0 B9R1.35 CC(=O)C1=CC(C)=NN1 4060854 [0,0,0,0,0,0|3,0,0]=3 1 B9R1.35 CC(=O)C1=CC=C(Br)O1 3765393 [0,0,0,0,0,0|4,0,0]=4 2 B9R1.35 CC(=O)C1=NNC(C)=C1 4060868 [0,0,0,0,0,0|3,0,0]=3 3 B9R1.35 CC1=CC(C(=O)O)=NN1 1055332 [0,0,0,0,0,0|2,0,0]=2 4 B9R1.35 CC1=CC(C(=O)O)=NO1 1055331 [0,0,0,0,0,0|1,1,0]=2 5 B9R1.35 CC1=CC(C(=O)O)=NS1 4058296 [0,0,0,0,0,0|1,0,0]=1 6 B9R1.35 CC1=CC(C(C)O)=NO1 11165059 [0,0,0,0,0,0|2,1,1]=4 7 B9R1.35 CC1=CC=C(C(=O)O)O1 2215003 [0,0,0,0,0,0|2,0,0]=2 8 B9R1.35 CC1=NC(C(C)N)=CS1 7020617603 [0,0,0,0,0,0|3,0,1]=4 9 B9R1.35 CC1=NC=C(C(=O)O)S1 1118927 [0,0,0,0,0,0|2,0,0]=2 10 B9R1.35 CN1C=C(C(=O)O)N=N1 1287395 [0,0,0,0,0,0|3,0,0]=3 11 B9R1.35 CN1C=CC(C(=O)O)=N1 3488437 [0,0,0,0,0,0|3,0,0]=3 12 B9R1.35 NC1=NC(C(=O)O)=CS1 2217365 [0,0,0,0,0,0|2,0,0]=2 13 B9R1.35 NC1=NC(C(=O)O)=NN1 5679207 [0,0,0,0,0,0|4,0,0]=4 14 B9R1.35 NC1=NN=C(C(=O)O)N1 2216455 [0,0,0,0,0,0|4,0,0]=4 15 B9R1.35 NC1=NNC(C(=O)O)=N1 4811068 [0,0,0,0,0,0|4,0,0]=4 16 B9R1.35 O=C(O)C1=CC(Cl)=CS1 3488431 [0,0,0,0,0,0|3,0,0]=3 17 B9R1.35 O=C(O)C1=CC(O)=NN1 6062886 [0,0,0,0,0,0|3,0,0]=3 18 B9R1.35 O=C(O)C1=CC=C(Br)O1 0125160212 [0,0,0,0,0,0|3,0,0]=3 19 B9R1.35 O=C(O)C1=CC=C(Cl)S1 1313196 [0,0,0,0,0,0|3,0,0]=3 20 B9R1.35 O=C(O)C1=CN=C(Br)S1 3488498 [0,0,0,0,0,0|3,0,0]=3 21 B9R1.35 O=C(O)C1=CSC(Br)=N1 1977957 [0,0,0,0,0,0|2,0,0]=2 22 B9R1.35 O=C(O)C1=CSC(Cl)=N1 4813546 [0,0,0,0,0,0|2,0,0]=2 23 B8R1.1 CC1=CC=C(C=O)N1 3354275 [1,0,0,0,0,0|2,0,0]=3 24 B8R1.1 CC1=NC(CCl)=CS1 1060355 [1,0,0,0,0,0|2,0,1]=4 25 B8R1.1 CC1=NC(CN)=CS1 7020617634 [1,0,0,0,0,0|2,0,1]=4 26 B8R1.1 CN1C=C(C=O)C=N1 1366342 [1,0,0,0,0,0|2,0,0]=3 27 B8R1.1 CN1C=C(CO)C=N1 2125365 [1,0,0,0,0,0|2,0,1]=4 28 B8R1.1 O=CC1=CC=C(Cl)O1 1218908 [1,0,0,0,0,0|3,0,0]=4 29 B8R1.1 O=CC1=CC=C(I)O1 7110951013 [1,0,0,0,0,0|3,0,0]=4 30 B8R1.7 C1=NC(C(=O)O)=CS1 1088027 [1,0,0,0,0,0|1,0,0]=2 31 B8R1.7 CC(=O)C1=CC=CO1 1778595 [1,0,0,0,0,0|3,0,0]=4 32 B8R1.7 CC(=O)C1=CC=CS1 14605036 [1,0,0,0,0,0|3,0,0]=4 33 B8R1.7 CC(=O)C1=CN=CS1 2422437 [1,0,0,0,0,0|3,0,0]=4 34 B8R1.7 N=C(N)C1=CSC=C1 22588249 [1,0,0,0,0,0|2,0,0]=3 35 B8R1.7 N=C(N)C1=CSC=N1 11186678 [1,0,0,0,0,0|3,0,0]=4 36 B8R1.7 NC(=O)C1=CSC=N1 2422477 [1,0,0,0,0,0|2,0,0]=3 37 B8R1.7 O=C(Cl)C1=CC=CO1 1051704 [1,0,0,0,0,0|3,0,0]=4 38 B8R1.7 O=C(Cl)C1=CC=CS1 1051705 [1,0,0,0,0,0|3,0,0]=4 39 B8R1.7 O=C(O)C1=CC=CN1 2825772 [1,0,0,0,0,0|2,0,0]=3 40 B8R1.7 O=C(O)C1=CC=CO1 2825796 [1,0,0,0,0,0|2,0,0]=3 41 B8R1.7 O=C(O)C1=CC=CS1 1509751 [1,0,0,0,0,0|2,0,0]=3 42 B8R1.7 O=C(O)C1=CN=CO1 3488494 [1,0,0,0,0,0|2,0,0]=3 43 B8R1.7 O=C(O)C1=COC=C1 2825797 [1,0,0,0,0,0|0,1,0]=2 44 B8R1.7 O=C(O)C1=CSC=N1 2225865 [1,0,0,0,0,0|1,0,0]=2 45 B8R1.7 O=C(O)C1=CSN=N1 3665882 [1,0,0,0,0,0|2,0,0]=3 46 B8R1.7 O=C(O)C1=NNC=C1 2128182 [1,0,0,0,0,0|2,0,0]=3 47 B8R1.7 O=C(O)C1=NON=C1 5970752 [1,0,0,0,0,0|2,1,0]=4 48 B10R1.14 