0 B9R1.35 B(C1=CN=C(C1)C)(O)O MB18086 [0,0,0,0,0,0|2,0,2]=4 1 B9R1.35 B(c1cc(co1)C)(O)O AB08042 [0,0,0,0,0,0|3,0,1]=4 2 B9R1.35 B(c1cc(cs1)C)(O)O AB08861 [0,0,0,0,0,0|3,0,1]=4 3 B9R1.35 B(c1cc(sc1)C)(O)O AB72596 [0,0,0,0,0,0|1,0,1]=2 4 B9R1.35 B(c1cc(sc1)Cl)(O)O AB29389 [0,0,0,0,0,0|2,0,1]=3 5 B9R1.35 B(c1ccc(o1)C)(O)O AB08313 [0,0,0,0,0,0|3,0,1]=4 6 B9R1.35 B(c1ccc(s1)C)(O)O PB21738 [0,0,0,0,0,0|3,0,1]=4 7 B9R1.35 B(c1ccn(c1)C)(O)O AB71597 [0,0,0,0,0,0|3,0,1]=4 8 B9R1.35 B(c1cnn(c1)C)(O)O AB50582 [0,0,0,0,0,0|3,0,1]=4 9 B9R1.35 B(c1csc(n1)Br)(O)O AB48977 [0,0,0,0,0,0|3,0,1]=4 10 B9R1.35 B(c1csc(n1)C)(O)O AB54189 [0,0,0,0,0,0|2,0,1]=3 11 B9R1.35 C1=C(N=CC1N)C(=O)O AB43641 [0,0,0,0,0,0|3,0,1]=4 12 B9R1.35 C1=C(N=NC1C(=O)O)N AB09167 [0,0,0,0,0,0|3,0,1]=4 13 B9R1.35 C1=NC(=NC1C(=O)O)Br AB57009 [0,0,0,0,0,0|3,0,1]=4 14 B9R1.35 C1=NC(=NC1C(=O)O)Cl AB57013 [0,0,0,0,0,0|3,0,1]=4 15 B9R1.35 C1=NC(=O)N=C1C(=O)O AB09197 [0,0,0,0,0,0|3,0,0]=3 16 B9R1.35 C1C=C(N=C1Br)C(=O)N PB34419 [0,0,0,0,0,0|4,0,0]=4 17 B9R1.35 C1C=C(N=C1Br)C(=O)O MB19809 [0,0,0,0,0,0|3,0,0]=3 18 B9R1.35 C1CC(=O)C=C1C(=O)O CB11482 [0,0,0,0,0,0|2,0,1]=3 19 B9R1.35 CC(=O)c1cc(cs1)Cl PB13009 [0,0,0,0,0,0|4,0,0]=4 20 B9R1.35 CC(=O)c1cc(sc1)Br AB71462 [0,0,0,0,0,0|2,0,0]=2 21 B9R1.35 CC(=O)c1cc(sc1)Cl PB18443 [0,0,0,0,0,0|2,0,0]=2 22 B9R1.35 CC(=O)c1ccc(o1)Br AB25597 [0,0,0,0,0,0|4,0,0]=4 23 B9R1.35 CC(=O)c1ccc(s1)Br PB24550 [0,0,0,0,0,0|4,0,0]=4 24 B9R1.35 CC(=O)c1ccc(s1)Cl PB11578 [0,0,0,0,0,0|4,0,0]=4 25 B9R1.35 CC(=O)c1cnc(o1)N AB54806 [0,0,0,0,0,0|4,0,0]=4 26 B9R1.35 CC(=O)c1cnc(s1)Br AB69536 [0,0,0,0,0,0|4,0,0]=4 27 B9R1.35 CC(=O)c1cnc(s1)N AB07075 [0,0,0,0,0,0|4,0,0]=4 28 B9R1.35 CC(=O)c1coc(n1)Cl AB77007 [0,0,0,0,0,0|3,1,0]=4 29 B9R1.35 CC(c1cc(sc1)Cl)N PB38111 [0,0,0,0,0,0|3,0,1]=4 30 B9R1.35 CC(c1cc(sc1)Cl)O PB23084 [0,0,0,0,0,0|2,0,1]=3 31 B9R1.35 CC1=NC(=NC1)C(=O)O AB53262 [0,0,0,0,0,0|3,0,0]=3 32 B9R1.35 CC1=NN=C(C1)C(=O)O PB13019 [0,0,0,0,0,0|2,0,1]=3 33 B9R1.35 Cc1[nH]c(cn1)C(=O)C AB51549 [0,0,0,0,0,0|3,0,0]=3 34 B9R1.35 Cc1[nH]c(cn1)C(=O)O AB05025 [0,0,0,0,0,0|2,0,0]=2 35 B9R1.35 Cc1[nH]c(nn1)C(=O)O AB12749 [0,0,0,0,0,0|3,0,0]=3 36 B9R1.35 Cc1[nH]c(nn1)C(=O)O AB57423 [0,0,0,0,0,0|3,0,0]=3 37 B9R1.35 Cc1cc(cs1)C(=O)O PB14265 [0,0,0,0,0,0|0,0,0]=0 38 B9R1.35 Cc1cc(no1)C(=O)O CB10494 [0,0,0,0,0,0|1,1,0]=2 39 B9R1.35 Cc1cc(sc1)C(=O)O PB14117 [0,0,0,0,0,0|2,0,0]=2 40 B9R1.35 Cc1ccc(s1)C(=O)C AB01148 [0,0,0,0,0,0|3,0,0]=3 41 B9R1.35 Cc1ccc(s1)C(=O)O AB00425 [0,0,0,0,0,0|2,0,0]=2 42 B9R1.35 Cc1cnc(o1)C(=O)O AB53258 [0,0,0,0,0,0|3,0,0]=3 43 B9R1.35 Cc1cnc(s1)C(=O)O AB43204 [0,0,0,0,0,0|3,0,0]=3 44 B9R1.35 Cc1coc(n1)C(=O)O PB31618 [0,0,0,0,0,0|3,0,0]=3 45 B9R1.35 Cc1csc(n1)C(=O)C AB32246 [0,0,0,0,0,0|4,0,0]=4 46 B9R1.35 Cc1csc(n1)C(=O)O PB26270 [0,0,0,0,0,0|3,0,0]=3 47 B9R1.35 Cc1nc(co1)C(=O)O AB05124 [0,0,0,0,0,0|1,1,0]=2 48 B9R1.35 Cc1nc(cs1)C(=O)O AB14027 [0,0,0,0,0,0|1,0,0]=1 49 B9R1.35 Cc1nc(cs1)C(C)N AB28273 [0,0,0,0,0,0|3,0,1]=4 50 B9R1.35 Cc1nc(no1)C(=O)O AB44082 [0,0,0,0,0,0|2,1,0]=3 51 B9R1.35 Cc1nc(on1)C(=O)O AB55970 [0,0,0,0,0,0|3,0,0]=3 52 B9R1.35 Cc1ncc(s1)C(=O)O PB12949 [0,0,0,0,0,0|2,0,0]=2 53 B9R1.35 Cc1nnc(o1)C(=O)[O-] PB14509 [0,0,0,0,0,0|3,0,1]=4 54 B9R1.35 Cc1nnc(s1)C(=O)O AB65141 [0,0,0,0,0,0|3,0,0]=3 55 B9R1.35 Cn1cc(cn1)C(=O)O PB27447 [0,0,0,0,0,0|2,0,0]=2 56 B9R1.35 Cn1cc(nc1)C(=O)O PB21172 [0,0,0,0,0,0|3,0,0]=3 57 B9R1.35 Cn1cc(nn1)C(=O)O AB48246 [0,0,0,0,0,0|3,0,0]=3 58 B9R1.35 Cn1ccc(n1)C(=O)O PB29090 [0,0,0,0,0,0|3,0,0]=3 59 B9R1.35 c1([nH]c(nn1)Br)C(=O)O MB19800 [0,0,0,0,0,0|4,0,0]=4 60 B9R1.35 c1([nH]c(nn1)Cl)C(=O)O MB09048 [0,0,0,0,0,0|4,0,0]=4 61 B9R1.35 c1([nH]c(nn1)O)C(=O)O AB30461 [0,0,0,0,0,0|4,0,0]=4 62 B9R1.35 c1c(coc1Br)C(=O)O AB45895 [0,0,0,0,0,0|1,1,0]=2 63 B9R1.35 c1c(coc1C(=O)N)Br AB65725 [0,0,0,0,0,0|4,0,0]=4 64 B9R1.35 c1c(coc1C(=O)O)Br AB03318 [0,0,0,0,0,0|3,0,0]=3 65 B9R1.35 c1c(csc1Br)C(=O)O PB20302 [0,0,0,0,0,0|1,0,0]=1 66 B9R1.35 c1c(csc1C(=O)N)Br AB53759 [0,0,0,0,0,0|4,0,0]=4 67 B9R1.35 c1c(csc1C(=O)O)Br PB29256 [0,0,0,0,0,0|3,0,0]=3 68 B9R1.35 c1c(csc1C(=O)O)Cl PB25964 [0,0,0,0,0,0|3,0,0]=3 69 B9R1.35 c1c(csc1Cl)C(=O)N AB09992 [0,0,0,0,0,0|2,0,0]=2 70 B9R1.35 c1c(csc1Cl)C(=O)O PB17106 [0,0,0,0,0,0|1,0,0]=1 71 B9R1.35 c1c(csc1F)C(=O)O PB18609 [0,0,0,0,0,0|1,0,0]=1 72 B9R1.35 c1c(nc(o1)Br)C(=O)O PB14959 [0,0,0,0,0,0|2,1,0]=3 73 B9R1.35 c1c(nc(o1)C(=O)O)Br AB59761 [0,0,0,0,0,0|4,0,0]=4 74 B9R1.35 c1c(nc(o1)Cl)C(=O)O PB20528 [0,0,0,0,0,0|2,1,0]=3 75 B9R1.35 c1c(nc(o1)N)C(=O)O PB31410 [0,0,0,0,0,0|2,1,0]=3 76 B9R1.35 c1c(nc(s1)Br)C(=O)N MB10372 [0,0,0,0,0,0|3,0,0]=3 77 B9R1.35 c1c(nc(s1)Br)C(=O)O AB20482 [0,0,0,0,0,0|2,0,0]=2 78 B9R1.35 c1c(nc(s1)C(=O)O)Br PB32743 [0,0,0,0,0,0|4,0,0]=4 79 B9R1.35 c1c(nc(s1)Cl)C(=O)O CB11341 [0,0,0,0,0,0|2,0,0]=2 80 B9R1.35 c1c(nc(s1)N)C(=O)O AB07466 [0,0,0,0,0,0|2,0,0]=2 81 B9R1.35 c1c(onc1Br)C(=O)O AB32047 [0,0,0,0,0,0|3,0,0]=3 82 B9R1.35 c1c(sc(n1)Br)C(=O)N MB08396 [0,0,0,0,0,0|4,0,0]=4 83 B9R1.35 c1c(sc(n1)Br)C(=O)O PB12322 [0,0,0,0,0,0|3,0,0]=3 84 B9R1.35 c1c(sc(n1)C(=O)O)Br PB31583 [0,0,0,0,0,0|4,0,0]=4 85 B9R1.35 c1c(sc(n1)C(=O)O)Cl PB26550 [0,0,0,0,0,0|4,0,0]=4 86 B9R1.35 c1c(sc(n1)C(=O)O)N PB33442 [0,0,0,0,0,0|4,0,0]=4 87 B9R1.35 c1c(sc(n1)C(=O)O)N PB37974 [0,0,0,0,0,0|4,0,0]=4 88 B9R1.35 c1c(sc(n1)N)C(=O)O AB23200 [0,0,0,0,0,0|3,0,0]=3 89 B9R1.35 c1cc(sc1C(=O)Cl)Cl AB01959 [0,0,0,0,0,0|4,0,0]=4 90 B9R1.35 c1cc(sc1C(=O)O)Br PB21666 [0,0,0,0,0,0|3,0,0]=3 91 B9R1.35 c1cc(sc1C(=O)O)Cl PB12047 [0,0,0,0,0,0|3,0,0]=3 92 B9R1.35 c1cc(sc1C(=O)O)F PB22097 [0,0,0,0,0,0|3,0,0]=3 93 B9R1.35 c1cc(sc1C(=O)O)N MB07244 [0,0,0,0,0,0|3,0,0]=3 94 B8R1.1 C#Cc1cc(sc1)Cl PB33622 [1,0,0,0,0,0|2,0,1]=4 95 B8R1.1 CC1=CN=C(C1)C=O AB43814 [1,0,0,0,0,0|2,0,1]=4 96 B8R1.1 CC1=NC(=CC1)C=O AB43978 [1,0,0,0,0,0|2,0,0]=3 97 B8R1.1 CC1=NC(=NC1)C=O AB22828 [1,0,0,0,0,0|3,0,0]=4 98 B8R1.1 CC1=NN=C(C1)C=O AB49641 [1,0,0,0,0,0|2,0,1]=4 99 B8R1.1 Cc1[nH]c(cn1)C=O AB05024 [1,0,0,0,0,0|2,0,0]=3 100 B8R1.1 Cc1[nH]c(cn1)CO AB57908 [1,0,0,0,0,0|2,0,1]=4 101 B8R1.1 Cc1[nH]c(nn1)C=O AB57354 [1,0,0,0,0,0|3,0,0]=4 102 B8R1.1 Cc1cc(on1)C=O CB11269 [1,0,0,0,0,0|2,0,0]=3 103 B8R1.1 Cc1ccc(s1)C=O AB00417 [1,0,0,0,0,0|2,0,0]=3 104 B8R1.1 Cc1cnc(s1)C=O AB43202 [1,0,0,0,0,0|3,0,0]=4 105 B8R1.1 Cc1coc(n1)C=O PB28183 [1,0,0,0,0,0|3,0,0]=4 106 B8R1.1 Cc1csc(n1)C=O PB14084 [1,0,0,0,0,0|3,0,0]=4 107 B8R1.1 Cc1nc(co1)C=O AB13940 [1,0,0,0,0,0|1,1,0]=3 108 B8R1.1 Cc1nc(co1)CO AB48508 [1,0,0,0,0,0|1,1,1]=4 109 B8R1.1 Cc1nc(cs1)C=O AB25415 [1,0,0,0,0,0|1,0,0]=2 110 B8R1.1 Cc1nc(cs1)CCl AB02129 [1,0,0,0,0,0|2,0,1]=4 111 B8R1.1 Cc1nc(cs1)CN AB23320 [1,0,0,0,0,0|2,0,1]=4 112 B8R1.1 Cc1nc(on1)C=O AB57238 [1,0,0,0,0,0|3,0,0]=4 113 B8R1.1 Cc1ncc(o1)C=O AB27658 [1,0,0,0,0,0|2,0,0]=3 114 B8R1.1 Cc1ncc(s1)C=O CB11336 [1,0,0,0,0,0|2,0,0]=3 115 B8R1.1 Cc1nnc(o1)C=O AB57523 [1,0,0,0,0,0|3,0,0]=4 116 B8R1.1 Cc1nnc(s1)C=O AB62638 [1,0,0,0,0,0|3,0,0]=4 117 B8R1.1 Cn1cc(cn1)C=O PB23185 [1,0,0,0,0,0|2,0,0]=3 118 B8R1.1 Cn1cc(cn1)CO PB19942 [1,0,0,0,0,0|2,0,1]=4 119 B8R1.1 Cn1cc(nc1)C=O PB24797 [1,0,0,0,0,0|3,0,0]=4 120 B8R1.1 Cn1cc(nn1)C=O AB57105 [1,0,0,0,0,0|3,0,0]=4 121 B8R1.1 Cn1ccc(c1)CO AB09760 [1,0,0,0,0,0|2,0,1]=4 122 B8R1.1 Cn1ccc(n1)C=O AB14508 [1,0,0,0,0,0|3,0,0]=4 123 B8R1.1 c1c(csc1Br)C#N PB13420 [1,0,0,0,0,0|2,0,1]=4 124 B8R1.1 c1c(csc1Br)C=O PB31345 [1,0,0,0,0,0|1,0,0]=2 125 B8R1.1 c1c(csc1Br)CN PB32960 [1,0,0,0,0,0|2,0,1]=4 126 B8R1.1 c1c(csc1C=O)Br PB24526 [1,0,0,0,0,0|3,0,0]=4 127 B8R1.1 c1c(csc1C=O)Cl PB20572 [1,0,0,0,0,0|3,0,0]=4 128 B8R1.1 c1c(csc1Cl)C#N PB27087 [1,0,0,0,0,0|2,0,1]=4 129 B8R1.1 c1c(csc1Cl)C=O PB18241 [1,0,0,0,0,0|1,0,0]=2 130 B8R1.1 c1c(csc1Cl)CN PB15278 [1,0,0,0,0,0|2,0,1]=4 131 B8R1.1 c1c(csc1Cl)CO PB13604 [1,0,0,0,0,0|1,0,1]=3 132 B8R1.1 c1c(nc(o1)Cl)C=O AB68328 [1,0,0,0,0,0|2,1,0]=4 133 B8R1.1 c1c(onc1Br)C=O AB52798 [1,0,0,0,0,0|3,0,0]=4 134 B8R1.1 c1c(sc(n1)Br)C=O AB16053 [1,0,0,0,0,0|3,0,0]=4 135 B8R1.1 c1c(sc(n1)Cl)C=O PB14244 [1,0,0,0,0,0|3,0,0]=4 136 B8R1.1 c1c(sc(n1)N)C=O AB11362 [1,0,0,0,0,0|3,0,0]=4 137 B8R1.1 c1cc(sc1C=O)Br PB32069 [1,0,0,0,0,0|3,0,0]=4 138 B8R1.1 c1cc(sc1C=O)Cl