0 B10R1.59 Brc1sc(c(c1)C(=O)O)Br PI-35047 [0,0,0,0,0,0|3,1,0]=4 1 B10R1.59 C1=C(SC(=C1C(=O)Cl)Cl)Cl PI-26753 [0,0,0,0,0,0|3,1,0]=4 2 B10R1.59 CC1=C(OC(=C1)Br)C(=O)O PI-49746 [0,0,0,0,0,0|4,0,0]=4 3 B10R1.59 CC1=C(SC(=N1)C)C(=O)O PI-21993 [0,0,0,0,0,0|3,0,0]=3 4 B10R1.59 CC1=C(SC(=N1)N)C(=O)C PI-26047 [0,0,0,0,0,0|3,0,0]=3 5 B10R1.59 CC1=CC(=C(N1)C(=O)O)C PI-31903 [0,0,0,0,0,0|3,0,0]=3 6 B10R1.59 CC1=CC(=C(N1)C)C(=O)O PI-29708 [0,0,0,0,0,0|2,0,0]=2 7 B10R1.59 CC1=CC(=C(O1)C)C(=O)C PI-26051 [0,0,0,0,0,0|0,0,0]=0 8 B10R1.59 CC1=CC(=C(O1)C)C(=O)Cl PI-23851 [0,0,0,0,0,0|1,0,0]=1 9 B10R1.59 CC1=CC(=NN1C(=O)N)C PI-13605 [0,0,0,0,0,0|4,0,0]=4 10 B10R1.59 CC1=NN(C(=C1)C(=O)Cl)C PI-21981 [0,0,0,0,0,0|3,0,0]=3 11 B10R1.59 CC1=NN(C(=C1)C(=O)N)C PI-21983 [0,0,0,0,0,0|3,0,0]=3 12 B10R1.59 CC1=NN(C(=C1)C(=O)O)C PI-21984 [0,0,0,0,0,0|3,0,0]=3 13 B10R1.59 CC1=NN(C=C1[N+](=O)[O-])C PI-48338 [0,0,0,0,0,0|4,0,0]=4 14 B10R1.59 Cc1nc(c(s1)C(=O)C)C PI-11114 [0,0,0,0,0,0|2,0,0]=2 15 B10R1.59 Cc1sc(c(c1)C(=O)O)C PI-29415 [0,0,0,0,0,0|1,1,0]=2 16 B10R1.59 Clc1sc(Cl)c(c1)C(=O)C PI-21085 [0,0,0,0,0,0|2,1,0]=3 17 B10R1.59 Clc1sc(c(c1)C(=O)O)Cl PI-18502 [0,0,0,0,0,0|3,1,0]=4 18 B9R1.22 CC1=C(SC(=N1)C)C=O PI-45390 [1,0,0,0,0,0|2,0,0]=3 19 B9R1.22 CC1=CC(=C(S1)C)C=O PI-29416 [1,0,0,0,0,0|0,1,0]=2 20 B9R1.22 CC1=NN(C(=C1)C=O)C PI-21982 [1,0,0,0,0,0|2,0,0]=3 21 B9R1.22 CC1=NN(C(=C1)NC)C PI-46493 [1,0,0,0,0,0|3,0,0]=4 22 B9R1.22 O=Cc1[nH]c(cc1C)C PI-21987 [1,0,0,0,0,0|2,0,0]=3 23 B9R1.22 O=Cc1cn(nc1C)C PI-38563 [1,0,0,0,0,0|2,0,0]=3 24 B9R1.35 Brc1scc(c1)C(=O)O PI-35044 [1,0,0,0,0,0|2,1,0]=4 25 B9R1.35 C1=C(SC(=N1)C)C(=O)O PI-36606 [1,0,0,0,0,0|3,0,0]=4 26 B9R1.35 C1=C(SC=C1C(=O)N)Br PI-44107 [1,0,0,0,0,0|2,1,0]=4 27 B9R1.35 CC(=O)C1=CC(Br)=CS1 PI-29021 [1,0,0,0,0,0|3,0,0]=4 28 B9R1.35 CC(=O)C1=CC=C(S1)Br PI-16279 [1,0,0,0,0,0|3,0,0]=4 29 B9R1.35 CC(=O)C1=CC=C(S1)I PI-26551 [1,0,0,0,0,0|3,0,0]=4 30 B9R1.35 CC(=O)c1c[nH]c(C)n1 PI-36304 [1,0,0,0,0,0|2,0,0]=3 31 B9R1.35 CC(=O)c1cc(cs1)Cl PI-38201 [1,0,0,0,0,0|3,0,0]=4 32 B9R1.35 CC(C1=CN=C(N)S1)=O PI-46739 [1,0,0,0,0,0|3,0,0]=4 33 B9R1.35 CC1=CC=C(O1)C(=O)Cl PI-19122 [1,0,0,0,0,0|3,0,0]=4 34 B9R1.35 CC1=CC=C(O1)C(=O)O PI-17727 [1,0,0,0,0,0|3,0,0]=4 35 B9R1.35 CC1=CC=C(S1)C(=O)C PI-27153 [1,0,0,0,0,0|2,0,0]=3 36 B9R1.35 CC1=CC=C(S1)C(=O)O PI-11163 [1,0,0,0,0,0|3,0,0]=4 37 B9R1.35 CC1=CSC(=C1)C(=O)O PI-29136 [1,0,0,0,0,0|3,0,0]=4 38 B9R1.35 Cc1cc(no1)C(=O)O PI-36872 [1,0,0,0,0,0|2,0,0]=3 39 B9R1.35 Cc1nc(co1)C(=O)O