0 B10R1.58 CC1=C(SC(=C1)C(=O)O)C PI-29578 [0,0,0,0,0,0|2,1,0]=3 1 B10R1.58 OC(=O)c1cc(c(s1)Br)C PI-39423 [0,0,0,0,0,0|1,2,0]=3 2 B10R1.58 OC(=O)c1cc(c(s1)Br)Cl PI-39422 [0,0,0,0,0,0|0,2,0]=2 3 B10R1.58 OC(=O)c1nn(C)c(C)c1 PI-21985 [0,0,0,0,0,0|4,0,0]=4 4 B10R1.58 OC(=O)c1oc(C)c(C)c1 PI-17532 [0,0,0,0,0,0|2,0,0]=2 5 B10R1.58 OC(=O)c1sc(Br)c(Br)c1 PI-26016 [0,0,0,0,0,0|0,3,0]=3 6 B9R1.23 C1=C(OC(=C1Br)Br)C=O PI-10091 [1,0,0,0,0,0|0,2,0]=3 7 B9R1.23 O=Cc1sc(Br)c(Br)c1 PI-29531 [1,0,0,0,0,0|0,3,0]=4 8 B9R1.35 B(C1=CC=C(O1)C)(O)O PI-18768 [1,0,0,0,0,0|2,0,1]=4 9 B9R1.35 B(C1=CC=C(S1)Cl)(O)O PI-25215 [1,0,0,0,0,0|1,1,1]=4 10 B9R1.35 Brc1scc(c1)C(=O)O PI-35044 [1,0,0,0,0,0|2,1,0]=4 11 B9R1.35 C1=C(N=C(S1)Br)C(=O)O PI-25633 [1,0,0,0,0,0|2,1,0]=4 12 B9R1.35 C1=C(N=C(S1)C(=O)O)Br PI-45389 [1,0,0,0,0,0|1,2,0]=4 13 B9R1.35 C1=C(N=C(S1)N)C(=O)O PI-16258 [1,0,0,0,0,0|3,0,0]=4 14 B9R1.35 C1=C(OC(=C1)Br)C(=O)Cl PI-21496 [1,0,0,0,0,0|1,1,0]=3 15 B9R1.35 C1=C(OC(=C1)Br)C(=O)O PI-21497 [1,0,0,0,0,0|0,1,0]=2 16 B9R1.35 C1=C(OC(=C1)Br)[N+](=O)[O-] PI-17302 [1,0,0,0,0,0|1,1,1]=4 17 B9R1.35 C1=C(OC(=C1)N)C(=O)O PI-19351 [1,0,0,0,0,0|1,0,0]=2 18 B9R1.35 C1=C(SC(=C1)Br)C(=O)Cl PI-45457 [1,0,0,0,0,0|1,2,0]=4 19 B9R1.35 C1=C(SC(=C1)Br)C(=O)N PI-29907 [1,0,0,0,0,0|1,2,0]=4 20 B9R1.35 C1=C(SC(=C1)Br)C(=O)O PI-16448 [1,0,0,0,0,0|0,2,0]=3 21 B9R1.35 C1=C(SC(=C1)Cl)C(=O)O PI-30361 [1,0,0,0,0,0|0,1,0]=2 22 B9R1.35 C1=C(SC(=N1)Br)C(=O)O PI-25655 [1,0,0,0,0,0|1,2,0]=4 23 B9R1.35 C1=C(SC(=N1)C)C(=O)O PI-36606 [1,0,0,0,0,0|2,1,0]=4 24 B9R1.35 CC(=O)C1=CC(Br)=CS1 PI-29021 [1,0,0,0,0,0|1,2,0]=4 25 B9R1.35 CC(=O)C1=CC=C(S1)Br PI-16279 [1,0,0,0,0,0|1,2,0]=4 26 B9R1.35 CC(=O)C1=CC=C(S1)I PI-26551 [1,0,0,0,0,0|1,2,0]=4 27 B9R1.35 CC(=O)c1cc(cs1)Cl PI-38201 [1,0,0,0,0,0|1,1,0]=3 28 B9R1.35 CC1=CC=C(O1)C(=O)Cl PI-19122 [1,0,0,0,0,0|2,0,0]=3 29 B9R1.35 CC1=CC=C(O1)C(=O)O PI-17727 [1,0,0,0,0,0|1,0,0]=2 30 B9R1.35 CC1=CC=C(S1)C(=O)C PI-27153 [1,0,0,0,0,0|2,1,0]=4 31 B9R1.35 CC1=CC=C(S1)C(=O)O PI-11163 [1,0,0,0,0,0|1,1,0]=3 32 B9R1.35 CC1=CSC(=C1)C(=O)O PI-29136 [1,0,0,0,0,0|1,1,0]=3 33 B9R1.35 Cc1cc(no1)C(=O)O PI-36872 [1,0,0,0,0,0|3,0,0]=4 34 B9R1.35 Cc1nc(co1)C(=O)O PI-38605 [1,0,0,0,0,0|3,0,0]=4 35 B9R1.35 Clc1ccc(s1)C(=O)Cl PI-26633 [1,0,0,0,0,0|1,1,0]=3 36 B9R1.35 Cn1cc(nc1)C(=O)O PI-38169 [1,0,0,0,0,0|3,0,0]=4 37 B9R1.35 Cn1ccc(n1)C(=O)O PI-38564 [1,0,0,0,0,0|3,0,0]=4 38 B9R1.35 O=C(C1=CSC(Cl)=C1)O PI-46668 [1,0,0,0,0,0|2,0,0]=3 39 B9R1.35 OC(=O)C1=CC(Br)=CN1 PI-39658 [1,0,0,0,0,0|1,1,0]=3 40 B9R1.35 OC(=O)c1c[nH]c(C)c1 PI-36150 [1,0,0,0,0,0|3,0,0]=4 41 B9R1.35 OC(=O)c1cc(Br)cs1 PI-29188 [1,0,0,0,0,0|0,2,0]=3 42 B9R1.35 OC(=O)c1cc([nH]n1)Cl PI-39269 [1,0,0,0,0,0|2,0,0]=3 43 B9R1.35 OC(=O)c1cc(no1)Br PI-39414 [1,0,0,0,0,0|1,1,0]=3 44 B9R1.35 OC(=O)c1ncc(s1)Br PI-39239 [1,0,0,0,0,0|1,2,0]=4 45 B11R1.79 C1=C(SC(=C1Cl)Cl)S(=O)(=O)Cl PI-15242 [0,1,0,0,0,0|1,1,1]=4 46 B11R1.79 C1=C(SC(=C1Cl)Cl)S(=O)(=O)N PI-29401 [0,1,0,0,0,0|1,1,1]=4 47 B11R1.226 O=C(C1=CC(Br)=C(Br)N1)OC PI-41786 [0,1,0,0,0,0|1,2,0]=4 48 B11R1.672 C1(=C(SC(=C1Cl)Cl)C(=O)Cl)Cl PI-29387 [0,1,0,0,0,0|1,1,0]=3 49 B11R1.672 C1(=C(SC(=C1Cl)Cl)C(=O)O)Cl PI-29409 [0,1,0,0,0,0|0,1,0]=2 50 B11R1.21 C1=C(C(=CC=C1C(=O)O)C)N PI-31125 [0,0,0,0,0,1|3,0,0]=4 51 B11R1.21 C1=C(C(=O)NC=C1C(=O)O)Cl PI-16724 [0,0,0,0,0,1|2,0,0]=3 52 B11R1.21 C1=C(C=NC(=C1Br)F)C(=O)O PI-36514 [0,0,0,0,0,1|1,2,0]=4 53 B11R1.21 C1=C(C=NC(=C1Cl)Cl)C(=O)O PI-16262 [0,0,0,0,0,1|1,0,0]=2 54 B11R1.21 C1=CC(=C(C=C1C(=O)Cl)Cl)Cl PI-34219 [0,0,0,0,0,1|2,0,0]=3 55 B11R1.21 C1=CC(=C(C=C1C(=O)Cl)Cl)F PI-34234 [0,0,0,0,0,1|2,1,0]=4 56 B11R1.21 C1=CC(=C(C=C1C(=O)N)Cl)Cl PI-30402 [0,0,0,0,0,1|2,0,0]=3 57 B11R1.21 C1=CC(=C(C=C1C(=O)N)N)Cl PI-24201 [0,0,0,0,0,1|3,0,0]=4 58 B11R1.21 C1=CC(=C(C=C1C(=O)O)Br)O PI-10053 [0,0,0,0,0,1|2,1,0]=4 59 B11R1.21 C1=CC(=C(C=C1C(=O)O)Cl)F PI-16072 [0,0,0,0,0,1|1,1,0]=3 60 B11R1.21 C1=CC(=C(C=C1C(=O)O)Cl)N PI-32812 [0,0,0,0,0,1|2,0,0]=3 61 B11R1.21 C1=CC(=C(C=C1C(=O)O)Cl)O PI-19535 [0,0,0,0,0,1|2,0,0]=3 62 