0 B10R1.61 B(c1c(cccn1)C)(O)O TS70676 [0,0,0,0,0,0|3,0,1]=4 1 B10R1.61 B(c1ccccc1Br)(O)O TS00858 [0,0,0,0,0,0|2,0,1]=3 2 B10R1.61 B(c1ccccc1C)(O)O TS02443 [0,0,0,0,0,0|2,0,1]=3 3 B10R1.61 B(c1ccccc1Cl)(O)O TS00951 [0,0,0,0,0,0|2,0,1]=3 4 B10R1.61 B(c1ccccc1F)(O)O TS37322 [0,0,0,0,0,0|2,0,1]=3 5 B10R1.61 B(c1ccccc1I)(O)O TS27680 [0,0,0,0,0,0|2,0,1]=3 6 B10R1.61 B(c1ccccc1N)(O)O TS45687 [0,0,0,0,0,0|2,0,1]=3 7 B10R1.61 B(c1ccccc1N)(O)O TS94617 [0,0,0,0,0,0|2,0,1]=3 8 B10R1.61 B(c1ccccc1O)(O)O TS55396 [0,0,0,0,0,0|1,0,1]=2 9 B10R1.61 B(c1ccccc1S)(O)O TS94336 [0,0,0,0,0,0|1,1,1]=3 10 B10R1.61 B(c1cccnc1Cl)(O)O TS55212 [0,0,0,0,0,0|3,0,1]=4 11 B10R1.61 B(c1cccnc1F)(O)O TS94662 [0,0,0,0,0,0|3,0,1]=4 12 B10R1.61 B(c1ccncc1Br)(O)O TS09498 [0,0,0,0,0,0|3,0,1]=4 13 B10R1.61 B(c1ccncc1C)(O)O TS91427 [0,0,0,0,0,0|3,0,1]=4 14 B10R1.61 B(c1ccncc1Cl)(O)O TS41826 [0,0,0,0,0,0|3,0,1]=4 15 B10R1.61 B(c1ccncc1F)(O)O TS02770 [0,0,0,0,0,0|3,0,1]=4 16 B10R1.61 B(c1cnccc1C)(O)O TS46549 [0,0,0,0,0,0|3,0,1]=4 17 B10R1.61 B(c1cnccc1Cl)(O)O TS41827 [0,0,0,0,0,0|3,0,1]=4 18 B10R1.61 CC(=C)c1ccccc1N TS36780 [0,0,0,0,0,0|3,0,0]=3 19 B10R1.61 CC(=O)c1c(cccn1)Cl TS90062 [0,0,0,0,0,0|3,0,0]=3 20 B10R1.61 CC(=O)c1c(cccn1)F TS08247 [0,0,0,0,0,0|3,0,0]=3 21 B10R1.61 CC(=O)c1c(cccn1)N TS06066 [0,0,0,0,0,0|3,0,0]=3 22 B10R1.61 CC(=O)c1c(cccn1)O TS37090 [0,0,0,0,0,0|2,0,0]=2 23 B10R1.61 CC(=O)c1c(nccn1)Cl TS90872 [0,0,0,0,0,0|4,0,0]=4 24 B10R1.61 CC(=O)c1c(nccn1)N TS87446 [0,0,0,0,0,0|4,0,0]=4 25 B10R1.61 CC(=O)c1ccccc1Br TS54149 [0,0,0,0,0,0|2,0,0]=2 26 B10R1.61 CC(=O)c1ccccc1Cl TS39571 [0,0,0,0,0,0|2,0,0]=2 27 B10R1.61 CC(=O)c1ccccc1F TS37171 [0,0,0,0,0,0|2,0,0]=2 28 B10R1.61 CC(=O)c1ccccc1I TS62238 [0,0,0,0,0,0|2,0,0]=2 29 B10R1.61 CC(=O)c1ccccc1O TS01063 [0,0,0,0,0,0|1,0,0]=1 30 B10R1.61 CC(=O)c1cccnc1Br TS18940 [0,0,0,0,0,0|3,0,0]=3 31 B10R1.61 CC(=O)c1cccnc1Cl TS10617 [0,0,0,0,0,0|3,0,0]=3 32 B10R1.61 CC(=O)c1cccnc1F TS02616 [0,0,0,0,0,0|3,0,0]=3 33 B10R1.61 CC(=O)c1cccnc1N