=C1 CS10747 [2,0,0,0,0,0|2,0,0]=4 134 B11R2.106 FC1=CC=CC2=C1N=CN2 MC445693 [2,0,0,0,0,0|1,0,1]=4 135 B11R2.106 IC1=CC=CC2=C1NC=N2 MC427402 [2,0,0,0,0,0|1,0,1]=4 136 B11R2.106 NC1=C2C=CNC2=CC=C1 CS20916 [2,0,0,0,0,0|2,0,0]=4 137 B11R2.106 NC1=C2NC=CC2=CC=C1 CS10501 [2,0,0,0,0,0|2,0,0]=4 138 B11R2.106 NC1=CC=CC2=C1NC=N2 MC20436 [2,0,0,0,0,0|1,0,1]=4 139 B11R2.106 OC1=CC=CC2=C1C=CN2 CS10821 [2,0,0,0,0,0|2,0,0]=4 140 B13R1.4928 CC1=CC=CC(C)=C1NC(=O)CCl CS22299 [0,1,1,0,0,0|2,0,0]=4 141 B13R2.45 CN1C(C=O)=NC2=C1C=CC=C2 MC33348 [1,1,0,0,0,0|1,0,1]=4 142 B13R2.359 CC1(C)C(=O)NC2=CC=CC=C21 MC425452 [1,1,0,0,0,0|2,0,0]=4 143 B13R2.3028 CC1=CC=C2NC(=O)C(=O)C2=C1 CS10988 [1,1,0,0,0,0|1,0,1]=4 144 B13R2.3028 CC1C(=O)NC2=CC=C(Br)C=C21 CS14604 [1,1,0,0,0,0|2,0,0]=4 145 B13R2.3028 CN1C(=O)NC2=C1C=C(N)C=C2 MC431669 [1,1,0,0,0,0|1,0,0]=3 146 B13R2.3028 O=C1NC2=CC=C(Br)C=C2C1=O CS22039 [1,1,0,0,0,0|1,0,1]=4 147 B13R2.3028 O=C1NC2=CC=C(Cl)C=C2C1=O CS10615 [1,1,0,0,0,0|1,0,1]=4 148 B13R2.3028 O=C1NC2=CC=C(F)C=C2C1=O CS22060 [1,1,0,0,0,0|1,0,1]=4 149 B13R2.4856 O=C1NC2=CC=CC(Br)=C2C1=O CS13924 [1,1,0,0,0,0|1,0,1]=4 150 B13R2.4856 O=C1NC2=CC=CC(Cl)=C2C1=O CS22789 [1,1,0,0,0,0|1,0,1]=4 151 B13R2.4856 O=C1NC2=CC=CC(F)=C2C1=O CS22839 [1,1,0,0,0,0|1,0,1]=4 152 B13R2.5190 CC1C(=O)NC2=CC(Br)=CC=C21 MC111737 [1,1,0,0,0,0|2,0,0]=4 153 B13R2.5190 CN1C(=O)NC2=CC(I)=CN=C21 MC427312 [1,1,0,0,0,0|2,0,0]=4 154 B13R2.5190 O=C1NC2=CC(Br)=CC=C2C1=O CS15400 [1,1,0,0,0,0|1,0,1]=4 155 B13R2.5190 O=C1NC2=CC(Cl)=CC=C2C1=O CS10616 [1,1,0,0,0,0|1,0,1]=4 156 B13R2.5190 O=C1NC2=CC(F)=CC=C2C1=O CS10704 [1,1,0,0,0,0|1,0,1]=4 157 B13R2.581 COC1=C2CC(=O)NC2=CC=C1 CS22921 [1,1,0,0,0,0|1,0,0]=3 158 B13R2.581 COC1=CC=CC2=C1NC(=O)S2 CS20854 [1,1,0,0,0,0|1,0,0]=3 159 B13R2.3050 O=C1CC2=C(Cl)C(F)=CC=C2N1 MC432287 [1,1,0,0,0,0|2,0,0]=4 160 B13R2.5397 NC1=C2NC(=O)CC2=CC(F)=C1 CS15843 [1,1,0,0,0,0|2,0,0]=4 161 B13R2.5397 O=C1CC2=C(F)C=C(F)C=C2N1 CS21956 [1,1,0,0,0,0|2,0,0]=4 162 B13R2.5397 O=C1NC2=C(N1)C(F)=CC(F)=C2 MC429644 [1,1,0,0,0,0|1,0,0]=3 163 B15R2.6574 O=C1NC2=C(Cl)C(Cl)=CC=C2\C1=N\O MC443038 [0,2,0,0,0,0|2,0,0]=4 164 B15R2.22624 CCC1=C2NC(=O)C(=O)C2=CC(Br)=C1 CS17207 [0,2,0,0,0,0|1,0,1]=4 165 B13R2.162 O=C1COC2=C(N1)C(F)=CC=C2 MC442252 [0,0,1,1,0,0|2,0,0]=4 166 B13R2.163 O=C1CCCC2=C(C=CC=C2)N1 CS10012 [0,0,1,1,0,0|2,0,0]=4 167 B13R2.163 O=C1COCC2=C(C=CC=C2)N1 MC431588 [0,0,1,1,0,0|1,0,0]=3 168 B13R2.2091 CC1=C2C(C=O)=CNC2=CC=C1 CS22973 [0,0,1,1,0,0|2,0,0]=4 169 B13R2.328 CN1CC(=O)NC2=CC=CC=C21 MC107481 [1,0,0,0,0,1|1,0,0]=3 170 B13R2.328 NC1=CC(=O)NC2=CC=CC=C12 CS22591 [1,0,0,0,0,1|2,0,0]=4 171 B13R2.328 O=C1C=C(O)C2=NC=CC=C2N1 CS17474 [1,0,0,0,0,1|2,0,0]=4 172 B13R2.328 O=C1NC(=O)C2=CC=CC=C2N1 CS10996 [1,0,0,0,0,1|1,0,1]=4 173 B13R2.328 O=C1NC2=C(C=CC=C2)C(=O)O1 CS11507 [1,0,0,0,0,1|1,0,1]=4