B11R1.21 C1=CC(=C(C=C1C(=O)O)F)Br PI-16062 [0,0,0,0,0,1|1,2,0]=4 63 B11R1.21 C1=CC(=C(C=C1C(=O)O)F)N PI-30637 [0,0,0,0,0,1|2,1,0]=4 64 B11R1.21 C1=CC(=C(C=C1C(=O)O)I)O PI-50668 [0,0,0,0,0,1|2,1,0]=4 65 B11R1.21 C1=CC(=C(C=C1C(=O)O)N)F PI-16994 [0,0,0,0,0,1|2,1,0]=4 66 B11R1.21 C1=CC(=C(C=C1C(=O)O)O)F PI-23589 [0,0,0,0,0,1|2,1,0]=4 67 B11R1.21 C1=CC(=C(C=C1C(=O)O)O)I PI-33357 [0,0,0,0,0,1|2,1,0]=4 68 B11R1.21 C1=CC(=C(C=C1C(=O)O)O)N PI-30353 [0,0,0,0,0,1|3,0,0]=4 69 B11R1.21 CC(=O)C1=CC(=C(C=C1)Cl)Cl PI-29417 [0,0,0,0,0,1|2,0,0]=3 70 B11R1.21 CC(=O)C1=CC(=C(C=C1)Cl)F PI-30165 [0,0,0,0,0,1|2,1,0]=4 71 B11R1.21 CC(=O)c1ccc(Cl)c(C)c1 PI-29523 [0,0,0,0,0,1|3,0,0]=4 72 B11R1.21 CC(=O)c1ccc(F)c(Cl)c1 PI-16917 [0,0,0,0,0,1|2,1,0]=4 73 B11R1.21 CC(=O)c1ccc(c(c1)Cl)O PI-30431 [0,0,0,0,0,1|3,0,0]=4 74 B11R1.21 CC1=C(C=C(C=C1)C(=O)O)C PI-27799 [0,0,0,0,0,1|3,0,0]=4 75 B11R1.21 CC1=C(C=C(C=C1)C(=O)O)F PI-31159 [0,0,0,0,0,1|2,1,0]=4 76 B11R1.21 CC1=C(C=C(C=C1)C(=O)O)I PI-31314 [0,0,0,0,0,1|2,1,0]=4 77 B11R1.21 CC1=C(C=C(C=C1)C(=O)O)O PI-10215 [0,0,0,0,0,1|3,0,0]=4 78 B11R1.21 CC1=C(C=CC(=C1)C(=O)O)Br PI-22129 [0,0,0,0,0,1|2,1,0]=4 79 B11R1.21 CC1=C(C=CC(=C1)C(=O)O)Cl PI-31518 [0,0,0,0,0,1|2,0,0]=3 80 B11R1.21 CC1=C(C=CC(=C1)C(=O)O)F PI-23746 [0,0,0,0,0,1|2,1,0]=4 81 B11R1.21 CC1=C(C=CC(=C1)C(=O)O)O PI-20807 [0,0,0,0,0,1|3,0,0]=4 82 B11R1.21 CC1=C(C=CC(=N1)C(=O)O)F PI-34875 [0,0,0,0,0,1|2,1,0]=4 83 B11R1.21 O=C(N)C1=CC=C(F)C(Cl)=C1 PI-20058 [0,0,0,0,0,1|2,1,0]=4 84 B11R1.21 OB(c1ccc(c(c1)Cl)Cl)O PI-14297 [0,0,0,0,0,1|2,0,1]=4 85 B11R1.21 OC(=O)C1=CC(I)=C(Br)C=C1 PI-39647 [0,0,0,0,0,1|1,2,0]=4 86 B11R1.21 OC(=O)c1ccc(C)c(Cl)c1 PI-30672 [0,0,0,0,0,1|2,0,0]=3 87 B11R1.21 OC(=O)c1ccc(Cl)c(F)c1 PI-16071 [0,0,0,0,0,1|1,1,0]=3 88 B11R1.21 OC(=O)c1ccc(N)c(C)c1 PI-27395 [0,0,0,0,0,1|3,0,0]=4 89 B11R1.21 OC(=O)c1ccc(O)c(N)c1 PI-10926 [0,0,0,0,0,1|3,0,0]=4 90 B11R1.21 OC(=O)c1ccc(O)c(O)c1 PI-20424 [0,0,0,0,0,1|3,0,0]=4 91 B11R1.21 OC(=O)c1ccc(c(c1)Br)C PI-30921 [0,0,0,0,0,1|2,1,0]=4 