0 B8R1.1 C1=NC(=NC1CO)N AB56993 [0,0,0,0,0,0|3,0,1]=4 1 B8R1.1 CC1=CN=C(C1)C=O AB43814 [0,0,0,0,0,0|2,0,2]=4 2 B8R1.1 CC1=NC(=CC1)C=O AB43978 [0,0,0,0,0,0|1,0,3]=4 3 B8R1.1 CC1=NC(=NC1)CN AB28116 [0,0,0,0,0,0|3,0,1]=4 4 B8R1.1 CC1=NN=C(C1)CN AB51378 [0,0,0,0,0,0|4,0,0]=4 5 B8R1.1 CCc1[nH]c(cn1)Cl AB45181 [0,0,0,0,0,0|4,0,0]=4 6 B8R1.1 CCc1cnc(o1)N AB64704 [0,0,0,0,0,0|3,0,0]=3 7 B8R1.1 CCc1nnc(o1)N PB21808 [0,0,0,0,0,0|4,0,0]=4 8 B8R1.1 Cc1[nH]c(cn1)C=O AB05024 [0,0,0,0,0,0|2,0,2]=4 9 B8R1.1 Cc1[nH]c(cn1)CCl AB57911 [0,0,0,0,0,0|3,0,0]=3 10 B8R1.1 Cc1[nH]c(cn1)CN AB57919 [0,0,0,0,0,0|3,0,0]=3 11 B8R1.1 Cc1[nH]c(cn1)CO AB57908 [0,0,0,0,0,0|2,0,0]=2 12 B8R1.1 Cc1[nH]c(nn1)CN AB46091 [0,0,0,0,0,0|4,0,0]=4 13 B8R1.1 Cc1cc(no1)CN AB06189 [0,0,0,0,0,0|4,0,0]=4 14 B8R1.1 Cc1cc(oc1)CN PB24200 [0,0,0,0,0,0|3,0,0]=3 15 B8R1.1 Cc1cc(on1)CCl AB42093 [0,0,0,0,0,0|4,0,0]=4 16 B8R1.1 Cc1cc(on1)CN AB28053 [0,0,0,0,0,0|4,0,0]=4 17 B8R1.1 Cc1cc(sc1)CCl AB72607 [0,0,0,0,0,0|3,0,0]=3 18 B8R1.1 Cc1cc(sc1)CN AB25763 [0,0,0,0,0,0|3,0,0]=3 19 B8R1.1 Cc1ccc(s1)C#N PB12235 [0,0,0,0,0,0|1,1,1]=3 20 B8R1.1 Cc1ccc(s1)C=O AB00417 [0,0,0,0,0,0|0,1,2]=3 21 B8R1.1 Cc1ccc(s1)CCl AB50993 [0,0,0,0,0,0|1,1,0]=2 22 B8R1.1 Cc1ccc(s1)CN AB07827 [0,0,0,0,0,0|1,1,0]=2 23 B8R1.1 Cc1cnc(o1)CO AB63479 [0,0,0,0,0,0|1,0,0]=1 24 B8R1.1 Cc1cnc(o1)NC AB65971 [0,0,0,0,0,0|3,0,0]=3 25 B8R1.1 Cc1cnc(s1)C=O AB43202 [0,0,0,0,0,0|1,1,2]=4 26 B8R1.1 Cc1cnc(s1)CCl AB43206 [0,0,0,0,0,0|2,1,0]=3 27 B8R1.1 Cc1cnc(s1)CN AB43201 [0,0,0,0,0,0|2,1,0]=3 28 B8R1.1 Cc1coc(n1)C=O PB28183 [0,0,0,0,0,0|2,0,2]=4 29 B8R1.1 Cc1coc(n1)CCl AB70149 [0,0,0,0,0,0|3,0,0]=3 30 B8R1.1 Cc1coc(n1)CN AB70147 [0,0,0,0,0,0|3,0,0]=3 31 B8R1.1 Cc1coc(n1)NC AB65967 [0,0,0,0,0,0|4,0,0]=4 32 B8R1.1 Cc1csc(n1)C#N PB10548 [0,0,0,0,0,0|3,0,1]=4 33 B8R1.1 Cc1csc(n1)C=O PB14084 [0,0,0,0,0,0|2,0,2]=4 34 B8R1.1 Cc1csc(n1)CCl AB43168 [0,0,0,0,0,0|3,0,0]=3 35 B8R1.1 Cc1csc(n1)CN AB59755 [0,0,0,0,0,0|3,0,0]=3 36 B8R1.1 Cc1csc(n1)CO AB44110 [0,0,0,0,0,0|2,0,0]=2 37 B8R1.1 Cc1csc(n1)NC AB10516 [0,0,0,0,0,0|4,0,0]=4 38 B8R1.1 Cc1nc(co1)C=O AB13940 [0,0,0,0,0,0|2,0,2]=4 39 B8R1.1 Cc1nc(co1)CCl AB45871 [0,0,0,0,0,0|3,0,0]=3 40 B8R1.1 Cc1nc(co1)CN AB54740 [0,0,0,0,0,0|3,0,0]=3 41 B8R1.1 Cc1nc(co1)CO AB48508 [0,0,0,0,0,0|2,0,0]=2 42 B8R1.1 Cc1nc(cs1)C=O AB25415 [0,0,0,0,0,0|2,0,2]=4 43 B8R1.1 Cc1nc(cs1)CCl AB02129 [0,0,0,0,0,0|3,0,0]=3 44 B8R1.1 Cc1nc(cs1)CN AB23320 [0,0,0,0,0,0|3,0,0]=3 45 B8R1.1 Cc1nc(no1)CCl AB09935 [0,0,0,0,0,0|4,0,0]=4 46 B8R1.1 Cc1nc(no1)CO AB43139 [0,0,0,0,0,0|3,0,0]=3 47 B8R1.1 Cc1nc(on1)CCl AB45279 [0,0,0,0,0,0|4,0,0]=4 48 B8R1.1 Cc1nc(on1)CN AB57218 [0,0,0,0,0,0|4,0,0]=4 49 B8R1.1 Cc1nc(on1)CO AB44080 [0,0,0,0,0,0|3,0,0]=3 50 B8R1.1 Cc1ncc(o1)C=O AB27658 [0,0,0,0,0,0|1,0,2]=3 51 B8R1.1 Cc1ncc(o1)CCl AB70153 [0,0,0,0,0,0|2,0,0]=2 52 B8R1.1 Cc1ncc(o1)CN AB64071 [0,0,0,0,0,0|2,0,0]=2 53 B8R1.1 Cc1ncc(s1)C=O CB11336 [0,0,0,0,0,0|1,1,2]=4 54 B8R1.1 Cc1nnc(o1)C=O AB57523 [0,0,0,0,0,0|2,0,2]=4 55 B8R1.1 Cc1nnc(o1)CCl AB25410 [0,0,0,0,0,0|3,0,0]=3 56 B8R1.1 Cc1nnc(o1)CN AB28132 [0,0,0,0,0,0|3,0,0]=3 57 B8R1.1 Cc1nnc(o1)CN AB28474 [0,0,0,0,0,0|3,0,0]=3 58 B8R1.1 Cc1nnc(s1)CCl AB66821 [0,0,0,0,0,0|3,1,0]=4 59 B8R1.1 Cc1nnc(s1)CN AB62645 [0,0,0,0,0,0|3,1,0]=4 60 B8R1.1 Cn1cc(cn1)CCl AB53748 [0,0,0,0,0,0|4,0,0]=4 61 B8R1.1 Cn1cc(cn1)CN PB29175 [0,0,0,0,0,0|4,0,0]=4 62 B8R1.1 Cn1cc(cn1)CO PB19942 [0,0,0,0,0,0|3,0,0]=3 63 B8R1.1 Cn1cc(nc1)CCl AB60095 [0,0,0,0,0,0|4,0,0]=4 64 B8R1.1 Cn1cc(nc1)CN PB10356 [0,0,0,0,0,0|4,0,0]=4 65 B8R1.1 Cn1cc(nc1)CO PB13038 [0,0,0,0,0,0|3,0,0]=3 66 B8R1.1 Cn1cc(nn1)CO AB69593 [0,0,0,0,0,0|4,0,0]=4 67 B8R1.1 Cn1ccc(c1)CN AB48514 [0,0,0,0,0,0|3,0,0]=3 68 B8R1.1 Cn1ccc(c1)CO AB09760 [0,0,0,0,0,0|2,0,0]=2 69 B8R1.1 Cn1ccc(n1)C#N PB29091 [0,0,0,0,0,0|3,0,1]=4 70 B8R1.1 Cn1ccc(n1)C=O AB14508 [0,0,0,0,0,0|2,0,2]=4 71 B8R1.1 Cn1ccc(n1)CBr AB27867 [0,0,0,0,0,0|3,0,0]=3 72 B8R1.1 Cn1ccc(n1)CN PB29254 [0,0,0,0,0,0|3,0,0]=3 73 B8R1.1 Cn1ccc(n1)CO PB20290 [0,0,0,0,0,0|2,0,0]=2 74 B8R1.1 Cn1cnc(n1)CCl AB28284 [0,0,0,0,0,0|4,0,0]=4 75 B8R1.1 Cn1cnc(n1)CN PB35871 [0,0,0,0,0,0|4,0,0]=4 76 B8R1.1 Cn1cnc(n1)CO PB34812 [0,0,0,0,0,0|3,0,0]=3 77 B8R1.1 c1c(csc1Br)CN PB32960 [0,0,0,0,0,0|4,0,0]=4 78 B8R1.1 c1c(csc1CN)Br PB27838 [0,0,0,0,0,0|4,0,0]=4 79 B8R1.1 c1c(csc1CN)Cl PB16734 [0,0,0,0,0,0|4,0,0]=4 80 B8R1.1 c1c(csc1CO)Br PB12803 [0,0,0,0,0,0|3,0,0]=3 81 B8R1.1 c1c(csc1CO)Cl PB24317 [0,0,0,0,0,0|3,0,0]=3 82 B8R1.1 c1c(csc1Cl)CN PB15278 [0,0,0,0,0,0|4,0,0]=4 83 B8R1.1 c1c(csc1Cl)CO PB13604 [0,0,0,0,0,0|3,0,0]=3 84 B8R1.1 c1c(nc(o1)Cl)CBr AB43619 [0,0,0,0,0,0|4,0,0]=4 85 B8R1.1 c1c(nc(o1)Cl)CCl AB71583 [0,0,0,0,0,0|4,0,0]=4 86 B8R1.1 c1c(nc(o1)Cl)CN AB72277 [0,0,0,0,0,0|4,0,0]=4 87 B8R1.1 c1c(nc(o1)Cl)CO PB31033 [0,0,0,0,0,0|3,0,0]=3 88 B8R1.1 c1c(nc(s1)Br)CCl AB50547 [0,0,0,0,0,0|4,0,0]=4 89 B8R1.1 c1c(nc(s1)N)CCl AB01560 [0,0,0,0,0,0|4,0,0]=4 90 B8R1.1 c1c(nc(s1)N)CCl PB33908 [0,0,0,0,0,0|4,0,0]=4 91 B8R1.1 c1c(sc(n1)Br)CCl AB51428 [0,0,0,0,0,0|3,1,0]=4 92 B8R1.1 c1c(sc(n1)Br)CN AB49802 [0,0,0,0,0,0|3,1,0]=4 93 B8R1.1 c1c(sc(n1)Br)CO AB20494 [0,0,0,0,0,0|2,1,0]=3 94 B8R1.1 c1c(sc(n1)CN)Br PB39018 [0,0,0,0,0,0|3,1,0]=4 95 B8R1.1 c1c(sc(n1)CN)Cl PB37009 [0,0,0,0,0,0|3,1,0]=4 96 B8R1.1 c1c(sc(n1)CO)Br PB24473 [0,0,0,0,0,0|2,1,0]=3 97 B8R1.1 c1c(sc(n1)CO)Cl PB36635 [0,0,0,0,0,0|2,1,0]=3 98 B8R1.1 c1c(sc(n1)Cl)CCl AB08016 [0,0,0,0,0,0|3,1,0]=4 99 B8R1.1 c1c(sc(n1)N)CO AB23150 [0,0,0,0,0,0|2,1,0]=3 100 B8R1.1 c1cc(sc1C#N)Br PB23415 [0,0,0,0,0,0|2,1,1]=4 