CC1=CC=C(\C(N)=N\O)S1 4772544 [0,1,0,0,0,0|3,0,0]=4 49 B10R1.14 COC(=O)C1=CC=C(Br)O1 7214930010 [0,1,0,0,0,0|3,0,0]=4 50 B10R1.14 COC(=O)C1=NNC(C)=C1 2422976 [0,1,0,0,0,0|2,0,0]=3 51 B10R1.14 COC(=O)C1=NSC(N)=N1 6089475 [0,1,0,0,0,0|3,0,0]=4 52 B10R1.31 CNC1=NC(C(C)=O)=CS1 3515747 [0,1,0,0,0,0|2,0,0]=3 53 B10R1.31 N#CC1=CC=C(C(=O)O)O1 1284654 [0,1,0,0,0,0|2,0,1]=4 54 B10R1.31 NCC1=NC(C(=O)O)=CS1 1059777 [0,1,0,0,0,0|1,0,0]=2 55 B10R1.31 O=CC1=CC=C(C(=O)O)O1 1888489 [0,1,0,0,0,0|2,0,1]=4 56 B10R1.31 O=CC1=CNC(C(=O)O)=C1 3666900 [0,1,0,0,0,0|2,0,1]=4 57 B10R1.58 CC1=C(Br)C=C(C(=O)O)O1 6316515 [0,1,0,0,0,0|2,0,0]=3 58 B10R1.58 CC1=CC(C(=O)O)=NN1C 1055333 [0,1,0,0,0,0|2,0,0]=3 59 B10R1.58 O=C(O)C1=CC(Br)=C(Br)S1 7014211646 [0,1,0,0,0,0|3,0,0]=4 60 B10R1.59 CC(=O)C1=C(C)C=C(C)O1 3354795 [0,1,0,0,0,0|3,0,0]=4 61 B10R1.59 CC(=O)C1=C(C)N=C(C)S1 1902257 [0,1,0,0,0,0|3,0,0]=4 62 B10R1.59 CC(=O)C1=C(C)N=C(C)S1 7020366369 [0,1,0,0,0,0|3,0,0]=4 63 B10R1.59 CC(=O)C1=CC(C)=NN1C 3807874 [0,1,0,0,0,0|3,0,0]=4 64 B10R1.59 CC1=C(C(=O)O)N=C(Cl)S1 6936767 [0,1,0,0,0,0|2,0,0]=3 65 B10R1.59 CC1=C(C(=O)O)SC(=O)N1 1317179 [0,1,0,0,0,0|3,0,0]=4 66 B10R1.59 CC1=C(C(=O)O)SC(Cl)=N1 1056682 [0,1,0,0,0,0|3,0,0]=4 67 B10R1.59 CC1=C(C(=O)O)SC(N)=N1 1333490 [0,1,0,0,0,0|3,0,0]=4 68 B10R1.59 CC1=CC(C(N)=O)=C(N)S1 1863641 [0,1,0,0,0,0|1,0,0]=2 69 B10R1.59 CC1=NC(C(=O)O)=C(C)S1 1090399 [0,1,0,0,0,0|1,0,0]=2 70 B10R1.59 CC1=NC(C)=C(C(=O)O)O1 7118560799 [0,1,0,0,0,0|2,0,0]=3 71 B10R1.59 CC1=NC(C)=C(C(=O)O)S1 7020230036 [0,1,0,0,0,0|2,0,0]=3 72 B10R1.59 CC1=NN(C)C(C(=O)O)=C1 3515246 [0,1,0,0,0,0|2,0,0]=3 73 B10R1.59 CC1=NN(C)C=C1C(=O)O 2215029 [0,1,0,0,0,0|2,0,0]=3 74 B10R1.59 CN1C=C(C(=O)O)C(Br)=N1 5730913 [0,1,0,0,0,0|2,0,0]=3 75 B10R1.194 CC1=C(C)C(C(=O)O)=CS1 1210043 [0,1,0,0,0,0|0,0,0]=1 76 B10R1.194 CN1C(C(=O)O)=CN=C1N 1521840 [0,1,0,0,0,0|3,0,0]=4 77 B10R1.194 CN1N=CC(C(=O)O)=C1N 1157374 [0,1,0,0,0,0|2,0,0]=3 78 B8R0.23 C=C(CC(=O)O)C(=O)O 2826658 [0,0,1,0,0,0|1,1,1]=4 79 B10R1.13 CC(=O)C1=CC=C(Br)C=C1 1043807 [0,0,0,0,0,1|3,0,0]=4 80 B10R1.13 CC(=O)C1=CC=C(C)C=C1 1043798 [0,0,0,0,0,1|2,0,0]=3 81 B10R1.13 CC(=O)C1=CC=C(Cl)C=C1 1043806 [0,0,0,0,0,1|3,0,0]=4 82 B10R1.13 CC(=O)C1=CC=C(F)C=C1 1043805 [0,0,0,0,0,1|3,0,0]=4 83 B10R1.13 CC(=O)C1=CC=C(N)C=C1 7119850616 [0,0,0,0,0,1|3,0,0]=4 84 B10R1.13 CC(=O)C1=CC=C(O)C=C1 1778865 [0,0,0,0,0,1|3,0,0]=4 85 B10R1.13 CC1=CC=C(C(=O)Cl)C=C1 1051709 [0,0,0,0,0,1|2,0,0]=3 86 B10R1.13 CC1=CC=C(C(=O)O)C=C1 7119561590 [0,0,0,0,0,1|1,0,0]=2 87 B10R1.13 CC1=CC=C(C(C)O)C=C1 1366658 [0,0,0,0,0,1|2,0,1]=4 88 B10R1.13 CC1=CC=C(C(N)=O)C=C1 1106851 [0,0,0,0,0,1|2,0,0]=3 89 B10R1.13 CC1=CC=C(C(N)=S)C=C1 7020331312 [0,0,0,0,0,1|2,1,0]=4 90 B10R1.13 CC1=CC=C(C(N)=S)N=C1 5031441 [0,0,0,0,0,1|2,1,0]=4 91 B10R1.13 CC1=CC=C(S(=O)[O-])C=C1 2839025 [0,0,0,0,0,1|2,0,1]=4 92 