92 B11R1.21 OC(=O)c1ccc(c(c1)Br)Cl PI-14390 [0,0,0,0,0,1|1,1,0]=3 93 B11R1.21 OC(=O)c1ccc(c(c1)Br)F PI-16063 [0,0,0,0,0,1|1,2,0]=4 94 B11R1.21 OC(=O)c1ccc(c(c1)F)F PI-10196 [0,0,0,0,0,1|1,2,0]=4 95 B11R1.21 OC(=O)c1ccc(c(c1)F)O PI-23588 [0,0,0,0,0,1|2,1,0]=4 96 B11R1.21 OC(=O)c1ccc(c(c1)N)Cl PI-10214 [0,0,0,0,0,1|2,0,0]=3 97 B11R1.21 OC(=O)c1ccc(c(c1)N)N PI-27800 [0,0,0,0,0,1|3,0,0]=4 98 B11R1.21 OC(=O)c1ccc(c(c1)O)Cl PI-19468 [0,0,0,0,0,1|2,0,0]=3 99 B11R1.21 OC(=O)c1ccc(c(c1)S)N PI-27183 [0,0,0,0,0,1|3,0,0]=4 100 B11R1.21 OC(=O)c1cnc(c(c1)Br)C PI-39237 [0,0,0,0,0,1|2,1,0]=4 101 B11R1.21 OC(=O)c1cnc(c(c1)Br)Cl PI-34711 [0,0,0,0,0,1|1,1,0]=3 102 B11R1.21 OC(=O)c1cnc(c(c1)Br)O PI-35284 [0,0,0,0,0,1|2,1,0]=4 103 B11R1.21 OC(=O)c1cnc(c(c1)I)O PI-39189 [0,0,0,0,0,1|2,1,0]=4 104 B11R1.74 B(C1=CC(=CC(=C1)Cl)Cl)(O)O PI-30843 [0,0,0,0,0,1|2,0,1]=4 105 B11R1.74 C1=C(C=C(C=C1Br)I)C(=O)O PI-21371 [0,0,0,0,0,1|1,2,0]=4 106 B11R1.74 C1=C(C=C(C=C1Cl)Cl)C(=N)N PI-30342 [0,0,0,0,0,1|3,0,0]=4 107 B11R1.74 C1=C(C=C(C=C1Cl)Cl)C(=O)Cl PI-11893 [0,0,0,0,0,1|2,0,0]=3 108 B11R1.74 C1=C(C=C(C=C1Cl)Cl)C(=O)N PI-21002 [0,0,0,0,0,1|2,0,0]=3 109 B11R1.74 C1=C(C=C(C=C1Cl)Cl)C(=O)O PI-11891 [0,0,0,0,0,1|1,0,0]=2 110 B11R1.74 C1=C(C=C(C=C1Cl)Cl)[N+](=O)[O-] PI-10896 [0,0,0,0,0,1|2,0,1]=4 111 B11R1.74 C1=C(C=C(C=C1F)Br)C(=O)O PI-16064 [0,0,0,0,0,1|1,2,0]=4 112 B11R1.74 C1=C(C=C(C=C1N)N)C(=O)O PI-33050 [0,0,0,0,0,1|3,0,0]=4 113 B11R1.74 C1=C(C=C(C=C1O)Br)C(=O)O PI-47172 [0,0,0,0,0,1|2,1,0]=4 114 B11R1.74 C1=C(C=C(C=C1O)Cl)C(=O)O PI-47171 [0,0,0,0,0,1|2,0,0]=3 115 B11R1.74 C1=C(C=C(N=C1C(=O)O)Cl)Cl PI-50621 [0,0,0,0,0,1|1,0,0]=2 116 B11R1.74 C1=C(C=C(NC1=O)O)C(=O)O PI-41126 [0,0,0,0,0,1|3,0,0]=4 117 B11R1.74 CC(=O)C1=CC(=CC(=C1)Cl)Cl PI-29140 [0,0,0,0,0,1|2,0,0]=3 118 B11R1.74 CC1=CC(=CC(=N1)Cl)C(=O)Cl PI-20177 [0,0,0,0,0,1|3,0,0]=4 119 B11R1.74 CC1=CC(=CC(=N1)Cl)C(=O)O PI-49440 [0,0,0,0,0,1|2,0,0]=3 120 B11R1.74 Cc1cc(C)cc(c1)C(=O)O PI-31207 [0,0,0,0,0,1|3,0,0]=4 121 B11R1.74 Cc1cc(F)cc(c1)C(=O)O