PI-38605 [1,0,0,0,0,0|2,0,0]=3 40 B9R1.35 O=C(C1=CSC(Cl)=C1)O PI-46668 [1,0,0,0,0,0|2,1,0]=4 41 B9R1.35 OC(=O)c1c[nH]c(C)c1 PI-36150 [1,0,0,0,0,0|2,0,0]=3 42 B9R1.41 CC(=O)C1=C(C=CS1)N PI-26559 [1,0,0,0,0,0|3,0,0]=4 43 B9R1.41 CC(=O)C1=CC=CN1C PI-12067 [1,0,0,0,0,0|2,0,0]=3 44 B9R1.41 CC1=C(C=CO1)C(=O)Cl PI-19717 [1,0,0,0,0,0|1,0,0]=2 45 B9R1.41 CC1=C(C=NO1)C(=O)Cl PI-42959 [1,0,0,0,0,0|2,0,0]=3 46 B9R1.41 CC1=C(C=NO1)C(=O)O PI-10238 [1,0,0,0,0,0|2,0,0]=3 47 B9R1.41 CC1=C(OC=C1)C(=O)O PI-17475 [1,0,0,0,0,0|3,0,0]=4 48 B9R1.41 CC1=C(SC=C1)C(=O)C PI-35069 [1,0,0,0,0,0|2,0,0]=3 49 B9R1.41 CC1=C(SC=C1)C(=O)Cl PI-11936 [1,0,0,0,0,0|3,0,0]=4 50 B9R1.41 CC1=C(SC=C1)C(=O)N PI-29912 [1,0,0,0,0,0|3,0,0]=4 51 B9R1.41 CC1=C(SC=C1)C(=O)O PI-11161 [1,0,0,0,0,0|3,0,0]=4 52 B9R1.41 CC1=C(SC=N1)C(=O)O PI-11138 [1,0,0,0,0,0|3,0,0]=4 53 B9R1.41 O=C(C1=C(Br)SC=C1)O PI-41655 [1,0,0,0,0,0|2,1,0]=4 54 B9R1.41 O=C(C1=C(N)SC=C1)N PI-37067 [1,0,0,0,0,0|2,1,0]=4 55 B11R1.49 CCN1C(=CC(=N1)C)C(=O)O PI-29644 [0,1,0,0,0,0|3,0,0]=4 56 B11R1.225 CC1=C(SC(=N1)N)C(=O)OC PI-11142 [0,1,0,0,0,0|3,0,0]=4 57 B11R1.225 CC1=CC(=C(N1)C)C(=O)OC PI-30859 [0,1,0,0,0,0|1,0,0]=2 58 B11R1.225 COC(=O)C1=C(SC(=C1)Cl)Cl PI-26139 [0,1,0,0,0,0|2,1,0]=4 59 B11R1.225 O=C(C1=C(Br)SC(Br)=C1)OC PI-46783 [0,1,0,0,0,0|2,1,0]=4 60 B11R1.673 CC1=NN(C(=C1Br)C(=O)O)C PI-21400 [0,1,0,0,0,0|3,0,0]=4 61 B9R0.48 CCOC(=O)C=CC(=O)O PI-47111 [0,0,1,0,0,0|2,0,1]=4 62 B11R1.74 CC(=O)C1=CC(=CC(=C1)Br)Br PI-40368 [0,0,0,0,0,1|3,0,0]=4 63 B11R1.74 CC(=O)C1=CC(=CC(=C1)Cl)Cl PI-29140 [0,0,0,0,0,1|3,0,0]=4 64 B11R1.74 CC(C1=CC(F)=CC(F)=C1)=O PI-16883 [0,0,0,0,0,1|3,0,0]=4 65 B11R1.74 CC(C1=CC(O)=CC(O)=C1)=O PI-11032 [0,0,0,0,0,1|3,0,0]=4 66 B11R1.74 CC1=CC(=CC(=C1)N(C)C)C PI-27629 [0,0,0,0,0,1|3,0,0]=4 67 B11R1.74 CC1=CC(=CC(=N1)Cl)C(=O)Cl PI-20177 [0,0,0,0,0,1|3,0,0]=4 68 B11R1.74 CC1=CC(=CC(=N1)Cl)C(=O)O PI-49440 [0,0,0,0,0,1|3,0,0]=4 69 B11R1.74 Cc1cc(C)cc(c1)C(=O)C PI-30691 [0,0,0,0,0,1|1,0,0]=2 70 B11R1.74 Cc1cc(C)cc(c1)C(=O)O PI-31207 [0,0,0,0,0,1|2,0,0]=3 71 B11R1.74 Cc1cc(C)cc(c1)[N+](=O)[O-] PI-34009 [0,0,0,0,0,1|3,0,0]=4 72 B11R1.74 Cc1cc(F)cc(c1)C(=O)O PI-34459 [0,0,0,0,0,1|3,0,0]=4 73 B11R1.74 Cc1cc(O)cc(c1)C(=O)O PI-39027 [0,0,0,0,0,1|3,0,0]=4 74 B11R1.166 Brc1ccc(C(=O)C)c(F)c1 PI-30799 [0,0,0,0,0,1|3,0,0]=4 75 B11R1.166 CC(=O)C1=C(C)N=C(C)C=N1 PI-11037 [0,0,0,0,0,1|1,0,0]=2 76 B11R1.166 CC(=O)C1=C(C=C(C=C1)Br)O PI-43291 [0,0,0,0,0,1|3,0,0]=4 77 B11R1.166 CC(=O)C1=C(C=C(C=C1)Cl)Br PI-20599 [0,0,0,0,0,1|3,0,0]=4 78 B11R1.166 CC(=O)C1=C(C=C(C=C1)Cl)Cl PI-33128 [0,0,0,0,0,1|3,0,0]=4 79 B11R1.166 CC(=O)C1=C(C=C(C=C1)Cl)O PI-30853 [0,0,0,0,0,1|3,0,0]=4 80 B11R1.166 CC(=O)C1=C(C=C(C=C1)F)Br PI-14425 [0,0,0,0,0,1|3,0,0]=4 81 B11R1.166 CC(=O)C1=C(C=C(C=C1)F)Cl PI-28768 [0,0,0,0,0,1|3,0,0]=4 82 B11R1.166 CC(=O)C1=C(C=C(C=C1)F)F PI-16939 [0,0,0,0,0,1|3,0,0]=4 83 B11R1.166 CC(=O)C1=C(C=C(C=C1)N)O PI-42987 [0,0,0,0,0,1|3,0,0]=4 84 B11R1.166 CC(=O)C1=C(C=C(C=C1)O)Cl PI-12994 [0,0,0,0,0,1|3,0,0]=4 85 B11R1.166 CC(=O)C1=C(C=C(C=C1)O)F PI-16148 [0,0,0,0,0,1|3,0,0]=4 86 B11R1.166 CC(=O)C1=C(C=C(C=C1)O)N PI-30973 [0,0,0,0,0,1|3,0,0]=4 87 B11R1.166 CC(=O)C1=CNC(=O)NC1=O PI-12020 [0,0,0,0,0,1|3,0,0]=4 88 B11R1.166 CC(C1=CC=C(F)C=C1O)=O PI-23585 [0,0,0,0,0,1|3,0,0]=4 89 B11R1.166 CC1=C(C=CC(=C1)Br)C(=O)Cl PI-39384 [0,0,0,0,0,1|3,0,0]=4 90 B11R1.166 CC1=C(C=CC(=C1)F)C(=O)O PI-10190 [0,0,0,0,0,1|3,0,0]=4 91 B11R1.166 CC1=C(C=CC(=C1)O)C(=O)C PI-12264 [0,0,0,0,0,1|2,0,0]=3 92 B11R1.166 CC1=CC(=C(C=C1)C(=O)C)C PI-11718 [0,0,0,0,0,1|1,0,0]=2 93 B11R1.166 CC1=CC(=C(C=C1)C(=O)N)O PI-28583 [0,0,0,0,0,1|3,0,0]=4 94 B11R1.166 CC1=CC(=C(C=C1)C(=O)O)C PI-16114 [0,0,0,0,0,1|2,0,0]=3 95 B11R1.166 CC1=CC(=C(C=C1)C(=O)O)F PI-18894 [0,0,0,0,0,1|3,0,0]=4 96 B11R1.166 CC1=CC(=C(C=C1)C(=O)O)O PI-15312 [0,0,0,0,0,1|3,0,0]=4 97 B11R1.166 CC1=CC(=O)C(=CN1)C(=O)O PI-13132 [0,0,0,0,0,1|3,0,0]=4 98 B11R1.166 CC1=CC=C(C(=O)N1)C(=O)O PI-18513 [0,0,0,0,0,1|3,0,0]=4 99 B11R1.166 CC1=NC(=NC=C1C(=O)C)N PI-14033 [0,0,0,0,0,1|2,0,0]=3 100 B11R1.166 Cc1ccc(C(=O)O)c(Cl)n1 PI-16720 [0,0,0,0,0,1|3,0,0]=4 101 B11R1.166 Cc1ccc(c(c1)Br)C(=O)O PI-22123 [0,0,0,0,0,1|3,0,0]=4 102 B11R1.166 Cc1ccc(c(c1)N)C(=O)N PI-30565 [0,0,0,0,0,1|3,0,0]=4 103 B11R1.166 Cc1ccc(c(c1)N)C(=O)O PI-34285 [0,0,0,0,0,1|3,0,0]=4 104 B11R1.166 Cc1ccc(c(c1)O)C(=O)C PI-29847 [0,0,0,0,0,1|2,0,0]=3 105 B11R1.166 Ic1ccc(c(c1)O)C(=O)C PI-30931 [0,0,0,0,0,1|3,0,0]=4 106 B11R1.166 Nc1ccc(c(c1)C)C(=O)O PI-38300 [0,0,0,0,0,1|3,0,0]=4 107 B11R1.166 O=C(O)C1=C(C)N=C(C)C=C1 PI-37311 [0,0,0,0,0,1|2,0,0]=3 108 B11R1.166 Oc1ccc(C(=O)C)c(O)c1 PI-15410 [0,0,0,0,0,1|3,0,0]=4 109 B11R1.167 Brc1ccc(c(c1)C(=O)Cl)C PI-39383 [0,0,0,0,0,1|3,0,0]=4 110 B11R1.167 CC(=O)C1=C(C=CC(=C1)Br)F PI-40483 [0,0,0,0,0,1|3,0,0]=4 111 B11R1.167 CC(=O)C1=C(C=CC(=C1)Br)N PI-50076 [0,0,0,0,0,1|3,0,0]=4 112 B11R1.167 CC(=O)C1=C(C=CC(=C1)Br)O PI-15407 [0,0,0,0,0,1|3,0,0]=4 113 B11R1.167 CC(=O)C1=C(C=CC(=C1)Cl)O PI-11257 [0,0,0,0,0,1|3,0,0]=4 114 B11R1.167 