B10R1.13 CC1=CC=C([N+](=O)[O-])C=C1 2827170 [0,0,0,0,0,1|2,0,1]=4 93 B10R1.13 CC1=CC=C([N+](=O)[O-])C=N1 6051754 [0,0,0,0,0,1|2,0,1]=4 94 B10R1.13 CC1=CC=C([SH](=O)=O)C=C1 22430375 [0,0,0,0,0,1|2,0,1]=4 95 B10R1.13 CC1=NC=C(C(=O)O)C=C1 19767694 [0,0,0,0,0,1|1,0,0]=2 96 B10R1.13 CC1=NC=C(C(=O)O)N=C1 2827230 [0,0,0,0,0,1|1,0,0]=2 97 B10R1.13 CC1=NC=C(C(N)=O)C=C1 2827093 [0,0,0,0,0,1|2,0,0]=3 98 B10R1.13 CC1=NC=C(C(N)=O)N=C1 2827177 [0,0,0,0,0,1|2,0,0]=3 99 B10R1.13 NC(=O)C1=CC=C(Br)C=C1 1375914 [0,0,0,0,0,1|3,0,0]=4 100 B10R1.13 NC(=O)C1=CC=C(Cl)C=C1 1375258 [0,0,0,0,0,1|3,0,0]=4 101 B10R1.13 NC(=O)C1=CC=C(F)C=C1 1375215 [0,0,0,0,0,1|3,0,0]=4 102 B10R1.13 NC(=O)C1=CC=C(I)C=C1 1445657 [0,0,0,0,0,1|3,0,0]=4 103 B10R1.13 NC(=O)C1=CC=C(N)C=C1 1375210 [0,0,0,0,0,1|3,0,0]=4 104 B10R1.13 NC(=O)C1=CC=C(O)C=C1 1375211 [0,0,0,0,0,1|3,0,0]=4 105 B10R1.13 NC1=CC=C(C(=O)O)C=C1 1509951 [0,0,0,0,0,1|2,0,0]=3 106 B10R1.13 O=C(Cl)C1=CC=C(Cl)C=C1 1051742 [0,0,0,0,0,1|3,0,0]=4 107 B10R1.13 O=C(Cl)C1=CC=C(F)C=C1 1051712 [0,0,0,0,0,1|3,0,0]=4 108 B10R1.13 O=C(O)C1=CC=C(Br)C=C1 1312865 [0,0,0,0,0,1|2,0,0]=3 109 B10R1.13 O=C(O)C1=CC=C(Cl)C=C1 1312854 [0,0,0,0,0,1|2,0,0]=3 110 B10R1.13 O=C(O)C1=CC=C(F)C=C1 1506397 [0,0,0,0,0,1|2,0,0]=3 111 B10R1.13 O=C(O)C1=CC=C(I)C=C1 3054307 [0,0,0,0,0,1|2,0,0]=3 112 B10R1.13 O=C(O)C1=CC=C(O)C=C1 1195424 [0,0,0,0,0,1|2,0,0]=3 113 B10R1.13 O=C(O)C1=CC=C(S)C=C1 2829768 [0,0,0,0,0,1|2,0,0]=3 114 B10R1.13 O=C(O)C1=CC=N(=O)C=C1 12405061 [0,0,0,0,0,1|3,0,0]=4 115 B10R1.13 O=C(O)C1=CN=C(Cl)C=C1 2830995 [0,0,0,0,0,1|2,0,0]=3 116 B10R1.13 O=C(O)C1=CN=C(O)C=C1 5970174 [0,0,0,0,0,1|2,0,0]=3 117 B10R1.13 O=C(O)C1=NC=C(Br)N=C1 4015292 [0,0,0,0,0,1|2,0,0]=3 118 B10R1.13 O=C(O)C1=NC=C(O)C=C1 3354843 [0,0,0,0,0,1|2,0,0]=3 119 B10R1.13 O=C(O)C1=NC=C(O)N=C1 5010111 [0,0,0,0,0,1|2,0,0]=3 120 B10R1.13 O=C(O)C1=NN=C(Cl)C=C1 3458596 [0,0,0,0,0,1|3,0,0]=4 121 B10R1.13 O=C1C=CC(C(=O)O)=CN1 1313836 [0,0,0,0,0,1|2,0,0]=3 122 B10R1.13 O=C1C=CC(C(=O)O)=NN1 7020410148 [0,0,0,0,0,1|3,0,0]=4 123 B10R1.54 CC(=O)NC1=NOC(C)=C1 7113213850 [0,0,0,0,0,1|2,1,0]=4 124 B10R1.54 CC1=CC=C(CC(=O)O)O1 2251842 [0,0,0,0,0,1|2,0,0]=3 125 B10R1.54 CC1=NC(CC(=O)O)=CO1 1973108 [0,0,0,0,0,1|1,1,0]=3 126 B10R1.54 CC1=NC(CC(=O)O)=CS1 1088062 [0,0,0,0,0,1|1,0,0]=2 127 B10R1.54 CC1=NC(CC(=O)O)=NO1 1191258 [0,0,0,0,0,1|2,1,0]=4 128 B10R1.54 CC1=NN=C(CC(=O)O)O1 1137028 [0,0,0,0,0,1|3,0,0]=4 129 B10R1.54 CC1=NN=C(CC(=O)O)S1 3670782 [0,0,0,0,0,1|3,0,0]=4 130 B10R1.54 NC1=NC(CC(=O)O)=CS1 1333489 [0,0,0,0,0,1|2,0,0]=3 131 B10R1.54 O=C(O)CC1=CC=C(Br)S1 19767649 [0,0,0,0,0,1|3,0,0]=4 132 B10R1.113 CC(=O)C1=CC(Br)=CC=C1 1287349 [0,0,0,0,0,1|3,0,0]=4 133 B10R1.113 CC(=O)C1=CC(Cl)=CC=C1 1287348 [0,0,0,0,0,1|3,0,0]=4 134 B10R1.113 CC(=O)C1=CC(N)=CC=C1 1366640 [0,0,0,0,0,1|3,0,0]=4 135 B10R1.113 CC(=O)C1=CC=CC(O)=C1 