PI-34459 [0,0,0,0,0,1|2,1,0]=4 122 B11R1.74 Cc1cc(O)cc(c1)C(=O)O PI-39027 [0,0,0,0,0,1|3,0,0]=4 123 B11R1.74 Clc1cc(Br)cc(c1)C(=O)O PI-35805 [0,0,0,0,0,1|1,1,0]=3 124 B11R1.74 Fc1cc(F)cc(c1)C(=O)O PI-10428 [0,0,0,0,0,1|1,2,0]=4 125 B11R1.74 Ic1cc(I)cc(c1)C(=O)O PI-36327 [0,0,0,0,0,1|1,2,0]=4 126 B11R1.74 OC(=O)c1cc(Br)cc(c1)Br PI-20961 [0,0,0,0,0,1|1,2,0]=4 127 B11R1.74 OC(=O)c1cc(Cl)nc(c1)Cl PI-16190 [0,0,0,0,0,1|1,0,0]=2 128 B11R1.74 Oc1cc(O)cc(c1)C(=O)O PI-33401 [0,0,0,0,0,1|3,0,0]=4 129 B8R1.1 Brc1cc(oc1)C=O PI-21495 [2,0,0,0,0,0|0,1,0]=3 130 B8R1.1 Brc1cc(sc1)C=O PI-16278 [2,0,0,0,0,0|0,2,0]=4 131 B8R1.1 Brc1ccc(C=O)o1 PI-31098 [2,0,0,0,0,0|0,1,0]=3 132 B8R1.1 Brc1ccc(C=O)s1 PI-35909 [2,0,0,0,0,0|0,2,0]=4 133 B8R1.1 C1=C(OC(=C1)I)C=O PI-31133 [2,0,0,0,0,0|0,1,0]=3 134 B8R1.1 C1=C(SC(=C1)Cl)C=O PI-30886 [2,0,0,0,0,0|0,1,0]=3 135 B8R1.1 C1=C(SC(=C1)Cl)CO PI-45044 [2,0,0,0,0,0|0,1,1]=4 136 B8R1.1 CC1=CC=C(O1)C=O PI-44598 [2,0,0,0,0,0|1,0,0]=3 137 B8R1.1 CC1=CSC(=C1)C=O PI-29744 [2,0,0,0,0,0|1,1,0]=4 138 B8R1.1 Cc1ccc(C=O)s1 PI-10821 [2,0,0,0,0,0|1,1,0]=4 139 B8R1.1 O=CC1=CN=C(Cl)S1 PI-41521 [2,0,0,0,0,0|1,1,0]=4 140 B8R1.7 C1=C(NC=N1)C(=O)O PI-31349 [2,0,0,0,0,0|2,0,0]=4 141 B8R1.7 C1=C(ON=C1)C(=O)Cl PI-29789 [2,0,0,0,0,0|2,0,0]=4 142 B8R1.7 C1=C(SC=N1)C(=O)O PI-25160 [2,0,0,0,0,0|1,1,0]=4 143 B8R1.7 C1=CN=C(N1)C(=O)O PI-40003 [2,0,0,0,0,0|2,0,0]=4 144 B8R1.7 C1=CNC=C1C(=O)O PI-34087 [2,0,0,0,0,0|2,0,0]=4 145 B8R1.7 C1=CNC=C1C(=O)O PI-48299 [2,0,0,0,0,0|2,0,0]=4 146 B8R1.7 C1=COC(=C1)C(=O)N PI-17349 [2,0,0,0,0,0|1,0,0]=3 147 B8R1.7 C1=COC=C1C(=O)O PI-16502 [2,0,0,0,0,0|2,0,0]=4 148 B8R1.7 C1=CON=C1C(=O)O PI-48871 [2,0,0,0,0,0|2,0,0]=4 149 B8R1.7 C1=CSC(=C1)C(=O)N PI-50586 [2,0,0,0,0,0|1,1,0]=4 150 B8R1.7 C1=CSC(=C1)C(=O)[O-] PI-11153 [2,0,0,0,0,0|0,1,1]=4 151 B8R1.7 CC(=O)C1=CC=CN1 PI-12083 [2,0,0,0,0,0|2,0,0]=4 152 B8R1.7 NC(=S)c1ccco1 PI-19230 [2,0,0,0,0,0|1,1,0]=4 153 B8R1.7 OB(c1ccco1)O PI-33002 [2,0,0,0,0,0|1,0,1]=4 154 B8R1.7 OC(=O)c1cc[nH]n1 