101 B8R1.1 c1cc(sc1C#N)Cl PB17611 [0,0,0,0,0,0|2,1,1]=4 102 B8R1.1 c1cc(sc1C#N)F PB20534 [0,0,0,0,0,0|2,1,1]=4 103 B8R1.1 c1cc(sc1C=O)Br PB32069 [0,0,0,0,0,0|1,1,2]=4 104 B8R1.1 c1cc(sc1C=O)Cl PB17085 [0,0,0,0,0,0|1,1,2]=4 105 B8R1.1 c1cc(sc1CCl)Cl AB00990 [0,0,0,0,0,0|2,1,0]=3 106 B8R1.1 c1cc(sc1CN)Br PB24892 [0,0,0,0,0,0|2,1,0]=3 107 B8R1.1 c1cc(sc1CN)Cl PB22134 [0,0,0,0,0,0|2,1,0]=3 108 B8R1.1 c1cc(sc1CN)F PB33422 [0,0,0,0,0,0|2,1,0]=3 109 B8R1.1 c1cc(sc1CO)Br PB23435 [0,0,0,0,0,0|1,1,0]=2 110 B8R1.1 c1cc(sc1CO)Cl PB23436 [0,0,0,0,0,0|1,1,0]=2 111 B8R1.1 c1cc(sc1CO)F PB31763 [0,0,0,0,0,0|1,1,0]=2 112 B7R1.1 C1=NC=NC1CO PB24669 [1,0,0,0,0,0|2,0,1]=4 113 B7R1.1 C1C=C(N=N1)CO CB12075 [1,0,0,0,0,0|2,0,1]=4 114 B7R1.1 C1C=C(N=N1)CO PB23601 [1,0,0,0,0,0|2,0,1]=4 115 B7R1.1 C1C=CCC1CO PB12789 [1,0,0,0,0,0|1,0,2]=4 116 B7R1.1 C1C=NC(=N1)CO AB23143 [1,0,0,0,0,0|2,0,1]=4 117 B7R1.1 CCC1=CN=CC1 AB31265 [1,0,0,0,0,0|3,0,0]=4 118 B7R1.1 c1c(con1)CO PB14463 [1,0,0,0,0,0|3,0,0]=4 119 B7R1.1 c1c(nco1)CCl AB71585 [1,0,0,0,0,0|3,0,0]=4 120 B7R1.1 c1c(nco1)CN PB29323 [1,0,0,0,0,0|3,0,0]=4 121 B7R1.1 c1c(nco1)CO PB29559 [1,0,0,0,0,0|2,0,0]=3 122 B7R1.1 c1c(ncs1)CCl AB10919 [1,0,0,0,0,0|3,0,0]=4 123 B7R1.1 c1c(ncs1)CN AB27866 [1,0,0,0,0,0|3,0,0]=4 124 B7R1.1 c1c(ncs1)CN PB21996 [1,0,0,0,0,0|3,0,0]=4 125 B7R1.1 c1c(ncs1)CO AB20478 [1,0,0,0,0,0|2,0,0]=3 126 B7R1.1 c1c(ocn1)C#N AB19309 [1,0,0,0,0,0|2,0,1]=4 127 B7R1.1 c1c(ocn1)C=O AB11283 [1,0,0,0,0,0|1,0,2]=4 128 B7R1.1 c1c(ocn1)CCl AB42450 [1,0,0,0,0,0|2,0,0]=3 129 B7R1.1 c1c(ocn1)CN AB30442 [1,0,0,0,0,0|2,0,0]=3 130 B7R1.1 c1c(ocn1)CO PB32681 [1,0,0,0,0,0|1,0,0]=2 131 B7R1.1 c1c(scn1)CCl AB64977 [1,0,0,0,0,0|2,1,0]=4 132 B7R1.1 c1c(scn1)CN AB27929 [1,0,0,0,0,0|2,1,0]=4 133 B7R1.1 c1c(scn1)CN PB32316 [1,0,0,0,0,0|2,1,0]=4 134 B7R1.1 c1c(scn1)CO AB20492 [1,0,0,0,0,0|1,1,0]=3 135 B7R1.1 c1cc(oc1)C#N AB00309 [1,0,0,0,0,0|1,0,1]=3 136 B7R1.1 c1cc(oc1)CCl MB06568 [1,0,0,0,0,0|1,0,0]=2 137 B7R1.1 c1cc(sc1)CN PB17027 [1,0,0,0,0,0|1,1,0]=3 138 B7R1.1 c1cc(sc1)CO PB10001 [1,0,0,0,0,0|0,1,0]=2 139 B7R1.1 c1cnoc1CN AB27950 [1,0,0,0,0,0|2,0,0]=3 140 B7R1.1 c1cnoc1CN AB27954 [1,0,0,0,0,0|2,0,0]=3 141 B7R1.1 c1cnoc1CO AB28102 [1,0,0,0,0,0|1,0,0]=2 142 B7R1.1 c1cnsc1CCl AB70841 [1,0,0,0,0,0|2,1,0]=4 143 B7R1.1 c1cnsc1CN AB70840 [1,0,0,0,0,0|2,1,0]=4 144 B7R1.1 c1coc(n1)C=O AB14413 [1,0,0,0,0,0|1,0,2]=4 145 B7R1.1 c1coc(n1)CCl AB19278 [1,0,0,0,0,0|2,0,0]=3 146 B7R1.1 c1coc(n1)CN AB19275 [1,0,0,0,0,0|2,0,0]=3 147 B7R1.1 c1coc(n1)CN AB28202 [1,0,0,0,0,0|2,0,0]=3 148 B7R1.1 c1coc(n1)CO PB27948 [1,0,0,0,0,0|1,0,0]=2 149 B7R1.1 c1conc1CCl MB04274 [1,0,0,0,0,0|3,0,0]=4 150 B7R1.1 c1conc1CN PB24935 [1,0,0,0,0,0|3,0,0]=4 151 B7R1.1 c1conc1CO PB15902 [1,0,0,0,0,0|2,0,0]=3 152 B7R1.1 c1csc(n1)CCl AB42463 [1,0,0,0,0,0|2,1,0]=4 153 B7R1.1 c1csc(n1)CN MB03193 [1,0,0,0,0,0|2,1,0]=4 154 B7R1.1 c1csc(n1)CN PB20005 [1,0,0,0,0,0|2,1,0]=4 155 B7R1.1 c1cscc1CN AB13999 [1,0,0,0,0,0|3,0,0]=4 156 B7R1.1 c1cscc1CN PB12237 [1,0,0,0,0,0|3,0,0]=4 157 B7R1.1 c1cscc1CO PB10036 [1,0,0,0,0,0|2,0,0]=3 158 B7R1.1 c1csnc1CN PB23687 [1,0,0,0,0,0|3,0,0]=4 159 B7R1.1 c1nnc(o1)CCl AB08293 [1,0,0,0,0,0|3,0,0]=4 160 B7R1.1 c1nnc(o1)CN AB25336 [1,0,0,0,0,0|3,0,0]=4 161 B7R1.1 c1nnc(s1)CO PB21867 [1,0,0,0,0,0|2,1,0]=4 162 B7R1.2 CC1=NC(=O)N=C1 AB05017 [1,0,0,0,0,0|2,0,1]=4 163 B7R1.2 Cc1[nH]c(cn1)Cl AB58131 [1,0,0,0,0,0|3,0,0]=4 164 B7R1.2 Cc1[nH]cc(n1)Br AB14336 [1,0,0,0,0,0|3,0,0]=4 165 B7R1.2 Cc1[nH]cc(n1)N AB60590 [1,0,0,0,0,0|3,0,0]=4 166 B7R1.2 Cc1[nH]nc(n1)C PB23188 [1,0,0,0,0,0|3,0,0]=4 167 B7R1.2 Cc1cc(cs1)Br AB20690 [1,0,0,0,0,0|3,0,0]=4 168 B7R1.2 Cc1cc(sc1)C CB10250 [1,0,0,0,0,0|2,0,0]=3 169 B7R1.2 Cc1ccc(o1)Br AB64979 [1,0,0,0,0,0|1,0,0]=2 170 B7R1.2 Cc1ccn(n1)C PB27396 [1,0,0,0,0,0|2,0,0]=3 171 B7R1.2 Cc1cnc(o1)Br AB71573 [1,0,0,0,0,0|2,0,0]=3 172 B7R1.2 Cc1cnc(o1)C AB72158 [1,0,0,0,0,0|1,0,0]=2 173 B7R1.2 Cc1cnc(o1)Cl AB53091 [1,0,0,0,0,0|2,0,0]=3 174 B7R1.2 Cc1cnc(o1)N AB52683 [1,0,0,0,0,0|2,0,0]=3 175 B7R1.2 Cc1cnc(o1)O AB53086 [1,0,0,0,0,0|1,0,0]=2 176 B7R1.2 Cc1cnc(s1)Br AB45716 [1,0,0,0,0,0|2,1,0]=4 177 B7R1.2 Cc1cnc(s1)Cl AB13892 [1,0,0,0,0,0|2,1,0]=4 178 B7R1.2 Cc1cnc(s1)N AB03001 [1,0,0,0,0,0|2,1,0]=4 179 B7R1.2 Cc1cnc(s1)O AB53102 [1,0,0,0,0,0|1,1,0]=3 180 B7R1.2 Cc1coc(n1)Br AB68303 [1,0,0,0,0,0|3,0,0]=4 181 B7R1.2 Cc1coc(n1)Cl AB68302 [1,0,0,0,0,0|3,0,0]=4 182 B7R1.2 Cc1coc(n1)N PB17112 [1,0,0,0,0,0|3,0,0]=4 183 B7R1.2 Cc1csc(n1)Br PB26224 [1,0,0,0,0,0|3,0,0]=4 184 B7R1.2 Cc1csc(n1)N AB00403 [1,0,0,0,0,0|3,0,0]=4 185 B7R1.2 Cc1nc(co1)N MB11373 [1,0,0,0,0,0|3,0,0]=4 186 B7R1.2 Cc1nc(cs1)Br AB23819 [1,0,0,0,0,0|3,0,0]=4 187 B7R1.2 Cc1nc(on1)C AB44073 [1,0,0,0,0,0|3,0,0]=4 188 B7R1.2 Cc1nc(on1)O AB50309 [1,0,0,0,0,0|3,0,0]=4 189 B7R1.2 Cc1ncc(o1)N MB11377 [1,0,0,0,0,0|2,0,0]=3 190 B7R1.2 Cc1ncc(s1)Br AB54339 [1,0,0,0,0,0|2,1,0]=4 191 B7R1.2 Cc1nnc(o1)N PB23353 [1,0,0,0,0,0|3,0,0]=4 192 B7R1.2 Cn1ccc(c1)Br AB63663 [1,0,0,0,0,0|3,0,0]=4 193 B7R1.2 Cn1ccc(n1)Br PB19136 [1,0,0,0,0,0|3,0,0]=4 194 B7R1.2 Cn1ccc(n1)I PB26365 [1,0,0,0,0,0|3,0,0]=4 195 B7R1.2 Cn1ccc(n1)N PB12171 [1,0,0,0,0,0|3,0,0]=4 196 B9R1.7 Cc1[nH]c(cn1)CCN AB76713 [0,1,0,0,0,0|3,0,0]=4 197 B9R1.7 Cc1coc(n1)CNC AB70150 [0,1,0,0,0,0|3,0,0]=4 198 B9R1.7 Cc1csc(n1)CCN AB21609 [0,1,0,0,0,0|3,0,0]=4 199 B9R1.7 Cc1nc(cs1)CNC AB28276 [0,1,0,0,0,0|3,0,0]=4 200 B9R1.7 Cc1nnc(o1)CCN AB54542 [0,1,0,0,0,0|3,0,0]=4 201 B9R1.7 c1cc(sc1CCN)Br AB18531 [0,1,0,0,0,0|2,1,0]=4 202 B9R1.7 c1cc(sc1CCN)Cl MB05588 [0,1,0,0,0,0|2,1,0]=4 