PB17085 [1,0,0,0,0,0|3,0,0]=4 139 B8R1.7 B(c1ccoc1)(O)O AB08822 [1,0,0,0,0,0|1,1,1]=4 140 B8R1.7 B(c1ccsc1)(O)O PB18451 [1,0,0,0,0,0|1,0,1]=3 141 B8R1.7 B(c1cnsc1)(O)O AB74094 [1,0,0,0,0,0|2,0,1]=4 142 B8R1.7 B(c1cscn1)(O)O AB54186 [1,0,0,0,0,0|2,0,1]=4 143 B8R1.7 C1=NC=NC1C(=O)O AB03082 [1,0,0,0,0,0|2,0,1]=4 144 B8R1.7 C1=NN=CC1C(=O)O PB30547 [1,0,0,0,0,0|2,0,1]=4 145 B8R1.7 C1C=C(C=N1)C(=O)O MB01464 [1,0,0,0,0,0|1,0,1]=3 146 B8R1.7 C1C=C(N=N1)C(=O)O AB06191 [1,0,0,0,0,0|2,0,1]=4 147 B8R1.7 C1C=C(N=N1)C(=O)O PB17100 [1,0,0,0,0,0|2,0,1]=4 148 B8R1.7 C1COC=C1C(=O)O PB26262 [1,0,0,0,0,0|0,1,2]=4 149 B8R1.7 CC(=O)C1=CN=CC1 AB02749 [1,0,0,0,0,0|2,0,1]=4 150 B8R1.7 CC(=O)c1ccsc1 PB17033 [1,0,0,0,0,0|1,0,0]=2 151 B8R1.7 CC(=O)c1cocn1 AB73503 [1,0,0,0,0,0|2,1,0]=4 152 B8R1.7 c1[nH]c(nn1)C(=O)O AB04453 [1,0,0,0,0,0|3,0,0]=4 153 B8R1.7 c1[nH]nc(n1)C(=O)O AB02998 [1,0,0,0,0,0|3,0,0]=4 154 B8R1.7 c1c(con1)C(=O)O AB27926 [1,0,0,0,0,0|1,1,0]=3 155 B8R1.7 c1c(csn1)C(=O)O AB48586 [1,0,0,0,0,0|1,0,0]=2 156 B8R1.7 c1c(nco1)C(=O)O PB14470 [1,0,0,0,0,0|1,1,0]=3 157 B8R1.7 c1c(nco1)C(=O)[O-] AB28203 [1,0,0,0,0,0|1,1,1]=4 158 B8R1.7 c1c(ncs1)C(=O)N AB06564 [1,0,0,0,0,0|2,0,0]=3 159 B8R1.7 c1c(ncs1)C(=O)O AB06561 [1,0,0,0,0,0|1,0,0]=2 160 B8R1.7 c1c(ncs1)C(=S)N AB19864 [1,0,0,0,0,0|2,1,0]=4 161 B8R1.7 c1c(non1)C(=O)O AB06534 [1,0,0,0,0,0|2,1,0]=4 162 B8R1.7 c1c(nsn1)C(=O)O AB09086 [1,0,0,0,0,0|2,0,0]=3 163 B8R1.7 c1c(ocn1)C(=O)N AB19298 [1,0,0,0,0,0|3,0,0]=4 164 B8R1.7 c1c(ocn1)C(=O)O AB19293 [1,0,0,0,0,0|2,0,0]=3 165 B8R1.7 c1c(scn1)C(=O)O AB15430 [1,0,0,0,0,0|2,0,0]=3 166 B8R1.7 c1cnsc1C(=O)O AB32452 [1,0,0,0,0,0|2,0,0]=3 167 B8R1.7 c1coc(n1)C(=O)O AB19305 [1,0,0,0,0,0|3,0,0]=4 168 B8R1.7 c1cocc1C(=O)O PB30525 [1,0,0,0,0,0|0,1,0]=2 169 B8R1.7 c1conc1C(=O)O PB26232 [1,0,0,0,0,0|1,1,0]=3 170 B8R1.7 c1csc(n1)C(=O)O AB10888 [1,0,0,0,0,0|3,0,0]=4 171 B8R1.7 c1cscc1C(=O)O PB18386 [1,0,0,0,0,0|0,0,0]=1 172 B8R1.7 c1csnc1C(=O)O PB34433 [1,0,0,0,0,0|1,0,0]=2 173 B8R1.7 c1nnc(o1)C(=O)O AB57583 [1,0,0,0,0,0|3,0,0]=4 174 B10R1.14 CC1=NC(=NC1)C(=O)OC AB53499 [0,1,0,0,0,0|3,0,0]=4 175 B10R1.14 COC(=O)c1cc(cs1)Br PB18709 [0,1,0,0,0,0|3,0,0]=4 176 B10R1.14 COC(=O)c1cc(cs1)Cl PB24460 [0,1,0,0,0,0|3,0,0]=4 177 B10R1.14 COC(=O)c1cc(sc1)Br PB21329 [0,1,0,0,0,0|1,0,0]=2 178 B10R1.14 COC(=O)c1cc(sc1)Cl PB30437 [0,1,0,0,0,0|1,0,0]=2 179 B10R1.14 COC(=O)c1ccc(s1)Br PB24794 [0,1,0,0,0,0|3,0,0]=4 180 B10R1.14 COC(=O)c1ccc(s1)Cl MB03690 [0,1,0,0,0,0|3,0,0]=4 181 B10R1.14 COC(=O)c1cnc(s1)Br AB16048 [0,1,0,0,0,0|3,0,0]=4 182 B10R1.14 COC(=O)c1cnc(s1)N AB16042 [0,1,0,0,0,0|3,0,0]=4 183 B10R1.14 COC(=O)c1csc(n1)Br AB26606 [0,1,0,0,0,0|2,0,0]=3 184 B10R1.14 COC(=O)c1csc(n1)Cl AB26609 [0,1,0,0,0,0|2,0,0]=3 185 B10R1.14 COC(=O)c1csc(n1)N AB06554 [0,1,0,0,0,0|2,0,0]=3 186 B10R1.14 Cc1[nH]c(nn1)C(=O)OC AB53506 [0,1,0,0,0,0|3,0,0]=4 187 B10R1.14 Cc1cc(no1)C(=O)NN AB10698 [0,1,0,0,0,0|2,1,0]=4 188 B10R1.14 Cc1ccc(s1)C(=O)OC AB23205 [0,1,0,0,0,0|2,0,0]=3 189 B10R1.14 Cc1cnc(o1)C(=O)OC AB53495 [0,1,0,0,0,0|3,0,0]=4 190 B10R1.14 Cc1cnc(s1)C(=O)OC AB10517 [0,1,0,0,0,0|3,0,0]=4 191 B10R1.14 Cc1csc(n1)C(=O)OC AB44701 [0,1,0,0,0,0|3,0,0]=4 192 B10R1.14 Cc1nc(co1)C(=O)OC AB13936 [0,1,0,0,0,0|1,1,0]=3 193 B10R1.14 Cc1nc(no1)C(=O)OC AB44667 [0,1,0,0,0,0|2,1,0]=4 194 B10R1.14 Cc1ncc(o1)C(=O)OC AB27653 [0,1,0,0,0,0|2,0,0]=3 195 B10R1.31 B(c1cc(sc1)C=O)(O)O AB12891 [0,1,0,0,0,0|1,0,2]=4 196 B10R1.31 CCc1[nH]c(cn1)C(=O)O AB23181 [0,1,0,0,0,0|2,0,0]=3 197 B10R1.31 CCc1[nH]c(nn1)C(=O)O AB57427 [0,1,0,0,0,0|3,0,0]=4 198 B10R1.31 CCc1cc(no1)C(=O)O AB22807 [0,1,0,0,0,0|1,1,0]=3 199 B10R1.31 CCc1nc(on1)C(=O)O AB55980 [0,1,0,0,0,0|3,0,0]=4 200 B10R1.31 CCc1nnc(o1)C(=O)O AB57587 [0,1,0,0,0,0|3,0,0]=4 201 B10R1.31 CCn1cc(nn1)C(=O)O AB71500 [0,1,0,0,0,0|3,0,0]=4 202 B10R1.31 COc1cc(on1)C(=O)O AB31988 [0,1,0,0,0,0|2,0,0]=3 203 B10R1.31 COc1ncc(s1)C(=O)O AB50992 [0,1,0,0,0,0|2,0,0]=3 204 B10R1.58 B(c1cc(n(c1)C)C)(O)O MB18109 [0,1,0,0,0,0|2,0,1]=4 205 B10R1.58 Cc1cc(nn1C)C(=O)O AB03175 [0,1,0,0,0,0|2,0,0]=3 206 B10R1.58 Cc1nc(nn1C)C(=O)O AB84872 [0,1,0,0,0,0|3,0,0]=4 207 B10R1.58 Cn1c(cc(n1)C(=O)O)N PB19094 [0,1,0,0,0,0|3,0,0]=4 208 B10R1.58 Cn1c(cc(n1)C(=O)O)O AB62568 [0,1,0,0,0,0|3,0,0]=4 209 B10R1.59 B(c1cc(sc1Cl)Cl)(O)O AB53384 [0,1,0,0,0,0|2,0,1]=4 210 B10R1.59 CC1=C(N=C(C1)C)C(=O)O AB12161 [0,1,0,0,0,0|2,0,0]=3 211 B10R1.59 Cc1c(cc(s1)Cl)C(=O)N AB65699 [0,1,0,0,0,0|2,0,0]=3 212 B10R1.59 Cc1c(cn(n1)C)C(=O)C AB06270 [0,1,0,0,0,0|3,0,0]=4 213 B10R1.59 Cc1c(cn(n1)C)C(=O)O AB06177 [0,1,0,0,0,0|2,0,0]=3 214 B10R1.59 Cc1cc(c(o1)C)C(=O)O AB03078 [0,1,0,0,0,0|0,1,0]=2 215 B10R1.59 Cc1cc(c(s1)N)C(=O)N AB03142 [0,1,0,0,0,0|1,0,0]=2 216 B10R1.59 Cc1cc(c(s1)N)C(=O)O AB22303 [0,1,0,0,0,0|0,0,0]=1 217 B10R1.59 Cc1cc(n(n1)C)C(=O)C AB20875 [0,1,0,0,0,0|3,0,0]=4 218 B10R1.59 Cc1cc(n(n1)C)C(=O)O PB14132 [0,1,0,0,0,0|2,0,0]=3 219 B10R1.59 Cc1cc(sc1C(=O)O)Br CB11471 [0,1,0,0,0,0|3,0,0]=4 220 B10R1.59 Cn1c(cc(n1)Cl)C(=O)O PB35003 [0,1,0,0,0,0|3,0,0]=4 221 B10R1.59 Cn1cc(c(n1)C(=O)O)Br CB10384 [0,1,0,0,0,0|3,0,0]=4 222 B10R1.59 Cn1cc(cc1C(=O)O)N AB42940 [0,1,0,0,0,0|3,0,0]=4 223 B10R1.59 c1c(c(sc1Br)Cl)C(=O)O MB19768 [0,1,0,0,0,0|1,0,0]=2 224 B10R1.59 c1c(c(sc1Cl)Cl)C(=O)O PB12074 [0,1,0,0,0,0|1,0,0]=2 225 B10R1.59 c1c(cn(c1C(=O)O)N)Br MB14547 [0,1,0,0,0,0|3,0,0]=4 226 B10R1.194 CC1=C(C(=NC1)C(=O)O)C PB17071 [0,1,0,0,0,0|2,0,0]=3 227 B10R1.194 Cc1cnc(n1C)C(=O)O AB70178 [0,1,0,0,0,0|3,0,0]=4 228 B10R1.194 Cc1ncc(n1C)C(=O)C AB45828 [0,1,0,0,0,0|3,0,0]=4 229 B10R1.194 Cc1nnc(n1C)C(=O)O AB84875 [0,1,0,0,0,0|3,0,0]=4 230 B10R1.194 Cn1c(c(cn1)C(=O)O)N MB01617 [0,1,0,0,0,0|2,0,0]=3 231 B10R1.194 Cn1c(c(nn1)C(=O)O)N AB69772 [0,1,0,0,0,0|3,0,0]=4 232 B10R1.194 Cn1c(cnc1Br)C(=O)O AB56938 [0,1,0,0,0,0|3,0,0]=4 233 B10R1.194 Cn1c(cnc1Cl)C(=O)O AB56929 [0,1,0,0,0,0|3,0,0]=4 234 B10R1.194 c1c(c(c(s1)C(=O)O)N)Br AB65684 [0,1,0,0,0,0|3,0,0]=4 235 B10R1.13 B(c1ccc(cc1)C)(O)O AB01767 [0,0,0,0,0,1|2,0,1]=4 236 B10R1.13 B(c1ccc(cn1)C)(O)O AB06946 [0,0,0,0,0,1|2,0,1]=4 237 B10R1.13 B(c1ccc(nc1)C)(O)O AB30208 [0,0,0,0,0,1|2,0,1]=4 238 B10R1.13 B(c1cnc(cn1)C)(O)O AB54260 [0,0,0,0,0,1|2,0,1]=4 239 B10R1.13 B(c1cnc(nc1)C)(O)O PB29430 [0,0,0,0,0,1|2,0,1]=4 240 B10R1.13 CC(=O)c1ccc(cn1)Br AB21518 [0,0,0,0,0,1|3,0,0]=4 241 B10R1.13 CC(=O)c1ccc(cn1)Cl AB41101 [0,0,0,0,0,1|3,0,0]=4 242 B10R1.13 CC(=O)c1ccc(cn1)F AB62503 [0,0,0,0,0,1|3,0,0]=4 243 B10R1.13 CC(=O)c1ccc(cn1)N AB60315 [0,0,0,0,0,1|3,0,0]=4 244 B10R1.13 CC(=O)c1ccc(cn1)O AB60308 [0,0,0,0,0,1|3,0,0]=4 245 B10R1.13 CC(=O)c1ccc(nc1)Br AB21520 [0,0,0,0,0,1|3,0,0]=4 246 B10R1.13 CC(=O)c1ccc(nc1)Cl AB14033 [0,0,0,0,0,1|3,0,0]=4 247 B10R1.13 CC(=O)c1ccc(nc1)F AB41115 [0,0,0,0,0,1|3,0,0]=4 248 B10R1.13 CC(=O)c1ccc(nc1)N AB49552 [0,0,0,0,0,1|3,0,0]=4 249 B10R1.13 CC(=O)c1ccc(nc1)O AB60297 [0,0,0,0,0,1|3,0,0]=4 250 B10R1.13 CC(=O)c1cnc(cn1)Cl AB65450 [0,0,0,0,0,1|3,0,0]=4 251 B10R1.13 CC(=O)c1cnc(nc1)Cl AB59098 [0,0,0,0,0,1|3,0,0]=4 252 B10R1.13 Cc1ccc(cc1)C(=N)N AB01792 [0,0,0,0,0,1|3,0,0]=4 253 B10R1.13 Cc1ccc(cc1)C(=S)N AB04365 [0,0,0,0,0,1|2,1,0]=4 254 B10R1.13 Cc1ccc(cn1)C(=O)C AB03568 [0,0,0,0,0,1|2,0,0]=3 255 B10R1.13 Cc1ccc(cn1)C(=O)Cl AB44670 [0,0,0,0,0,1|2,0,0]=3 256 B10R1.13 Cc1ccc(cn1)C(=O)O AB00723 [0,0,0,0,0,1|1,0,0]=2 257 B10R1.13 Cc1ccc(cn1)[N+](=O)[O-] PB18660 [0,0,0,0,0,1|2,0,1]=4 258 B10R1.13 Cc1ccc(nc1)C(=O)C AB25779 [0,0,0,0,0,1|2,0,0]=3 259 B10R1.13 Cc1ccc(nc1)C(=O)O AB09798 [0,0,0,0,0,1|1,0,0]=2 260 B10R1.13 Cc1ccc(nn1)C(=O)C AB75459 [0,0,0,0,0,1|3,0,0]=4 261 B10R1.13 Cc1ccc(nn1)C(=O)O AB52759 [0,0,0,0,0,1|2,0,0]=3 262 B10R1.13 Cc1cnc(cn1)C(=O)C AB02269 [0,0,0,0,0,1|2,0,0]=3 263 B10R1.13 Cc1cnc(cn1)C(=O)N CB10282 [0,0,0,0,0,1|2,0,0]=3 264 B10R1.13 Cc1cnc(cn1)C(=O)O PB12995 [0,0,0,0,0,1|1,0,0]=2 265 B10R1.13 Cc1cnc(nc1)C(=O)O PB29748 [0,0,0,0,0,1|2,0,0]=3 266 B10R1.13 Cc1ncc(cn1)C(=O)O PB27884 [0,0,0,0,0,1|1,0,0]=2 267 B10R1.13 Cc1ncc(cn1)[N+](=O)[O-] PB32192 [0,0,0,0,0,1|2,0,1]=4 268 B10R1.13 c1c(cnc(n1)Br)C(=O)N MB14155 [0,0,0,0,0,1|3,0,0]=4 269 B10R1.13 c1c(cnc(n1)C(=O)O)Br PB33902 [0,0,0,0,0,1|3,0,0]=4 270 B10R1.13 c1c(cnc(n1)C(=O)O)Cl PB13081 [0,0,0,0,0,1|3,0,0]=4 271 B10R1.13 c1c(cnc(n1)C(=O)O)F PB31127 [0,0,0,0,0,1|3,0,0]=4 272 B10R1.13 c1c(cnc(n1)C(=O)O)N PB34128 [0,0,0,0,0,1|3,0,0]=4 273 B10R1.13 c1c(cnc(n1)Cl)C(=O)O PB24941 [0,0,0,0,0,1|2,0,0]=3 274 B10R1.13 c1c(cnc(n1)N)C(=O)O AB22915 [0,0,0,0,0,1|2,0,0]=3 275 B10R1.13 c1c(cnc(n1)O)C(=O)O PB14569 [0,0,0,0,0,1|2,0,0]=3 276 B10R1.13 c1c(ncc(n1)Br)C(=O)N MB14265 [0,0,0,0,0,1|3,0,0]=4 277 B10R1.13 c1c(ncc(n1)Br)C(=O)O AB54768 [0,0,0,0,0,1|2,0,0]=3 278 B10R1.13 c1c(ncc(n1)Cl)C(=O)O PB34349 [0,0,0,0,0,1|2,0,0]=3 279 B10R1.13 c1c(ncc(n1)N)C(=O)O PB32499 [0,0,0,0,0,1|2,0,0]=3 280 B10R1.13 c1c(ncc(n1)O)C(=O)O PB32161 [0,0,0,0,0,1|2,0,0]=3 281 B10R1.13 c1cc(ncc1Br)C(=O)O PB32197 [0,0,0,0,0,1|2,0,0]=3 282 B10R1.13 c1cc(ncc1Br)C(=O)[O-] AB42654 [0,0,0,0,0,1|2,0,1]=4 283 B10R1.13 c1cc(ncc1C(=O)Cl)F AB42627 [0,0,0,0,0,1|3,0,0]=4 284 B10R1.13 c1cc(ncc1C(=O)N)Br MB01098 [0,0,0,0,0,1|3,0,0]=4 285 B10R1.13 c1cc(ncc1C(=O)O)Br PB18554 [0,0,0,0,0,1|2,0,0]=3 286 B10R1.13 c1cc(ncc1C(=O)O)Cl AB00659 [0,0,0,0,0,1|2,0,0]=3 287 B10R1.13 c1cc(ncc1C(=O)O)F AB09999 [0,0,0,0,0,1|2,0,0]=3 288 B10R1.13 c1cc(ncc1C(=O)O)N AB17940 [0,0,0,0,0,1|2,0,0]=3 289 B10R1.13 c1cc(ncc1C(=O)O)N PB21621 [0,0,0,0,0,1|2,0,0]=3 290 B10R1.13 c1cc(ncc1C(=O)O)O PB17040 [0,0,0,0,0,1|2,0,0]=3 291 B10R1.13 c1cc(ncc1Cl)C(=O)O AB17962 [0,0,0,0,0,1|2,0,0]=3 292 B10R1.13 c1cc(ncc1F)C(=O)O AB17969 [0,0,0,0,0,1|2,0,0]=3 293 B10R1.13 c1cc(ncc1N)C(=O)O AB12645 [0,0,0,0,0,1|2,0,0]=3 294 B10R1.13 c1cc(ncc1O)C(=O)N MB11444 [0,0,0,0,0,1|3,0,0]=4 295 B10R1.13 c1cc(ncc1O)C(=O)O PB26027 [0,0,0,0,0,1|2,0,0]=3 296 B10R1.13 c1cc(nnc1C(=O)O)Cl PB27458 [0,0,0,0,0,1|3,0,0]=4 297 B10R1.13 c1cc(nnc1C(=O)O)N PB30836 [0,0,0,0,0,1|3,0,0]=4 298 B10R1.13 c1cc(nnc1C(=O)O)O PB20339 [0,0,0,0,0,1|3,0,0]=4 299 B10R1.54 Cc1[nH]c(nn1)CC(=O)O AB22814 [0,0,0,0,0,1|3,0,0]=4 300 B10R1.54 Cc1ccn(n1)CC(=O)O AB14474 [0,0,0,0,0,1|3,0,0]=4 301 B10R1.54 Cc1nc(cs1)CC(=O)O AB12126 [0,0,0,0,0,1|1,0,0]=2 302 B10R1.54 Cc1ncc(o1)CC(=O)C AB44093 [0,0,0,0,0,1|3,0,0]=4 303 B10R1.54 Cn1cc(nc1)CC(=O)O CB11156 [0,0,0,0,0,1|3,0,0]=4 304 B10R1.54 c1c(sc(n1)N)CC(=O)O PB16173 [0,0,0,0,0,1|3,0,0]=4 305 B10R1.113 B(c1cc(ccn1)C)(O)O AB13221 [0,0,0,0,0,1|2,0,1]=4 306 B10R1.113 B(c1cccc(c1)C)(O)O AB01795 [0,0,0,0,0,1|2,0,1]=4 307 B10R1.113 B(c1ccnc(c1)C)(O)O AB13715 [0,0,0,0,0,1|2,0,1]=4 308 B10R1.113 C1C(=O)N=C(C=N1)C(=O)O AB60468 [0,0,0,0,0,1|3,0,0]=4 309 B10R1.113 CC(=O)c1cc(ccn1)Br AB67963 [0,0,0,0,0,1|3,0,0]=4 310 B10R1.113 CC(=O)c1cc(ccn1)Cl AB60198 [0,0,0,0,0,1|3,0,0]=4 311 B10R1.113 CC(=O)c1cc(ccn1)F AB68049 [0,0,0,0,0,1|3,0,0]=4 312 B10R1.113 CC(=O)c1cc(ccn1)O AB69730 [0,0,0,0,0,1|3,0,0]=4 313 B10R1.113 CC(=O)c1cc(cnc1)Br PB20794 [0,0,0,0,0,1|3,0,0]=4 314 B10R1.113 CC(=O)c1cc(cnc1)F AB41114 [0,0,0,0,0,1|3,0,0]=4 315 B10R1.113 CC(=O)c1cc(cnc1)N AB30920 [0,0,0,0,0,1|3,0,0]=4 316 B10R1.113 CC(=O)c1cc(ncn1)Cl AB75829 [0,0,0,0,0,1|3,0,0]=4 317 B10R1.113 CC(=O)c1cc(nnc1)Cl AB76969 [0,0,0,0,0,1|3,0,0]=4 318 B10R1.113 CC(=O)c1ccnc(c1)Br AB31302 [0,0,0,0,0,1|3,0,0]=4 319 B10R1.113 CC(=O)c1ccnc(c1)Cl PB18811 [0,0,0,0,0,1|3,0,0]=4 320 B10R1.113 CC(=O)c1ccnc(c1)F AB50237 [0,0,0,0,0,1|3,0,0]=4 321 B10R1.113 CC(=O)c1ccnc(c1)N AB67454 [0,0,0,0,0,1|3,0,0]=4 322 B10R1.113 Cc1cc(ccn1)C(=O)C AB41122 [0,0,0,0,0,1|2,0,0]=3 323 B10R1.113 Cc1cc(ccn1)C(=O)Cl AB60195 [0,0,0,0,0,1|2,0,0]=3 324 B10R1.113 Cc1cc(ccn1)C(=O)O AB06393 [0,0,0,0,0,1|1,0,0]=2 325 B10R1.113 Cc1cc(ccn1)[N+](=O)[O-] PB24788 [0,0,0,0,0,1|2,0,1]=4 326 B10R1.113 Cc1cc(cnc1)C(=O)O PB12710 [0,0,0,0,0,1|1,0,0]=2 327 B10R1.113 Cc1cc(cnc1)[N+](=O)[O-] AB17987 [0,0,0,0,0,1|2,0,1]=4 328 B10R1.113 Cc1cc(ncn1)C(=O)C AB50216 [0,0,0,0,0,1|2,0,0]=3 329 B10R1.113 Cc1cc(ncn1)C(=O)O PB20450 [0,0,0,0,0,1|1,0,0]=2 330 B10R1.113 Cc1cccc(c1)C(=N)N AB11452 [0,0,0,0,0,1|3,0,0]=4 331 B10R1.113 Cc1cccc(c1)C(=S)N AB08506 [0,0,0,0,0,1|2,1,0]=4 332 B10R1.113 Cc1cccc(n1)C(=O)C AB25782 [0,0,0,0,0,1|3,0,0]=4 333 B10R1.113 Cc1cccc(n1)C(=O)O AB01368 [0,0,0,0,0,1|2,0,0]=3 334 B10R1.113 Cc1ccnc(c1)C(=O)C AB10395 [0,0,0,0,0,1|2,0,0]=3 335 B10R1.113 Cc1ccnc(c1)C(=O)O AB15851 [0,0,0,0,0,1|1,0,0]=2 336 B10R1.113 Cc1ccnc(n1)C(=O)O PB31505 [0,0,0,0,0,1|2,0,0]=3 337 B10R1.113 Cc1cncc(n1)C(=O)O AB48615 [0,0,0,0,0,1|2,0,0]=3 338 B10R1.113 Cc1nccc(n1)C(=O)C AB04788 [0,0,0,0,0,1|3,0,0]=4 339 B10R1.113 c1c(cncc1Cl)C(=O)O PB25983 [0,0,0,0,0,1|2,0,0]=3 340 B10R1.113 c1c(cncc1F)C(=O)O PB23226 [0,0,0,0,0,1|2,0,0]=3 341 B10R1.113 c1c(cncc1N)C(=O)O PB13029 [0,0,0,0,0,1|2,0,0]=3 342 B10R1.113 c1c(cncc1O)C(=O)N MB01725 [0,0,0,0,0,1|3,0,0]=4 343 B10R1.113 c1c(cncc1O)C(=O)O PB33816 [0,0,0,0,0,1|2,0,0]=3 344 B10R1.113 c1c(cnnc1Cl)C(=O)O PB30096 [0,0,0,0,0,1|2,0,0]=3 345 B10R1.113 c1c(nc(cn1)Br)C(=O)O AB69955 [0,0,0,0,0,1|3,0,0]=4 346 B10R1.113 c1c(nc(cn1)Cl)C(=O)O PB21720 [0,0,0,0,0,1|3,0,0]=4 347 B10R1.113 c1c(nc(cn1)N)C(=O)O AB60537 [0,0,0,0,0,1|3,0,0]=4 348 B10R1.113 c1c(ncnc1Br)C(=O)N MB14319 [0,0,0,0,0,1|3,0,0]=4 349 B10R1.113 c1c(ncnc1Cl)C(=O)O AB48398 [0,0,0,0,0,1|2,0,0]=3 350 B10R1.113 c1cc(cc(c1)Br)C(=O)N MB00265 [0,0,0,0,0,1|3,0,0]=4 351 B10R1.113 c1cc(cc(c1)O)C(=O)N MB00281 [0,0,0,0,0,1|3,0,0]=4 352 B10R1.113 c1cc(nc(c1)Br)C(=O)O AB03328 [0,0,0,0,0,1|3,0,0]=4 353 B10R1.113 c1cc(nc(c1)Cl)C(=O)O AB04138 [0,0,0,0,0,1|3,0,0]=4 354 B10R1.113 c1cc(nc(c1)F)C(=O)O AB11487 [0,0,0,0,0,1|3,0,0]=4 355 B10R1.113 c1cc(nc(c1)I)C(=O)O AB42497 [0,0,0,0,0,1|3,0,0]=4 356 B10R1.113 c1cc(nc(c1)N)C(=O)O PB23179 [0,0,0,0,0,1|3,0,0]=4 357 B10R1.113 c1cnc(cc1Br)C(=O)O PB21234 [0,0,0,0,0,1|2,0,0]=3 358 B10R1.113 c1cnc(cc1C(=O)N)Br AB05162 [0,0,0,0,0,1|3,0,0]=4 359 B10R1.113 c1cnc(cc1C(=O)N)Cl AB04952 [0,0,0,0,0,1|3,0,0]=4 360 B10R1.113 c1cnc(cc1C(=O)N)N AB16207 [0,0,0,0,0,1|3,0,0]=4 361 B10R1.113 c1cnc(cc1C(=O)O)Br AB09563 [0,0,0,0,0,1|2,0,0]=3 362 B10R1.113 c1cnc(cc1C(=O)O)Cl PB12125 [0,0,0,0,0,1|2,0,0]=3 363 B10R1.113 c1cnc(cc1C(=O)O)F AB11490 [0,0,0,0,0,1|2,0,0]=3 364 B10R1.113 c1cnc(cc1C(=O)O)I AB29977 [0,0,0,0,0,1|2,0,0]=3 365 B10R1.113 c1cnc(cc1C(=O)O)N PB19872 [0,0,0,0,0,1|2,0,0]=3 366 B10R1.113 c1cnc(cc1C(=O)O)O PB29144 [0,0,0,0,0,1|2,0,0]=3 367 B10R1.113 c1cnc(cc1Cl)C(=O)N AB08235 [0,0,0,0,0,1|3,0,0]=4 368 B10R1.113 c1cnc(cc1Cl)C(=O)O AB04585 [0,0,0,0,0,1|2,0,0]=3 369 B10R1.113 c1cnc(cc1F)C(=O)O AB40659 [0,0,0,0,0,1|2,0,0]=3 370 B10R1.113 c1cnc(cc1I)C(=O)O AB28008 [0,0,0,0,0,1|2,0,0]=3 371 B10R1.113 c1cnc(cc1I)C(=O)O PB20818 [0,0,0,0,0,1|2,0,0]=3 372 B10R1.113 c1cnc(cc1N)C(=O)N AB43415 [0,0,0,0,0,1|3,0,0]=4 373 B10R1.113 c1cnc(cc1N)C(=O)O PB23313 [0,0,0,0,0,1|2,0,0]=3 374 B10R1.113 c1cnc(cc1O)C(=O)N MB05243 [0,0,0,0,0,1|3,0,0]=4 375 B10R1.113 c1cnc(cc1O)C(=O)O AB06407 [0,0,0,0,0,1|2,0,0]=3 376 B10R1.113 c1cnc(nc1C(=O)O)Cl AB28457 [0,0,0,0,0,1|3,0,0]=4 377 B10R1.113 c1cnc(nc1C(=O)O)N AB42844 [0,0,0,0,0,1|3,0,0]=4 378 B10R1.113 c1cnc(nc1Cl)C(=O)O AB55866 [0,0,0,0,0,1|3,0,0]=4 379 B7R1.1 C1C=C(C=N1)C=O AB15013 [2,0,0,0,0,0|1,0,1]=4 380 B7R1.1 c1c(con1)C=O AB11289 [2,0,0,0,0,0|1,1,0]=4 381 B7R1.1 c1c(csn1)C=O AB62620 [2,0,0,0,0,0|1,0,0]=3 382 B7R1.1 c1c(nco1)C=O PB23292 [2,0,0,0,0,0|1,1,0]=4 383 B7R1.1 c1c(ncs1)C=O AB06592 [2,0,0,0,0,0|1,0,0]=3 384 B7R1.1 c1c(ncs1)CO AB20478 [2,0,0,0,0,0|1,0,1]=4 385 B7R1.1 c1c(ocn1)C=O AB11283 [2,0,0,0,0,0|2,0,0]=4 386 B7R1.1 c1c(scn1)C=O AB11293 [2,0,0,0,0,0|2,0,0]=4 387 B7R1.1 c1cnsc1C=O AB32448 [2,0,0,0,0,0|2,0,0]=4 388 B7R1.1 c1conc1C=O PB26237 [2,0,0,0,0,0|1,1,0]=4 389 B7R1.1 c1cscc1C#N PB27442 [2,0,0,0,0,0|1,0,1]=4 390 B7R1.1 c1cscc1C=O PB14065 [2,0,0,0,0,0|0,0,0]=2 391 B7R1.1 c1cscc1CN AB13999 [2,0,0,0,0,0|1,0,1]=4 392 B7R1.1 c1cscc1CN PB12237 [2,0,0,0,0,0|1,0,1]=4 393 B7R1.1 c1cscc1CO PB10036 [2,0,0,0,0,0|0,0,1]=3 394 B7R1.2 Cc1cc(cs1)Br AB20690 [2,0,0,0,0,0|1,0,0]=3 395 B7R1.2 Cc1cc(sc1)C CB10250 [2,0,0,0,0,0|0,0,1]=3 396 B7R1.2 Cc1nc(cs1)Br AB23819 [2,0,0,0,0,0|2,0,0]=4 397 B7R1.2 c1c(csc1Cl)N PB15475 [2,0,0,0,0,0|2,0,0]=4 398 B9R1.21 CCc1[nH]c(cn1)C=O AB08501 [1,1,0,0,0,0|2,0,0]=4 399 B9R1.21 COc1[nH]cc(n1)C=O AB57915 [1,1,0,0,0,0|2,0,0]=4 400 B9R1.21 COc1ncc(s1)C=O AB50989 [1,1,0,0,0,0|2,0,0]=4 401 B9R1.21 CSc1[nH]c(cn1)C=O AB56996 [1,1,0,0,0,0|2,0,0]=4 402 