PI-34779 [2,0,0,0,0,0|2,0,0]=4 155 B8R1.7 OC(=O)c1ccc[nH]1 PI-27813 [2,0,0,0,0,0|1,0,0]=3 156 B8R1.7 OC(=O)c1cccs1 PI-38239 [2,0,0,0,0,0|0,1,0]=3 157 B8R1.7 OC(=O)c1ccno1 PI-29335 [2,0,0,0,0,0|1,0,0]=3 158 B8R1.7 OC(=O)c1cocn1 PI-43182 [2,0,0,0,0,0|2,0,0]=4 159 B8R1.7 OC(=O)c1cscc1 PI-10764 [2,0,0,0,0,0|2,0,0]=4 160 B8R1.7 OC(=O)c1cscn1 PI-28011 [2,0,0,0,0,0|2,0,0]=4 161 B10R1.14 C1=C(C(OC)=O)N=C(S1)Cl PI-41958 [1,1,0,0,0,0|2,0,0]=4 162 B10R1.14 C1=C(OC(=C1)Br)C(=O)NN PI-21498 [1,1,0,0,0,0|1,1,0]=4 163 B10R1.14 C1=C(SC(=C1)Cl)C(=O)NN PI-29504 [1,1,0,0,0,0|1,1,0]=4 164 B10R1.14 CC1=CC=C(O1)C(=O)OC PI-19366 [1,1,0,0,0,0|1,0,0]=3 165 B10R1.14 CCC(=O)C1=CC=C(O1)C PI-17359 [1,1,0,0,0,0|2,0,0]=4 166 B10R1.14 COC(=O)C1=CC=C(O1)Br PI-30379 [1,1,0,0,0,0|0,1,0]=3 167 B10R1.14 COC(=O)C1=CC=C(S1)Cl PI-45460 [1,1,0,0,0,0|0,1,0]=3 168 B10R1.14 COC(=O)c1cc(c[nH]1)Br PI-33152 [1,1,0,0,0,0|1,1,0]=4 169 B10R1.14 COC(=O)c1cc(cs1)Br PI-39011 [1,1,0,0,0,0|0,2,0]=4 170 B10R1.14 COC(=O)c1cc(cs1)N PI-35482 [1,1,0,0,0,0|1,1,0]=4 171 B10R1.14 COC(=O)c1cc(no1)O PI-36768 [1,1,0,0,0,0|2,0,0]=4 172 B10R1.14 COC(=O)c1ccc([nH]1)C PI-39271 [1,1,0,0,0,0|2,0,0]=4 173 B10R1.14 COC(=O)c1scc(C)c1 PI-24693 [1,1,0,0,0,0|1,1,0]=4 174 B10R1.14 Clc1ccc(s1)C(=O)CBr PI-20667 [1,1,0,0,0,0|1,1,0]=4 175 B10R1.31 C1=C(SC(=C1)C(=O)O)C=O PI-29607 [1,1,0,0,0,0|1,1,0]=4 176 B10R1.31 CCc1ccc(s1)C(=O)O PI-29371 [1,1,0,0,0,0|1,1,0]=4 177 B10R1.31 CSc1ccc(s1)C(=O)O PI-29329 [1,1,0,0,0,0|1,1,0]=4 178 B10R1.31 N#Cc1c[nH]c(c1)C(=O)O PI-36278 [1,1,0,0,0,0|2,0,0]=4 179 B10R1.31 O=Cc1ccc([nH]1)C(=O)O PI-36297 [1,1,0,0,0,0|2,0,0]=4 180 B10R1.31 O=Cc1ccc(o1)C(=O)O PI-17709 [1,1,0,0,0,0|1,0,0]=3 181 B10R1.31 OCc1ccc(o1)C(=O)O PI-19793 [1,1,0,0,0,0|1,0,0]=3 182 B10R1.59 CC1=C(OC(=C1)Br)C(=O)O PI-49746 [1,1,0,0,0,0|0,1,0]=3 183 B10R1.59 CC1=CC(=C(N1)C(=O)O)C PI-31903 [1,1,0,0,0,0|2,0,0]=4 184 B10R1.59 Clc1sc(c(c1)C(=O)O)Cl PI-18502 [1,1,0,0,0,0|2,0,0]=4 185 B10R1.59 O=C(C1=C(Cl)SC(Cl)=N1)O PI-46772 [1,1,0,0,0,0|2,0,0]=4 