1901859 [0,0,0,0,0,1|3,0,0]=4 136 B10R1.113 CC1=CC(C(=O)O)=CN=C1 2818253 [0,0,0,0,0,1|1,0,0]=2 137 B10R1.113 CC1=CC([N+](=O)[O-])=CC=C1 2827171 [0,0,0,0,0,1|2,0,1]=4 138 B10R1.113 CC1=CC=CC(C(=N)N)=C1 5012379 [0,0,0,0,0,1|3,0,0]=4 139 B10R1.113 CC1=CC=CC(C(=O)Cl)=C1 1051708 [0,0,0,0,0,1|2,0,0]=3 140 B10R1.113 CC1=CC=CC(C(=O)O)=C1 1901858 [0,0,0,0,0,1|1,0,0]=2 141 B10R1.113 CC1=CC=CC(C(=O)O)=N1 2214917 [0,0,0,0,0,1|2,0,0]=3 142 B10R1.113 CC1=CC=CC(C(N)=O)=C1 1375208 [0,0,0,0,0,1|2,0,0]=3 143 B10R1.113 CC1=NC=CC(C(=O)O)=C1 3666565 [0,0,0,0,0,1|1,0,0]=2 144 B10R1.113 NC(=O)C1=CC(Cl)=CC=C1 1375257 [0,0,0,0,0,1|3,0,0]=4 145 B10R1.113 NC1=CC=CC(C(=O)O)=C1 2827166 [0,0,0,0,0,1|2,0,0]=3 146 B10R1.113 NC1=CN=CC(C(=O)O)=C1 7017520056 [0,0,0,0,0,1|2,0,0]=3 147 B10R1.113 NC1=NC(C(=O)O)=CC=C1 1218791 [0,0,0,0,0,1|3,0,0]=4 148 B10R1.113 NC1=NC=CC(C(=O)O)=C1 2214529 [0,0,0,0,0,1|2,0,0]=3 149 B10R1.113 O=C(Cl)C1=CC=CC(Br)=C1 1051714 [0,0,0,0,0,1|3,0,0]=4 150 B10R1.113 O=C(Cl)C1=CC=CC(Cl)=C1 1051741 [0,0,0,0,0,1|3,0,0]=4 151 B10R1.113 O=C(Cl)C1=CC=CC(F)=C1 1051711 [0,0,0,0,0,1|3,0,0]=4 152 B10R1.113 O=C(Cl)C1=NC=NC(Cl)=C1 7154126 [0,0,0,0,0,1|3,0,0]=4 153 B10R1.113 O=C(O)C1=CC(=S)NC=C1 13577371 [0,0,0,0,0,1|2,0,0]=3 154 B10R1.113 O=C(O)C1=CC(Cl)=CC=C1 973807 [0,0,0,0,0,1|2,0,0]=3 155 B10R1.113 O=C(O)C1=CC(Cl)=NC=C1 2214915 [0,0,0,0,0,1|2,0,0]=3 156 B10R1.113 O=C(O)C1=CC(Cl)=NC=N1 3508030 [0,0,0,0,0,1|2,0,0]=3 157 B10R1.113 O=C(O)C1=CC(F)=CC=C1 1901891 [0,0,0,0,0,1|2,0,0]=3 158 B10R1.113 O=C(O)C1=CC(O)=NC=C1 2223344 [0,0,0,0,0,1|2,0,0]=3 159 B10R1.113 O=C(O)C1=CC(S)=NC=C1 2223361 [0,0,0,0,0,1|2,0,0]=3 160 B10R1.113 O=C(O)C1=CC=CC(Br)=C1 1906408 [0,0,0,0,0,1|2,0,0]=3 161 B10R1.113 O=C(O)C1=CC=CC(O)=C1 2827221 [0,0,0,0,0,1|2,0,0]=3 162 B10R1.113 O=C(O)C1=CN=CC(Br)=C1 0109160011 [0,0,0,0,0,1|2,0,0]=3 163 B10R1.113 O=C(O)C1=NC(Cl)=CC=C1 5110090024 [0,0,0,0,0,1|3,0,0]=4 164 B10R1.113 O=C(O)C1=NC=CC(Br)=C1 7017520050 [0,0,0,0,0,1|2,0,0]=3 165 B10R1.113 O=C(O)C1=NC=CC(O)=C1 7017520047 [0,0,0,0,0,1|2,0,0]=3 166 B10R1.113 O=C1C=C(C(=O)O)N=CN1 3508017 [0,0,0,0,0,1|2,0,0]=3 167 B7R0.4 C\C=C\C=C\C(=O)O 5810252 [1,0,1,0,0,0|1,0,0]=3 168 B7R0.6 NC(=O)\C=C/C(=O)O 8653754 [1,0,1,0,0,0|1,1,0]=4 169 B7R0.6 O=C(O)\C=C/C(=O)O 6057163 [1,0,1,0,0,0|1,1,0]=4 170 B7R1.1 N#CC1=CSC=C1 2825739 [2,0,0,0,0,0|1,0,1]=4 171 B7R1.1 O=CC1=CC=CN1 7020420392 [2,0,0,0,0,0|2,0,0]=4 172 B7R1.1 O=CC1=CC=CO1 988493 [2,0,0,0,0,0|2,0,0]=4 173 B7R1.1 O=CC1=CC=CS1 2048717 [2,0,0,0,0,0|2,0,0]=4 174 B7R1.1 O=CC1=CN=CN1 22430527 [2,0,0,0,0,0|2,0,0]=4 175 B7R1.1 O=CC1=CSC=C1 22430573 [2,0,0,0,0,0|0,0,0]=2 176 B7R1.1 OCC1=COC=C1 2816728 [2,0,0,0,0,0|0,1,1]=4 177 B7R1.2 CC1=CC(=O)CC1 2825479 [2,0,0,0,0,0|1,0,1]=4 178 B7R1.2 CC1=CSC(Br)=C1 4043755 [2,0,0,0,0,0|1,0,1]=4 179 B7R1.2 CC1=NNC(O)=C1 7118292268 [2,0,0,0,0,0|2,0,0]=4 