B9R1.21 c1c(csc1CCl)C#N AB72604 [1,1,0,0,0,0|1,0,1]=4 403 B9R1.21 c1c(csc1CN)C#N AB45514 [1,1,0,0,0,0|1,0,1]=4 404 B9R1.22 Cc1c(cn(n1)C)C=O AB04183 [1,1,0,0,0,0|2,0,0]=4 405 B9R1.22 Cc1c(nc(s1)C)CO AB62860 [1,1,0,0,0,0|1,0,1]=4 406 B9R1.22 Cc1c(oc(n1)C)C=O AB27656 [1,1,0,0,0,0|2,0,0]=4 407 B9R1.22 Cc1cc(n(n1)C)C=O AB12155 [1,1,0,0,0,0|2,0,0]=4 408 B9R1.23 Cc1cc(sc1Br)C=O PB24914 [1,1,0,0,0,0|2,0,0]=4 409 B9R1.132 CC1=C(C(=NC1)C=O)C PB21628 [1,1,0,0,0,0|2,0,0]=4 410 B9R1.132 Cn1c(c(cn1)C=O)Cl AB71399 [1,1,0,0,0,0|2,0,0]=4 411 B9R1.11 COC(=O)C1=CN=CC1 AB07842 [1,1,0,0,0,0|1,0,1]=4 412 B9R1.11 COC(=O)c1ccsc1 PB18711 [1,1,0,0,0,0|0,0,0]=2 413 B9R1.11 COC(=O)c1cncs1 AB16044 [1,1,0,0,0,0|2,0,0]=4 414 B9R1.11 COC(=O)c1cnoc1 AB39248 [1,1,0,0,0,0|1,1,0]=4 415 B9R1.11 COC(=O)c1cscn1 AB25133 [1,1,0,0,0,0|1,0,0]=3 416 B9R1.11 C\C(=N/O)\c1ccsc1 AB55504 [1,1,0,0,0,0|1,0,0]=3 417 B9R1.11 c1c(ncs1)C(=O)NN AB06544 [1,1,0,0,0,0|2,0,0]=4 418 B9R1.11 c1cc(sc1)C(=O)O[Cu] AB11500 [1,1,0,0,0,0|2,0,0]=4 419 B9R1.11 c1cocc1C(=O)NN MB02283 [1,1,0,0,0,0|1,1,0]=4 420 B9R1.11 c1cscc1C(=O)NN MB01758 [1,1,0,0,0,0|1,0,0]=3 421 B9R1.41 B(c1ccsc1Cl)(O)O AB21733 [1,1,0,0,0,0|1,0,1]=4 422 B9R1.41 B(c1cscc1Br)(O)O AB30026 [1,1,0,0,0,0|1,0,1]=4 423 B9R1.41 B(c1cscc1Cl)(O)O AB72536 [1,1,0,0,0,0|1,0,1]=4 424 B9R1.41 C1C=C(C(=N1)C(=O)O)N AB14781 [1,1,0,0,0,0|2,0,0]=4 425 B9R1.41 CC(=O)c1ccsc1Cl AB72529 [1,1,0,0,0,0|1,0,0]=3 426 B9R1.41 CC(=O)c1ccsc1N AB71423 [1,1,0,0,0,0|1,0,0]=3 427 B9R1.41 Cc1c(ccs1)C(=O)O AB10003 [1,1,0,0,0,0|0,0,0]=2 428 B9R1.41 Cc1c(ncs1)C(=O)O AB27941 [1,1,0,0,0,0|1,0,0]=3 429 B9R1.41 Cc1c(ocn1)C(=O)O MB01897 [1,1,0,0,0,0|2,0,0]=4 430 B9R1.41 Cc1ccoc1C(=O)O AB01137 [1,1,0,0,0,0|2,0,0]=4 431 B9R1.41 Cc1ccsc1C(=O)O AB00421 [1,1,0,0,0,0|2,0,0]=4 432 B9R1.41 Cn1c(ccn1)C(=O)O PB26026 [1,1,0,0,0,0|2,0,0]=4 433 B9R1.41 Cn1cccc1C(=O)O CB10008 [1,1,0,0,0,0|2,0,0]=4 434 B9R1.41 Cn1cncc1C(=O)O PB24704 [1,1,0,0,0,0|2,0,0]=4 435 B9R1.41 c1(c(nsn1)N)C(=O)O CB10423 [1,1,0,0,0,0|2,0,0]=4 436 B9R1.41 c1[nH]c(c(n1)C(=O)O)N AB54857 [1,1,0,0,0,0|2,0,0]=4 437 B9R1.41 c1c(c(cs1)Br)C(=O)O PB14213 [1,1,0,0,0,0|0,0,0]=2 438 B9R1.41 c1coc(c1Br)C(=O)O AB03324 [1,1,0,0,0,0|2,0,0]=4 439 B9R1.41 c1coc(c1I)C(=O)O AB85068 [1,1,0,0,0,0|2,0,0]=4 440 B9R1.41 c1csc(c1Br)C(=O)O PB25929 [1,1,0,0,0,0|2,0,0]=4 441 B9R1.41 c1csc(c1Cl)C(=O)O PB10064 [1,1,0,0,0,0|2,0,0]=4 442 B9R1.41 c1csc(c1N)C(=O)O AB14784 [1,1,0,0,0,0|2,0,0]=4 443 B9R1.164 CC1(CC(=C1)C(=O)O)C PB18244 [0,1,0,0,1,0|0,0,2]=4 444 B11R1.3 CC(=O)c1ccc(cn1)OC PB14835 [0,1,0,0,0,1|2,0,0]=4 445 B11R1.3 CC(=O)c1ccc(nc1)OC AB22367 [0,1,0,0,0,1|2,0,0]=4 446 B11R1.3 CC(=O)c1cnc(cn1)OC AB69890 [0,1,0,0,0,1|2,0,0]=4 447 B11R1.3 CNc1ncc(cn1)C(=O)O AB43554 [0,1,0,0,0,1|1,0,0]=3 448 B11R1.3 COc1ccc(cc1)C(=O)N AB00908 [0,1,0,0,0,1|2,0,0]=4 449 B11R1.3 COc1ccc(cn1)C(=O)O PB30805 [0,1,0,0,0,1|1,0,0]=3 450 B11R1.3 COc1ccc(nc1)C(=O)O PB17398 [0,1,0,0,0,1|1,0,0]=3 451 B11R1.3 COc1ccc(nn1)C(=O)O AB52589 [0,1,0,0,0,1|2,0,0]=4 452 B11R1.3 COc1cnc(cn1)C(=O)O AB60459 [0,1,0,0,0,1|1,0,0]=3 453 B11R1.3 COc1ncc(cn1)C(=O)O AB43547 [0,1,0,0,0,1|1,0,0]=3 454 B11R1.3 CSc1ncc(cn1)C(=O)O PB17421 [0,1,0,0,0,1|1,0,0]=3 455 B11R1.3 c1c(cnc(n1)C#N)C(=O)O PB24031 [0,1,0,0,0,1|1,0,1]=4 456 B11R1.3 c1cc(ncc1C#N)C(=O)O AB49711 [0,1,0,0,0,1|1,0,1]=4 457 B11R1.3 c1cc(ncc1C(=O)O)C#N AB08639 [0,1,0,0,0,1|1,0,1]=4 458 B11R1.3 c1cc(ncc1C(=O)O)CN AB23462 [0,1,0,0,0,1|1,0,0]=3 459 B11R1.3 c1cc(ncc1C(=O)O)NN PB27614 [0,1,0,0,0,1|2,0,0]=4 460 B11R1.3 c1cc(ncc1C=O)C(=O)O AB63121 [0,1,0,0,0,1|1,0,1]=4 461 B11R1.21 Cc1c(cc(cn1)C(=O)C)Cl AB74646 [0,1,0,0,0,1|2,0,0]=4 462 B11R1.21 Cc1c(cc(cn1)C(=O)C)F AB83026 [0,1,0,0,0,1|2,0,0]=4 463 B11R1.21 Cc1c(cc(cn1)C(=O)O)Br AB74944 [0,1,0,0,0,1|1,0,0]=3 464 B11R1.21 Cc1c(cc(cn1)C(=O)O)Cl AB74644 [0,1,0,0,0,1|1,0,0]=3 465 B11R1.21 Cc1c(cc(cn1)C(=O)O)F AB71562 [0,1,0,0,0,1|1,0,0]=3 466 B11R1.21 Cc1c(cc(cn1)C(=O)O)N PB30351 [0,1,0,0,0,1|1,0,0]=3 467 B11R1.21 Cc1c(cc(cn1)C(=O)O)O AB74651 [0,1,0,0,0,1|1,0,0]=3 468 B11R1.21 Cc1c(ccc(n1)C(=O)O)Cl AB74921 [0,1,0,0,0,1|2,0,0]=4 469 B11R1.21 Cc1c(ccc(n1)C(=O)O)F AB62793 [0,1,0,0,0,1|2,0,0]=4 470 B11R1.21 Cc1c(nc(cn1)C(=O)C)C AB21776 [0,1,0,0,0,1|2,0,0]=4 471 B11R1.21 Cc1c(nc(cn1)C(=O)O)C AB13799 [0,1,0,0,0,1|1,0,0]=3 472 B11R1.21 Cc1c(ncc(n1)C(=O)O)Cl AB71835 [0,1,0,0,0,1|2,0,0]=4 473 B11R1.21 Cc1c(ncc(n1)C(=O)O)F AB85697 [0,1,0,0,0,1|2,0,0]=4 474 B11R1.21 Cc1cc(cnc1Br)C(=O)O AB62965 [0,1,0,0,0,1|2,0,0]=4 475 B11R1.21 Cc1cc(cnc1C)C(=O)C AB75410 [0,1,0,0,0,1|2,0,0]=4 476 B11R1.21 Cc1cc(cnc1C)C(=O)O AB66691 [0,1,0,0,0,1|1,0,0]=3 477 B11R1.21 Cc1cc(cnc1Cl)C(=O)O AB71754 [0,1,0,0,0,1|2,0,0]=4 478 B11R1.21 Cc1cc(cnc1F)C(=O)O AB42633 [0,1,0,0,0,1|2,0,0]=4 479 B11R1.21 Cc1cc(ncc1Br)C(=O)O AB41173 [0,1,0,0,0,1|2,0,0]=4 480 B11R1.21 Cc1cc(ncc1C)C(=O)C AB74626 [0,1,0,0,0,1|2,0,0]=4 481 B11R1.21 Cc1cc(ncc1C)C(=O)O AB64943 [0,1,0,0,0,1|1,0,0]=3 482 B11R1.21 Cc1cc(ncc1Cl)C(=O)O AB41176 [0,1,0,0,0,1|2,0,0]=4 483 B11R1.21 Cc1cc(ncc1F)C(=O)O AB74791 [0,1,0,0,0,1|2,0,0]=4 484 B11R1.21 Cc1ccc(cc1O)C(=O)N AB63532 [0,1,0,0,0,1|2,0,0]=4 485 B11R1.21 Cc1ccc(nc1C)C(=O)C AB74623 [0,1,0,0,0,1|2,0,0]=4 486 B11R1.21 Cc1ccc(nc1C)C(=O)O AB62927 [0,1,0,0,0,1|1,0,0]=3 487 B11R1.21 Cc1ccc(nc1Cl)C(=O)C AB75095 [0,1,0,0,0,1|2,0,0]=4 488 B11R1.21 Cc1ccc(nc1Cl)C(=O)O AB66617 [0,1,0,0,0,1|1,0,0]=3 489 B11R1.21 Cc1ccc(nc1F)C(=O)C AB75167 [0,1,0,0,0,1|2,0,0]=4 490 B11R1.21 Cc1ccc(nc1F)C(=O)O AB72844 [0,1,0,0,0,1|1,0,0]=3 491 B11R1.21 Cc1cnc(c[n+]1[O-])C(=O)O MB01535 [0,1,0,0,0,1|1,0,0]=3 492 B11R1.21 Cc1cnc(cc1Br)C(=O)O AB70164 [0,1,0,0,0,1|1,0,0]=3 493 B11R1.21 Cc1cnc(cc1Cl)C(=O)C AB83277 [0,1,0,0,0,1|2,0,0]=4 494 B11R1.21 Cc1cnc(cc1Cl)C(=O)O AB65446 [0,1,0,0,0,1|1,0,0]=3 495 B11R1.21 Cc1cnc(cc1F)C(=O)C AB82953 [0,1,0,0,0,1|2,0,0]=4 496 B11R1.21 Cc1cnc(cc1F)C(=O)O AB74895 [0,1,0,0,0,1|1,0,0]=3 497 B11R1.21 Cn1cc(ccc1=O)C(=O)O PB21634 [0,1,0,0,0,1|2,0,0]=4 498 B11R1.21 Cn1ccc(cc1=O)C(=O)O PB32349 [0,1,0,0,0,1|2,0,0]=4 499 B11R1.21 c1c(c(cnc1C(=O)O)Br)Cl AB67645 [0,1,0,0,0,1|2,0,0]=4 500 B11R1.21 c1c(c(cnc1C(=O)O)Br)N PB21081 [0,1,0,0,0,1|2,0,0]=4 501 B11R1.21 c1c(c(cnc1C(=O)O)Cl)Cl AB63131 [0,1,0,0,0,1|2,0,0]=4 502 B11R1.21 c1c(c(cnc1C(=O)O)Cl)F AB74911 [0,1,0,0,0,1|2,0,0]=4 503 B11R1.21 c1c(c(cnc1C(=O)O)Cl)N AB75270 [0,1,0,0,0,1|2,0,0]=4 504 B11R1.21 c1c(c(cnc1C(=O)O)Cl)O AB74886 [0,1,0,0,0,1|2,0,0]=4 505 B11R1.21 c1c(c(cnc1C(=O)O)F)Cl AB67663 [0,1,0,0,0,1|2,0,0]=4 506 B11R1.21 c1c(c(cnc1C(=O)O)F)F AB73187 [0,1,0,0,0,1|2,0,0]=4 507 B11R1.21 c1c(c(cnc1C(=O)O)N)Cl AB67747 [0,1,0,0,0,1|2,0,0]=4 508 B11R1.21 c1c(c(cnc1C(=O)O)N)F AB73539 [0,1,0,0,0,1|2,0,0]=4 509 B11R1.21 c1c(c(cnc1C(=O)O)O)Cl AB67787 [0,1,0,0,0,1|2,0,0]=4 510 B11R1.21 c1c(cnc(c1Br)Cl)C(=O)O AB10529 [0,1,0,0,0,1|2,0,0]=4 511 B11R1.21 c1c(cnc(c1Cl)Cl)C(=O)O PB29008 [0,1,0,0,0,1|2,0,0]=4 512 B11R1.21 c1c(cnc(c1Cl)F)C(=O)O AB15015 [0,1,0,0,0,1|2,0,0]=4 513 B11R1.21 c1c(cnc(c1Cl)N)C(=O)O AB63730 [0,1,0,0,0,1|2,0,0]=4 514 B11R1.21 c1c(cnc(c1Cl)O)C(=O)O AB02225 [0,1,0,0,0,1|2,0,0]=4 515 B11R1.21 c1c(cnc(c1F)Br)C(=O)O AB62700 [0,1,0,0,0,1|2,0,0]=4 516 B11R1.21 c1c(cnc(c1F)Cl)C(=O)O AB64027 [0,1,0,0,0,1|2,0,0]=4 517 B11R1.21 c1c(cnc(c1F)F)C(=O)O PB14646 [0,1,0,0,0,1|2,0,0]=4 518 B11R1.21 c1c(cnc(c1N)Cl)C(=O)O AB75265 [0,1,0,0,0,1|2,0,0]=4 519 B11R1.21 c1c(cnc(c1N)N)C(=O)O AB60261 [0,1,0,0,0,1|2,0,0]=4 520 B11R1.21 c1c(cnc(c1O)Cl)C(=O)O AB72035 [0,1,0,0,0,1|2,0,0]=4 521 B11R1.21 c1c(nc(c(n1)N)Br)C(=O)O PB26120 [0,1,0,0,0,1|2,0,0]=4 522 B11R1.21 c1c(nc(c(n1)N)I)C(=O)O PB37460 [0,1,0,0,0,1|2,0,0]=4 523 B11R1.21 c1cc(c(cc1C(=O)O)Br)F AB01920 [0,1,0,0,0,1|2,0,0]=4 524 B11R1.21 c1cc(c(cc1C(=O)O)F)Br AB06858 [0,1,0,0,0,1|2,0,0]=4 525 B11R1.21 c1cc(c(cc1C(=O)O)F)O AB03853 [0,1,0,0,0,1|2,0,0]=4 526 B11R1.21 c1cc(c(cc1C(=O)O)N)F AB25439 [0,1,0,0,0,1|2,0,0]=4 527 B11R1.21 c1cc(c(cc1C(=O)O)O)Cl AB04116 [0,1,0,0,0,1|2,0,0]=4 528 B11R1.21 c1cc(c(cc1C(=O)O)O)F AB05533 [0,1,0,0,0,1|2,0,0]=4 529 B11R1.21 c1cc(c(cc1C(=O)O)O)I AB10648 [0,1,0,0,0,1|2,0,0]=4 530 B11R1.21 c1cc(nc(c1Cl)F)C(=O)O AB49341 [0,1,0,0,0,1|2,0,0]=4 531 B11R1.21 c1cc(nc(c1Cl)N)C(=O)O AB74552 [0,1,0,0,0,1|2,0,0]=4 532 B11R1.21 c1cc(nc(c1F)Cl)C(=O)O AB66795 [0,1,0,0,0,1|2,0,0]=4 533 B11R1.21 c1cc(nc(c1F)F)C(=O)O AB49344 [0,1,0,0,0,1|2,0,0]=4 534 B11R1.21 c1cc(nc(c1N)Cl)C(=O)O AB75268 [0,1,0,0,0,1|2,0,0]=4 535 B11R1.21 c1cc(nc(c1O)Cl)C(=O)O AB64506 [0,1,0,0,0,1|2,0,0]=4 536 B11R1.22 COC(=O)c1ccc(cn1)Br PB29312 [0,1,0,0,0,1|2,0,0]=4 537 B11R1.22 COC(=O)c1ccc(cn1)Cl AB51080 [0,1,0,0,0,1|2,0,0]=4 538 B11R1.22 COC(=O)c1ccc(cn1)N PB26290 [0,1,0,0,0,1|2,0,0]=4 539 B11R1.22 COC(=O)c1ccc(cn1)O PB27686 [0,1,0,0,0,1|2,0,0]=4 540 B11R1.22 COC(=O)c1ccc(nc1)Br PB29326 [0,1,0,0,0,1|2,0,0]=4 541 B11R1.22 COC(=O)c1ccc(nc1)N PB19892 [0,1,0,0,0,1|2,0,0]=4 542 B11R1.22 COC(=O)c1ccc(nc1)O PB34296 [0,1,0,0,0,1|2,0,0]=4 543 B11R1.22 COC(=O)c1cnc(cn1)Br MB08354 [0,1,0,0,0,1|2,0,0]=4 544 B11R1.22 COC(=O)c1cnc(cn1)Cl PB33958 [0,1,0,0,0,1|2,0,0]=4 545 B11R1.22 COC(=O)c1cnc(cn1)N PB12687 [0,1,0,0,0,1|2,0,0]=4 546 B11R1.22 COC(=O)c1cnc(cn1)O PB32586 [0,1,0,0,0,1|2,0,0]=4 547 B11R1.22 COC(=O)c1cnc(nc1)Br MB14326 [0,1,0,0,0,1|2,0,0]=4 548 B11R1.22 COC(=O)c1cnc(nc1)Cl PB17570 [0,1,0,0,0,1|2,0,0]=4 549 B11R1.22 COC(=O)c1cnc(nc1)N PB27896 [0,1,0,0,0,1|2,0,0]=4 550 B11R1.22 Cc1ccc(cc1)C(=O)C=O AB05249 [0,1,0,0,0,1|1,0,1]=4 551 B11R1.22 Cc1ccc(cc1)C(=O)C=O AB05288 [0,1,0,0,0,1|1,0,1]=4 552 B11R1.22 Cc1cnc(nc1)C(=O)OC PB28603 [0,1,0,0,0,1|2,0,0]=4 553 B11R1.22 Cc1ncc(cn1)C(=O)OC PB10888 [0,1,0,0,0,1|1,0,0]=3 554 B11R1.22 c1cc(ccc1C(=O)CO)F MB02453 [0,1,0,0,0,1|2,0,0]=4 555 B11R1.166 Cc1c(ccc(n1)Br)C(=O)O AB66864 [0,1,0,0,0,1|2,0,0]=4 556 B11R1.166 Cc1c(ccc(n1)Cl)C(=O)O AB53710 [0,1,0,0,0,1|2,0,0]=4 557 B11R1.166 Cc1c(ccc(n1)F)C(=O)O AB21743 [0,1,0,0,0,1|2,0,0]=4 558 B11R1.166 Cc1c(ccc(n1)N)C(=O)O AB49780 [0,1,0,0,0,1|2,0,0]=4 559 B11R1.166 Cc1c(ccc(n1)O)C(=O)O AB54497 [0,1,0,0,0,1|2,0,0]=4 560 B11R1.166 Cc1c(cnc(n1)C)C(=O)O AB41920 [0,1,0,0,0,1|1,0,0]=3 561 B11R1.166 Cc1c(cnc(n1)Cl)C(=O)O AB53772 [0,1,0,0,0,1|2,0,0]=4 562 B11R1.166 Cc1c(ncc(n1)Br)C(=O)O AB85708 [0,1,0,0,0,1|2,0,0]=4 563 B11R1.166 Cc1c(ncc(n1)Cl)C(=O)O AB85679 [0,1,0,0,0,1|2,0,0]=4 564 B11R1.166 Cc1cc(c(cn1)C(=O)C)Cl AB64940 [0,1,0,0,0,1|2,0,0]=4 565 B11R1.166 Cc1cc(c(cn1)C(=O)C)F AB83044 [0,1,0,0,0,1|2,0,0]=4 566 B11R1.166 Cc1cc(c(cn1)C(=O)C)N AB50225 [0,1,0,0,0,1|2,0,0]=4 567 B11R1.166 Cc1cc(c(cn1)C(=O)C)O AB75251 [0,1,0,0,0,1|2,0,0]=4 568 B11R1.166 Cc1cc(c(cn1)C(=O)O)Br AB66861 [0,1,0,0,0,1|1,0,0]=3 569 B11R1.166 Cc1cc(c(cn1)C(=O)O)Cl PB14950 [0,1,0,0,0,1|1,0,0]=3 570 B11R1.166 Cc1cc(c(cn1)C(=O)O)F AB66872 [0,1,0,0,0,1|1,0,0]=3 571 B11R1.166 Cc1cc(c(cn1)C(=O)O)N PB15110 [0,1,0,0,0,1|1,0,0]=3 572 B11R1.166 Cc1cc(c(cn1)C(=O)O)O AB17044 [0,1,0,0,0,1|1,0,0]=3 573 B11R1.166 Cc1cc(c(nc1)C(=O)C)C AB50219 [0,1,0,0,0,1|2,0,0]=4 574 B11R1.166 Cc1cc(c(nc1)C(=O)C)Cl AB75090 [0,1,0,0,0,1|2,0,0]=4 575 B11R1.166 Cc1cc(c(nc1)C(=O)C)F AB75164 [0,1,0,0,0,1|2,0,0]=4 576 B11R1.166 Cc1cc(c(nc1)C(=O)C)N AB77150 [0,1,0,0,0,1|2,0,0]=4 577 B11R1.166 Cc1cc(c(nc1)C(=O)C)O AB75244 [0,1,0,0,0,1|2,0,0]=4 578 B11R1.166 Cc1cc(c(nc1)C(=O)O)C AB53520 [0,1,0,0,0,1|1,0,0]=3 579 B11R1.166 Cc1cc(c(nc1)C(=O)O)Cl AB74925 [0,1,0,0,0,1|1,0,0]=3 580 B11R1.166 Cc1cc(c(nc1)C(=O)O)F PB30310 [0,1,0,0,0,1|1,0,0]=3 581 B11R1.166 Cc1cc(c(nc1)C(=O)O)N AB66555 [0,1,0,0,0,1|1,0,0]=3 582 B11R1.166 Cc1cc(cnc1C(=O)O)Br AB41227 [0,1,0,0,0,1|2,0,0]=4 583 B11R1.166 Cc1cc(cnc1C(=O)O)Cl AB41233 [0,1,0,0,0,1|2,0,0]=4 584 B11R1.166 Cc1cc(cnc1C(=O)O)F AB74795 [0,1,0,0,0,1|2,0,0]=4 585 B11R1.166 Cc1cc(cnc1C(=O)O)N AB41220 [0,1,0,0,0,1|2,0,0]=4 586 B11R1.166 Cc1cc(ncc1C(=O)C)C AB50221 [0,1,0,0,0,1|2,0,0]=4 587 B11R1.166 Cc1cc(ncc1C(=O)O)Br AB67818 [0,1,0,0,0,1|2,0,0]=4 588 B11R1.166 Cc1cc(ncc1C(=O)O)C AB05232 [0,1,0,0,0,1|1,0,0]=3 589 B11R1.166 Cc1cc(ncc1C(=O)O)Cl AB65755 [0,1,0,0,0,1|2,0,0]=4 590 B11R1.166 Cc1cc(ncc1C(=O)O)F AB49982 [0,1,0,0,0,1|2,0,0]=4 591 B11R1.166 Cc1cc(ncc1C(=O)O)N AB53293 [0,1,0,0,0,1|2,0,0]=4 592 B11R1.166 Cc1cc(ncc1C(=O)O)O AB65757 [0,1,0,0,0,1|2,0,0]=4 593 B11R1.166 Cc1ccc(c(c1)O)C(=O)N MB02488 [0,1,0,0,0,1|2,0,0]=4 594 B11R1.166 Cc1ccc(c(n1)Br)C(=O)O AB68156 [0,1,0,0,0,1|1,0,0]=3 595 B11R1.166 Cc1ccc(c(n1)C)C(=O)O AB27627 [0,1,0,0,0,1|1,0,0]=3 596 B11R1.166 Cc1ccc(c(n1)Cl)C(=O)C AB64666 [0,1,0,0,0,1|2,0,0]=4 597 B11R1.166 Cc1ccc(c(n1)Cl)C(=O)O PB24611 [0,1,0,0,0,1|1,0,0]=3 598 B11R1.166 Cc1ccc(c(n1)N)C(=O)C AB83843 [0,1,0,0,0,1|2,0,0]=4 599 B11R1.166 Cc1ccc(c(n1)N)C(=O)O PB33689 [0,1,0,0,0,1|1,0,0]=3 600 B11R1.166 Cc1ccc(c(n1)O)C(=O)C AB84278 [0,1,0,0,0,1|2,0,0]=4 601 B11R1.166 Cc1cnc(c(n1)C)C(=O)O AB71826 [0,1,0,0,0,1|1,0,0]=3 602 B11R1.166 Cc1cnc(c(n1)O)C(=O)O AB48562 [0,1,0,0,0,1|1,0,0]=3 603 B11R1.166 Cc1nc(c(nn1)C(=O)O)O AB48555 [0,1,0,0,0,1|2,0,0]=4 604 B11R1.166 Cc1ncc(c(n1)Cl)C(=O)C AB76965 [0,1,0,0,0,1|2,0,0]=4 605 B11R1.166 Cc1ncc(c(n1)Cl)C(=O)O AB56016 [0,1,0,0,0,1|1,0,0]=3 606 B11R1.166 Cc1ncc(c(n1)N)C(=O)O AB04459 [0,1,0,0,0,1|1,0,0]=3 607 B11R1.166 Cc1ncc(c(n1)O)C(=O)O AB48543 [0,1,0,0,0,1|1,0,0]=3 608 B11R1.166 c1c(c(cnc1Br)C(=O)O)Cl AB67976 [0,1,0,0,0,1|2,0,0]=4 609 B11R1.166 c1c(c(cnc1Br)C(=O)O)F AB68043 [0,1,0,0,0,1|2,0,0]=4 610 B11R1.166 c1c(c(cnc1Br)C(=O)O)N AB67268 [0,1,0,0,0,1|2,0,0]=4 611 B11R1.166 c1c(c(cnc1Br)C(=O)O)O AB72394 [0,1,0,0,0,1|2,0,0]=4 612 B11R1.166 c1c(c(cnc1Cl)C(=O)O)Cl AB05151 [0,1,0,0,0,1|2,0,0]=4 613 B11R1.166 c1c(c(cnc1Cl)C(=O)O)F AB68037 [0,1,0,0,0,1|2,0,0]=4 614 B11R1.166 c1c(c(cnc1Cl)C(=O)O)N PB12156 [0,1,0,0,0,1|2,0,0]=4 615 B11R1.166 c1c(c(cnc1Cl)C(=O)O)O AB69324 [0,1,0,0,0,1|2,0,0]=4 616 B11R1.166 c1c(c(cnc1F)C(=O)O)Cl AB74908 [0,1,0,0,0,1|2,0,0]=4 617 B11R1.166 c1c(c(cnc1F)C(=O)O)F AB49331 [0,1,0,0,0,1|2,0,0]=4 618 B11R1.166 c1c(c(cnc1F)C(=O)O)N PB19556 [0,1,0,0,0,1|2,0,0]=4 619 B11R1.166 c1c(c(cnc1N)C(=O)O)Cl AB67979 [0,1,0,0,0,1|2,0,0]=4 620 B11R1.166 c1c(c(cnc1N)C(=O)O)N AB71881 [0,1,0,0,0,1|2,0,0]=4 621 B11R1.166 c1c(c(cnc1O)C(=O)O)Cl AB67983 [0,1,0,0,0,1|2,0,0]=4 622 B11R1.166 c1c(c(nc(n1)Cl)Cl)C(=O)O AB55826 [0,1,0,0,0,1|2,0,0]=4 623 B11R1.166 c1c(cnc(c1Br)C(=O)O)Br AB25162 [0,1,0,0,0,1|2,0,0]=4 624 B11R1.166 c1c(cnc(c1Cl)C(=O)O)Cl AB13812 [0,1,0,0,0,1|2,0,0]=4 625 B11R1.166 c1c(cnc(c1Cl)C(=O)O)F AB66800 [0,1,0,0,0,1|2,0,0]=4 626 B11R1.166 c1c(cnc(c1Cl)C(=O)O)N AB73535 [0,1,0,0,0,1|2,0,0]=4 627 B11R1.166 c1c(cnc(c1F)C(=O)O)Br PB15891 [0,1,0,0,0,1|2,0,0]=4 628 B11R1.166 c1c(cnc(c1F)C(=O)O)Cl AB66361 [0,1,0,0,0,1|2,0,0]=4 629 B11R1.166 c1c(cnc(c1F)C(=O)O)N AB73541 [0,1,0,0,0,1|2,0,0]=4 630 B11R1.166 c1c(cnc(c1N)C(=O)O)Br PB25268 [0,1,0,0,0,1|2,0,0]=4 631 B11R1.166 c1c(cnc(c1N)C(=O)O)Cl PB13238 [0,1,0,0,0,1|2,0,0]=4 632 B11R1.166 c1c(cnc(c1N)C(=O)O)Cl PB25748 [0,1,0,0,0,1|2,0,0]=4 633 B11R1.166 c1c(cnc(c1N)C(=O)O)N AB83569 [0,1,0,0,0,1|2,0,0]=4 634 B11R1.166 c1c(nc(c(n1)C(=O)O)Cl)Cl PB29742 [0,1,0,0,0,1|2,0,0]=4 635 B11R1.166 c1c(nc(c(n1)C(=O)O)N)Cl AB73168 [0,1,0,0,0,1|2,0,0]=4 636 B11R1.166 c1cc(c(cc1Br)Br)C(=O)O AB05197 [0,1,0,0,0,1|2,0,0]=4 637 B11R1.166 c1cc(c(cc1Br)F)C(=O)O AB03858 [0,1,0,0,0,1|2,0,0]=4 638 B11R1.166 c1cc(c(cc1Br)N)C(=O)O MB02895 [0,1,0,0,0,1|2,0,0]=4 639 B11R1.166 c1cc(c(cc1F)Br)C(=O)O AB02279 [0,1,0,0,0,1|2,0,0]=4 640 B11R1.166 c1cc(c(cc1F)F)C(=O)O AB01069 [0,1,0,0,0,1|2,0,0]=4 641 B11R1.166 c1cc(c(cc1O)Br)C(=O)O MB28859 [0,1,0,0,0,1|2,0,0]=4 642 B11R1.166 c1cc(c(cc1O)I)C(=O)O MB31618 [0,1,0,0,0,1|2,0,0]=4 643 B11R1.166 c1cc(c(cc1O)N)C(=O)O MB00542 [0,1,0,0,0,1|2,0,0]=4 644 B11R1.166 c1cc(nc(c1C(=O)O)Br)Br PB17862 [0,1,0,0,0,1|2,0,0]=4 645 B11R1.166 c1cc(nc(c1C(=O)O)Br)Cl AB66786 [0,1,0,0,0,1|2,0,0]=4 646 B11R1.166 c1cc(nc(c1C(=O)O)Cl)Br AB64863 [0,1,0,0,0,1|2,0,0]=4 647 B11R1.166 c1cc(nc(c1C(=O)O)Cl)Cl PB10074 [0,1,0,0,0,1|2,0,0]=4 648 B11R1.166 c1cc(nc(c1C(=O)O)Cl)N AB53397 [0,1,0,0,0,1|2,0,0]=4 649 B11R1.166 c1cc(nc(c1C(=O)O)F)F AB43522 [0,1,0,0,0,1|2,0,0]=4 650 B11R1.166 c1cc(nc(c1C(=O)O)F)N AB76881 [0,1,0,0,0,1|2,0,0]=4 651 B11R1.166 c1cc(nc(c1C(=O)O)N)Br AB69713 [0,1,0,0,0,1|2,0,0]=4 652 B11R1.166 c1cc(nc(c1C(=O)O)N)Cl PB26608 [0,1,0,0,0,1|2,0,0]=4 653 B11R1.166 c1cc(nc(c1C(=O)O)N)N AB67450 [0,1,0,0,0,1|2,0,0]=4 654 B11R1.645 Cc1c(sc(n1)C)CC(=O)O AB09737 [0,1,0,0,0,1|2,0,0]=4 655 B11R1.23 COC(=O)c1cc(ccn1)Br