203 B9R1.7 c1cc(sc1CNN)Cl PB15933 [0,1,0,0,0,0|2,1,0]=4 204 B9R1.21 CCc1nnc(o1)CCl AB43154 [0,1,0,0,0,0|3,0,0]=4 205 B9R1.21 CCc1nnc(o1)CN AB54535 [0,1,0,0,0,0|3,0,0]=4 206 B9R1.21 CSc1[nH]c(cn1)CCl AB56998 [0,1,0,0,0,0|3,0,0]=4 207 B9R1.21 c1c(nc(o1)CCl)CCl AB71577 [0,1,0,0,0,0|3,0,0]=4 208 B9R1.21 c1c(nc(o1)CO)CCl AB71580 [0,1,0,0,0,0|2,0,0]=3 209 B9R1.21 c1cc(oc1C=O)C#N AB44041 [0,1,0,0,0,0|0,0,3]=4 210 B9R1.21 c1cc(oc1CO)C#N AB44038 [0,1,0,0,0,0|0,0,1]=2 211 B9R1.21 c1cc(sc1CBr)C#N AB44189 [0,1,0,0,0,0|1,1,1]=4 212 B9R1.21 c1cc(sc1CCl)C#N AB72609 [0,1,0,0,0,0|1,1,1]=4 213 B9R1.21 c1cc(sc1CN)C#N AB45511 [0,1,0,0,0,0|1,1,1]=4 214 B9R1.22 Cc1c(cn(n1)C)CO AB11625 [0,1,0,0,0,0|3,0,0]=4 215 B9R1.22 Cc1c(nc(s1)C)CO AB62860 [0,1,0,0,0,0|2,0,0]=3 216 B9R1.22 Cc1c(oc(n1)C)C=O AB27656 [0,1,0,0,0,0|1,0,2]=4 217 B9R1.22 Cc1c(oc(n1)C)CO MB08849 [0,1,0,0,0,0|1,0,0]=2 218 B9R1.22 Cc1c(oc(n1)Cl)CCl AB71592 [0,1,0,0,0,0|3,0,0]=4 219 B9R1.22 Cc1c(oc(n1)Cl)CN AB72279 [0,1,0,0,0,0|3,0,0]=4 220 B9R1.22 Cc1c(sc(n1)C)CN MB08333 [0,1,0,0,0,0|2,1,0]=4 221 B9R1.22 Cc1cc(c(s1)C#N)N AB48292 [0,1,0,0,0,0|1,1,1]=4 222 B9R1.22 Cc1cc(n(n1)C)CO PB29211 [0,1,0,0,0,0|3,0,0]=4 223 B9R1.22 Cc1cn(c(n1)CO)C AB63450 [0,1,0,0,0,0|2,0,0]=3 224 B9R1.22 Cc1cn(nc1CO)C AB63452 [0,1,0,0,0,0|2,0,0]=3 225 B9R1.23 CCn1cc(c(n1)C)N PB30766 [0,1,0,0,0,0|3,0,0]=4 226 B9R1.23 Cc1c(oc(n1)NC)C AB65970 [0,1,0,0,0,0|3,0,0]=4 227 B9R1.23 Cc1cc(nn1C)CCl PB14522 [0,1,0,0,0,0|3,0,0]=4 228 B9R1.23 Cc1cc(nn1C)CN PB29261 [0,1,0,0,0,0|3,0,0]=4 229 B9R1.23 Cc1cc(nn1C)CO PB29273 [0,1,0,0,0,0|2,0,0]=3 230 B9R1.23 Cc1cc(sc1C)CN AB72614 [0,1,0,0,0,0|1,1,0]=3 231 B9R1.35 B(C1=CN=C(C1)C)(O)O MB18086 [0,1,0,0,0,0|3,0,0]=4 232 B9R1.35 B(c1cc(co1)C)(O)O AB08042 [0,1,0,0,0,0|3,0,0]=4 233 B9R1.35 B(c1cc(cs1)C)(O)O AB08861 [0,1,0,0,0,0|3,0,0]=4 234 B9R1.35 B(c1cc(sc1)C)(O)O AB72596 [0,1,0,0,0,0|3,0,0]=4 235 B9R1.35 B(c1ccc(o1)C)(O)O AB08313 [0,1,0,0,0,0|1,0,0]=2 236 B9R1.35 B(c1ccc(s1)Br)(O)O AB10878 [0,1,0,0,0,0|2,1,0]=4 237 B9R1.35 B(c1ccc(s1)C)(O)O PB21738 [0,1,0,0,0,0|1,1,0]=3 238 B9R1.35 B(c1ccc(s1)Cl)(O)O AB05338 [0,1,0,0,0,0|2,1,0]=4 239 B9R1.35 B(c1ccn(c1)C)(O)O AB71597 [0,1,0,0,0,0|3,0,0]=4 240 B9R1.35 B(c1csc(n1)C)(O)O AB54189 [0,1,0,0,0,0|3,0,0]=4 241 B9R1.35 CC(=O)c1ccc(o1)Br AB25597 [0,1,0,0,0,0|1,0,2]=4 242 B9R1.35 CC(C)c1cnc(o1)Cl AB68315 [0,1,0,0,0,0|3,0,0]=4 243 B9R1.35 CC(C)c1cnc(o1)N AB64703 [0,1,0,0,0,0|3,0,0]=4 244 B9R1.35 CC(c1cc(sc1)Cl)O PB23084 [0,1,0,0,0,0|3,0,0]=4 245 B9R1.35 CC(c1cn(cn1)C)O PB34949 [0,1,0,0,0,0|3,0,0]=4 246 B9R1.35 Cc1[nH]c(cn1)C(=O)O AB05025 [0,1,0,0,0,0|2,0,1]=4 247 B9R1.35 Cc1[nH]c(cn1)C(C)N AB58094 [0,1,0,0,0,0|3,0,0]=4 248 B9R1.35 Cc1[nH]cc(n1)C(C)C AB24901 [0,1,0,0,0,0|3,0,0]=4 249 B9R1.35 Cc1cc(cs1)C(=O)O PB14265 [0,1,0,0,0,0|2,0,1]=4 250 B9R1.35 Cc1cc(sc1)C(=O)O PB14117 [0,1,0,0,0,0|2,0,1]=4 251 B9R1.35 Cc1ccc(s1)C(=O)C AB01148 [0,1,0,0,0,0|0,1,2]=4 252 B9R1.35 Cc1ccc(s1)C(=O)O AB00425 [0,1,0,0,0,0|0,1,1]=3 253 B9R1.35 Cc1cnc(o1)C(=O)O AB53258 [0,1,0,0,0,0|1,0,1]=3 254 B9R1.35 Cc1cnc(s1)C(=O)O AB43204 [0,1,0,0,0,0|1,1,1]=4 255 B9R1.35 Cc1coc(n1)C(=O)O PB31618 [0,1,0,0,0,0|2,0,1]=4 256 B9R1.35 Cc1csc(n1)C(=O)O PB26270 [0,1,0,0,0,0|2,0,1]=4 257 B9R1.35 Cc1csc(n1)[C@H](C)N AB68276 [0,1,0,0,0,0|3,0,0]=4 258 B9R1.35 Cc1nc(co1)C(=O)O AB05124 [0,1,0,0,0,0|2,0,1]=4 259 B9R1.35 Cc1nc(cs1)C(=O)O AB14027 [0,1,0,0,0,0|2,0,1]=4 260 B9R1.35 Cc1nc(cs1)C(C)N AB28273 [0,1,0,0,0,0|3,0,0]=4 261 B9R1.35 Cc1ncc(s1)C(=O)O PB12949 [0,1,0,0,0,0|1,1,1]=4 262 B9R1.35 Cn1ccc(n1)C(=O)O PB29090 [0,1,0,0,0,0|2,0,1]=4 263 B9R1.35 c1cc(sc1C(=O)O)Br PB21666 [0,1,0,0,0,0|1,1,1]=4 264 B9R1.35 c1cc(sc1C(=O)O)Cl PB12047 [0,1,0,0,0,0|1,1,1]=4 265 B9R1.35 c1cc(sc1C(=O)O)F PB22097 [0,1,0,0,0,0|1,1,1]=4 266 B9R1.35 c1cc(sc1C(=O)O)N MB07244 [0,1,0,0,0,0|1,1,1]=4 267 B9R1.132 Cc1cnc(n1C)CCl AB70176 [0,1,0,0,0,0|3,0,0]=4 268 B9R1.132 Cc1cnc(n1C)CN AB70180 [0,1,0,0,0,0|3,0,0]=4 269 B9R1.132 Cn1c(cnc1Br)CO AB39257 [0,1,0,0,0,0|3,0,0]=4 270 B9R1.132 Cn1c(cnc1N)CO AB27795 [0,1,0,0,0,0|3,0,0]=4 271 B9R1.132 Cn1c(cnc1S)CO AB04871 [0,1,0,0,0,0|3,0,0]=4 272 B9R1.1 CCc1ccc(cn1)N AB63590 [0,0,0,0,0,1|3,0,0]=4 273 B9R1.1 CCc1ccc(cn1)O MB03842 [0,0,0,0,0,1|3,0,0]=4 274 B9R1.1 CCc1ccc(nc1)Br MB10294 [0,0,0,0,0,1|3,0,0]=4 275 B9R1.1 Cc1ccc(cn1)C#N PB30561 [0,0,0,0,0,1|2,0,1]=4 276 B9R1.1 Cc1ccc(cn1)C=C PB17233 [0,0,0,0,0,1|2,0,1]=4 277 B9R1.1 Cc1ccc(cn1)C=O PB17503 [0,0,0,0,0,1|1,0,2]=4 278 B9R1.1 Cc1ccc(cn1)CCl AB59938 [0,0,0,0,0,1|2,0,0]=3 279 B9R1.1 Cc1ccc(cn1)CN PB20145 [0,0,0,0,0,1|2,0,0]=3 280 B9R1.1 Cc1ccc(cn1)NN PB15841 [0,0,0,0,0,1|3,0,0]=4 281 B9R1.1 Cc1ccc(cn1)OC AB52739 [0,0,0,0,0,1|3,0,0]=4 282 B9R1.1 Cc1ccc(nc1)C=O AB31466 [0,0,0,0,0,1|1,0,2]=4 283 B9R1.1 Cc1ccc(nc1)CCl AB59994 [0,0,0,0,0,1|2,0,0]=3 284 B9R1.1 Cc1ccc(nc1)CN AB48926 [0,0,0,0,0,1|2,0,0]=3 285 B9R1.1 Cc1ccc(nn1)C#N PB21293 [0,0,0,0,0,1|2,0,1]=4 286 B9R1.1 Cc1ccc(nn1)C=O AB44106 [0,0,0,0,0,1|1,0,2]=4 287 B9R1.1 Cc1ccc(nn1)CN PB19500 [0,0,0,0,0,1|2,0,0]=3 288 B9R1.1 Cc1ccc(nn1)CO AB44109 [0,0,0,0,0,1|1,0,0]=2 289 B9R1.1 Cc1ccc(nn1)NN AB02752 [0,0,0,0,0,1|3,0,0]=4 290 B9R1.1 Cc1ccc(nn1)OC AB51434 [0,0,0,0,0,1|3,0,0]=4 291 B9R1.1 Cc1cnc(cn1)CCl PB10823 [0,0,0,0,0,1|3,0,0]=4 292 B9R1.1 Cc1cnc(cn1)CN PB33936 [0,0,0,0,0,1|3,0,0]=4 293 B9R1.1 Cc1cnc(nc1)CCl PB19771 [0,0,0,0,0,1|3,0,0]=4 294 B9R1.1 Cc1cnc(nc1)CCl PB31488 [0,0,0,0,0,1|3,0,0]=4 295 B9R1.1 Cc1cnc(nc1)CN PB22419 [0,0,0,0,0,1|3,0,0]=4 296 B9R1.1 Cc1cnc(nc1)CO PB23808 [0,0,0,0,0,1|2,0,0]=3 297 B9R1.1 Cc1ncc(cn1)CCl