CC(=O)C1=C(C=CC(=C1)F)F PI-28256 [0,0,0,0,0,1|3,0,0]=4 115 B11R1.167 CC(=O)C1=C(C=CC(=C1)F)O PI-16161 [0,0,0,0,0,1|3,0,0]=4 116 B11R1.167 CC(=O)C1=C(C=CC(=C1)N)Cl PI-31000 [0,0,0,0,0,1|3,0,0]=4 117 B11R1.167 CC(=O)C1=C(N=CC(=C1)Br)F PI-48367 [0,0,0,0,0,1|3,0,0]=4 118 B11R1.167 CC(C1=CC(F)=CC=C1I)=O PI-41210 [0,0,0,0,0,1|3,0,0]=4 119 B11R1.167 CC(C1=CC(F)=CC=C1N)=O PI-46722 [0,0,0,0,0,1|3,0,0]=4 120 B11R1.167 CC1=C(C=C(C=C1)Br)C(=O)O PI-31513 [0,0,0,0,0,1|3,0,0]=4 121 B11R1.167 CC1=C(C=C(C=C1)F)C(=O)Cl PI-23751 [0,0,0,0,0,1|3,0,0]=4 122 B11R1.167 CC1=C(C=C(C=C1)F)C(=O)N PI-23733 [0,0,0,0,0,1|3,0,0]=4 123 B11R1.167 CC1=C(C=C(C=C1)I)C(=O)O PI-35497 [0,0,0,0,0,1|3,0,0]=4 124 B11R1.167 CC1=CC(=C(C=C1)Br)C(=O)O PI-22124 [0,0,0,0,0,1|3,0,0]=4 125 B11R1.167 CC1=CC(=C(C=C1)C)C(=O)C PI-23365 [0,0,0,0,0,1|1,0,0]=2 126 B11R1.167 CC1=CC(=C(C=C1)C)C(=O)O PI-16116 [0,0,0,0,0,1|2,0,0]=3 127 B11R1.167 CC1=CC(=C(C=C1)C)[N+](=O)[O-] PI-13194 [0,0,0,0,0,1|3,0,0]=4 128 B11R1.167 CC1=CC(=C(C=C1)Cl)C(=O)O PI-44945 [0,0,0,0,0,1|3,0,0]=4 129 B11R1.167 CC1=CC(=C(C=C1)F)C(=O)C PI-30627 [0,0,0,0,0,1|2,0,0]=3 130 B11R1.167 CC1=CC(=C(C=C1)F)C(=O)O PI-10194 [0,0,0,0,0,1|3,0,0]=4 131 B11R1.167 CC1=CC(=C(C=C1)I)C(=O)O PI-44708 [0,0,0,0,0,1|3,0,0]=4 132 B11R1.167 CC1=CC(=C(C=C1)N)C(=O)N PI-11516 [0,0,0,0,0,1|3,0,0]=4 133 B11R1.167 CC1=CC(=C(C=C1)O)C(=O)C PI-16152 [0,0,0,0,0,1|2,0,0]=3 134 B11R1.167 CC1=CC(=C(C=C1)O)C(=O)N PI-32434 [0,0,0,0,0,1|3,0,0]=4 135 B11R1.167 CC1=CC(=C(C=C1)O)C(=O)O PI-12037 [0,0,0,0,0,1|3,0,0]=4 136 B11R1.167 Cc1ccc(c(c1)C(=O)O)I PI-44956 [0,0,0,0,0,1|3,0,0]=4 137 B11R1.167 Cc1ccc(c(c1)C(=O)O)N PI-11791 [0,0,0,0,0,1|3,0,0]=4 138 B11R1.167 Clc1ccc(c(c1)C(=O)C)Cl PI-11720 [0,0,0,0,0,1|3,0,0]=4 139 B11R1.167 Fc1ccc(Cl)c(c1)C(=O)C PI-29442 [0,0,0,0,0,1|3,0,0]=4 140 B11R1.167 Fc1ccc(c(c1)C(=O)O)C PI-16069 [0,0,0,0,0,1|3,0,0]=4 141 B11R1.167 Oc1ccc(O)c(c1)C(=O)C PI-31206 [0,0,0,0,0,1|3,0,0]=4 142 B11R1.645 CC1=C(N=C(S1)C)CC(=O)O PI-21995 [0,0,0,0,0,1|2,1,0]=4 143 B8R0.1 CCOC(=O)C=CC=O PI-40874 [1,0,1,0,0,0|1,0,1]=4 144 B8R0.28 CC(=C\C=C\C(=O)C)C PI-48754 [1,0,1,0,0,0|1,0,1]=4 145 B8R1.1 CC1=CC=C(O1)C=O PI-44598 [2,0,0,0,0,0|2,0,0]=4 146 B8R1.1 CC1=CSC(=C1)C=O PI-29744 [2,0,0,0,0,0|2,0,0]=4 147 B8R1.1 CC1=NC(=CS1)C=O PI-39568 [2,0,0,0,0,0|1,1,0]=4 148 B8R1.1 Cc1ccc(C=O)s1 PI-10821 [2,0,0,0,0,0|2,0,0]=4 149 B8R1.1 O=CC1=CN=C(C)S1 PI-39711 [2,0,0,0,0,0|2,0,0]=4 150 B8R1.1 O=Cc1cnn(c1)C PI-33835 [2,0,0,0,0,0|2,0,0]=4 151 B8R1.11 CC1=C(C=CO1)SC