PB30917 [0,1,0,0,0,1|2,0,0]=4 656 B11R1.23 COC(=O)c1cc(ccn1)Cl AB20667 [0,1,0,0,0,1|2,0,0]=4 657 B11R1.23 COC(=O)c1cc(ccn1)Cl PB18698 [0,1,0,0,0,1|2,0,0]=4 658 B11R1.23 COC(=O)c1cc(ccn1)F AB40664 [0,1,0,0,0,1|2,0,0]=4 659 B11R1.23 COC(=O)c1cc(ccn1)O AB65280 [0,1,0,0,0,1|2,0,0]=4 660 B11R1.23 COC(=O)c1cc(cnc1)Br PB10112 [0,1,0,0,0,1|2,0,0]=4 661 B11R1.23 COC(=O)c1cc(cnc1)F PB12769 [0,1,0,0,0,1|2,0,0]=4 662 B11R1.23 COC(=O)c1cc(cnc1)N PB12793 [0,1,0,0,0,1|2,0,0]=4 663 B11R1.23 COC(=O)c1cc(cnc1)O AB04590 [0,1,0,0,0,1|2,0,0]=4 664 B11R1.23 COC(=O)c1cc(ncn1)Br MB14353 [0,1,0,0,0,1|2,0,0]=4 665 B11R1.23 COC(=O)c1cc(nnc1)Cl PB31801 [0,1,0,0,0,1|2,0,0]=4 666 B11R1.23 COC(=O)c1cc[nH]c(=O)c1 PB32713 [0,1,0,0,0,1|2,0,0]=4 667 B11R1.23 COC(=O)c1cccc(c1)Cl AB00128 [0,1,0,0,0,1|2,0,0]=4 668 B11R1.23 COC(=O)c1ccnc(c1)Br AB16210 [0,1,0,0,0,1|2,0,0]=4 669 B11R1.23 COC(=O)c1ccnc(c1)Cl PB12260 [0,1,0,0,0,1|2,0,0]=4 670 B11R1.23 COC(=O)c1ccnc(c1)I AB43759 [0,1,0,0,0,1|2,0,0]=4 671 B11R1.23 COC(=O)c1ccnc(c1)N PB29300 [0,1,0,0,0,1|2,0,0]=4 672 B11R1.23 Cc1cc(ccn1)C(=O)OC AB55692 [0,1,0,0,0,1|1,0,0]=3 673 B11R1.23 Cc1cc(cnc1)C(=O)OC PB14201 [0,1,0,0,0,1|1,0,0]=3 674 B11R1.23 Cc1cc(ncn1)C(=O)OC PB28486 [0,1,0,0,0,1|1,0,0]=3 675 B11R1.74 Cc1cc(cc(c1)Br)C(=O)C AB76200 [0,1,0,0,0,1|2,0,0]=4 676 B11R1.74 Cc1cc(cc(c1)Br)C(=O)O AB12648 [0,1,0,0,0,1|1,0,0]=3 677 B11R1.74 Cc1cc(cc(c1)C(=O)C)C AB08165 [0,1,0,0,0,1|2,0,0]=4 678 B11R1.74 Cc1cc(cc(c1)C(=O)O)C AB00235 [0,1,0,0,0,1|1,0,0]=3 679 B11R1.74 Cc1cc(cc(c1)Cl)C(=O)C AB64283 [0,1,0,0,0,1|2,0,0]=4 680 B11R1.74 Cc1cc(cc(c1)Cl)C(=O)O AB62676 [0,1,0,0,0,1|1,0,0]=3 681 B11R1.74 Cc1cc(cc(c1)F)C(=O)C AB20635 [0,1,0,0,0,1|2,0,0]=4 682 B11R1.74 Cc1cc(cc(c1)F)C(=O)O AB13316 [0,1,0,0,0,1|1,0,0]=3 683 B11R1.74 Cc1cc(cc(c1)I)C(=O)C AB71471 [0,1,0,0,0,1|2,0,0]=4 684 B11R1.74 Cc1cc(cc(c1)I)C(=O)O AB62677 [0,1,0,0,0,1|1,0,0]=3 685 B11R1.74 Cc1cc(cc(c1)N)C(=O)O AB04836 [0,1,0,0,0,1|1,0,0]=3 686 B11R1.74 Cc1cc(cc(c1)O)C(=O)C AB16910 [0,1,0,0,0,1|2,0,0]=4 687 B11R1.74 Cc1cc(cc(c1)O)C(=O)N MB23370 [0,1,0,0,0,1|2,0,0]=4 688 B11R1.74 Cc1cc(cc(c1)O)C(=O)O AB52735 [0,1,0,0,0,1|1,0,0]=3 689 B11R1.74 Cc1cc(cc(n1)Br)C(=O)C AB79932 [0,1,0,0,0,1|2,0,0]=4 690 B11R1.74 Cc1cc(cc(n1)Br)C(=O)O AB66859 [0,1,0,0,0,1|1,0,0]=3 691 B11R1.74 Cc1cc(cc(n1)C(=O)O)Br AB40781 [0,1,0,0,0,1|2,0,0]=4 692 B11R1.74 Cc1cc(cc(n1)C(=O)O)Cl AB40799 [0,1,0,0,0,1|2,0,0]=4 693 B11R1.74 Cc1cc(cc(n1)C(=O)O)F AB66868 [0,1,0,0,0,1|2,0,0]=4 694 B11R1.74 Cc1cc(cc(n1)C(=O)O)I AB79386 [0,1,0,0,0,1|2,0,0]=4 695 B11R1.74 Cc1cc(cc(n1)C(=O)O)N AB66550 [0,1,0,0,0,1|2,0,0]=4 696 B11R1.74 Cc1cc(cc(n1)C(=O)O)O AB74941 [0,1,0,0,0,1|2,0,0]=4 697 B11R1.74 Cc1cc(cc(n1)C)C(=O)C AB31118 [0,1,0,0,0,1|2,0,0]=4 698 B11R1.74 Cc1cc(cc(n1)C)C(=O)O AB15854 [0,1,0,0,0,1|1,0,0]=3 699 B11R1.74 Cc1cc(cc(n1)Cl)C(=O)C AB66888 [0,1,0,0,0,1|2,0,0]=4 700 B11R1.74 Cc1cc(cc(n1)Cl)C(=O)O PB14103 [0,1,0,0,0,1|1,0,0]=3 701 B11R1.74 Cc1cc(cc(n1)F)C(=O)C AB79910 [0,1,0,0,0,1|2,0,0]=4 702 B11R1.74 Cc1cc(cc(n1)F)C(=O)O AB66869 [0,1,0,0,0,1|1,0,0]=3 703 B11R1.74 Cc1cc(cc(n1)I)C(=O)C AB79945 [0,1,0,0,0,1|2,0,0]=4 704 B11R1.74 Cc1cc(cc(n1)I)C(=O)O AB79514 [0,1,0,0,0,1|1,0,0]=3 705 B11R1.74 Cc1cc(cc(n1)N)C(=O)O PB20783 [0,1,0,0,0,1|1,0,0]=3 706 B11R1.74 Cc1cc(cc(n1)O)C(=O)C AB79988 [0,1,0,0,0,1|2,0,0]=4 707 B11R1.74 Cc1cc(cc(n1)O)C(=O)O AB12186 [0,1,0,0,0,1|1,0,0]=3 708 B11R1.74 Cc1cc(nc(c1)Br)C(=O)C AB79653 [0,1,0,0,0,1|2,0,0]=4 709 B11R1.74 Cc1cc(nc(c1)Br)C(=O)O AB67817 [0,1,0,0,0,1|1,0,0]=3 710 B11R1.74 Cc1cc(nc(c1)C(=O)C)C AB31120 [0,1,0,0,0,1|2,0,0]=4 711 B11R1.74 Cc1cc(nc(c1)C(=O)O)C AB17859 [0,1,0,0,0,1|1,0,0]=3 712 B11R1.74 Cc1cc(nc(c1)Cl)C(=O)C AB75104 [0,1,0,0,0,1|2,0,0]=4 713 B11R1.74 Cc1cc(nc(c1)Cl)C(=O)O AB52811 [0,1,0,0,0,1|1,0,0]=3 714 B11R1.74 Cc1cc(nc(c1)F)C(=O)C AB79620 [0,1,0,0,0,1|2,0,0]=4 715 B11R1.74 Cc1cc(nc(c1)F)C(=O)O AB67821 [0,1,0,0,0,1|1,0,0]=3 716 B11R1.74 Cc1cc(nc(c1)I)C(=O)C AB79670 [0,1,0,0,0,1|2,0,0]=4 717 B11R1.74 Cc1cc(nc(c1)I)C(=O)O AB79260 [0,1,0,0,0,1|1,0,0]=3 718 B11R1.74 Cc1cc(nc(c1)N)C(=O)O AB67823 [0,1,0,0,0,1|1,0,0]=3 719 B11R1.74 Cc1cc(nc(c1)O)C(=O)C AB79873 [0,1,0,0,0,1|2,0,0]=4 720 B11R1.74 Cc1cc(nc(c1)O)C(=O)O AB13099 [0,1,0,0,0,1|1,0,0]=3 721 B11R1.74 Cc1cc(nc(n1)Cl)C(=O)O AB07382 [0,1,0,0,0,1|1,0,0]=3 722 B11R1.74 c1c(cc(cc1Br)Br)C(=O)O AB02139 [0,1,0,0,0,1|2,0,0]=4 723 B11R1.74 c1c(cc(cc1Br)I)C(=O)O AB04625 [0,1,0,0,0,1|2,0,0]=4 724 B11R1.74 c1c(cc(cc1Cl)Br)C(=O)O AB29578 [0,1,0,0,0,1|2,0,0]=4 725 B11R1.74 c1c(cc(cc1Cl)Cl)C(=O)O AB00229 [0,1,0,0,0,1|2,0,0]=4 726 B11R1.74 c1c(cc(cc1Cl)I)C(=O)O AB06860 [0,1,0,0,0,1|2,0,0]=4 727 B11R1.74 c1c(cc(cc1F)Br)C(=O)O AB09246 [0,1,0,0,0,1|2,0,0]=4 728 B11R1.74 c1c(cc(cc1F)Cl)C(=O)O AB07872 [0,1,0,0,0,1|2,0,0]=4 729 B11R1.74 c1c(cc(cc1F)F)C(=O)O AB01033 [0,1,0,0,0,1|2,0,0]=4 730 B11R1.74 c1c(cc(cc1F)I)C(=O)O AB20696 [0,1,0,0,0,1|2,0,0]=4 731 B11R1.74 c1c(cc(cc1I)I)C(=O)O AB06171 [0,1,0,0,0,1|2,0,0]=4 732 B11R1.74 c1c(cc(cc1N)Br)C(=O)O AB04992 [0,1,0,0,0,1|2,0,0]=4 733 B11R1.74 c1c(cc(cc1N)Cl)C(=O)O AB11542 [0,1,0,0,0,1|2,0,0]=4 734 B11R1.74 c1c(cc(cc1N)F)C(=O)O AB42533 [0,1,0,0,0,1|2,0,0]=4 735 B11R1.74 c1c(cc(cc1N)I)C(=O)O AB02789 [0,1,0,0,0,1|2,0,0]=4 736 B11R1.74 c1c(cc(cc1N)N)C(=O)O AB00898 [0,1,0,0,0,1|2,0,0]=4 737 B11R1.74 c1c(cc(cc1N)O)C(=O)O AB29674 [0,1,0,0,0,1|2,0,0]=4 738 B11R1.74 c1c(cc(cc1O)Br)C(=O)O AB29744 [0,1,0,0,0,1|2,0,0]=4 739 B11R1.74 c1c(cc(cc1O)Cl)C(=O)O AB18080 [0,1,0,0,0,1|2,0,0]=4 740 B11R1.74 c1c(cc(cc1O)F)C(=O)O AB64637 [0,1,0,0,0,1|2,0,0]=4 741 B11R1.74 c1c(cc(cc1O)I)C(=O)O AB02791 [0,1,0,0,0,1|2,0,0]=4 742 B11R1.74 c1c(cc(cc1O)O)C(=O)O AB00234 [0,1,0,0,0,1|2,0,0]=4 743 B11R1.74 c1c(cc(nc1Br)Br)C(=O)O PB18991 [0,1,0,0,0,1|2,0,0]=4 744 B11R1.74 c1c(cc(nc1Br)I)C(=O)O AB79501 [0,1,0,0,0,1|2,0,0]=4 745 B11R1.74 c1c(cc(nc1C(=O)O)Br)Br AB68240 [0,1,0,0,0,1|2,0,0]=4 746 B11R1.74 c1c(cc(nc1C(=O)O)Br)Cl AB67261 [0,1,0,0,0,1|2,0,0]=4 747 B11R1.74 c1c(cc(nc1C(=O)O)Br)F AB68040 [0,1,0,0,0,1|2,0,0]=4 748 B11R1.74 c1c(cc(nc1C(=O)O)Br)I AB79249 [0,1,0,0,0,1|2,0,0]=4 749 B11R1.74 c1c(cc(nc1C(=O)O)Br)N AB67264 [0,1,0,0,0,1|2,0,0]=4 750 B11R1.74 c1c(cc(nc1C(=O)O)Br)O AB79257 [0,1,0,0,0,1|2,0,0]=4 751 B11R1.74 c1c(cc(nc1C(=O)O)Cl)Br AB67958 [0,1,0,0,0,1|2,0,0]=4 752 B11R1.74 c1c(cc(nc1C(=O)O)Cl)Cl AB55079 [0,1,0,0,0,1|2,0,0]=4 753 B11R1.74 c1c(cc(nc1C(=O)O)Cl)F AB68036 [0,1,0,0,0,1|2,0,0]=4 754 B11R1.74 c1c(cc(nc1C(=O)O)Cl)I AB79242 [0,1,0,0,0,1|2,0,0]=4 755 B11R1.74 c1c(cc(nc1C(=O)O)Cl)N AB67311 [0,1,0,0,0,1|2,0,0]=4 756 B11R1.74 c1c(cc(nc1C(=O)O)Cl)O AB68127 [0,1,0,0,0,1|2,0,0]=4 757 B11R1.74 c1c(cc(nc1C(=O)O)F)Br AB72835 [0,1,0,0,0,1|2,0,0]=4 758 B11R1.74 c1c(cc(nc1C(=O)O)F)Cl AB74912 [0,1,0,0,0,1|2,0,0]=4 759 B11R1.74 c1c(cc(nc1C(=O)O)F)F AB49324 [0,1,0,0,0,1|2,0,0]=4 760 B11R1.74 c1c(cc(nc1C(=O)O)F)I AB79224 [0,1,0,0,0,1|2,0,0]=4 761 B11R1.74 c1c(cc(nc1C(=O)O)F)N AB79232 [0,1,0,0,0,1|2,0,0]=4 762 B11R1.74 c1c(cc(nc1C(=O)O)F)O AB79240 [0,1,0,0,0,1|2,0,0]=4 763 B11R1.74 c1c(cc(nc1C(=O)O)I)Br AB79372 [0,1,0,0,0,1|2,0,0]=4 764 B11R1.74 c1c(cc(nc1C(=O)O)I)Cl AB79366 [0,1,0,0,0,1|2,0,0]=4 765 B11R1.74 c1c(cc(nc1C(=O)O)I)F AB79347 [0,1,0,0,0,1|2,0,0]=4 766 B11R1.74 c1c(cc(nc1C(=O)O)I)N AB79262 [0,1,0,0,0,1|2,0,0]=4 767 B11R1.74 c1c(cc(nc1C(=O)O)I)O AB79273 [0,1,0,0,0,1|2,0,0]=4 768 B11R1.74 c1c(cc(nc1C(=O)O)N)Br AB71729 [0,1,0,0,0,1|2,0,0]=4 769 B11R1.74 c1c(cc(nc1C(=O)O)N)Cl AB67977 [0,1,0,0,0,1|2,0,0]=4 770 B11R1.74 c1c(cc(nc1C(=O)O)N)F AB79355 [0,1,0,0,0,1|2,0,0]=4 771 B11R1.74 c1c(cc(nc1C(=O)O)N)I AB79390 [0,1,0,0,0,1|2,0,0]=4 772 B11R1.74 c1c(cc(nc1C(=O)O)N)N AB79332 [0,1,0,0,0,1|2,0,0]=4 773 B11R1.74 c1c(cc(nc1C(=O)O)N)O AB79330 [0,1,0,0,0,1|2,0,0]=4 774 B11R1.74 c1c(cc(nc1C(=O)O)O)Br AB79382 [0,1,0,0,0,1|2,0,0]=4 775 B11R1.74 c1c(cc(nc1C(=O)O)O)F AB79365 [0,1,0,0,0,1|2,0,0]=4 776 B11R1.74 c1c(cc(nc1C(=O)O)O)I AB79403 [0,1,0,0,0,1|2,0,0]=4 777 B11R1.74 c1c(cc(nc1C(=O)O)O)N AB79465 [0,1,0,0,0,1|2,0,0]=4 778 B11R1.74 c1c(cc(nc1C(=O)O)O)O AB76498 [0,1,0,0,0,1|2,0,0]=4 779 B11R1.74 c1c(cc(nc1Cl)Br)C(=O)O AB66787 [0,1,0,0,0,1|2,0,0]=4 780 B11R1.74 c1c(cc(nc1Cl)Cl)C(=O)O AB05154 [0,1,0,0,0,1|2,0,0]=4 781 B11R1.74 c1c(cc(nc1Cl)I)C(=O)O AB79494 [0,1,0,0,0,1|2,0,0]=4 782 B11R1.74 c1c(cc(nc1F)Br)C(=O)O AB66790 [0,1,0,0,0,1|2,0,0]=4 783 B11R1.74 c1c(cc(nc1F)Cl)C(=O)O AB66798 [0,1,0,0,0,1|2,0,0]=4 784 B11R1.74 c1c(cc(nc1N)Br)C(=O)O AB67265 [0,1,0,0,0,1|2,0,0]=4 785 B11R1.74 c1c(cc(nc1N)F)C(=O)O AB79483 [0,1,0,0,0,1|2,0,0]=4 786 B11R1.74 c1c(cc(nc1N)I)C(=O)O AB79517 [0,1,0,0,0,1|2,0,0]=4 787 B11R1.74 c1c(cc(nc1N)N)C(=O)O AB66375 [0,1,0,0,0,1|2,0,0]=4 788 B11R1.74 c1c(cc(nc1N)O)C(=O)O AB76516 [0,1,0,0,0,1|2,0,0]=4 789 B11R1.74 c1c(cc(nc1O)Br)C(=O)O AB79511 [0,1,0,0,0,1|2,0,0]=4 790 B11R1.74 c1c(cc(nc1O)Cl)C(=O)O AB41973 [0,1,0,0,0,1|2,0,0]=4 791 B11R1.74 c1c(cc(nc1O)F)C(=O)O AB71296 [0,1,0,0,0,1|2,0,0]=4 792 B11R1.74 c1c(cc(nc1O)I)C(=O)O AB79531 [0,1,0,0,0,1|2,0,0]=4 793 B11R1.74 c1c(cc(nc1O)O)C(=O)O AB00673 [0,1,0,0,0,1|2,0,0]=4 794 B11R1.74 c1c(nc(nc1Cl)Cl)C(=O)O AB12755 [0,1,0,0,0,1|2,0,0]=4 795 B11R1.159 Cc1c(c(ccn1)C(=O)C)Br AB41128 [0,1,0,0,0,1|2,0,0]=4 796 B11R1.159 Cc1c(c(ccn1)C(=O)C)Cl AB83308 [0,1,0,0,0,1|2,0,0]=4 797 B11R1.159 Cc1c(c(ccn1)C(=O)C)N AB41124 [0,1,0,0,0,1|2,0,0]=4 798 B11R1.159 Cc1c(c(ccn1)C(=O)C)O AB75262 [0,1,0,0,0,1|2,0,0]=4 799 B11R1.159 Cc1c(c(ccn1)C(=O)O)Cl AB71251 [0,1,0,0,0,1|1,0,0]=3 800 B11R1.159 Cc1c(c(ccn1)C(=O)O)N AB70614 [0,1,0,0,0,1|1,0,0]=3 801 B11R1.159 Cc1c(ccnc1C(=O)O)Cl AB52815 [0,1,0,0,0,1|2,0,0]=4 802 B11R1.159 Cc1c(ccnc1C(=O)O)F AB74897 [0,1,0,0,0,1|2,0,0]=4 803 B11R1.159 Cc1c(ccnc1Cl)C(=O)O AB71250 [0,1,0,0,0,1|2,0,0]=4 804 B11R1.159 Cc1c(ccnc1F)C(=O)O AB71345 [0,1,0,0,0,1|2,0,0]=4 805 B11R1.159 Cc1c(cncc1Cl)C(=O)O AB41997 [0,1,0,0,0,1|2,0,0]=4 806 B11R1.159 Cc1c(nccc1C(=O)C)C AB55628 [0,1,0,0,0,1|2,0,0]=4 807 B11R1.159 Cc1c(nccc1C(=O)O)C AB63167 [0,1,0,0,0,1|1,0,0]=3 808 B11R1.159 Cc1cccc(c1N)C(=O)O AB00891 [0,1,0,0,0,1|1,0,0]=3 809 B11R1.159 Cc1cccc(c1O)C(=O)N MB01077 [0,1,0,0,0,1|2,0,0]=4 810 B11R1.159 Cc1ccnc(c1C)C(=O)C AB50233 [0,1,0,0,0,1|2,0,0]=4 811 B11R1.159 Cc1ccnc(c1C)C(=O)O AB75404 [0,1,0,0,0,1|1,0,0]=3 812 B11R1.159 Cc1ccnc(c1Cl)C(=O)C AB83298 [0,1,0,0,0,1|2,0,0]=4 813 B11R1.159 Cc1ccnc(c1Cl)C(=O)O AB74922 [0,1,0,0,0,1|1,0,0]=3 814 B11R1.159 Cc1ccnc(c1N)C(=O)C AB83869 [0,1,0,0,0,1|2,0,0]=4 815 B11R1.159 Cc1ccnc(c1N)C(=O)O AB66557 [0,1,0,0,0,1|1,0,0]=3 816 B11R1.159 Cc1ccnc(c1O)C(=O)C AB84344 [0,1,0,0,0,1|2,0,0]=4 817 B11R1.159 Cc1cncc(c1C)C(=O)C AB75501 [0,1,0,0,0,1|2,0,0]=4 818 B11R1.159 Cc1cncc(c1C)C(=O)O AB66692 [0,1,0,0,0,1|1,0,0]=3 819 B11R1.159 Cc1cncc(c1Cl)C(=O)C AB83264 [0,1,0,0,0,1|2,0,0]=4 820 B11R1.159 Cc1cncc(c1Cl)C(=O)O AB74918 [0,1,0,0,0,1|1,0,0]=3 821 B11R1.159 Cc1cncc(c1F)C(=O)C AB75177 [0,1,0,0,0,1|2,0,0]=4 822 B11R1.159 Cc1cncc(c1F)C(=O)O AB74900 [0,1,0,0,0,1|1,0,0]=3 823 B11R1.159 Cc1cncc(c1N)C(=O)C AB83808 [0,1,0,0,0,1|2,0,0]=4 824 B11R1.159 Cc1cncc(c1N)C(=O)O AB75852 [0,1,0,0,0,1|1,0,0]=3 825 B11R1.159 Cc1cncc(c1O)C(=O)C AB84183 [0,1,0,0,0,1|2,0,0]=4 826 B11R1.159 Cn1cccc(c1=O)C(=O)O PB12189 [0,1,0,0,0,1|2,0,0]=4 827 B11R1.159 c1c(c(c(cn1)Br)N)C(=O)O AB53577 [0,1,0,0,0,1|2,0,0]=4 828 B11R1.159 c1c(c(c(cn1)Cl)F)C(=O)O AB74903 [0,1,0,0,0,1|2,0,0]=4 829 B11R1.159 c1c(c(c(cn1)Cl)N)C(=O)O AB53579 [0,1,0,0,0,1|2,0,0]=4 830 B11R1.159 c1c(c(c(cn1)Cl)O)C(=O)O AB74884 [0,1,0,0,0,1|2,0,0]=4 831 B11R1.159 c1c(c(c(cn1)F)Cl)C(=O)O AB74905 [0,1,0,0,0,1|2,0,0]=4 832 B11R1.159 c1c(c(c(cn1)N)Cl)C(=O)O AB83881 [0,1,0,0,0,1|2,0,0]=4 833 B11R1.159 c1c(c(c(cn1)N)N)C(=O)O AB83440 [0,1,0,0,0,1|2,0,0]=4 834 B11R1.159 c1c(c(c(cn1)O)Cl)C(=O)O AB74891 [0,1,0,0,0,1|2,0,0]=4 835 B11R1.159 c1cc(c(c(c1)Br)F)C(=O)O PB18506 [0,1,0,0,0,1|2,0,0]=4 836 B11R1.159 c1cc(c(c(c1)Br)N)C(=O)O AB15588 [0,1,0,0,0,1|2,0,0]=4 837 B11R1.159 c1cc(c(c(c1)Cl)F)C(=O)O AB01929 [0,1,0,0,0,1|2,0,0]=4 838 B11R1.159 c1cc(c(c(c1)Cl)I)C(=O)O AB30453 [0,1,0,0,0,1|2,0,0]=4 839 B11R1.159 c1cc(c(c(c1)Cl)N)C(=O)O AB03731 [0,1,0,0,0,1|2,0,0]=4 840 B11R1.159 c1cc(c(c(c1)F)N)C(=O)O AB09241 [0,1,0,0,0,1|2,0,0]=4 841 B11R1.159 c1cc(c(c(c1)F)O)C(=O)O AB04085 [0,1,0,0,0,1|2,0,0]=4 842 B11R1.159 c1cc(c(c(c1)I)O)C(=O)O MB25549 [0,1,0,0,0,1|2,0,0]=4 843 B11R1.159 c1cc(c(c(c1)N)O)C(=O)O AB01026 [0,1,0,0,0,1|2,0,0]=4 844 B11R1.159 c1cc(c(c(c1)O)Br)C(=O)O MB08513 [0,1,0,0,0,1|2,0,0]=4 845 B11R1.159 c1cc(c(c(c1)O)Cl)C(=O)O AB50521 [0,1,0,0,0,1|2,0,0]=4 846 B11R1.159 c1cc(c(c(c1)O)F)C(=O)O AB10200 [0,1,0,0,0,1|2,0,0]=4 847 B11R1.159 c1cc(c(c(c1)O)I)C(=O)O MB26583 [0,1,0,0,0,1|2,0,0]=4 848 B11R1.159 c1cnc(c(c1Br)N)C(=O)O AB83572 [0,1,0,0,0,1|2,0,0]=4 849 B11R1.159 c1cnc(c(c1C(=O)O)Cl)Cl CB10568 [0,1,0,0,0,1|2,0,0]=4 850 B11R1.159 c1cnc(c(c1C(=O)O)Cl)F AB49339 [0,1,0,0,0,1|2,0,0]=4 851 B11R1.159 c1cnc(c(c1C(=O)O)Cl)N AB83934 [0,1,0,0,0,1|2,0,0]=4 852 B11R1.159 c1cnc(c(c1C(=O)O)Cl)O AB66802 [0,1,0,0,0,1|2,0,0]=4 853 B11R1.159 c1cnc(c(c1C(=O)O)F)Cl AB17057 [0,1,0,0,0,1|2,0,0]=4 854 B11R1.159 c1cnc(c(c1C(=O)O)F)F PB18941 [0,1,0,0,0,1|2,0,0]=4 855 B11R1.159 c1cnc(c(c1C(=O)O)I)Br AB31097 [0,1,0,0,0,1|2,0,0]=4 856 B11R1.159 c1cnc(c(c1C(=O)O)N)Br AB71716 [0,1,0,0,0,1|2,0,0]=4 857 B11R1.159 c1cnc(c(c1C(=O)O)N)Cl AB70618 [0,1,0,0,0,1|2,0,0]=4 858 B11R1.159 c1cnc(c(c1C(=O)O)N)N AB63396 [0,1,0,0,0,1|2,0,0]=4 859 B11R1.159 c1cnc(c(c1C(=O)O)O)Br AB69694 [0,1,0,0,0,1|2,0,0]=4 860 B11R1.159 c1cnc(c(c1C(=O)O)O)Cl AB14198 [0,1,0,0,0,1|2,0,0]=4 861 B11R1.159 c1cnc(c(c1Cl)Cl)C(=O)O AB10183 [0,1,0,0,0,1|2,0,0]=4 862 B11R1.159 c1cnc(c(c1Cl)F)C(=O)O AB70765 [0,1,0,0,0,1|2,0,0]=4 863 B11R1.159 c1cnc(c(c1Cl)N)C(=O)O AB83574 [0,1,0,0,0,1|2,0,0]=4 864 B11R1.159 c1cnc(c(c1Cl)O)C(=O)O AB76139 [0,1,0,0,0,1|2,0,0]=4 865 B11R1.159 c1cnc(c(c1F)Cl)C(=O)O AB74915 [0,1,0,0,0,1|2,0,0]=4 866 B11R1.159 c1cnc(c(c1O)Cl)C(=O)O AB74889 [0,1,0,0,0,1|2,0,0]=4 867 B11R1.167 Cc1c(cc(cn1)Br)C(=O)O AB64295 [0,1,0,0,0,1|2,0,0]=4 868 B11R1.167 Cc1cc(c(cn1)Br)C(=O)O AB68165 [0,1,0,0,0,1|1,0,0]=3 869 B11R1.167 Cc1cc(c(cn1)C)C(=O)C AB82531 [0,1,0,0,0,1|2,0,0]=4 870 B11R1.167 Cc1cc(c(cn1)C)C(=O)O AB65165 [0,1,0,0,0,1|1,0,0]=3 871 B11R1.167 Cc1cc(c(cn1)Cl)C(=O)O AB68149 [0,1,0,0,0,1|1,0,0]=3 872 B11R1.167 Cc1cc(c(cn1)N)C(=O)C AB83789 [0,1,0,0,0,1|2,0,0]=4 873 B11R1.167 Cc1cc(c(cn1)N)C(=O)O PB22731 [0,1,0,0,0,1|1,0,0]=3 874 B11R1.167 Cc1cc(c(cn1)O)C(=O)C AB75257 [0,1,0,0,0,1|2,0,0]=4 875 B11R1.167 Cc1cc(c(nc1)Br)C(=O)C AB85212 [0,1,0,0,0,1|2,0,0]=4 876 B11R1.167 Cc1cc(c(nc1)Br)C(=O)O AB71098 [0,1,0,0,0,1|1,0,0]=3 877 B11R1.167 Cc1cc(c(nc1)C)C(=O)C AB82541 [0,1,0,0,0,1|2,0,0]=4 878 B11R1.167 Cc1cc(c(nc1)C)C(=O)O AB74606 [0,1,0,0,0,1|1,0,0]=3 879 B11R1.167 Cc1cc(c(nc1)Cl)C(=O)C AB70468 [0,1,0,0,0,1|2,0,0]=4 880 B11R1.167 Cc1cc(c(nc1)Cl)C(=O)O AB41816 [0,1,0,0,0,1|1,0,0]=3 881 B11R1.167 Cc1cc(c(nc1)F)C(=O)C AB64670 [0,1,0,0,0,1|2,0,0]=4 882 B11R1.167 Cc1cc(c(nc1)F)C(=O)O AB64831 [0,1,0,0,0,1|1,0,0]=3 883 B11R1.167 Cc1cc(c(nc1)N)C(=O)C AB75421 [0,1,0,0,0,1|2,0,0]=4 884 B11R1.167 Cc1cc(c(nc1)N)C(=O)O AB41822 [0,1,0,0,0,1|1,0,0]=3 885 B11R1.167 Cc1cc(c(nc1)O)C(=O)C AB84260 [0,1,0,0,0,1|2,0,0]=4 886 B11R1.167 Cc1cc(c(nc1)O)C(=O)O CB11521 [0,1,0,0,0,1|1,0,0]=3 887 B11R1.167 Cc1ccc(c(c1)C(=O)N)O MB00262 [0,1,0,0,0,1|2,0,0]=4 888 B11R1.167 Cc1ccc(c(n1)C(=O)O)Br AB41940 [0,1,0,0,0,1|2,0,0]=4 889 B11R1.167 Cc1ccc(c(n1)C(=O)O)Cl AB68147 [0,1,0,0,0,1|2,0,0]=4 890 B11R1.167 Cc1ccc(c(n1)C(=O)O)N AB66552 [0,1,0,0,0,1|2,0,0]=4 891 B11R1.167 Cc1ccc(cc1C(=O)O)O CB11294 [0,1,0,0,0,1|2,0,0]=4 892 B11R1.167 Cc1ccc(nc1C(=O)O)C AB65474 [0,1,0,0,0,1|2,0,0]=4 893 B11R1.167 Cc1cnc(cc1C(=O)O)Cl AB67501 [0,1,0,0,0,1|2,0,0]=4 894 B11R1.167 Cc1cnc(cc1C(=O)O)F AB71348 [0,1,0,0,0,1|2,0,0]=4 895 B11R1.167 Cc1cnc(cc1C(=O)O)N AB63101 [0,1,0,0,0,1|2,0,0]=4 896 B11R1.167 Cc1ncc(c(n1)C(=O)O)Br PB33896 [0,1,0,0,0,1|2,0,0]=4 897 B11R1.167 c1c(c(cnc1Br)Br)C(=O)O AB48781 [0,1,0,0,0,1|2,0,0]=4 898 B11R1.167 c1c(c(cnc1Br)Cl)C(=O)O AB66669 [0,1,0,0,0,1|2,0,0]=4 899 B11R1.167 c1c(c(cnc1Br)F)C(=O)O AB50074 [0,1,0,0,0,1|2,0,0]=4 900 B11R1.167 c1c(c(cnc1Br)N)C(=O)O PB11266 [0,1,0,0,0,1|2,0,0]=4 901 B11R1.167 c1c(c(cnc1Br)O)C(=O)O AB69281 [0,1,0,0,0,1|2,0,0]=4 902 B11R1.167 c1c(c(cnc1Cl)Cl)C(=O)O AB06268 [0,1,0,0,0,1|2,0,0]=4 903 B11R1.167 c1c(c(cnc1Cl)F)C(=O)O AB20948 [0,1,0,0,0,1|2,0,0]=4 