PB22329 [0,0,0,0,0,1|3,0,0]=4 298 B9R1.1 Cc1ncc(cn1)CN PB14812 [0,0,0,0,0,1|3,0,0]=4 299 B9R1.1 Cc1ncc(cn1)CO PB17615 [0,0,0,0,0,1|2,0,0]=3 300 B9R1.1 c1c(cnc(n1)CO)Br PB16639 [0,0,0,0,0,1|3,0,0]=4 301 B9R1.1 c1c(cnc(n1)CO)Cl PB28152 [0,0,0,0,0,1|3,0,0]=4 302 B9R1.1 c1c(cnc(n1)CO)F PB28593 [0,0,0,0,0,1|3,0,0]=4 303 B9R1.1 c1c(cnc(n1)Cl)CO PB18163 [0,0,0,0,0,1|3,0,0]=4 304 B9R1.1 c1c(cnc(n1)N)CO PB23785 [0,0,0,0,0,1|3,0,0]=4 305 B9R1.1 c1c(cnc(n1)O)CO AB63514 [0,0,0,0,0,1|3,0,0]=4 306 B9R1.1 c1c(ncc(n1)Br)CO MB14059 [0,0,0,0,0,1|3,0,0]=4 307 B9R1.1 c1c(ncc(n1)Cl)CO PB20569 [0,0,0,0,0,1|3,0,0]=4 308 B9R1.1 c1cc(ccc1CBr)Br AB00113 [0,0,0,0,0,1|3,0,0]=4 309 B9R1.1 c1cc(ccc1CBr)Cl AB01810 [0,0,0,0,0,1|3,0,0]=4 310 B9R1.1 c1cc(ccc1CI)O MB06957 [0,0,0,0,0,1|3,0,0]=4 311 B9R1.1 c1cc(ccc1CN)O AB11678 [0,0,0,0,0,1|3,0,0]=4 312 B9R1.1 c1cc(ncc1Br)CCl AB60010 [0,0,0,0,0,1|3,0,0]=4 313 B9R1.1 c1cc(ncc1Br)CN AB23456 [0,0,0,0,0,1|3,0,0]=4 314 B9R1.1 c1cc(ncc1Br)CO AB66533 [0,0,0,0,0,1|2,0,0]=3 315 B9R1.1 c1cc(ncc1Br)CO PB18645 [0,0,0,0,0,1|2,0,0]=3 316 B9R1.1 c1cc(ncc1CBr)F PB28287 [0,0,0,0,0,1|3,0,0]=4 317 B9R1.1 c1cc(ncc1CCl)Br AB59933 [0,0,0,0,0,1|3,0,0]=4 318 B9R1.1 c1cc(ncc1CCl)Cl AB03513 [0,0,0,0,0,1|3,0,0]=4 319 B9R1.1 c1cc(ncc1CCl)Cl AB59950 [0,0,0,0,0,1|3,0,0]=4 320 B9R1.1 c1cc(ncc1CCl)F PB13291 [0,0,0,0,0,1|3,0,0]=4 321 B9R1.1 c1cc(ncc1CCl)N AB59930 [0,0,0,0,0,1|3,0,0]=4 322 B9R1.1 c1cc(ncc1CN)Br AB27793 [0,0,0,0,0,1|3,0,0]=4 323 B9R1.1 c1cc(ncc1CN)Cl PB17175 [0,0,0,0,0,1|3,0,0]=4 324 B9R1.1 c1cc(ncc1CN)F PB19133 [0,0,0,0,0,1|3,0,0]=4 325 B9R1.1 c1cc(ncc1CO)Br PB14409 [0,0,0,0,0,1|2,0,0]=3 326 B9R1.1 c1cc(ncc1CO)Cl PB17199 [0,0,0,0,0,1|2,0,0]=3 327 B9R1.1 c1cc(ncc1CO)F PB14327 [0,0,0,0,0,1|2,0,0]=3 328 B9R1.1 c1cc(ncc1CO)N PB26211 [0,0,0,0,0,1|2,0,0]=3 329 B9R1.1 c1cc(ncc1Cl)CCl PB17759 [0,0,0,0,0,1|3,0,0]=4 330 B9R1.1 c1cc(ncc1Cl)CN AB60187 [0,0,0,0,0,1|3,0,0]=4 331 B9R1.1 c1cc(ncc1Cl)CO AB56068 [0,0,0,0,0,1|2,0,0]=3 332 B9R1.1 c1cc(ncc1F)CCl AB62501 [0,0,0,0,0,1|3,0,0]=4 333 B9R1.1 c1cc(ncc1F)CN AB60189 [0,0,0,0,0,1|3,0,0]=4 334 B9R1.1 c1cc(ncc1F)CO PB22210 [0,0,0,0,0,1|2,0,0]=3 335 B9R1.1 c1cc(ncc1N)CN AB23447 [0,0,0,0,0,1|3,0,0]=4 336 B9R1.1 c1cc(ncc1N)CO AB31872 [0,0,0,0,0,1|2,0,0]=3 337 B9R1.1 c1cc(ncc1O)CN MB14856 [0,0,0,0,0,1|3,0,0]=4 338 B9R1.1 c1cc(nnc1CCl)Cl PB13303 [0,0,0,0,0,1|3,0,0]=4 339 B9R1.1 c1cc(nnc1CN)Cl AB61132 [0,0,0,0,0,1|3,0,0]=4 340 B9R1.1 c1cc(nnc1CO)Cl PB17910 [0,0,0,0,0,1|2,0,0]=3 341 B9R1.2 C1C(=CC=NC1=O)CCl AB59907 [0,0,0,0,0,1|3,0,0]=4 342 B9R1.2 C1C(=CC=NC1=O)CN PB31062 [0,0,0,0,0,1|3,0,0]=4 343 B9R1.2 C1C(=CC=NC1=O)CO PB31863 [0,0,0,0,0,1|2,0,0]=3 344 B9R1.2 CCc1cc(ccn1)Br AB63995 [0,0,0,0,0,1|3,0,0]=4 345 B9R1.2 CCc1cc(ccn1)O MB11624 [0,0,0,0,0,1|3,0,0]=4 346 B9R1.2 CCc1cc(cnc1)Br PB34416 [0,0,0,0,0,1|3,0,0]=4 347 B9R1.2 CCc1cc(cnc1)O MB12329 [0,0,0,0,0,1|3,0,0]=4 348 B9R1.2 CCc1cccc(n1)Br MB10338 [0,0,0,0,0,1|3,0,0]=4 349 B9R1.2 CCc1nccc(n1)Cl AB51249 [0,0,0,0,0,1|3,0,0]=4 350 B9R1.2 Cc1cc(ccn1)C#C AB66571 [0,0,0,0,0,1|2,0,1]=4 351 B9R1.2 Cc1cc(ccn1)C=O AB24827 [0,0,0,0,0,1|1,0,2]=4 352 B9R1.2 Cc1cc(ccn1)CCl AB59910 [0,0,0,0,0,1|2,0,0]=3 353 B9R1.2 Cc1cc(ccn1)CN AB25370 [0,0,0,0,0,1|2,0,0]=3 354 B9R1.2 Cc1cc(cnc1)C=O PB18860 [0,0,0,0,0,1|1,0,2]=4 355 B9R1.2 Cc1cc(cnc1)CCl AB55820 [0,0,0,0,0,1|2,0,0]=3 356 B9R1.2 Cc1cc(cnc1)CN AB23459 [0,0,0,0,0,1|2,0,0]=3 357 B9R1.2 Cc1cc(cnc1)CO PB10532 [0,0,0,0,0,1|1,0,0]=2 358 B9R1.2 Cc1cc(cnc1)OC AB64998 [0,0,0,0,0,1|3,0,0]=4 359 B9R1.2 Cc1cc(ncn1)CO PB11190 [0,0,0,0,0,1|2,0,0]=3 360 B9R1.2 Cc1cc(nnc1)CN PB37868 [0,0,0,0,0,1|3,0,0]=4 361 B9R1.2 Cc1cccc(n1)C#N AB04512 [0,0,0,0,0,1|2,0,1]=4 362 B9R1.2 Cc1cccc(n1)C=O AB00683 [0,0,0,0,0,1|1,0,2]=4 363 B9R1.2 Cc1cccc(n1)CCl AB49651 [0,0,0,0,0,1|2,0,0]=3 364 B9R1.2 Cc1cccc(n1)CN AB22796 [0,0,0,0,0,1|2,0,0]=3 365 B9R1.2 Cc1cccc(n1)NC AB60602 [0,0,0,0,0,1|3,0,0]=4 366 B9R1.2 Cc1ccnc(c1)C#C AB66576 [0,0,0,0,0,1|2,0,1]=4 367 B9R1.2 Cc1ccnc(c1)C#N AB03610 [0,0,0,0,0,1|2,0,1]=4 368 B9R1.2 Cc1ccnc(c1)CCl AB42303 [0,0,0,0,0,1|2,0,0]=3 369 B9R1.2 Cc1ccnc(c1)CN AB23452 [0,0,0,0,0,1|2,0,0]=3 370 B9R1.2 Cc1ccnc(n1)C#C AB69142 [0,0,0,0,0,1|2,0,1]=4 371 B9R1.2 Cc1ccnc(n1)C#N PB33166 [0,0,0,0,0,1|2,0,1]=4 372 B9R1.2 Cc1ccnc(n1)C=O PB28177 [0,0,0,0,0,1|1,0,2]=4 373 B9R1.2 Cc1ccnc(n1)CCl PB25297 [0,0,0,0,0,1|2,0,0]=3 374 B9R1.2 Cc1ccnc(n1)CN PB16292 [0,0,0,0,0,1|2,0,0]=3 375 B9R1.2 Cc1ccnc(n1)CO PB24151 [0,0,0,0,0,1|1,0,0]=2 376 B9R1.2 Cc1cncc(n1)C=O AB62637 [0,0,0,0,0,1|1,0,2]=4 377 B9R1.2 Cc1cncc(n1)CCl AB60498 [0,0,0,0,0,1|2,0,0]=3 378 B9R1.2 Cc1cncc(n1)CN AB72296 [0,0,0,0,0,1|2,0,0]=3 379 B9R1.2 Cc1nccc(n1)C=O AB52721 [0,0,0,0,0,1|1,0,2]=4 380 B9R1.2 Cc1nccc(n1)CCl AB58939 [0,0,0,0,0,1|2,0,0]=3 381 B9R1.2 Cc1nccc(n1)CN AB43194 [0,0,0,0,0,1|2,0,0]=3 382 B9R1.2 c1c(cncc1Br)CCl AB60029 [0,0,0,0,0,1|3,0,0]=4 383 B9R1.2 c1c(cncc1Br)CCl PB25120 [0,0,0,0,0,1|3,0,0]=4 384 B9R1.2 c1c(cncc1Br)CN PB23445 [0,0,0,0,0,1|3,0,0]=4 385 B9R1.2 c1c(cncc1Br)CO PB29242 [0,0,0,0,0,1|2,0,0]=3 386 B9R1.2 c1c(cncc1Cl)CCl AB60038 [0,0,0,0,0,1|3,0,0]=4 387 B9R1.2 c1c(cncc1Cl)CCl PB33259 [0,0,0,0,0,1|3,0,0]=4 388 B9R1.2 c1c(cncc1Cl)CN AB63152 [0,0,0,0,0,1|3,0,0]=4 389 B9R1.2 c1c(cncc1F)CCl PB35002 [0,0,0,0,0,1|3,0,0]=4 390 B9R1.2 c1c(cncc1F)CN PB29533 [0,0,0,0,0,1|3,0,0]=4 391 B9R1.2 c1c(cncc1F)CO PB12255 [0,0,0,0,0,1|2,0,0]=3 392 B9R1.2 c1c(cncc1I)CCl AB45545 [0,0,0,0,0,1|3,0,0]=4 393 B9R1.2 c1c(cncc1I)CO AB45541 [0,0,0,0,0,1|2,0,0]=3 394 B9R1.2 c1c(cncc1N)CN AB31384 [0,0,0,0,0,1|3,0,0]=4 