186 B10R1.194 OC(=O)c1scc(Br)c1C PI-22179 [1,1,0,0,0,0|0,2,0]=4 187 B10R1.194 OC(=O)c1snc(c1Cl)Cl PI-34849 [1,1,0,0,0,0|1,1,0]=4 188 B12R1.48 COc1ccc(cc1Cl)C(=O)O PI-30550 [0,1,0,0,0,1|2,0,0]=4 189 B12R1.56 COc1cc(ccc1Cl)C(=O)O PI-27953 [0,1,0,0,0,1|2,0,0]=4 190 B12R1.232 C1=C(C(=CC(=C1Br)Cl)N)C(=O)O PI-45739 [0,1,0,0,0,1|1,1,0]=4 191 B12R1.232 C1=C(C(=CC(=C1Cl)Cl)Cl)C(=O)O PI-39988 [0,1,0,0,0,1|1,0,0]=3 192 B12R1.232 C1=C(C(=CC(=C1F)Cl)Cl)C(=O)O PI-16073 [0,1,0,0,0,1|1,1,0]=4 193 B12R1.232 C1=C(C(=CC(=C1F)Cl)F)C(=O)O PI-16075 [0,1,0,0,0,1|1,1,0]=4 194 B12R1.232 C1=C(C(=NC(=C1Cl)Cl)Cl)C(=O)O PI-48976 [0,1,0,0,0,1|1,0,0]=3 195 B12R1.232 OC(=O)c1cc(Cl)c(F)cc1F PI-10197 [0,1,0,0,0,1|1,1,0]=4 196 B12R1.232 OC(=O)c1cc(F)c(Cl)nc1Cl PI-16613 [0,1,0,0,0,1|1,1,0]=4 197 B12R1.367 C1=CC(=C(C=C1C(=O)CCl)Cl)Cl PI-30613 [0,1,0,0,0,1|2,0,0]=4 198 B12R1.367 C1=CC(=C(C=C1C(=O)NN)Cl)Cl PI-50327 [0,1,0,0,0,1|2,0,0]=4 199 B12R1.367 CC1=C(C=C(C=C1)C(=O)OC)Cl PI-32079 [0,1,0,0,0,1|2,0,0]=4 200 B12R1.367 CCC(=O)C1=CC(=C(C=C1)Cl)Cl PI-12719 [0,1,0,0,0,1|2,0,0]=4 201 B12R1.367 COC(=O)C1=CC(=C(C=C1)Cl)Cl PI-18437 [0,1,0,0,0,1|1,0,0]=3 202 B12R1.367 COC(=O)C1=CC(=C(N=C1)Cl)Br PI-34712 [0,1,0,0,0,1|1,1,0]=4 203 B12R1.367 COC(=O)C1=CC(=C(N=C1)Cl)O PI-48213 [0,1,0,0,0,1|2,0,0]=4 204 B12R1.367 COC(=O)c1ccc(c(c1)Cl)O PI-30567 [0,1,0,0,0,1|2,0,0]=4 205 B12R1.367 COC(=O)c1ccc(c(c1)N)Cl PI-18531 [0,1,0,0,0,1|2,0,0]=4 206 B12R1.893 C1=CC(=C(C(=C1C(=O)O)F)Cl)F PI-20034 [0,1,0,0,0,1|1,1,0]=4 207 B12R1.893 CC(=O)C1=C(C(=C(C=C1)Cl)Cl)Cl PI-12808 [0,1,0,0,0,1|2,0,0]=4 208 B12R1.1005 C1=C(C=C(C(=C1Cl)O)Cl)C(=O)O PI-10216 [0,1,0,0,0,1|2,0,0]=4 209 B12R1.1005 OC(=O)c1cc(Cl)c(c(c1)Cl)Cl PI-35507 [0,1,0,0,0,1|1,0,0]=3 210 B12R1.1005 OC(=O)c1cc(Cl)c(c(c1)Cl)N PI-11020 [0,1,0,0,0,1|2,0,0]=4 211 B12R1.11 COC1=NC(=CC(=C1)C(=O)O)Cl PI-26177 [0,1,0,0,0,1|2,0,0]=4 212 B12R1.358 C1=C(C=C(C=C1Cl)Cl)C(=O)NN PI-50250 [0,1,0,0,0,1|2,0,0]=4 213 B12R1.358 CC1=NC(=CC(=C1)C(=O)OC)Cl PI-43952 [0,1,0,0,0,1|2,0,0]=4 214 