TS08276 [0,0,0,0,0,0|3,0,0]=3 34 B10R1.61 CC(=O)c1ccncc1Br TS18937 [0,0,0,0,0,0|3,0,0]=3 35 B10R1.61 CC(=O)c1ccncc1Br TS76034 [0,0,0,0,0,0|3,0,0]=3 36 B10R1.61 CC(=O)c1ccncc1F TS08156 [0,0,0,0,0,0|3,0,0]=3 37 B10R1.61 CC(=O)c1ccncc1N TS06058 [0,0,0,0,0,0|3,0,0]=3 38 B10R1.61 CC(=O)c1cnccc1F TS37273 [0,0,0,0,0,0|3,0,0]=3 39 B10R1.61 CC(C)c1ccccc1Br TS46918 [0,0,0,0,0,0|3,0,1]=4 40 B10R1.61 CC(C)c1ccccc1F TS06286 [0,0,0,0,0,0|3,0,1]=4 41 B10R1.61 CC(C)c1ccccc1I TS27403 [0,0,0,0,0,0|3,0,1]=4 42 B10R1.61 CC(C)c1ccccc1N TS06016 [0,0,0,0,0,0|3,0,1]=4 43 B10R1.61 CC(C)c1ccccc1O TS06094 [0,0,0,0,0,0|2,0,1]=3 44 B10R1.61 CC(C)c1ccccc1S TS41199 [0,0,0,0,0,0|2,1,1]=4 45 B10R1.61 CC(C)c1ccccc1[Zn+] TS60954 [0,0,0,0,0,0|3,0,1]=4 46 B10R1.61 CC(c1c(cccn1)F)O TS06577 [0,0,0,0,0,0|3,0,1]=4 47 B10R1.61 CC(c1ccccc1Br)O TS38045 [0,0,0,0,0,0|2,0,1]=3 48 B10R1.61 CC(c1ccccc1Cl)N TS10635 [0,0,0,0,0,0|3,0,1]=4 49 B10R1.61 CC(c1ccccc1Cl)O TS41730 [0,0,0,0,0,0|2,0,1]=3 50 B10R1.61 CC(c1ccccc1F)N TS37297 [0,0,0,0,0,0|3,0,1]=4 51 B10R1.61 CC(c1ccccc1F)O TS08150 [0,0,0,0,0,0|2,0,1]=3 52 B10R1.61 CC(c1cccnc1N)O TS37203 [0,0,0,0,0,0|3,0,1]=4 53 B10R1.61 CC1=CCC=CC1C(=O)O TS06256 [0,0,0,0,0,0|1,0,2]=3 54 B10R1.61 CN(C)c1ccccc1Br TS37850 [0,0,0,0,0,0|4,0,0]=4 55 B10R1.61 CN(C)c1ccccc1Cl TS10629 [0,0,0,0,0,0|4,0,0]=4 56 B10R1.61 CN(C)c1ccccc1F TS37299 [0,0,0,0,0,0|4,0,0]=4 57 B10R1.61 CS(=O)c1ccccc1O TS41630 [0,0,0,0,0,0|2,0,0]=2 58 B10R1.61 C[C@@H](c1ccccc1Br)O TS38041 [0,0,0,0,0,0|2,0,1]=3 59 B10R1.61 C[C@@H](c1ccccc1Cl)O TS41717 [0,0,0,0,0,0|2,0,1]=3 60 B10R1.61 C[C@@H](c1ccccc1F)N TS08101 [0,0,0,0,0,0|3,0,1]=4 61 B10R1.61 C[C@@H](c1ccccc1F)O TS06459 [0,0,0,0,0,0|2,0,1]=3 62 B10R1.61 C[C@H](c1ccccc1Cl)N TS51402 [0,0,0,0,0,0|3,0,1]=4 63 B10R1.61 C[C@H](c1ccccc1Cl)O TS10795 [0,0,0,0,0,0|2,0,1]=3 64 B10R1.61 C[C@H](c1ccccc1F)N TS08914 [0,0,0,0,0,0|3,0,1]=4 65 B10R1.61 C[C@H](c1ccccc1F)O TS37366 [0,0,0,0,0,0|2,0,1]=3 66 B10R1.61 Cc1c(cccn1)C(=O)O TS59977 [0,0,0,0,0,0|2,0,0]=2 