395 B9R1.2 c1c(cncc1N)CO AB31625 [0,0,0,0,0,1|2,0,0]=3 396 B9R1.2 c1c(cncc1O)CN MB28837 [0,0,0,0,0,1|3,0,0]=4 397 B9R1.2 c1c(nc(cn1)Br)CCl AB69950 [0,0,0,0,0,1|3,0,0]=4 398 B9R1.2 c1c(nc(cn1)Br)CO MB14063 [0,0,0,0,0,1|2,0,0]=3 399 B9R1.2 c1c(nc(cn1)Cl)CCl AB69949 [0,0,0,0,0,1|3,0,0]=4 400 B9R1.2 c1c(nc(cn1)Cl)CN PB19729 [0,0,0,0,0,1|3,0,0]=4 401 B9R1.2 c1c(nc(cn1)Cl)CO PB11152 [0,0,0,0,0,1|2,0,0]=3 402 B9R1.2 c1c(ncnc1Cl)CO PB11446 [0,0,0,0,0,1|3,0,0]=4 403 B9R1.2 c1cc(cc(c1)Br)CBr AB00107 [0,0,0,0,0,1|3,0,0]=4 404 B9R1.2 c1cc(cc(c1)O)CBr MB05606 [0,0,0,0,0,1|3,0,0]=4 405 B9R1.2 c1cc(nc(c1)Br)CCl AB59969 [0,0,0,0,0,1|3,0,0]=4 406 B9R1.2 c1cc(nc(c1)Br)CCl AB59992 [0,0,0,0,0,1|3,0,0]=4 407 B9R1.2 c1cc(nc(c1)Br)CN AB31432 [0,0,0,0,0,1|3,0,0]=4 408 B9R1.2 c1cc(nc(c1)Br)CO PB29304 [0,0,0,0,0,1|2,0,0]=3 409 B9R1.2 c1cc(nc(c1)Cl)CCl AB42311 [0,0,0,0,0,1|3,0,0]=4 410 B9R1.2 c1cc(nc(c1)Cl)CN AB62988 [0,0,0,0,0,1|3,0,0]=4 411 B9R1.2 c1cc(nc(c1)Cl)CO AB42312 [0,0,0,0,0,1|2,0,0]=3 412 B9R1.2 c1cc(nc(c1)F)CCl AB42316 [0,0,0,0,0,1|3,0,0]=4 413 B9R1.2 c1cc(nc(c1)F)CN AB66365 [0,0,0,0,0,1|3,0,0]=4 414 B9R1.2 c1cc(nc(c1)I)CO AB42511 [0,0,0,0,0,1|2,0,0]=3 415 B9R1.2 c1cc(nc(c1)N)CO AB53761 [0,0,0,0,0,1|2,0,0]=3 416 B9R1.2 c1cnc(cc1Br)CCl AB67964 [0,0,0,0,0,1|3,0,0]=4 417 B9R1.2 c1cnc(cc1Br)CN PB17414 [0,0,0,0,0,1|3,0,0]=4 418 B9R1.2 c1cnc(cc1Br)CO PB31388 [0,0,0,0,0,1|2,0,0]=3 419 B9R1.2 c1cnc(cc1CCl)Br AB65254 [0,0,0,0,0,1|3,0,0]=4 420 B9R1.2 c1cnc(cc1CCl)Cl AB55687 [0,0,0,0,0,1|3,0,0]=4 421 B9R1.2 c1cnc(cc1CCl)Cl AB59906 [0,0,0,0,0,1|3,0,0]=4 422 B9R1.2 c1cnc(cc1CCl)F AB59901 [0,0,0,0,0,1|3,0,0]=4 423 B9R1.2 c1cnc(cc1CN)Br AB31307 [0,0,0,0,0,1|3,0,0]=4 424 B9R1.2 c1cnc(cc1CN)Cl PB15828 [0,0,0,0,0,1|3,0,0]=4 425 B9R1.2 c1cnc(cc1CN)F AB63132 [0,0,0,0,0,1|3,0,0]=4 426 B9R1.2 c1cnc(cc1CN)F AB63135 [0,0,0,0,0,1|3,0,0]=4 427 B9R1.2 c1cnc(cc1CN)N AB23468 [0,0,0,0,0,1|3,0,0]=4 428 B9R1.2 c1cnc(cc1CO)Br AB17330 [0,0,0,0,0,1|2,0,0]=3 429 B9R1.2 c1cnc(cc1CO)Cl PB21002 [0,0,0,0,0,1|2,0,0]=3 430 B9R1.2 c1cnc(cc1CO)N PB33706 [0,0,0,0,0,1|2,0,0]=3 431 B9R1.2 c1cnc(cc1Cl)CCl AB42295 [0,0,0,0,0,1|3,0,0]=4 432 B9R1.2 c1cnc(cc1Cl)CCl MB05829 [0,0,0,0,0,1|3,0,0]=4 433 B9R1.2 c1cnc(cc1Cl)CN PB27784 [0,0,0,0,0,1|3,0,0]=4 434 B9R1.2 c1cnc(cc1Cl)CO PB23493 [0,0,0,0,0,1|2,0,0]=3 435 B9R1.2 c1cnc(cc1F)CCl AB68051 [0,0,0,0,0,1|3,0,0]=4 436 B9R1.2 c1cnc(cc1F)CN AB65162 [0,0,0,0,0,1|3,0,0]=4 437 B9R1.2 c1cnc(cc1O)CN MB14853 [0,0,0,0,0,1|3,0,0]=4 438 B9R1.2 c1cnc(nc1CCl)Cl AB58935 [0,0,0,0,0,1|3,0,0]=4 439 B9R1.2 c1cnc(nc1CN)Cl AB58851 [0,0,0,0,0,1|3,0,0]=4 440 B9R1.2 c1cnc(nc1CN)O PB23029 [0,0,0,0,0,1|3,0,0]=4 441 B9R1.2 c1cnc(nc1Cl)CCl AB59104 [0,0,0,0,0,1|3,0,0]=4 442 B9R1.2 c1cnc(nc1Cl)CN AB05129 [0,0,0,0,0,1|3,0,0]=4 443 B9R1.2 c1cnc(nc1Cl)CO AB64233 [0,0,0,0,0,1|2,0,0]=3 444 B9R1.2 c1cnc(nc1N)CCl AB59419 [0,0,0,0,0,1|3,0,0]=4 445 B9R1.2 c1cnc(nc1N)CN AB62661 [0,0,0,0,0,1|3,0,0]=4 446 B9R1.2 c1cnc(nc1O)CCl AB59397 [0,0,0,0,0,1|3,0,0]=4 447 B9R1.2 c1cnc(nc1O)CN AB63186 [0,0,0,0,0,1|3,0,0]=4 448 B6R0.1 CCOC(=N)CO AB60920 [1,0,1,0,0,0|1,0,1]=4 449 B6R0.4 CC(=O)\C=C\OC AB00959 [1,0,1,0,0,0|1,0,1]=4 450 B6R1.2 CC1=CCCO1 AB00300 [2,0,0,0,0,0|0,0,2]=4 451 B6R1.2 CC1=CN=CC1 PB12076 [2,0,0,0,0,0|2,0,0]=4 452 B6R1.2 CC1=NC=CC1 AB12705 [2,0,0,0,0,0|1,0,1]=4 453 B6R1.2 Cc1ccon1 AB01288 [2,0,0,0,0,0|2,0,0]=4 454 B6R1.2 Cc1cocn1 AB63545 [2,0,0,0,0,0|2,0,0]=4 455 B6R1.2 Cn1cccn1 PB33818 [2,0,0,0,0,0|2,0,0]=4 456 B6R1.2 c1c(ocn1)Br AB68491 [2,0,0,0,0,0|2,0,0]=4 457 B6R1.2 c1c(ocn1)N MB10132 [2,0,0,0,0,0|2,0,0]=4 458 B6R1.2 c1cc(oc1)Br AB04890 [2,0,0,0,0,0|1,0,0]=3 459 B6R1.2 c1cc(sc1)N AB08372 [2,0,0,0,0,0|1,1,0]=4 460 B6R1.2 c1cnoc1N MB00706 [2,0,0,0,0,0|2,0,0]=4 461 B6R1.2 c1coc(n1)Br AB53255 [2,0,0,0,0,0|2,0,0]=4 462 B6R1.2 c1coc(n1)I PB15201 [2,0,0,0,0,0|2,0,0]=4 463 B6R1.2 c1coc(n1)N MB04324 [2,0,0,0,0,0|2,0,0]=4 464 B6R1.2 c1conc1O MB20248 [2,0,0,0,0,0|2,0,0]=4 465 B6R1.2 c1csc(n1)O AB10887 [2,0,0,0,0,0|1,1,0]=4 466 B8R1.7 B(c1ccc[se]1)(O)O AB08878 [1,1,0,0,0,0|1,1,0]=4 467 B8R1.7 B(c1ccco1)(O)O AB07247 [1,1,0,0,0,0|1,0,0]=3 468 B8R1.7 B(c1cccs1)(O)O AB04002 [1,1,0,0,0,0|1,1,0]=4 469 B8R1.7 CC(c1ccno1)N AB27932 [1,1,0,0,0,0|2,0,0]=4 470 B8R1.7 c1c(ocn1)C(=O)O AB19293 [1,1,0,0,0,0|1,0,1]=4 471 B8R1.7 c1cc(oc1)C(=N)N AB07706 [1,1,0,0,0,0|1,0,1]=4 472 B8R1.7 c1coc(n1)C(=O)O AB19305 [1,1,0,0,0,0|1,0,1]=4 473 B8R1.7 c1coc(n1)C(Cl)Cl AB21330 [1,1,0,0,0,0|2,0,0]=4 474 B8R1.8 CNCc1cccs1 AB13997 [1,1,0,0,0,0|1,1,0]=4 475 B8R1.8 CNCc1ccno1 AB27949 [1,1,0,0,0,0|2,0,0]=4 476 B8R1.8 COCc1[nH]ccn1 PB20902 [1,1,0,0,0,0|2,0,0]=4 477 B8R1.8 c1cc(oc1)N=C=O AB53758 [1,1,0,0,0,0|0,0,2]=4 478 B8R1.8 c1cc(sc1)CCN PB12982 [1,1,0,0,0,0|1,1,0]=4 479 B8R1.8 c1cc(sc1)CCO PB32074 [1,1,0,0,0,0|0,1,0]=3 480 B8R1.8 c1cc(sc1)CNN PB12479 [1,1,0,0,0,0|1,1,0]=4 481 B8R1.8 c1coc(n1)CC=O AB57661 [1,1,0,0,0,0|1,0,1]=4 482 B8R1.8 c1cscc1CCO PB25903 [1,1,0,0,0,0|2,0,0]=4 483 B8R1.11 Cc1c(ncs1)CO AB44114 [1,1,0,0,0,0|2,0,0]=4 484 B8R1.11 Cc1c(ocn1)CCl MB08890 [1,1,0,0,0,0|2,0,0]=4 485 B8R1.11 Cc1c(ocn1)CO MB03682 [1,1,0,0,0,0|1,0,0]=3 486 B8R1.11 Cn1c(ccn1)CO PB14601 [1,1,0,0,0,0|2,0,0]=4 487 B8R1.11 Cn1cncc1CO PB17276 [1,1,0,0,0,0|2,0,0]=4 488 B8R1.11 c1coc(c1Br)C=O AB31934 [1,1,0,0,0,0|0,0,2]=4 489 B8R1.11 c1csc(c1Br)CN PB34113 [1,1,0,0,0,0|1,1,0]=4 490 B8R1.11 c1csc(c1Br)CO PB27714 [1,1,0,0,0,0|0,1,0]=3 491 B8R1.11 c1csc(c1Cl)CN PB11803 [1,1,0,0,0,0|1,1,0]=4 492 B8R1.11 c1csc(c1Cl)CO PB23440 [1,1,0,0,0,0|0,1,0]=3 493 B8R1.18 Cc1c(cc(s1)Br)Br MB04800 [1,1,0,0,0,0|1,1,0]=4 494 B8R1.18 Cc1c(cn(n1)C)Br PB23204 [1,1,0,0,0,0|2,0,0]=4 495 B8R1.18 Cc1c(cn(n1)C)N AB10629 [1,1,0,0,0,0|2,0,0]=4 496 B8R1.18 Cc1c(cn(n1)C)N PB34221 [1,1,0,0,0,0|2,0,0]=4 497 B8R1.18 Cc1c(oc(n1)N)C AB25421 [1,1,0,0,0,0|2,0,0]=4 498 B8R1.18 Cc1cc(n(n1)C)Br PB11837 [1,1,0,0,0,0|2,0,0]=4 499 B8R1.18 Cc1cc(n(n1)C)N AB02131 [1,1,0,0,0,0|2,0,0]=4 500 B10R1.1 Cc1ccc(cc1)CC=O AB02059 [0,1,0,0,0,1|1,0,1]=4 501 B10R1.1 Cc1ccc(cn1)CCN AB55173 [0,1,0,0,0,1|2,0,0]=4 502 B10R1.1 Cc1ccc(cn1)CNC AB63786 [0,1,0,0,0,1|2,0,0]=4 503 B10R1.1 Cc1ccc(nc1)CCN AB31467 [0,1,0,0,0,1|2,0,0]=4 504 B10R1.1 Cc1ccc(nc1)CNC AB67504 [0,1,0,0,0,1|2,0,0]=4 505 B10R1.1 Cc1ccc(nc1)\C=N\O AB72002 [0,1,0,0,0,1|1,0,1]=4 506 B10R1.1 c1cc(ccc1CCO)Br AB00280 [0,1,0,0,0,1|2,0,0]=4 507 B10R1.1 c1cc(ncc1Br)CCO PB14792 [0,1,0,0,0,1|2,0,0]=4 508 B10R1.3 CCc1ccc(nc1)CCl AB60001 [0,1,0,0,0,1|2,0,0]=4 509 B10R1.3 COc1ccc(cn1)CCl AB59942 [0,1,0,0,0,1|2,0,0]=4 510 B10R1.3 COc1ccc(cn1)CCl AB59945 [0,1,0,0,0,1|2,0,0]=4 511 B10R1.3 COc1ccc(cn1)CN PB34107 [0,1,0,0,0,1|2,0,0]=4 512 B10R1.3 COc1ccc(cn1)CO PB17339 [0,1,0,0,0,1|1,0,0]=3 513 B10R1.3 COc1ccc(nc1)CCl AB59864 [0,1,0,0,0,1|2,0,0]=4 514 B10R1.3 COc1ccc(nc1)CCl PB31547 [0,1,0,0,0,1|2,0,0]=4 515 B10R1.3 COc1ccc(nc1)CN AB59858 [0,1,0,0,0,1|2,0,0]=4 516 B10R1.3 COc1ccc(nc1)CO PB32580 [0,1,0,0,0,1|1,0,0]=3 517 B10R1.3 COc1ccc(nn1)CCl AB62549 [0,1,0,0,0,1|2,0,0]=4 518 B10R1.3 COc1ccc(nn1)CN AB61133 [0,1,0,0,0,1|2,0,0]=4 519 B10R1.3 CSc1ccc(cc1)CCl AB05549 [0,1,0,0,0,1|2,0,0]=4 520 B10R1.3 CSc1ccc(cc1)CO AB00982 [0,1,0,0,0,1|1,0,0]=3 521 B10R1.3 c1cc(ccc1CN)CO AB23442 [0,1,0,0,0,1|1,0,0]=3 522 B10R1.3 c1cc(ncc1CO)C#N AB49273 [0,1,0,0,0,1|1,0,1]=4 523 B10R1.3 c1cc(ncc1CO)CN AB63417 [0,1,0,0,0,1|1,0,0]=3 524 B10R1.3 c1cc(ncc1CO)CO AB14995 [0,1,0,0,0,1|1,0,0]=3 525 B10R1.13 B(c1ccc(cc1)C)(O)O AB01767 [0,1,0,0,0,1|2,0,0]=4 526 B10R1.13 B(c1ccc(cn1)C)(O)O AB06946 [0,1,0,0,0,1|2,0,0]=4 527 B10R1.13 B(c1ccc(nc1)C)(O)O AB30208 [0,1,0,0,0,1|2,0,0]=4 528 B10R1.13 Cc1ccc(cn1)C(=O)O AB00723 [0,1,0,0,0,1|1,0,1]=4 529 B10R1.13 Cc1ccc(cn1)C(C)N AB53828 [0,1,0,0,0,1|2,0,0]=4 530 B10R1.13 Cc1ccc(cn1)C(F)F AB76728 [0,1,0,0,0,1|2,0,0]=4 531 B10R1.13 Cc1ccc(nc1)C(=O)O AB09798 [0,1,0,0,0,1|1,0,1]=4 532 B10R1.13 Cc1ccc(nn1)C(=O)O AB52759 [0,1,0,0,0,1|1,0,1]=4 533 B10R1.25 CCc1ccc(nc1N)C AB03677 [0,1,0,0,0,1|2,0,0]=4 534 B10R1.25 Cc1cc(c(cn1)CCl)Cl AB83327 [0,1,0,0,0,1|2,0,0]=4 535 B10R1.25 Cc1cc(c(cn1)CCl)F AB83045 [0,1,0,0,0,1|2,0,0]=4 536 B10R1.25 Cc1cc(c(cn1)CN)Br AB68171 [0,1,0,0,0,1|2,0,0]=4 537 B10R1.25 Cc1cc(c(cn1)CN)Cl AB68154 [0,1,0,0,0,1|2,0,0]=4 538 B10R1.25 Cc1cc(c(cn1)CN)F AB83048 [0,1,0,0,0,1|2,0,0]=4 539 B10R1.25 Cc1cc(c(nc1)CCl)C AB44395 [0,1,0,0,0,1|2,0,0]=4 540 B10R1.25 Cc1cc(c(nc1)CCl)Cl AB75094 [0,1,0,0,0,1|2,0,0]=4 541 B10R1.25 Cc1cc(c(nc1)CCl)F AB76356 [0,1,0,0,0,1|2,0,0]=4 542 B10R1.25 Cc1cc(c(nc1)CN)C AB53521 [0,1,0,0,0,1|2,0,0]=4 543 B10R1.25 Cc1cc(c(nc1)CN)Cl AB75093 [0,1,0,0,0,1|2,0,0]=4 544 B10R1.25 Cc1cc(c(nc1)CN)F AB75165 [0,1,0,0,0,1|2,0,0]=4 545 B10R1.25 Cc1cc(c(nc1)CO)C AB53524 [0,1,0,0,0,1|1,0,0]=3 546 B10R1.25 Cc1cc(ncc1CCl)C AB75393 [0,1,0,0,0,1|2,0,0]=4 547 B10R1.25 Cc1cc(ncc1CN)C AB62611 [0,1,0,0,0,1|2,0,0]=4 548 B10R1.25 Cc1ccc(c(c1)O)CN MB15038 [0,1,0,0,0,1|2,0,0]=4 549 B10R1.25 Cc1ccc(c(n1)Br)CN AB68158 [0,1,0,0,0,1|2,0,0]=4 550 B10R1.25 Cc1ccc(c(n1)Cl)CN AB23323 [0,1,0,0,0,1|2,0,0]=4 551 B10R1.25 Cc1ccc(c(n1)N)CCl AB76121 [0,1,0,0,0,1|2,0,0]=4 552 B10R1.25 Cc1ncc(c(n1)O)CO AB48547 [0,1,0,0,0,1|2,0,0]=4 553 B10R1.25 c1c(cnc(c1F)CO)Br PB34795 [0,1,0,0,0,1|2,0,0]=4 554 B10R1.25 c1c(cnc(c1N)CO)Br PB37232 [0,1,0,0,0,1|2,0,0]=4 555 B10R1.25 c1cc(c(cc1Br)N)CO AB42495 [0,1,0,0,0,1|2,0,0]=4 556 B10R1.25 c1cc(c(cc1Cl)Br)CO MB06939 [0,1,0,0,0,1|2,0,0]=4 557 B10R1.25 c1cc(c(cc1F)Br)CO AB06857 [0,1,0,0,0,1|2,0,0]=4 558 B10R1.25 c1cc(nc(c1CO)Cl)Cl PB32897 [0,1,0,0,0,1|2,0,0]=4 559 B10R1.176 Cc1c(cc(cn1)CCl)Cl AB74647 [0,1,0,0,0,1|2,0,0]=4 560 B10R1.176 Cc1c(cc(cn1)CCl)F AB76305 [0,1,0,0,0,1|2,0,0]=4 561 B10R1.176 Cc1c(cc(cn1)CN)Cl AB74649 [0,1,0,0,0,1|2,0,0]=4 562 B10R1.176 Cc1c(cc(cn1)CN)F AB76308 [0,1,0,0,0,1|2,0,0]=4 563 B10R1.176 Cc1cc(ccc1Br)CO AB50387 [0,1,0,0,0,1|2,0,0]=4 564 B10R1.176 Cc1cc(cnc1C)CCl AB75391 [0,1,0,0,0,1|2,0,0]=4 565 B10R1.176 Cc1cc(cnc1C)CN AB70585 [0,1,0,0,0,1|2,0,0]=4 566 B10R1.176 Cc1cc(ncc1C)CCl AB64952 [0,1,0,0,0,1|2,0,0]=4 567 B10R1.176 Cc1cc(ncc1C)CN AB65468 [0,1,0,0,0,1|2,0,0]=4 568 B10R1.176 Cc1ccc(nc1C)CCl AB64955 [0,1,0,0,0,1|2,0,0]=4 569 B10R1.176 Cc1ccc(nc1C)CN AB65463 [0,1,0,0,0,1|2,0,0]=4 570 B10R1.176 Cc1ccc(nc1Cl)CCl AB75101 [0,1,0,0,0,1|2,0,0]=4 571 B10R1.176 Cc1ccc(nc1Cl)CN AB75099 [0,1,0,0,0,1|2,0,0]=4 572 B10R1.176 Cc1ccc(nc1F)CCl AB72849 [0,1,0,0,0,1|2,0,0]=4 573 B10R1.176 Cc1ccc(nc1F)CN AB72850 [0,1,0,0,0,1|2,0,0]=4 574 B10R1.176 Cc1cnc(cc1Br)CCl AB70165 [0,1,0,0,0,1|2,0,0]=4 575 B10R1.176 Cc1cnc(cc1Br)CN AB70168 [0,1,0,0,0,1|2,0,0]=4 576 B10R1.176 Cc1cnc(cc1Cl)CCl AB70036 [0,1,0,0,0,1|2,0,0]=4 577 B10R1.176 Cc1cnc(cc1Cl)CN AB70034 [0,1,0,0,0,1|2,0,0]=4 578 B10R1.176 Cc1cnc(cc1F)CCl AB82954 [0,1,0,0,0,1|2,0,0]=4 579 B10R1.176 Cc1cnc(cc1F)CN AB82957 [0,1,0,0,0,1|2,0,0]=4 580 B10R1.176 Cn1cc(ccc1=O)CO PB22835 [0,1,0,0,0,1|2,0,0]=4 581 B10R1.176 Cn1ccc(cc1=O)CO PB18199 [0,1,0,0,0,1|2,0,0]=4 582 B10R1.176 c1c(ncc(c1Cl)F)CO PB22370 [0,1,0,0,0,1|2,0,0]=4 583 B10R1.176 c1cc(c(cc1CO)F)Br AB44195 [0,1,0,0,0,1|2,0,0]=4 584 B10R1.2 Cc1c(c(ccn1)CCl)Cl AB71122 [0,1,0,0,0,1|2,0,0]=4 585 B10R1.2 Cc1c(c(ccn1)CN)Cl