B12R1.358 COC(=O)C1=CC(=CC(=C1)Cl)Cl PI-50527 [0,1,0,0,0,1|1,0,0]=3 215 B12R1.358 COC(=O)C1=NC(=CC(=C1)Cl)Cl PI-50679 [0,1,0,0,0,1|1,0,0]=3 216 B12R1.358 COC(=O)c1cc(Cl)nc(Cl)n1 PI-36384 [0,1,0,0,0,1|1,0,0]=3 217 B12R1.358 COC(=O)c1cc(Cl)nc(c1)Cl PI-39320 [0,1,0,0,0,1|1,0,0]=3 218 B12R1.511 C1=C(C=C(C(=C1C(=O)O)Cl)Cl)Cl PI-27648 [0,1,0,0,0,1|1,0,0]=3 219 B12R1.511 C1=C(C=C(C(=C1C(=O)O)Cl)N)Cl PI-24093 [0,1,0,0,0,1|2,0,0]=4 220 B12R1.511 CC(=O)C1=C(C(=CC(=C1)Cl)Cl)F PI-28571 [0,1,0,0,0,1|2,0,0]=4 221 B12R1.511 CC(=O)C1=C(C(=CC(=C1)Cl)Cl)O PI-15408 [0,1,0,0,0,1|2,0,0]=4 222 B12R1.511 CC1=CC(=CC(=C1N)C(=O)O)Cl PI-10075 [0,1,0,0,0,1|2,0,0]=4 223 B12R1.511 Clc1cc(Cl)c(c(c1)C(=O)O)N PI-10925 [0,1,0,0,0,1|1,0,0]=3 224 B12R1.314 CCOC(=O)C1=CC(=C(O1)C)C PI-17533 [0,2,0,0,0,0|2,0,0]=4 225 B10R1.13 C1=CC(=O)OC=C1C(=O)O PI-31209 [0,0,1,1,0,0|2,0,0]=4 226 B10R1.113 C1=CC(=CC(=C1)Cl)C(=O)O PI-34230 [0,0,1,1,0,0|2,0,0]=4 227 B10R1.113 C1=CN=C(C=C1C(=O)O)Cl PI-16713 [0,0,1,1,0,0|2,0,0]=4 228 B10R1.113 C1=CN=C(C=C1Cl)C(=O)O PI-34707 [0,0,1,1,0,0|2,0,0]=4 229 B10R1.113 C1=CN=C(N=C1C(=O)O)Cl PI-41170 [0,0,1,1,0,0|2,0,0]=4 230 B10R1.113 Clc1cccc(n1)C(=O)O PI-10178 [0,0,1,1,0,0|2,0,0]=4 231 B10R1.113 O=C(C1=CC(C=CO1)=O)O PI-40052 [0,0,1,1,0,0|2,0,0]=4 232 B10R1.118 Clc1cc(Cl)c(cc1O)Cl PI-34305 [0,0,1,1,0,0|2,0,0]=4 233 B10R1.8 C1=C(C=C(C=C1Cl)Cl)C=O PI-11890 [1,0,0,0,0,1|1,0,0]=3 234 B10R1.8 C1=C(C=C(C=C1Cl)Cl)CO PI-30760 [1,0,0,0,0,1|1,0,1]=4 235 B10R1.8 C1=C(C=C(C=C1F)Cl)C=O PI-27970 [1,0,0,0,0,1|1,1,0]=4 236 B10R1.8 O=Cc1cc(Cl)cc(Br)c1 PI-26240 [1,0,0,0,0,1|1,1,0]=4 237 B10R1.8 O=Cc1cc(Cl)nc(c1)Cl PI-38198 [1,0,0,0,0,1|1,0,0]=3 238 B12R1.19 C1=C(C=C(C(=C1)F)Cl)CC(=O)O PI-28777 [0,0,0,0,0,2|1,1,0]=4 239 B12R1.19 C1=CC(=C(C=C1CC(=O)O)Cl)Cl PI-12710 [0,0,0,0,0,2|1,0,0]=3 240 B12R1.19 C1=CC(=C(C=C1CC(=O)O)Cl)O PI-30493 [0,0,0,0,0,2|2,0,0]=4 241 B12R1.101 OC(=O)Cc1cc(Cl)cc(c1)Cl PI-35232 [0,0,0,0,0,2|1,0,0]=3 242 B12R1.110 CC1=C(OC(=C1)C=CC(=O)O)C PI-17380 [0,0,0,0,0,2|2,0,0]=4