904 B11R1.167 c1c(c(cnc1Cl)N)C(=O)O PB23467 [0,1,0,0,0,1|2,0,0]=4 905 B11R1.167 c1c(c(cnc1Cl)O)C(=O)O AB67788 [0,1,0,0,0,1|2,0,0]=4 906 B11R1.167 c1c(c(cnc1F)N)C(=O)O PB14345 [0,1,0,0,0,1|2,0,0]=4 907 B11R1.167 c1c(c(cnc1N)Br)C(=O)O AB53925 [0,1,0,0,0,1|2,0,0]=4 908 B11R1.167 c1c(c(cnc1N)Cl)C(=O)O AB72346 [0,1,0,0,0,1|2,0,0]=4 909 B11R1.167 c1c(c(cnc1N)F)C(=O)O AB72349 [0,1,0,0,0,1|2,0,0]=4 910 B11R1.167 c1c(c(cnc1N)N)C(=O)O AB83416 [0,1,0,0,0,1|2,0,0]=4 911 B11R1.167 c1c(c(nnc1Cl)Cl)C(=O)O PB10028 [0,1,0,0,0,1|2,0,0]=4 912 B11R1.167 c1c(c(nnc1Cl)O)C(=O)O AB66294 [0,1,0,0,0,1|2,0,0]=4 913 B11R1.167 c1c(cnc(c1C(=O)O)Br)Br PB10346 [0,1,0,0,0,1|2,0,0]=4 914 B11R1.167 c1c(cnc(c1C(=O)O)Br)F AB64987 [0,1,0,0,0,1|2,0,0]=4 915 B11R1.167 c1c(cnc(c1C(=O)O)Cl)Br PB24830 [0,1,0,0,0,1|2,0,0]=4 916 B11R1.167 c1c(cnc(c1C(=O)O)Cl)Cl AB10181 [0,1,0,0,0,1|2,0,0]=4 917 B11R1.167 c1c(cnc(c1C(=O)O)Cl)F PB34056 [0,1,0,0,0,1|2,0,0]=4 918 B11R1.167 c1c(cnc(c1C(=O)O)Cl)N PB10371 [0,1,0,0,0,1|2,0,0]=4 919 B11R1.167 c1c(cnc(c1C(=O)O)F)Br PB12417 [0,1,0,0,0,1|2,0,0]=4 920 B11R1.167 c1c(cnc(c1C(=O)O)F)Cl AB17585 [0,1,0,0,0,1|2,0,0]=4 921 B11R1.167 c1c(cnc(c1C(=O)O)N)Br PB12952 [0,1,0,0,0,1|2,0,0]=4 922 B11R1.167 c1c(cnc(c1C(=O)O)N)Cl AB53538 [0,1,0,0,0,1|2,0,0]=4 923 B11R1.167 c1c(cnc(c1C(=O)O)N)F AB70295 [0,1,0,0,0,1|2,0,0]=4 924 B11R1.167 c1c(cnc(c1C(=O)O)N)N AB76147 [0,1,0,0,0,1|2,0,0]=4 925 B11R1.167 c1c(cnc(c1C(=O)O)O)Br PB32486 [0,1,0,0,0,1|2,0,0]=4 926 B11R1.167 c1c(cnc(c1C(=O)O)O)Cl AB04751 [0,1,0,0,0,1|2,0,0]=4 927 B11R1.167 c1c(cnc(c1C(=O)O)O)F AB20976 [0,1,0,0,0,1|2,0,0]=4 928 B11R1.167 c1cc(c(cc1Br)C(=O)O)F AB03871 [0,1,0,0,0,1|2,0,0]=4 929 B11R1.167 c1cc(c(cc1Cl)C(=O)O)F AB06694 [0,1,0,0,0,1|2,0,0]=4 930 B11R1.167 c1cc(c(cc1F)C(=O)O)Br AB03824 [0,1,0,0,0,1|2,0,0]=4 931 B11R1.167 c1cc(c(cc1F)C(=O)O)Cl AB04161 [0,1,0,0,0,1|2,0,0]=4 932 B11R1.167 c1cc(c(cc1I)C(=O)O)Br CB10208 [0,1,0,0,0,1|2,0,0]=4 933 B11R1.167 c1cc(c(cc1N)C(=O)O)Cl CB10057 [0,1,0,0,0,1|2,0,0]=4 934 B11R1.167 c1cc(c(cc1O)C(=O)O)Br MB04161 [0,1,0,0,0,1|2,0,0]=4 935 B11R1.167 c1cc(c(cc1O)C(=O)O)Cl CB10774 [0,1,0,0,0,1|2,0,0]=4 936 B11R1.167 c1cc(c(cc1O)C(=O)O)I MB01071 [0,1,0,0,0,1|2,0,0]=4 937 B11R1.266 CC(=O)c1cc(ccn1)OC AB60202 [0,1,0,0,0,1|2,0,0]=4 938 B11R1.266 CC(=O)c1cc(cnc1)OC AB41130 [0,1,0,0,0,1|2,0,0]=4 939 B11R1.266 CC(=O)c1cc(ncn1)OC AB76963 [0,1,0,0,0,1|2,0,0]=4 940 B11R1.266 CC(=O)c1ccnc(c1)OC AB60316 [0,1,0,0,0,1|2,0,0]=4 941 B11R1.266 COc1cc(ccn1)C(=O)O PB21858 [0,1,0,0,0,1|1,0,0]=3 942 B11R1.266 COc1cc(cnc1)C(=O)O PB12749 [0,1,0,0,0,1|1,0,0]=3 943 B11R1.266 COc1cccc(n1)C(=O)O AB29993 [0,1,0,0,0,1|2,0,0]=4 944 B11R1.266 COc1ccnc(c1)C(=O)N AB07772 [0,1,0,0,0,1|2,0,0]=4 945 B11R1.266 COc1ccnc(c1)C(=O)O AB20458 [0,1,0,0,0,1|1,0,0]=3 946 B11R1.266 COc1ccnc(c1)C(=O)O AB21831 [0,1,0,0,0,1|1,0,0]=3 947 B11R1.266 COc1cncc(n1)C(=O)O AB05020 [0,1,0,0,0,1|2,0,0]=4 948 B11R1.266 c1c(cncc1C(=O)O)C#N AB31370 [0,1,0,0,0,1|1,0,1]=4 949 B11R1.266 c1cc(nc(c1)C(=O)O)CN AB25598 [0,1,0,0,0,1|2,0,0]=4 950 B11R1.266 c1cnc(cc1C#N)C(=O)O AB49710 [0,1,0,0,0,1|1,0,1]=4 951 B11R1.266 c1cnc(cc1C(=O)Cl)CCl AB60021 [0,1,0,0,0,1|2,0,0]=4 952 B11R1.266 c1cnc(cc1C(=O)O)C#N AB14211 [0,1,0,0,0,1|1,0,1]=4 953 B11R1.266 c1cnc(cc1C(=O)O)CCl AB60022 [0,1,0,0,0,1|1,0,0]=3 954 B11R1.266 c1cnc(cc1C(=O)O)NN PB20224 [0,1,0,0,0,1|2,0,0]=4 955 B11R1.15 CCOC(=O)c1cc(no1)C CB11550 [0,2,0,0,0,0|2,0,0]=4 956 B11R1.15 CCOC(=O)c1cc(on1)C CB10213 [0,2,0,0,0,0|1,1,0]=4 957 B11R1.15 CCOC(=O)c1cnc(o1)C MB09197 [0,2,0,0,0,0|2,0,0]=4 958 B11R1.15 CCOC(=O)c1cnc(s1)C PB30777 [0,2,0,0,0,0|2,0,0]=4 959 B11R1.15 CCOC(=O)c1cnn(c1)C PB19235 [0,2,0,0,0,0|2,0,0]=4 960 B11R1.15 CCOC(=O)c1coc(n1)C AB31502 [0,2,0,0,0,0|1,1,0]=4 961 B11R1.15 CCOC(=O)c1csc(n1)Br AB16046 [0,2,0,0,0,0|2,0,0]=4 962 B11R1.15 CCOC(=O)c1csc(n1)N AB06547 [0,2,0,0,0,0|2,0,0]=4 963 B11R1.44 CCc1cc(cs1)C(=O)NN MB02794 [0,2,0,0,0,0|1,0,0]=3 964 B11R1.44 COC(=O)c1cc(sc1)CN AB72617 [0,2,0,0,0,0|0,0,0]=2 965 B11R1.44 COC(=O)c1ccc(s1)CN AB30257 [0,2,0,0,0,0|2,0,0]=4 966 B11R1.225 COC(=O)c1c(sc(n1)N)Br AB03802 [0,2,0,0,0,0|2,0,0]=4 967 B11R1.225 COC(=O)c1cc(sc1Cl)Br MB19771 [0,2,0,0,0,0|1,0,0]=3 968 B11R1.225 Cc1cc(c(s1)C(=O)OC)N PB15649 [0,2,0,0,0,0|2,0,0]=4 969 B11R1.225 Cc1cc(c(s1)C(=O)OC)O MB02072 [0,2,0,0,0,0|2,0,0]=4 970 B11R1.48 CCc1cc(nn1C)C(=O)O AB19578 [0,2,0,0,0,0|2,0,0]=4 971 B11R1.48 Cn1cc(nc1OC)C(=O)O AB66833 [0,2,0,0,0,0|2,0,0]=4 972 B11R1.124 CCCc1cc(no1)C(=O)O AB22438 [0,2,0,0,0,0|1,1,0]=4 973 B11R1.175 B(c1cc(sc1)C(=O)C)(O)O AB48434 [0,2,0,0,0,0|1,0,1]=4 974 B11R1.175 B(c1cc(sc1)C(C)C)(O)O AB72599 [0,2,0,0,0,0|1,0,1]=4 975 B11R1.175 CC(C)c1cc(no1)C(=O)O AB28186 [0,2,0,0,0,0|1,1,0]=4 976 B11R1.175 CC(C)c1nc(co1)C(=O)O AB64712 [0,2,0,0,0,0|1,1,0]=4 977 B11R1.175 CC(C)n1cc(cn1)C(=O)O AB15811 [0,2,0,0,0,0|2,0,0]=4 978 B11R1.473 CCn1c(c(cn1)C(=O)O)N AB31623 [0,2,0,0,0,0|2,0,0]=4 979 B11R1.673 Cc1c(c(n(n1)C)Cl)C(=O)O AB05014 [0,2,0,0,0,0|2,0,0]=4 980 B9R1.6 c1c(cncn1)C(=O)O PB23195 [0,0,1,1,0,0|2,0,0]=4 981 B9R1.2 Cc1cc(ccn1)C=O AB24827 [1,0,0,0,0,1|1,0,0]=3 982 B9R1.2 Cc1cc(cnc1)C=O PB18860 [1,0,0,0,0,1|1,0,0]=3 983 B9R1.2 Cc1cc(cnc1)CO PB10532 [1,0,0,0,0,1|1,0,1]=4 984 B9R1.2 Cc1cc(ncn1)CO PB11190 [1,0,0,0,0,1|1,0,1]=4 985 B9R1.2 Cc1cccc(n1)C=O AB00683 [1,0,0,0,0,1|2,0,0]=4 986 B9R1.2 Cc1ccnc(n1)C=O PB28177 [1,0,0,0,0,1|2,0,0]=4 987 B9R1.2 Cc1cncc(n1)C=O AB62637 [1,0,0,0,0,1|2,0,0]=4 988 B9R1.2 Cc1nccc(n1)C=O AB52721 [1,0,0,0,0,1|2,0,0]=4 989 B9R1.2 c1c(cncc1Br)C=O PB10234 [1,0,0,0,0,1|2,0,0]=4 990 B9R1.2 c1c(cncc1Cl)C=O PB29540 [1,0,0,0,0,1|2,0,0]=4 991 B9R1.2 c1c(cncc1F)C=O PB12469 [1,0,0,0,0,1|2,0,0]=4 992 B9R1.2 c1c(cncc1I)C=O AB45533 [1,0,0,0,0,1|2,0,0]=4 993 B9R1.2 c1c(cncc1N)C=O AB67741 [1,0,0,0,0,1|2,0,0]=4 994 B9R1.2 c1c(cncc1O)C=O AB67779 [1,0,0,0,0,1|2,0,0]=4 995 B9R1.2 c1c(ncnc1Cl)C=O AB58865 [1,0,0,0,0,1|2,0,0]=4 996 B9R1.2 c1c(ncnc1O)C=O AB58874 [1,0,0,0,0,1|2,0,0]=4 997 B9R1.2 c1cnc(cc1Br)C=O PB10584 [1,0,0,0,0,1|2,0,0]=4 998 B9R1.2 c1cnc(cc1C=O)Br AB17326 [1,0,0,0,0,1|2,0,0]=4 999 B9R1.2 c1cnc(cc1C=O)Cl PB21899 [1,0,0,0,0,1|2,0,0]=4 1000 B9R1.2 c1cnc(cc1C=O)F AB24818 [1,0,0,0,0,1|2,0,0]=4 1001 B9R1.2 c1cnc(cc1Cl)C=O PB32513 [1,0,0,0,0,1|2,0,0]=4 1002 B9R1.2 c1cnc(cc1F)C=O AB68024 [1,0,0,0,0,1|2,0,0]=4 1003 B9R1.2 c1cnc(cc1N)C=O AB68102 [1,0,0,0,0,1|2,0,0]=4 1004 B9R1.2 c1cnc(cc1O)C=O AB68125 [1,0,0,0,0,1|2,0,0]=4 1005 B9R1.13 CC(=O)Nc1ccsc1 AB04169 [1,0,0,0,0,1|1,0,0]=3 1006 B9R1.13 c1cc(sc1)CC(=O)O PB27359 [1,0,0,0,0,1|2,0,0]=4 1007 B9R1.13 c1cn(cn1)CC(=O)O AB09874 [1,0,0,0,0,1|2,0,0]=4 1008 B9R1.13 c1cscc1CC(=O)O PB28939 [1,0,0,0,0,1|0,0,0]=2 1009 B11R1.20 Cc1ccc(cn1)CC(=O)O AB04515 [0,0,0,0,0,2|1,0,0]=3 1010 B11R1.20 Cc1ccc(nc1)CC(=O)O AB55198 [0,0,0,0,0,2|1,0,0]=3 1011 B11R1.20 Cc1cnc(cn1)CC(=O)O AB69910 [0,0,0,0,0,2|1,0,0]=3 1012 B11R1.20 c1c(ncc(n1)Cl)CC(=O)O AB69911 [0,0,0,0,0,2|2,0,0]=4 1013 B11R1.20 c1cc(ccc1CC(=O)O)Br AB00367 [0,0,0,0,0,2|2,0,0]=4 1014 B11R1.20 c1cc(ncc1Br)CC(=O)O PB31471 [0,0,0,0,0,2|2,0,0]=4 1015 B11R1.20 c1cc(ncc1CC(=O)O)Br AB71018 [0,0,0,0,0,2|2,0,0]=4 1016 B11R1.20 c1cc(ncc1CC(=O)O)Cl AB10318 [0,0,0,0,0,2|2,0,0]=4 1017 B11R1.20 c1cc(ncc1CC(=O)O)F AB55206 [0,0,0,0,0,2|2,0,0]=4 1018 B11R1.20 c1cc(ncc1F)CC(=O)O AB55200 [0,0,0,0,0,2|2,0,0]=4 1019 B11R1.20 c1cc(ncc1I)CC(=O)O PB21451 [0,0,0,0,0,2|2,0,0]=4 1020 B11R1.157 Cc1cc(ccn1)NC(=O)C AB53272 [0,0,0,0,0,2|2,0,0]=4 1021 B11R1.157 Cc1cccc(c1)NC(=O)C AB01179 [0,0,0,0,0,2|2,0,0]=4 1022 B11R1.157 Cc1ccnc(c1)NC(=O)C AB05238 [0,0,0,0,0,2|2,0,0]=4 1023 B11R1.157 Cc1ccnc(n1)CC(=O)O AB59182 [0,0,0,0,0,2|2,0,0]=4 1024 B11R1.157 c1c(cncc1Br)CC(=O)O AB07359 [0,0,0,0,0,2|2,0,0]=4 1025 B11R1.157 c1c(cncc1F)CC(=O)O PB22356 [0,0,0,0,0,2|2,0,0]=4 1026 B11R1.157 c1cc(cc(c1)Br)CC(=O)O AB00359 [0,0,0,0,0,2|2,0,0]=4 1027 B11R1.157 c1cc(cc(c1)Cl)CC(=O)O AB00363 [0,0,0,0,0,2|2,0,0]=4 1028 B11R1.157 c1cc(cc(c1)F)CC(=O)O AB00361 [0,0,0,0,0,2|2,0,0]=4 1029 B11R1.157 c1cnc(cc1CC(=O)O)Br AB31444 [0,0,0,0,0,2|2,0,0]=4 1030 B11R1.157 c1cnc(cc1CC(=O)O)Cl AB31448 [0,0,0,0,0,2|2,0,0]=4 1031 B11R1.157 c1cnc(cc1CC(=O)O)N AB31440 [0,0,0,0,0,2|2,0,0]=4