180 B7R1.2 O=C1NC(O)=CS1 9078850 [2,0,0,0,0,0|2,0,0]=4 181 B9R1.22 CC1=NN(C)C=C1C=O 2817382 [1,1,0,0,0,0|2,0,0]=4 182 B9R1.132 CC1=C(C)C(CN)=CS1 1210101 [1,1,0,0,0,0|1,0,1]=4 183 B9R1.11 COC(=O)C1=CC=CN1 6300636 [1,1,0,0,0,0|2,0,0]=4 184 B9R1.11 COC(=O)C1=CC=CO1 2826302 [1,1,0,0,0,0|2,0,0]=4 185 B9R1.11 COC(=O)C1=CC=NO1 6902354 [1,1,0,0,0,0|2,0,0]=4 186 B9R1.11 O=C(CO)C1=CC=CO1 2826306 [1,1,0,0,0,0|2,0,0]=4 187 B9R1.41 CC1=C(C(=O)O)C=NN1 1218391 [1,1,0,0,0,0|2,0,0]=4 188 B9R1.41 CC1=C(C(=O)O)OC=N1 1972995 [1,1,0,0,0,0|2,0,0]=4 189 B9R1.41 CC1=C(C(=O)O)SC=C1 2084328 [1,1,0,0,0,0|2,0,0]=4 190 B9R1.41 CN1N=CC=C1C(=O)O 3665402 [1,1,0,0,0,0|2,0,0]=4 191 B11R1.3 CCC1=CC=C(C(=O)O)C=C1 7018912388 [0,1,0,0,0,1|1,0,0]=3 192 B11R1.3 CCC1=CC=C(C(C)=O)C=C1 1043799 [0,1,0,0,0,1|2,0,0]=4 193 B11R1.3 CNC1=CC=C(C(=O)O)C=C1 1866367 [0,1,0,0,0,1|1,0,0]=3 194 B11R1.3 COC1=CC=C(C(=O)Cl)C=C1 1051718 [0,1,0,0,0,1|2,0,0]=4 195 B11R1.3 COC1=CC=C(C(=O)O)C=C1 1779304 [0,1,0,0,0,1|1,0,0]=3 196 B11R1.3 COC1=CC=C(C(C)=O)C=C1 1043808 [0,1,0,0,0,1|2,0,0]=4 197 B11R1.3 N#CC1=CC=C(C(=O)O)C=C1 2828771 [0,1,0,0,0,1|1,0,1]=4 198 B11R1.3 N#CC1=NC=C(C(=O)O)C=C1 5752165 [0,1,0,0,0,1|1,0,1]=4 199 B11R1.3 NCC1=CC=C(C(=O)O)C=C1 2829211 [0,1,0,0,0,1|1,0,0]=3 200 B11R1.3 NCC1=CC=C(C(N)=O)C=C1 1198652 [0,1,0,0,0,1|2,0,0]=4 201 B11R1.3 NCC1=CC=C(C(N)=O)C=C1 6057544 [0,1,0,0,0,1|2,0,0]=4 202 B11R1.3 O=CC1=CC=C(C(=O)O)C=C1 7018801956 [0,1,0,0,0,1|1,0,1]=4 203 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 22430619 [0,1,0,0,0,1|2,0,0]=4 204 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 2845160 [0,1,0,0,0,1|2,0,0]=4 205 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 6927010 [0,1,0,0,0,1|2,0,0]=4 206 B11R1.21 CC(=O)C1=CC(C)=C(C)C=C1 1043802 [0,1,0,0,0,1|2,0,0]=4 207 B11R1.21 CC(=O)C1=CC=C(C)C(N)=C1 1366797 [0,1,0,0,0,1|2,0,0]=4 208 B11R1.21 CC1=C(I)C=C(C(N)=O)C=C1 7214930347 [0,1,0,0,0,1|2,0,0]=4 209 B11R1.21 CC1=C(N)C=C(C(=O)O)C=C1 1509557 [0,1,0,0,0,1|1,0,0]=3 210 B11R1.21 CC1=CC=C(C(=O)Cl)C=C1C 1051721 [0,1,0,0,0,1|2,0,0]=4 211 B11R1.21 CC1=CC=C(C(=O)O)C=C1C 1312864 [0,1,0,0,0,1|1,0,0]=3 212 B11R1.21 CC1=CC=C(C(=O)O)C=C1Cl 1902916 [0,1,0,0,0,1|1,0,0]=3 213 B11R1.21 NC1=C(F)C=CC(C(=O)O)=C1 6850842 [0,1,0,0,0,1|2,0,0]=4 214 B11R1.21 NC1=CC(C(=O)O)=CC=C1O 1392631 [0,1,0,0,0,1|2,0,0]=4 215 B11R1.21 NC1=CC=C(C(=O)O)C=C1N 1509978 [0,1,0,0,0,1|2,0,0]=4 216 B11R1.21 NC1=CC=C(C(=O)O)C=C1O 1514172 [0,1,0,0,0,1|2,0,0]=4 217 B11R1.21 O=C(O)C1=CC(Br)=C(Cl)C=C1 3337432 [0,1,0,0,0,1|2,0,0]=4 218 B11R1.21 O=C(O)C1=CC(Br)=C(F)C=C1 1312846 [0,1,0,0,0,1|2,0,0]=4 219 B11R1.21 O=C(O)C1=CC(Cl)=C(Cl)C=C1 1051719 [0,1,0,0,0,1|2,0,0]=4 220 B11R1.21 O=C(O)C1=CC=C(F)C(F)=C1 1902328 [0,1,0,0,0,1|2,0,0]=4 221 B11R1.22 CC1=CC=C(C(=O)CBr)C=C1 3026336 [0,1,0,0,0,1|2,0,0]=4 222 B11R1.22 CC1=CC=C(C(=O)NN)C=C1 0109160035 [0,1,0,0,0,1|2,0,0]=4 223 B11R1.22 CC1=CC=C(\C(N)=N\O)C=C1 2829097 [0,1,0,0,0,1|2,0,0]=4 224 B11R1.22 CCC(=O)C1=CC=C(C)C=C1 1043817 [0,1,0,0,0,1|2,0,0]=4 225 B11R1.22 COC(=O)C1=CC=C(C)C=C1 2084121 [0,1,0,0,0,1|1,0,0]=3 226 B11R1.22 COC(=O)C1=CC=C(F)C=C1 2084250 [0,1,0,0,0,1|2,0,0]=4 227 B11R1.22 COC(=O)C1=CC=C(N)C=C1 974407 [0,1,0,0,0,1|2,0,0]=4 228 B11R1.22 COC(=O)C1=CC=C(O)C=C1 1310956 [0,1,0,0,0,1|2,0,0]=4 229 B11R1.22 COC(=O)C1=CC=C(S)C=C1 6137666 [0,1,0,0,0,1|2,0,0]=4 230 B11R1.22 COC(=O)C1=CN=C(N)C=C1 3354042 [0,1,0,0,0,1|2,0,0]=4 231 B11R1.22 COC(=O)C1=NC=C(Br)N=C1 6594998 [0,1,0,0,0,1|2,0,0]=4 232 B11R1.22 COC(=O)C1=NC=C(C)N=C1 2829323 [0,1,0,0,0,1|1,0,0]=3 233 B11R1.22 COC(=O)C1=NC=C(O)N=C1 6051767 [0,1,0,0,0,1|2,0,0]=4 234 B11R1.22 O=C(CO)C1=CC=C(F)C=C1 2829713 [0,1,0,0,0,1|2,0,0]=4 235 B11R1.166 CC(=O)C1=C(C)N=C(C)N=C1 2820032 [0,1,0,0,0,1|2,0,0]=4 236 B11R1.166 CC(=O)C1=CC=C(C)C=C1C 1500425 [0,1,0,0,0,1|2,0,0]=4 237 B11R1.166 CC1=CC(C)=C(C(=O)O)C=C1 1506467 [0,1,0,0,0,1|1,0,0]=3 238 B11R1.166 NC1=C(C(=O)O)C=CC(F)=C1 2829972 [0,1,0,0,0,1|2,0,0]=4 239 B11R1.166 NC1=CC(Cl)=C(C(=O)O)C=C1 2835821 [0,1,0,0,0,1|2,0,0]=4 240 B11R1.166 NC1=CC(O)=C(C(=O)O)C=C1 2829520 [0,1,0,0,0,1|2,0,0]=4 241 B11R1.166 O=C(O)C1=C(O)C=C(O)C=C1 2829700 [0,1,0,0,0,1|2,0,0]=4 242 B11R1.166 O=C(O)C1=CC=C(Cl)C=C1Cl 1506213 [0,1,0,0,0,1|2,0,0]=4 243 B11R1.166 O=C(O)C1=CC=C(F)C=C1F 1902327 [0,1,0,0,0,1|2,0,0]=4 244 B11R1.76 CC1=NC(CS(=O)(=O)O)=CS1 7010510 [0,1,0,0,0,1|2,0,0]=4 245 B11R1.645 CC1=NN(C)C(CC(=O)O)=C1 15298775 [0,1,0,0,0,1|2,0,0]=4 246 B11R1.23 CC1=CC=CC(C(=O)NN)=C1 7119846921 [0,1,0,0,0,1|2,0,0]=4 247 B11R1.23 COC(=O)C1=CC(N)=CC=C1 1232820 [0,1,0,0,0,1|2,0,0]=4 248 B11R1.23 COC(=O)C1=CC(N)=CC=C1 1311369 [0,1,0,0,0,1|2,0,0]=4 249 B11R1.23 COC(=O)C1=CC(N)=NC=C1 3669271 [0,1,0,0,0,1|2,0,0]=4 250 B11R1.23 COC(=O)C1=CC(O)=NC=C1 7135552 [0,1,0,0,0,1|2,0,0]=4 251 B11R1.23 COC(=O)C1=CC=CC(O)=C1 971220 [0,1,0,0,0,1|2,0,0]=4 252 B11R1.23 O=C(OO)C1=CC(Cl)=CC=C1 2845888 [0,1,0,0,0,1|2,0,0]=4 253 B11R1.74 CC1=CC(C)=CC(C(=O)O)=C1 1902121 [0,1,0,0,0,1|1,0,0]=3 254 B11R1.74 CC1=CC(C)=NC(C(=O)O)=C1 7110952569 [0,1,0,0,0,1|1,0,0]=3 255 B11R1.74 CC1=NC(C(=O)O)=CC(=O)N1 2103915 [0,1,0,0,0,1|2,0,0]=4 256 B11R1.74 O=C(O)C1=CC(Br)=CC(Cl)=C1 3337431 [0,1,0,0,0,1|2,0,0]=4 257 B11R1.74 O=C(O)C1=CC(Cl)=CC(Cl)=C1 1904807 [0,1,0,0,0,1|2,0,0]=4 258 B11R1.74 O=C(O)C1=CC(F)=CC(Br)=C1 3353956 [0,1,0,0,0,1|2,0,0]=4 259 B11R1.74 O=C(O)C1=CC(O)=CC(O)=C1 3585944 [0,1,0,0,0,1|2,0,0]=4 260 B11R1.74 O=C(O)C1=CC(O)=NC(O)=C1 2213754 [0,1,0,0,0,1|2,0,0]=4 261 B11R1.74 O=C1C=C(C(=O)O)NC(=O)N1 2846777 [0,1,0,0,0,1|2,0,0]=4 262 B11R1.159 CC1=C(O)C(C(=O)O)=CC=C1 22430485 [0,1,0,0,0,1|1,0,0]=3 263 B11R1.159 CN1C=CC=C(C(=O)O)C1=O 1902184 [0,1,0,0,0,1|2,0,0]=4 264 B11R1.159 NC1=C(Br)C=CC=C1C(=O)O 2215353 [0,1,0,0,0,1|2,0,0]=4 265 B11R1.159 NC1=C(C(=O)O)C=CC=C1Cl 1218749 [0,1,0,0,0,1|2,0,0]=4 266 B11R1.159 NC1=C(F)C=CC=C1C(=O)O 2215103 [0,1,0,0,0,1|2,0,0]=4 267 B11R1.159 NC1=C(N)C(C(=O)O)=CC=C1 3669272 [0,1,0,0,0,1|2,0,0]=4 268 B11R1.159 O=C(O)C1=CC=CC(Br)=C1Cl 3701420 [0,1,0,0,0,1|2,0,0]=4 269 B11R1.159 O=C(O)C1=CC=CC(Br)=C1F 5031684 [0,1,0,0,0,1|2,0,0]=4 270 B11R1.159 O=C(O)C1=CC=CC(F)=C1Br 5827095 [0,1,0,0,0,1|2,0,0]=4 271 B11R1.167 CC(=O)C1=C(O)C=CC(C)=C1 7013941401 [0,1,0,0,0,1|2,0,0]=4 272 B11R1.167 CC(=O)C1=CC(C)=CC=C1C 1043803 [0,1,0,0,0,1|2,0,0]=4 273 B11R1.167 CC1=CC(C(=O)O)=C(C)C=C1 7019091163 [0,1,0,0,0,1|1,0,0]=3 274 B11R1.167 CC1=CC=C(Br)C(C(=O)O)=C1 1312863 [0,1,0,0,0,1|1,0,0]=3 275 B11R1.167 CC1=CC=C(N)C(C(=O)O)=C1 7719100016 [0,1,0,0,0,1|1,0,0]=3 276 B11R1.167 CC1=NN=C(O)C(C(=O)O)=C1 5679531 [0,1,0,0,0,1|1,0,0]=3 277 B11R1.167 NC1=C(C(=O)O)C=C(Br)C=C1 1220686 [0,1,0,0,0,1|2,0,0]=4 278 B11R1.167 NC1=C(C(=O)O)C=C(Cl)C=C1 7020040772 [0,1,0,0,0,1|2,0,0]=4 279 B11R1.167 NC1=CC=C(Cl)C(C(=O)O)=C1 2845077 [0,1,0,0,0,1|2,0,0]=4 280 B11R1.167 NC1=CC=C(I)C=C1C(=O)O 1232805 [0,1,0,0,0,1|2,0,0]=4 281 B11R1.167 NC1=CC=C(O)C(C(=O)O)=C1 2829513 [0,1,0,0,0,1|2,0,0]=4 282 B11R1.167 O=C(O)C1=C(F)C=CC(F)=C1 2831007 [0,1,0,0,0,1|2,0,0]=4 283 B11R1.167 O=C(O)C1=C(O)C=CC(Br)=C1 3015489 [0,1,0,0,0,1|2,0,0]=4 284 B11R1.167 O=C(O)C1=C(O)C=CC(Cl)=C1 2845887 [0,1,0,0,0,1|2,0,0]=4 285 B11R1.167 O=C(O)C1=CC(Br)=CC=C1Cl 3064193 [0,1,0,0,0,1|2,0,0]=4 286 B11R1.167 O=C(O)C1=CC(Cl)=CC=C1Cl 1312862 [0,1,0,0,0,1|2,0,0]=4 287 B11R1.167 O=C(O)C1=CC(O)=NC=C1Br 22430302 [0,1,0,0,0,1|2,0,0]=4 288 B11R1.167 O=C1C=C(C(=O)O)C(Br)=CN1 3988942 [0,1,0,0,0,1|2,0,0]=4 289 B11R1.266 COC1=CC(C(=O)Cl)=CC=C1 1051717 [0,1,0,0,0,1|2,0,0]=4 290 B11R1.266 COC1=CC=CC(C(=O)O)=C1 0109160003 [0,1,0,0,0,1|1,0,0]=3 291 B11R1.266 COC1=CC=CC(C(C)=O)=C1 1505979 [0,1,0,0,0,1|2,0,0]=4 292 B11R1.266 COC1=CC=CC(C(N)=O)=C1 1375244 [0,1,0,0,0,1|2,0,0]=4 293 B11R1.266 N#CC1=CC=CC(C(=O)O)=C1 2828770 [0,1,0,0,0,1|1,0,1]=4 294 B11R1.266 NCC1=CC=CC(C(=O)O)=C1 6871428 [0,1,0,0,0,1|1,0,0]=3 295 B11R1.266 NCC1=NC=CC(C(=O)O)=C1 4056490 [0,1,0,0,0,1|1,0,0]=3 296 B11R1.266 O=C(O)C1=CC=CC(CBr)=C1 1232689 [0,1,0,0,0,1|1,0,0]=3 297 B11R1.15 CCOC(=O)C1=CC(C)=NN1 2820553 [0,2,0,0,0,0|2,0,0]=4 298 B11R1.15 CCOC(=O)C1=CSC(N)=N1 1261718 [0,2,0,0,0,0|2,0,0]=4 299 B11R1.44 COC(=O)C1=CC=C(CCl)O1 7118560750 [0,2,0,0,0,0|2,0,0]=4 300 B11R1.44 COC(=O)C1=CSC(CN)=N1 1060103 [0,2,0,0,0,0|1,0,0]=3 301 B11R1.225 COC(=O)C1=C(N)SC(C)=C1 7210741807 [0,2,0,0,0,0|0,0,0]=2 302 B11R1.225 COC(=O)C1=C(O)C=C(C)S1 7211130001 [0,2,0,0,0,0|2,0,0]=4 303 B11R1.226 COC(=O)C1=NN(C)C(C)=C1 2424338 [0,2,0,0,0,0|2,0,0]=4 304 B11R1.50 CC1=C(C(=O)O)SC(CN)=N1 1060119 [0,2,0,0,0,0|2,0,0]=4 305 B11R1.50 CC1=C(C(=O)O)SC(CO)=N1 4855882 [0,2,0,0,0,0|2,0,0]=4 306 B11R1.50 