67 B10R1.61 Cc1c(cccn1)C(=O)O TS89838 [0,0,0,0,0,0|2,0,0]=2 68 B10R1.61 Cc1c(cccn1)[N+](=O)[O-] TS01118 [0,0,0,0,0,0|3,0,1]=4 69 B10R1.61 Cc1c(cccn1)[N+](=O)[O-] TS86948 [0,0,0,0,0,0|3,0,1]=4 70 B10R1.61 Cc1c(ccnn1)C(=O)O TS88637 [0,0,0,0,0,0|3,0,0]=3 71 B10R1.61 Cc1c(nccn1)C(=O)C TS06062 [0,0,0,0,0,0|4,0,0]=4 72 B10R1.61 Cc1c(nccn1)C(=O)O TS70673 [0,0,0,0,0,0|3,0,0]=3 73 B10R1.61 Cc1ccccc1C(=C)C TS05768 [0,0,0,0,0,0|3,0,0]=3 74 B10R1.61 Cc1ccccc1C(=N)N TS12937 [0,0,0,0,0,0|3,0,0]=3 75 B10R1.61 Cc1ccccc1C(=O)C TS36852 [0,0,0,0,0,0|2,0,0]=2 76 B10R1.61 Cc1ccccc1C(=O)Cl TS60155 [0,0,0,0,0,0|2,0,0]=2 77 B10R1.61 Cc1ccccc1C(=O)N TS36917 [0,0,0,0,0,0|2,0,0]=2 78 B10R1.61 Cc1ccccc1C(=O)O TS01622 [0,0,0,0,0,0|1,0,0]=1 79 B10R1.61 Cc1ccccc1C(=S)N TS41052 [0,0,0,0,0,0|2,1,0]=3 80 B10R1.61 Cc1ccccc1C(C)N TS36951 [0,0,0,0,0,0|3,0,1]=4 81 B10R1.61 Cc1ccccc1C(C)O TS37021 [0,0,0,0,0,0|2,0,1]=3 82 B10R1.61 Cc1ccccc1N(C)C TS06004 [0,0,0,0,0,0|4,0,0]=4 83 B10R1.61 Cc1ccccc1[C@@H](C)N TS45398 [0,0,0,0,0,0|3,0,1]=4 84 B10R1.61 Cc1ccccc1[C@H](C)N TS45395 [0,0,0,0,0,0|3,0,1]=4 85 B10R1.61 Cc1ccccc1[N+](=O)[O-] TS37088 [0,0,0,0,0,0|2,0,1]=3 86 B10R1.61 Cc1cccnc1C(=O)O TS37085 [0,0,0,0,0,0|2,0,0]=2 87 B10R1.61 Cc1cccnc1C(=O)O TS60354 [0,0,0,0,0,0|2,0,0]=2 88 B10R1.61 Cc1cccnc1[N+](=O)[O-] TS70660 [0,0,0,0,0,0|3,0,1]=4 89 B10R1.61 Cc1ccncc1C(=O)O TS39766 [0,0,0,0,0,0|2,0,0]=2 90 B10R1.61 Cc1ccncc1C(=O)O TS71235 [0,0,0,0,0,0|2,0,0]=2 91 B10R1.61 Cc1ccncc1[N+](=O)[O-] TS71233 [0,0,0,0,0,0|3,0,1]=4 92 B10R1.61 Cc1ccnnc1C(=O)O TS87416 [0,0,0,0,0,0|3,0,0]=3 93 B10R1.61 Cc1cnccc1C(=O)N TS02849 [0,0,0,0,0,0|3,0,0]=3 94 B10R1.61 Cc1cnccc1C(=O)O TS06159 [0,0,0,0,0,0|2,0,0]=2 95 B10R1.61 Cc1cnccc1C(=O)O TS86033 [0,0,0,0,0,0|2,0,0]=2 96 B10R1.61 Cc1cnccc1[N+](=O)[O-] TS86937 [0,0,0,0,0,0|3,0,1]=4 97 B10R1.61 Cc1cnncc1C(=O)O TS87483 [0,0,0,0,0,0|3,0,0]=3 98 B10R1.61 c1c(c(cnn1)N)C(=O)O TS71384 [0,0,0,0,0,0|3,0,0]=3 99 B10R1.61 c1c(c(ncn1)C(=O)O)Br TS71448 [0,0,0,0,0,0|3,0,0]=3 