AB75137 [0,1,0,0,0,1|2,0,0]=4 586 B10R1.2 Cc1c(ccnc1CO)Br AB53756 [0,1,0,0,0,1|2,0,0]=4 587 B10R1.2 Cc1c(nccc1CCl)C AB75402 [0,1,0,0,0,1|2,0,0]=4 588 B10R1.2 Cc1c(nccc1CN)C AB75354 [0,1,0,0,0,1|2,0,0]=4 589 B10R1.2 Cc1c(nccc1CO)C AB62891 [0,1,0,0,0,1|1,0,0]=3 590 B10R1.2 Cc1cccc(c1N)CN MB08906 [0,1,0,0,0,1|2,0,0]=4 591 B10R1.2 Cc1cccc(c1O)CN MB05058 [0,1,0,0,0,1|2,0,0]=4 592 B10R1.2 Cc1ccnc(c1C)CCl AB49318 [0,1,0,0,0,1|2,0,0]=4 593 B10R1.2 Cc1ccnc(c1C)CN AB76790 [0,1,0,0,0,1|2,0,0]=4 594 B10R1.2 Cc1ccnc(c1Cl)CCl AB83300 [0,1,0,0,0,1|2,0,0]=4 595 B10R1.2 Cc1ccnc(c1Cl)CN AB83302 [0,1,0,0,0,1|2,0,0]=4 596 B10R1.2 Cc1cncc(c1C)CCl AB75396 [0,1,0,0,0,1|2,0,0]=4 597 B10R1.2 Cc1cncc(c1C)CN AB76787 [0,1,0,0,0,1|2,0,0]=4 598 B10R1.2 Cc1cncc(c1Cl)CCl AB83266 [0,1,0,0,0,1|2,0,0]=4 599 B10R1.2 Cc1cncc(c1Cl)CN AB83269 [0,1,0,0,0,1|2,0,0]=4 600 B10R1.2 Cc1cncc(c1F)CCl AB82938 [0,1,0,0,0,1|2,0,0]=4 601 B10R1.2 Cc1cncc(c1F)CN AB82941 [0,1,0,0,0,1|2,0,0]=4 602 B10R1.2 Cn1cccc(c1=O)CO PB13713 [0,1,0,0,0,1|2,0,0]=4 603 B10R1.8 CCc1cc(nc(n1)C)Cl AB42755 [0,1,0,0,0,1|2,0,0]=4 604 B10R1.8 CCc1cc(nc(n1)C)N AB54967 [0,1,0,0,0,1|2,0,0]=4 605 B10R1.8 CCc1cc(nc(n1)C)O AB13893 [0,1,0,0,0,1|2,0,0]=4 606 B10R1.8 Cc1cc(cc(c1)Br)CCl AB71866 [0,1,0,0,0,1|2,0,0]=4 607 B10R1.8 Cc1cc(cc(c1)Br)CN AB75545 [0,1,0,0,0,1|2,0,0]=4 608 B10R1.8 Cc1cc(cc(c1)CCl)C AB56154 [0,1,0,0,0,1|2,0,0]=4 609 B10R1.8 Cc1cc(cc(c1)CN)C AB01824 [0,1,0,0,0,1|2,0,0]=4 610 B10R1.8 Cc1cc(cc(c1)Cl)CCl AB75575 [0,1,0,0,0,1|2,0,0]=4 611 B10R1.8 Cc1cc(cc(c1)Cl)CN AB75470 [0,1,0,0,0,1|2,0,0]=4 612 B10R1.8 Cc1cc(cc(c1)F)CCl AB66782 [0,1,0,0,0,1|2,0,0]=4 613 B10R1.8 Cc1cc(cc(c1)F)CN AB23427 [0,1,0,0,0,1|2,0,0]=4 614 B10R1.8 Cc1cc(cc(c1)I)CCl AB75649 [0,1,0,0,0,1|2,0,0]=4 615 B10R1.8 Cc1cc(cc(c1)I)CN AB75648 [0,1,0,0,0,1|2,0,0]=4 616 B10R1.8 Cc1cc(cc(c1)N)CN AB75515 [0,1,0,0,0,1|2,0,0]=4 617 B10R1.8 Cc1cc(cc(c1)O)CN AB71617 [0,1,0,0,0,1|2,0,0]=4 618 B10R1.8 Cc1cc(cc(n1)Br)CCl AB71050 [0,1,0,0,0,1|2,0,0]=4 619 B10R1.8 Cc1cc(cc(n1)Br)CN AB68161 [0,1,0,0,0,1|2,0,0]=4 620 B10R1.8 Cc1cc(cc(n1)C)CCl AB68655 [0,1,0,0,0,1|2,0,0]=4 621 B10R1.8 Cc1cc(cc(n1)C)CN AB65427 [0,1,0,0,0,1|2,0,0]=4 622 B10R1.8 Cc1cc(cc(n1)CCl)Br AB68657 [0,1,0,0,0,1|2,0,0]=4 623 B10R1.8 Cc1cc(cc(n1)CCl)Cl AB74787 [0,1,0,0,0,1|2,0,0]=4 624 B10R1.8 Cc1cc(cc(n1)CCl)F AB78533 [0,1,0,0,0,1|2,0,0]=4 625 B10R1.8 Cc1cc(cc(n1)CCl)I AB78583 [0,1,0,0,0,1|2,0,0]=4 626 B10R1.8 Cc1cc(cc(n1)CCl)O AB78458 [0,1,0,0,0,1|2,0,0]=4 627 B10R1.8 Cc1cc(cc(n1)CN)Br AB40798 [0,1,0,0,0,1|2,0,0]=4 628 B10R1.8 Cc1cc(cc(n1)CN)Cl AB40810 [0,1,0,0,0,1|2,0,0]=4 629 B10R1.8 Cc1cc(cc(n1)CN)F AB80224 [0,1,0,0,0,1|2,0,0]=4 630 B10R1.8 Cc1cc(cc(n1)CN)I AB80278 [0,1,0,0,0,1|2,0,0]=4 631 B10R1.8 Cc1cc(cc(n1)CN)N AB80135 [0,1,0,0,0,1|2,0,0]=4 632 B10R1.8 Cc1cc(cc(n1)CN)O AB80150 [0,1,0,0,0,1|2,0,0]=4 633 B10R1.8 Cc1cc(cc(n1)CO)Br AB40787 [0,1,0,0,0,1|1,0,0]=3 634 B10R1.8 Cc1cc(cc(n1)CO)Cl AB40801 [0,1,0,0,0,1|1,0,0]=3 635 B10R1.8 Cc1cc(cc(n1)Cl)CCl AB70698 [0,1,0,0,0,1|2,0,0]=4 636 B10R1.8 Cc1cc(cc(n1)Cl)CN AB68142 [0,1,0,0,0,1|2,0,0]=4 637 B10R1.8 Cc1cc(cc(n1)F)CCl AB70706 [0,1,0,0,0,1|2,0,0]=4 638 B10R1.8 Cc1cc(cc(n1)F)CN AB80402 [0,1,0,0,0,1|2,0,0]=4 639 B10R1.8 Cc1cc(cc(n1)I)CCl AB78738 [0,1,0,0,0,1|2,0,0]=4 640 B10R1.8 Cc1cc(cc(n1)I)CN AB80462 [0,1,0,0,0,1|2,0,0]=4 641 B10R1.8 Cc1cc(cc(n1)N)CCl AB70871 [0,1,0,0,0,1|2,0,0]=4 642 B10R1.8 Cc1cc(cc(n1)N)CN AB80499 [0,1,0,0,0,1|2,0,0]=4 643 B10R1.8 Cc1cc(cc(n1)O)CN AB80512 [0,1,0,0,0,1|2,0,0]=4 644 B10R1.8 Cc1cc(nc(c1)Br)CCl AB78392 [0,1,0,0,0,1|2,0,0]=4 645 B10R1.8 Cc1cc(nc(c1)Br)CN AB80078 [0,1,0,0,0,1|2,0,0]=4 646 B10R1.8 Cc1cc(nc(c1)CCl)C AB64959 [0,1,0,0,0,1|2,0,0]=4 647 B10R1.8 Cc1cc(nc(c1)CN)C AB62613 [0,1,0,0,0,1|2,0,0]=4 648 B10R1.8 Cc1cc(nc(c1)Cl)CCl AB71015 [0,1,0,0,0,1|2,0,0]=4 649 B10R1.8 Cc1cc(nc(c1)Cl)CN AB75106 [0,1,0,0,0,1|2,0,0]=4 650 B10R1.8 Cc1cc(nc(c1)F)CCl AB78353 [0,1,0,0,0,1|2,0,0]=4 651 B10R1.8 Cc1cc(nc(c1)F)CN AB80035 [0,1,0,0,0,1|2,0,0]=4 652 B10R1.8 Cc1cc(nc(c1)I)CCl AB78408 [0,1,0,0,0,1|2,0,0]=4 653 B10R1.8 Cc1cc(nc(c1)I)CN AB80096 [0,1,0,0,0,1|2,0,0]=4 654 B10R1.8 Cc1cc(nc(c1)N)CN AB76142 [0,1,0,0,0,1|2,0,0]=4 655 B10R1.8 Cc1cc(nc(c1)O)CN AB80331 [0,1,0,0,0,1|2,0,0]=4 656 B10R1.8 Cc1cc(nc(n1)CCl)C AB53816 [0,1,0,0,0,1|2,0,0]=4 657 B10R1.8 Cc1cc(nc(n1)CCl)Cl AB59423 [0,1,0,0,0,1|2,0,0]=4 658 B10R1.8 Cc1cc(nc(n1)CCl)O AB03648 [0,1,0,0,0,1|2,0,0]=4 659 B10R1.8 Cc1cc(nc(n1)CN)C AB12971 [0,1,0,0,0,1|2,0,0]=4 660 B10R1.8 Cc1cc(nc(n1)CN)Cl AB62683 [0,1,0,0,0,1|2,0,0]=4 661 B10R1.8 Cc1cc(nc(n1)CN)O AB63185 [0,1,0,0,0,1|2,0,0]=4 662 B10R1.8 c1c(cc(cc1F)Br)CO AB20678 [0,1,0,0,0,1|2,0,0]=4 663 B10R1.8 c1c(cc(cc1N)Cl)CO AB63846 [0,1,0,0,0,1|2,0,0]=4 664 B10R1.8 c1c(cc(cc1O)Cl)CO AB43614 [0,1,0,0,0,1|2,0,0]=4 665 B10R1.8 c1c(cc(nc1Br)Br)CO PB29704 [0,1,0,0,0,1|2,0,0]=4 666 B10R1.10 Cc1cc(ccn1)CCN AB55165 [0,1,0,0,0,1|2,0,0]=4 667 B10R1.10 Cc1cc(ccn1)CNC AB53841 [0,1,0,0,0,1|2,0,0]=4 668 B10R1.10 Cc1cc(ccn1)\C=N\O AB72010 [0,1,0,0,0,1|1,0,1]=4 669 B10R1.10 Cc1cc(cnc1)CCN AB55190 [0,1,0,0,0,1|2,0,0]=4 670 B10R1.10 Cc1cc(cnc1)CNC AB67507 [0,1,0,0,0,1|2,0,0]=4 671 B10R1.10 Cc1cccc(c1)CC=O AB11815 [0,1,0,0,0,1|1,0,1]=4 672 B10R1.10 Cc1cccc(n1)CCN AB17067 [0,1,0,0,0,1|2,0,0]=4 673 B10R1.10 Cc1cccc(n1)CNC AB01381 [0,1,0,0,0,1|2,0,0]=4 674 B10R1.10 Cc1ccnc(c1)CNC AB52584 [0,1,0,0,0,1|2,0,0]=4 675 B10R1.10 Cc1ccnc(n1)CCN AB59280 [0,1,0,0,0,1|2,0,0]=4 676 B10R1.10 c1cc(nc(c1)Br)CCO CB11431 [0,1,0,0,0,1|2,0,0]=4 677 B10R1.10 c1cc(nc(c1)F)CCO AB55227 [0,1,0,0,0,1|2,0,0]=4 678 B10R1.30 CCc1cc(ccc1O)C MB23622 [0,1,0,0,0,1|2,0,0]=4 679 B10R1.30 Cc1cc(c(cn1)Br)CN AB68167 [0,1,0,0,0,1|2,0,0]=4 680 B10R1.30 Cc1cc(c(cn1)C)CCl AB75401 [0,1,0,0,0,1|2,0,0]=4 681 B10R1.30 Cc1cc(c(cn1)C)CN AB76782 [0,1,0,0,0,1|2,0,0]=4 682 B10R1.30 Cc1cc(c(cn1)Cl)CN AB68151 [0,1,0,0,0,1|2,0,0]=4 683 B10R1.30 Cc1cc(c(nc1)Br)CCl AB71047 [0,1,0,0,0,1|2,0,0]=4 684 B10R1.30 Cc1cc(c(nc1)C)CCl AB75394 [0,1,0,0,0,1|2,0,0]=4 685 B10R1.30 Cc1cc(c(nc1)C)CN AB76781 [0,1,0,0,0,1|2,0,0]=4 686 B10R1.30 Cc1cc(c(nc1)Cl)CCl AB71113 [0,1,0,0,0,1|2,0,0]=4 687 B10R1.30 Cc1cc(c(nc1)Cl)CN AB41819 [0,1,0,0,0,1|2,0,0]=4 688 B10R1.30 Cc1cc(c(nc1)F)CCl AB71237 [0,1,0,0,0,1|2,0,0]=4 689 B10R1.30 Cc1cc(c(nc1)F)CN AB65158 [0,1,0,0,0,1|2,0,0]=4 690 B10R1.30 Cc1cc(c(nc1)N)CCl AB70870 [0,1,0,0,0,1|2,0,0]=4 691 B10R1.30 Cc1ccc(c(n1)CN)Br AB68170 [0,1,0,0,0,1|2,0,0]=4 692 B10R1.30 Cc1ccc(c(n1)CN)Cl AB68153 [0,1,0,0,0,1|2,0,0]=4 693 B10R1.30 Cc1ccc(nc1CCl)C AB75390 [0,1,0,0,0,1|2,0,0]=4 694 B10R1.30 Cc1ccc(nc1CN)C AB65466 [0,1,0,0,0,1|2,0,0]=4 695 B10R1.30 Cc1cnc(c(n1)CCl)C AB76280 [0,1,0,0,0,1|2,0,0]=4 696 B10R1.30 Cc1cnc(c(n1)CN)C AB77043 [0,1,0,0,0,1|2,0,0]=4 697 B10R1.30 c1c(cnc(c1CO)Cl)Br PB17569 [0,1,0,0,0,1|2,0,0]=4 698 B10R1.30 c1c(cnc(c1CO)Cl)F AB13672 [0,1,0,0,0,1|2,0,0]=4 699 B10R1.30 c1c(cnc(c1CO)F)Br PB34780 [0,1,0,0,0,1|2,0,0]=4 700 B10R1.30 c1c(cnc(c1CO)N)Br AB22233 [0,1,0,0,0,1|2,0,0]=4 701 B10R1.30 c1c(cnc(c1CO)N)Br AB44376 [0,1,0,0,0,1|2,0,0]=4 702 B10R1.30 c1c(cnc(c1CO)N)I AB21855 [0,1,0,0,0,1|2,0,0]=4 703 B10R1.30 c1cc(c(cc1Br)CO)Cl MB02484 [0,1,0,0,0,1|2,0,0]=4 704 B10R1.30 c1cc(c(cc1Br)CO)N MB05459 [0,1,0,0,0,1|2,0,0]=4 705 B10R1.30 c1cc(c(cc1Cl)CO)N MB00550 [0,1,0,0,0,1|2,0,0]=4 706 B10R1.30 c1cc(c(cc1F)CO)N MB05463 [0,1,0,0,0,1|2,0,0]=4 707 B10R1.113 B(c1cc(ccn1)C)(O)O AB13221 [0,1,0,0,0,1|2,0,0]=4 708 B10R1.113 B(c1cccc(c1)C)(O)O AB01795 [0,1,0,0,0,1|2,0,0]=4 709 B10R1.113 B(c1cccc(n1)C)(O)O AB13224 [0,1,0,0,0,1|2,0,0]=4 710 B10R1.113 B(c1ccnc(c1)C)(O)O AB13715 [0,1,0,0,0,1|2,0,0]=4 711 B10R1.113 B(c1cncc(n1)C)(O)O AB54283 [0,1,0,0,0,1|2,0,0]=4 712 B10R1.113 Cc1cc(ccn1)C(=O)O AB06393 [0,1,0,0,0,1|1,0,1]=4 713 B10R1.113 Cc1cc(ccn1)C(C)N AB66941 [0,1,0,0,0,1|2,0,0]=4 714 B10R1.113 Cc1cc(cnc1)C(=O)O PB12710 [0,1,0,0,0,1|1,0,1]=4 715 B10R1.113 Cc1cccc(n1)C(=O)O AB01368 [0,1,0,0,0,1|1,0,1]=4 716 B10R1.113 Cc1cccc(n1)C(C)N AB25816 [0,1,0,0,0,1|2,0,0]=4 717 B10R1.113 Cc1ccnc(c1)C(=O)O AB15851 [0,1,0,0,0,1|1,0,1]=4 718 B10R1.113 Cc1ccnc(n1)C(=O)O PB31505 [0,1,0,0,0,1|1,0,1]=4 719 B10R1.113 Cc1ccnc(n1)C(C)N AB59470 [0,1,0,0,0,1|2,0,0]=4 720 B10R1.113 Cc1cncc(n1)C(=O)O AB48615 [0,1,0,0,0,1|1,0,1]=4 721 B10R1.172 COc1cc(ccn1)CCl AB59894 [0,1,0,0,0,1|2,0,0]=4 722 B10R1.172 COc1cc(ccn1)CN PB12590 [0,1,0,0,0,1|2,0,0]=4 723 B10R1.172 COc1cc(ccn1)CO PB12206 [0,1,0,0,0,1|1,0,0]=3 724 B10R1.172 COc1cc(cnc1)CCl AB67553 [0,1,0,0,0,1|2,0,0]=4 725 B10R1.172 COc1cc(cnc1)CN PB36726 [0,1,0,0,0,1|2,0,0]=4 726 B10R1.172 COc1cc(cnc1)CO PB11991 [0,1,0,0,0,1|1,0,0]=3 727 B10R1.172 COc1cccc(n1)CCl AB59984 [0,1,0,0,0,1|2,0,0]=4 728 B10R1.172 COc1cccc(n1)CN AB64449 [0,1,0,0,0,1|2,0,0]=4 729 B10R1.172 COc1cccc(n1)CO AB43774 [0,1,0,0,0,1|1,0,0]=3 730 B10R1.172 COc1ccnc(c1)CCl AB42302 [0,1,0,0,0,1|2,0,0]=4 731 B10R1.172 COc1ccnc(c1)CCl MB05825 [0,1,0,0,0,1|2,0,0]=4 732 B10R1.172 COc1ccnc(c1)CN AB63680 [0,1,0,0,0,1|2,0,0]=4 733 B10R1.172 COc1ccnc(c1)CO AB42298 [0,1,0,0,0,1|1,0,0]=3 734 B10R1.172 COc1ccnc(n1)CCl AB59089 [0,1,0,0,0,1|2,0,0]=4 735 B10R1.172 COc1ccnc(n1)CN AB63192 [0,1,0,0,0,1|2,0,0]=4 736 B10R1.172 COc1cncc(n1)CCl AB73154 [0,1,0,0,0,1|2,0,0]=4 737 B10R1.172 COc1cncc(n1)CN AB73157 [0,1,0,0,0,1|2,0,0]=4 738 B10R1.172 COc1nccc(n1)CCl AB58943 [0,1,0,0,0,1|2,0,0]=4 739 B10R1.172 COc1nccc(n1)CN PB16289 [0,1,0,0,0,1|2,0,0]=4 740 B10R1.172 COc1nccc(n1)CO PB24420 [0,1,0,0,0,1|1,0,0]=3 741 B10R1.172 CSc1nccc(n1)CCl AB58948 [0,1,0,0,0,1|2,0,0]=4 742 B10R1.172 c1c(cncc1C#N)CO AB31356 [0,1,0,0,0,1|1,0,1]=4 743 B10R1.172 c1cc(cc(c1)C#N)CO CB10501 [0,1,0,0,0,1|1,0,1]=4 744 B10R1.172 c1cc(nc(c1)C#N)CO AB31421 [0,1,0,0,0,1|1,0,1]=4 745 B10R1.172 c1cc(nc(c1)CO)CN AB31423 [0,1,0,0,0,1|1,0,0]=3 746 B10R1.172 c1cnc(cc1CO)C#N AB31352 [0,1,0,0,0,1|1,0,1]=4 747 B10R1.172 c1cnc(nc1C=O)CO AB58724 [0,1,0,0,0,1|1,0,1]=4 748 B10R1.14 Cc1ccc(s1)C(=O)OC AB23205 [0,2,0,0,0,0|0,1,1]=4 749 B10R1.14 Cc1cnc(o1)C(=O)OC AB53495 [0,2,0,0,0,0|1,0,1]=4 750 B10R1.14 Cc1ncc(o1)C(=O)OC AB27653 [0,2,0,0,0,0|1,0,1]=4 751 B10R1.14 c1cc(oc1C(=O)CBr)Br AB42923 [0,2,0,0,0,0|2,0,0]=4 752 B10R1.54 Cc1ccn(n1)CC(=O)O AB14474 [0,2,0,0,0,0|2,0,0]=4 753 B10R1.54 Cc1nc(cs1)CC(=O)O AB12126 [0,2,0,0,0,0|2,0,0]=4 754 B10R1.54 Cc1ncc(o1)CC(=O)C AB44093 [0,2,0,0,0,0|1,0,1]=4 755 B10R1.31 B(c1ccc(o1)CO)(O)O AB13728 [0,2,0,0,0,0|1,0,0]=3 756 B10R1.31 B(c1ccc(s1)CO)(O)O AB13725 [0,2,0,0,0,0|1,1,0]=4 757 B10R1.31 B(c1ccc(s1)SC)(O)O AB19955 [0,2,0,0,0,0|1,1,0]=4 758 B10R1.31 B(c1cnc(o1)SC)(O)O AB73082 [0,2,0,0,0,0|2,0,0]=4 759 B10R1.35 CCc1[nH]c(c(n1)CO)Cl AB27195 [0,2,0,0,0,0|2,0,0]=4 760 B10R1.35 CCc1nc(c(o1)C)CO AB63453 [0,2,0,0,0,0|2,0,0]=4 761 B10R1.35 CCc1nc(c(s1)C)CO AB63457 [0,2,0,0,0,0|2,0,0]=4 762 B10R1.35 Cc1c(cc(s1)CCl)C#N AB72619 [0,2,0,0,0,0|1,1,0]=4 763 B10R1.58 B(c1cc(c(s1)C)Br)(O)O AB55299 [0,2,0,0,0,0|1,1,0]=4 764 B8R1.2 c1cc(nnc1)CO PB30818 [0,0,1,1,0,0|2,0,0]=4 765 B8R1.3 Cc1ccc(cn1)O PB30543 [0,0,1,1,0,0|1,0,1]=4 766 B8R1.3 Cc1ccc(nc1)O AB13138 [0,0,1,1,0,0|2,0,0]=4 767 B10R2.2 Cc1nc2c(o1)CNC2 AB27318 [0,1,0,1,0,0|2,0,0]=4