CCC1=CC(C(=O)O)=C(N)S1 1901316 [0,2,0,0,0,0|0,0,0]=2 307 B11R1.50 CCC1=CC(C(N)=O)=C(N)S1 1863636 [0,2,0,0,0,0|1,0,0]=3 308 B11R1.50 CCN1C=C(C(=O)O)C(C)=N1 2240296 [0,2,0,0,0,0|2,0,0]=4 309 B11R1.124 CCOC1=CC(C(=O)O)=NN1 5566746 [0,2,0,0,0,0|2,0,0]=4 310 B11R1.124 COCC1=NC=C(C(=O)O)S1 2137932 [0,2,0,0,0,0|2,0,0]=4 311 B11R1.124 NCCC1=NC(C(=O)O)=CS1 1059779 [0,2,0,0,0,0|1,0,0]=3 312 B11R1.175 CC(=O)C1=CC=C(C(=O)O)N1 7011716 [0,2,0,0,0,0|2,0,0]=4 313 B11R1.175 CC(=O)C1=CNC(C(=O)O)=C1 2229874 [0,2,0,0,0,0|2,0,0]=4 314 B11R1.175 CC(C)C1=CC(C(=O)O)=NN1 1055380 [0,2,0,0,0,0|2,0,0]=4 315 B11R1.175 CC(C)C1=NNC(C(=O)O)=C1 1566226 [0,2,0,0,0,0|2,0,0]=4 316 B11R1.175 CC(N)C1=NC(C(=O)O)=CS1 1059778 [0,2,0,0,0,0|1,0,0]=3 317 B11R1.473 CCN1N=CC(C(=O)O)=C1C 2240297 [0,2,0,0,0,0|2,0,0]=4 318 B11R1.473 COC1=NNC(C(=O)O)=C1Cl 6082987 [0,2,0,0,0,0|2,0,0]=4 319 B11R1.49 CCC1=C(C(=O)O)N=C(Cl)S1 6945987 [0,2,0,0,0,0|2,0,0]=4 320 B11R1.49 CCC1=C(C(=O)O)SC(C)=N1 1780528 [0,2,0,0,0,0|2,0,0]=4 321 B11R1.673 CC(=O)C1=C(C)NC(C)=C1C 3355213 [0,2,0,0,0,0|2,0,0]=4 322 B11R1.673 CC1=C(C)C(C(N)=O)=C(N)S1 0127442976 [0,2,0,0,0,0|1,0,0]=3 323 B11R1.673 CC1=NN(C)C(Br)=C1C(=O)O 3986460 [0,2,0,0,0,0|2,0,0]=4 324 B9R1.6 O=C(O)C1=CC=CC=C1 1778690 [0,0,1,1,0,0|1,0,1]=4 325 B9R1.6 O=C(O)C1=CC=CN=C1 2084332 [0,0,1,1,0,0|1,0,1]=4 326 B7R0.16 C=C(C(=O)O)C(C)C 3354367 [0,0,1,0,1,0|1,0,1]=4 327 B9R1.2 CC1=CC=CC(C=O)=C1 1901706 [1,0,0,0,0,1|1,0,0]=3 328 B9R1.2 O=CC1=CC(Br)=CC=C1 1904103 [1,0,0,0,0,1|2,0,0]=4 329 B9R1.2 O=CC1=CC(O)=CC=C1 2826165 [1,0,0,0,0,1|2,0,0]=4 330 B9R1.2 O=CC1=CC=CC(Cl)=C1 1901924 [1,0,0,0,0,1|2,0,0]=4 331 B9R1.2 O=CC1=CC=CC(F)=C1 1901720 [1,0,0,0,0,1|2,0,0]=4 332 B9R1.13 C1=NC(CC(=O)O)=CS1 1088061 [1,0,0,0,0,1|1,0,0]=3 333 B9R1.13 O=C(O)CC1=CC=CO1 1287105 [1,0,0,0,0,1|2,0,0]=4 334 B9R1.13 O=C(O)CC1=CC=CS1 1287112 [1,0,0,0,0,1|2,0,0]=4 335 B9R1.13 O=C(O)CC1=CC=NN1 4060640 [1,0,0,0,0,1|2,0,0]=4 336 B9R1.13 O=C(O)CC1=NNC=C1 4060632 [1,0,0,0,0,1|2,0,0]=4 337 B11R1.20 CC1=CC=C(CC(=O)O)C=C1 7020330563 [0,0,0,0,0,2|1,0,0]=3 338 B11R1.20 NC1=CC=C(CC(=O)O)C=C1 1509952 [0,0,0,0,0,2|2,0,0]=4 339 B11R1.20 O=C(O)CC1=CC=C(Br)C=C1 1287087 [0,0,0,0,0,2|2,0,0]=4 340 B11R1.20 O=C(O)CC1=CC=C(Cl)C=C1 1113743 [0,0,0,0,0,2|2,0,0]=4 341 B11R1.20 O=C(O)CC1=CC=C(F)C=C1 7020330564 [0,0,0,0,0,2|2,0,0]=4 342 B11R1.20 O=C(O)CC1=CC=C(O)C=C1 2630838 [0,0,0,0,0,2|2,0,0]=4 343 B11R1.75 CC1=NC(CCC(=O)O)=CS1 1780529 [0,0,0,0,0,2|1,0,0]=3 344 B11R1.75 NC1=NC(CCC(=O)O)=CS1 1780608 [0,0,0,0,0,2|2,0,0]=4 345 B11R1.157 CC(=O)CC1=CC(C)=CC=C1 1056056 [0,0,0,0,0,2|2,0,0]=4 346 B11R1.157 CC(=O)NC1=CC(C)=CC=C1 14049612 [0,0,0,0,0,2|2,0,0]=4 347 B11R1.157 CC1=CC=CC(CC(=O)O)=C1 1287089 [0,0,0,0,0,2|1,0,0]=3 348 B11R1.157 O=C(O)CC1=CC(F)=CC=C1 2024108 [0,0,0,0,0,2|2,0,0]=4 349 B11R1.157 O=C(O)CC1=CC(O)=NC=C1 11186508 [0,0,0,0,0,2|2,0,0]=4