PI-14230 [2,0,0,0,0,0|1,0,0]=3 152 B8R1.11 CC1=C(N=CN1)C=O PI-45102 [2,0,0,0,0,0|2,0,0]=4 153 B8R1.11 CC1=C(SC=C1)C=O PI-10802 [2,0,0,0,0,0|2,0,0]=4 154 B8R1.11 CN1C=CC=C1C=O PI-33707 [2,0,0,0,0,0|2,0,0]=4 155 B8R1.11 Cc1ncsc1C=O PI-11136 [2,0,0,0,0,0|2,0,0]=4 156 B8R1.18 CC1=C(OC(=O)O1)C PI-11457 [2,0,0,0,0,0|2,0,0]=4 157 B8R1.18 CC1=C(SC(=N1)C)C PI-11116 [2,0,0,0,0,0|1,1,0]=4 158 B8R1.18 CC1=CC(=C(O1)C)S PI-48469 [2,0,0,0,0,0|0,1,0]=3 159 B8R1.18 CC1=CC(=C(S1)C)C PI-29262 [2,0,0,0,0,0|0,1,0]=3 160 B8R1.18 CC1=CC(=O)N(N1)C PI-33909 [2,0,0,0,0,0|2,0,0]=4 161 B8R1.18 CC1C(=O)C=C(O1)C PI-27174 [2,0,0,0,0,0|0,0,1]=3 162 B8R1.18 Cc1cc(n(n1)C)C PI-37586 [2,0,0,0,0,0|2,0,0]=4 163 B8R1.7 C1=C(C=NO1)C(=O)O PI-14897 [2,0,0,0,0,0|2,0,0]=4 164 B8R1.7 C1=CNC=C1C(=O)O PI-34087 [2,0,0,0,0,0|2,0,0]=4 165 B8R1.7 C1=CNC=C1C(=O)O PI-48299 [2,0,0,0,0,0|2,0,0]=4 166 B8R1.7 C1=COC=C1C(=N)N PI-19708 [2,0,0,0,0,0|2,0,0]=4 167 B8R1.7 C1=COC=C1C(=O)Cl PI-46981 [2,0,0,0,0,0|1,0,0]=3 168 B8R1.7 C1=COC=C1C(=O)O PI-16502 [2,0,0,0,0,0|1,0,0]=3 169 B8R1.7 C1=COC=C1C(=S)N PI-19750 [2,0,0,0,0,0|1,1,0]=4 170 B8R1.7 C1=CON=C1C(=O)O PI-48871 [2,0,0,0,0,0|2,0,0]=4 171 B8R1.7 CC(=O)C1=CC=CN1 PI-12083 [2,0,0,0,0,0|2,0,0]=4 172 B8R1.7 CC(=O)C1=CC=NN1 PI-44747 [2,0,0,0,0,0|2,0,0]=4 173 B8R1.7 CC(=O)C1=CN=CN1 PI-45218 [2,0,0,0,0,0|2,0,0]=4 174 B8R1.7 CC(=O)C1=CN=CN1 PI-45286 [2,0,0,0,0,0|2,0,0]=4 175 B8R1.7 CC(=O)c1cscc1 PI-16499 [2,0,0,0,0,0|0,1,0]=3 176 B8R1.7 CC(=O)n1cncc1 PI-31807 [2,0,0,0,0,0|2,0,0]=4 177 B8R1.7 ClC(=O)c1cscc1 PI-10762 [2,0,0,0,0,0|1,1,0]=4 178 B8R1.7 OC(=O)c1cocn1 PI-43182 [2,0,0,0,0,0|2,0,0]=4 179 B8R1.7 OC(=O)c1cscc1 PI-10764 [2,0,0,0,0,0|1,1,0]=4 180 B10R1.256 CC1C(=O)C(=C(O1)C)OC PI-14303 [1,1,0,0,0,0|1,0,1]=4 181 B10R1.256 O=Cc1c(C)nn(c1C)C PI-38561 [1,1,0,0,0,0|2,0,0]=4 182 B10R1.256 O=Cc1c(C)nn(c1Cl)C PI-38624 [1,1,0,0,0,0|2,0,0]=4 183 B10R1.14 CC1=CC=C(O1)C(=O)OC PI-19366 [1,1,0,0,0,0|2,0,0]=4 184 B10R1.14 CC1=NC(=CO1)C(=O)OC PI-48165 [1,1,0,0,0,0|1,0,0]=3 185 B10R1.14 CCC(=O)C1=CC=C(O1)C PI-17359 [1,1,0,0,0,0|2,0,0]=4 186 B10R1.14 COC(=O)c1ccc([nH]1)C PI-39271 [1,1,0,0,0,0|2,0,0]=4 187 B10R1.14 COC(=O)c1scc(C)c1 PI-24693 [1,1,0,0,0,0|2,0,0]=4 188 B10R1.14 O=C(C1=CSC(Br)=C1)OC PI-46727 [1,1,0,0,0,0|1,1,0]=4 189 B10R1.14 O=C(C1=CSC(C)=N1)OC PI-40824 [1,1,0,0,0,0|1,1,0]=4 190 B10R1.39 CCN1C=CC=C1C(=O)C PI-12064 [1,1,0,0,0,0|2,0,0]=4 191 B10R1.39 CSC1=C(C=CS1)C(=O)O PI-29871 [1,1,0,0,0,0|1,1,0]=4 192 B10R1.149 CC1=C(OC=C1)C(=O)OC PI-30773 [1,1,0,0,0,0|2,0,0]=4 193 B10R1.149 CC1=C(SC=C1)C(=O)OC PI-29927 [1,1,0,0,0,0|2,0,0]=4 194 B10R1.149 CC1=C(SC=N1)C(=O)OC PI-11143 [1,1,0,0,0,0|2,0,0]=4 195 B10R1.149 CN1C=CC=C1C(=O)OC PI-31682 [1,1,0,0,0,0|2,0,0]=4 196 B10R1.149 COC(=O)c1ccsc1N PI-15241 [1,1,0,0,0,0|1,1,0]=4 197 B10R1.149 O=C(C1=C(Br)SC=C1)OC PI-46673 [1,1,0,0,0,0|1,1,0]=4 198 B10R1.192 CC(=O)c1c(C)c[nH]c1C PI-26336 [1,1,0,0,0,0|1,0,0]=3 199 B10R1.192 ClC(=O)c1c(C)noc1C PI-39042 [1,1,0,0,0,0|2,0,0]=4 200 B10R1.192 OC(=O)c1c(C)noc1C PI-29396 [1,1,0,0,0,0|2,0,0]=4 201 B12R1.11 COc1cc(C)cc(c1)C(=O)O PI-36103 [0,1,0,0,0,1|2,0,0]=4 202 B12R1.358 CC1=NC(=CC(=C1)C(=O)OC)Cl PI-43952 [0,1,0,0,0,1|2,0,0]=4 203 B12R1.358 O=C(OC)C1=CC(C)=CC(N)=C1 PI-39679 [0,1,0,0,0,1|2,0,0]=4 204 B12R1.511 CC1=CC(=C(C(=C1)N)O)C(=O)C PI-15951 [0,1,0,0,0,1|2,0,0]=4 205 B12R1.511 Cc1cc(C)c(N)c(c1)C(=O)O PI-10077 [0,1,0,0,0,1|2,0,0]=4 206 B12R1.511 Cc1cc(C)c(c(c1)C(=O)C)O PI-23854 [0,1,0,0,0,1|1,0,0]=3 207 B12R1.511 Cc1cc(C)c(c(c1)C(=O)C)O PI-38914 [0,1,0,0,0,1|1,0,0]=3 208 B12R1.1005 CC1=CC(=CC(=C1Br)C)C(=O)N PI-12465 [0,1,0,0,0,1|2,0,0]=4 209 B12R1.1005 OC(=O)c1cc(C)c(c(c1)C)O PI-27630 [0,1,0,0,0,1|2,0,0]=4 210 B12R1.57 CC(=O)C1=C(C=C(C=C1)F)OC PI-27655 [0,1,0,0,0,1|2,0,0]=4 211 B12R1.57 COc1cc(C)ccc1C(=O)O PI-36551 [0,1,0,0,0,1|2,0,0]=4 212 B12R1.126 Cc1ccc(c(C)c1)S(=O)(=O)C PI-23934 [0,1,0,0,0,1|2,0,0]=4 213 B12R1.232 CC1=CC(=C(C=C1C)C(=O)O)C PI-27676 [0,1,0,0,0,1|2,0,0]=4 214 B12R1.232 CC1=CC(=C(C=C1C)O)C(=O)C PI-23855 [0,1,0,0,0,1|2,0,0]=4 215 B12R1.232 CC1=CC(=C(C=C1Cl)C(=O)C)O PI-30428 [0,1,0,0,0,1|2,0,0]=4 216 B12R1.232 O=C(O)C1=CC(N)=C(C)C=C1C PI-36846 [0,1,0,0,0,1|2,0,0]=4 217 B12R1.452 CC(=O)C1=C(C=C(C=C1)OC)F PI-12716 [0,1,0,0,0,1|2,0,0]=4 218 B12R1.452 CC(=O)C1=C(C=C(C=C1)OC)N PI-30608 [0,1,0,0,0,1|2,0,0]=4 219 B12R1.452 CC(=O)C1=C(C=C(C=C1)OC)O PI-11034 [0,1,0,0,0,1|2,0,0]=4 220 B12R1.1000 CC(=O)C1=C(C)C=C(C)C=C1C PI-29186 [0,1,0,0,0,1|1,0,0]=3 221 B12R1.1000 CC1=CC(=C(C(=C1)C)C(=O)O)C PI-31205 [0,1,0,0,0,1|2,0,0]=4 222 B12R1.1000 CC1=CC(=C(C(=O)O1)C(=O)C)O PI-15821 [0,1,0,0,0,1|1,0,0]=3 223 B12R1.1000 CC1=CC(=NC(=C1C(=O)N)N)C PI-14084 [0,1,0,0,0,1|2,0,0]=4 224 B12R1.1000 CC1=CC(=O)C(C(=O)O1)C(=O)C PI-15822 [0,1,0,0,0,1|1,0,1]=4 225 B12R1.1000 Cc1cc(C)c(C(=O)Cl)c(C)c1 PI-12137 [0,1,0,0,0,1|2,0,0]=4 226 B12R1.1703 CC1=C(C=CC(=C1)Cl)C(=O)OC PI-50465 [0,1,0,0,0,1|2,0,0]=4 227 B12R1.1703 CC1=C(C=CC(=C1)F)C(=O)OC PI-50475 [0,1,0,0,0,1|2,0,0]=4 228 B12R1.1703 CC1=CC(=C(C=C1)C(=O)CBr)C PI-29413 [0,1,0,0,0,1|1,0,0]=3 229 B12R1.1703 CC1=CC(=C(C=C1)C(=O)OC)O PI-28558 [0,1,0,0,0,1|2,0,0]=4 230 B12R1.1703 CC1=CC(=CN=C1C(=O)OC)Br PI-48295 [0,1,0,0,0,1|2,0,0]=4 231 B12R1.1703 NC1=CC(=C(C(=O)OC)C=C1)C PI-42589 [0,1,0,0,0,1|2,0,0]=4 232 B12R1.46 CC(=O)C1=C(C=CC(=C1)Cl)OC PI-30816 [0,1,0,0,0,1|2,0,0]=4 233 B12R1.46 CC(=O)C1=C(C=CC(=C1)F)OC PI-30626 [0,1,0,0,0,1|2,0,0]=4 234 B12R1.46 CC1=CC(=C(C=C1)OC)C(=O)O PI-31512 [0,1,0,0,0,1|2,0,0]=4 235 B12R1.46 COc1ccc(Br)cc1C(=O)C PI-21551 [0,1,0,0,0,1|2,0,0]=4 236 B12R1.354 CC1=C(C=C(C=C1)F)C(=O)OC PI-35260 [0,1,0,0,0,1|2,0,0]=4 237 B12R1.354 CC1=CC(=C(C=C1)O)C(=O)OC PI-28293 [0,1,0,0,0,1|2,0,0]=4 238 B12R1.354 CCC(=O)c1cc(C)ccc1O PI-20819 [0,1,0,0,0,1|2,0,0]=4 239 B12R1.354 Cc1ccc(N)cc1C(=O)OC PI-32080 [0,1,0,0,0,1|2,0,0]=4 240 B12R1.453 CCC1=CC(=C(C=C1)O)C(=O)C PI-29391 [0,1,0,0,0,1|2,0,0]=4 241 B12R1.453 COc1ccc(c(c1)C(=O)C)O PI-29865 [0,1,0,0,0,1|2,0,0]=4 242 B12R1.894 CC(C1=C(F)C=CC(C)=C1Cl)=O PI-40481 [0,1,0,0,0,1|2,0,0]=4 243 B12R1.894 CC1=C(C(=C(C=C1)C)C(=O)C)C PI-29682 [0,1,0,0,0,1|1,0,0]=3 244 B12R1.854 CC(=O)OC1=C(C)OC(C)C1=O PI-14301 [0,1,0,0,0,1|0,0,1]=3 245 B12R1.608 CCC1=CC(=C(S1)N)C(=O)OC PI-15915 [0,2,0,0,0,0|1,1,0]=4 246 B12R1.313 CC1=CC(=C(O1)C)C(=O)CC#N PI-21951 [0,2,0,0,0,0|0,0,0]=2 247 B12R1.313 CCOC(=O)C1=C(C=C(N1)C)C PI-23991 [0,2,0,0,0,0|2,0,0]=4 248 B12R1.313 CCOC(=O)C1=C(N=C(S1)C)C PI-29880 [0,2,0,0,0,0|2,0,0]=4 249 B12R1.313 O=C(C1=C(N)OC(C)=N1)OCC PI-41657 [0,2,0,0,0,0|2,0,0]=4 250 B12R1.313 O=C(C1=CC(C)=NN1C)OCC PI-22088 [0,2,0,0,0,0|2,0,0]=4 251 B12R1.3443 CC1=C(SC(=C1C(=O)OC)N)C PI-15882 [0,2,0,0,0,0|1,1,0]=4 252 B10R1.61 CC1=CC=CC=C1C(=O)C PI-12963 [0,0,1,1,0,0|1,0,1]=4 253 B10R1.113 CC1=CC(=CC=C1)C(=O)C PI-10859 [0,0,1,1,0,0|1,0,1]=4 254 B10R1.113 CC1=NC=CC(C(C)=O)=C1 PI-46770 [0,0,1,1,0,0|1,0,1]=4 255 B10R1.113 Oc1cccc(c1)C(=O)C PI-31363 [0,0,1,1,0,0|0,0,2]=4 256 B10R1.66 CC(=O)C=CC1=CC=CO1 PI-17492 [0,0,1,1,0,0|0,0,2]=4 257 B12R2.612 C1=C(Br)C=CC2=C1CCC2=O PI-21521 [0,0,0,1,0,1|2,0,0]=4 258 B12R2.612 C1CC(=O)C2=C1C=C(C=C2)F PI-16849 [0,0,0,1,0,1|2,0,0]=4 259 B12R2.612 C1CC(=O)C2=C1C=C(C=C2)I PI-32739 [0,0,0,1,0,1|2,0,0]=4 260 B12R2.612 Clc1ccc2C(=O)CCc2c1 PI-31195 [0,0,0,1,0,1|2,0,0]=4 261 B12R2.612 Nc1ccc2C(=O)CCc2c1 PI-14100 [0,0,0,1,0,1|2,0,0]=4 262 B12R2.612 O=C1CCC2=C1C=CC(C)=C2 PI-40563 [0,0,0,1,0,1|1,0,0]=3 263 B12R2.612 Oc1ccc2C(=O)CCc2c1 PI-11505 [0,0,0,1,0,1|2,0,0]=4 264 B12R2.132 Brc1ccc2CCC(=O)c2c1 PI-32742 [0,0,0,1,0,1|2,0,0]=4 265 B12R2.132 C1CC(=O)C2=C1C=CC(=C2)I PI-32743 [0,0,0,1,0,1|2,0,0]=4 266 B12R2.132 C1CC(=O)C2=C1C=CC(=C2)N PI-34587 [0,0,0,1,0,1|2,0,0]=4 267 B12R2.132 Clc1ccc2c(c1)C(=O)CC2 PI-32741 [0,0,0,1,0,1|2,0,0]=4 268 B12R2.132 Fc1ccc2c(c1)C(=O)CC2 PI-16850 [0,0,0,1,0,1|2,0,0]=4 269 B12R2.132 O=C1CCC2=C1C=C(O)C=C2 PI-37330 [0,0,0,1,0,1|2,0,0]=4 270 B10R1.8 CC1=CC(=CC(=O)O1)OC PI-48746 [1,0,0,0,0,1|2,0,0]=4 271 B10R1.8 COc1cc(C)cc(c1)C PI-34203 [1,0,0,0,0,1|2,0,0]=4 272 B10R1.8 O=Cc1cc(C)cc(F)c1 PI-28945 [1,0,0,0,0,1|2,0,0]=4 273 B10R1.8 O=Cc1cc(C)cc(c1)C PI-27730 [1,0,0,0,0,1|1,0,0]=3 274 B10R1.25 CC1=C(C=CC(=C1)F)C=O PI-10459 [1,0,0,0,0,1|2,0,0]=4 275 B10R1.25 CC1=CC(=C(C=C1)C=O)Br PI-26931 [1,0,0,0,0,1|2,0,0]=4 276 B10R1.25 CC1=CC(=C(C=C1)C=O)F PI-31460 [1,0,0,0,0,1|2,0,0]=4 277 B10R1.25 CC1=CC(=CN=C1C=O)Br PI-41887 [1,0,0,0,0,1|2,0,0]=4 278 B10R1.25 O=Cc1ccc(C)cc1O PI-20805 [1,0,0,0,0,1|2,0,0]=4 279 B10R1.25 O=Cc1ccc(cc1C)C PI-27218 [1,0,0,0,0,1|1,0,0]=3 280 B10R1.25 O=Cc1ccc(cc1C)Cl PI-27562 [1,0,0,0,0,1|2,0,0]=4 281 B10R1.25 OC1=CC(=C(C=O)C=C1)C PI-18542 [1,0,0,0,0,1|2,0,0]=4 282 B10R1.13 C1=CC(=O)OC=C1C(=O)O PI-31209 [1,0,0,0,0,1|2,0,0]=4 283 B10R1.13 CC(=O)C1=CC=C(C=C1)Br PI-44871 [1,0,0,0,0,1|2,0,0]=4 284 B10R1.13 CC(=O)C1=CC=C(C=C1)N PI-29588 [1,0,0,0,0,1|2,0,0]=4 285 B10R1.13 CC(=O)C1=CN=C(C=C1)N PI-34884 [1,0,0,0,0,1|2,0,0]=4 286 B10R1.13 CC(=O)C1=NC=C(C=C1)Br PI-41220 [1,0,0,0,0,1|2,0,0]=4 287 B10R1.13 CC(=O)c1ccc(cc1)I PI-29117 [1,0,0,0,0,1|2,0,0]=4 288 B10R1.13 CC(C1=CC=C(O)C=C1)=O PI-37424 [1,0,0,0,0,1|2,0,0]=4 289 B10R1.13 CC1=CC=C(C=C1)C(=O)C PI-32267 [1,0,0,0,0,1|1,0,0]=3 290 B10R1.13 CC1=CC=C(C=C1)C(=O)Cl PI-34220 [1,0,0,0,0,1|2,0,0]=4 291 B10R1.13 CC1=NC=C(C=C1)C(=O)C PI-34864 [1,0,0,0,0,1|1,0,0]=3 292 B10R1.13 Cc1ccc(cn1)C(=O)O PI-16698 [1,0,0,0,0,1|2,0,0]=4 293 B10R1.13 Cc1cnc(cn1)C(=O)O PI-16774 [1,0,0,0,0,1|2,0,0]=4 294 B10R1.13 Cc1ncc(cn1)C(=O)O PI-36501 [1,0,0,0,0,1|2,0,0]=4 295 B10R1.13 ClC(=O)c1ccc(cc1)C PI-32402 [1,0,0,0,0,1|2,0,0]=4 296 B10R1.13 O=C(N)C1=CN=C(C)C=C1 PI-37349 [1,0,0,0,0,1|2,0,0]=4 297 B12R1.101 CC1=CC(=CC(=C1)CC(=O)O)C PI-30607 [0,0,0,0,0,2|2,0,0]=4 298 B12R1.233 CC1=C(C=CC(=C1)Cl)NC(=O)C PI-20149 [0,0,0,0,0,2|2,0,0]=4 299 B12R1.233 CC1=CC(=C(C=C1)CC(=O)O)C PI-11754 [0,0,0,0,0,2|2,0,0]=4 300 B12R1.127 CC1=CC(=C(C=C1)C)CC(=O)Cl PI-46967 [0,0,0,0,0,2|2,0,0]=4 301 B12R1.127 CC1=CC(=C(C=C1)C)CC(=O)O PI-30128 [0,0,0,0,0,2|2,0,0]=4 302 B12R1.127 CC1=CC(=C(C=C1)O)NC(=O)C PI-27815 [0,0,0,0,0,2|2,0,0]=4