100 B10R1.61 c1c(c(ncn1)C(=O)O)N TS71388 [0,0,0,0,0,0|3,0,0]=3 101 B10R1.61 c1c(c(ncn1)N)C(=O)O TS70923 [0,0,0,0,0,0|3,0,0]=3 102 B10R1.61 c1c(c(ncn1)O)C(=O)N TS37260 [0,0,0,0,0,0|3,0,0]=3 103 B10R1.61 c1c(c(ncn1)O)[N+](=O)[O-] TS71154 [0,0,0,0,0,0|3,0,1]=4 104 B10R1.61 c1cc(c(nc1)Br)C(=O)N TS19143 [0,0,0,0,0,0|3,0,0]=3 105 B10R1.61 c1cc(c(nc1)Br)C(=O)O TS00853 [0,0,0,0,0,0|2,0,0]=2 106 B10R1.61 c1cc(c(nc1)Br)[N+](=O)[O-] TS08312 [0,0,0,0,0,0|3,0,1]=4 107 B10R1.61 c1cc(c(nc1)C(=O)N)N TS59602 [0,0,0,0,0,0|3,0,0]=3 108 B10R1.61 c1cc(c(nc1)C(=O)N)O TS06240 [0,0,0,0,0,0|2,0,0]=2 109 B10R1.61 c1cc(c(nc1)C(=O)O)Br TS85444 [0,0,0,0,0,0|2,0,0]=2 110 B10R1.61 c1cc(c(nc1)C(=O)O)Cl TS66011 [0,0,0,0,0,0|2,0,0]=2 111 B10R1.61 c1cc(c(nc1)C(=O)O)F TS70603 [0,0,0,0,0,0|2,0,0]=2 112 B10R1.61 c1cc(c(nc1)C(=O)O)I TS27852 [0,0,0,0,0,0|2,0,0]=2 113 B10R1.61 c1cc(c(nc1)C(=O)O)N TS02640 [0,0,0,0,0,0|2,0,0]=2 114 B10R1.61 c1cc(c(nc1)C(=O)O)O TS02795 [0,0,0,0,0,0|1,0,0]=1 115 B10R1.61 c1cc(c(nc1)C(=O)O)S TS51373 [0,0,0,0,0,0|1,1,0]=2 116 B10R1.61 c1cc(c(nc1)Cl)C(=N)N TS10626 [0,0,0,0,0,0|4,0,0]=4 117 B10R1.61 c1cc(c(nc1)Cl)C(=O)Cl TS23000 [0,0,0,0,0,0|3,0,0]=3 118 B10R1.61 c1cc(c(nc1)Cl)C(=O)N TS00077 [0,0,0,0,0,0|3,0,0]=3 119 B10R1.61 c1cc(c(nc1)Cl)C(=O)O TS51738 [0,0,0,0,0,0|2,0,0]=2 120 B10R1.61 c1cc(c(nc1)Cl)C(=O)O TS55284 [0,0,0,0,0,0|2,0,0]=2 121 B10R1.61 c1cc(c(nc1)Cl)[N+](=O)[O-] TS55209 [0,0,0,0,0,0|3,0,1]=4 122 B10R1.61 c1cc(c(nc1)F)C(=O)O TS01039 [0,0,0,0,0,0|2,0,0]=2 123 B10R1.61 c1cc(c(nc1)F)[N+](=O)[O-] TS08407 [0,0,0,0,0,0|3,0,1]=4 124 B10R1.61 c1cc(c(nc1)N)C(=O)N TS06174 [0,0,0,0,0,0|3,0,0]=3 125 B10R1.61 c1cc(c(nc1)N)C(=O)O TS85373 [0,0,0,0,0,0|2,0,0]=2 126 B10R1.61 c1cc(c(nc1)N)C(=O)O TS90622 [0,0,0,0,0,0|2,0,0]=2 127 B10R1.61 c1cc(c(nc1)N)[N+](=O)[O-] TS00726 [0,0,0,0,0,0|3,0,1]=4 128 B10R1.61 c1cc(c(nc1)O)C(=O)O TS02008 [0,0,0,0,0,0|1,0,0]=1 129 B10R1.61 c1cc(c(nc1)O)[N+](=O)[O-] TS55387 [0,0,0,0,0,0|2,0,1]=3 130 B10R1.61 c1cc(c(nc1)S)C(=O)O TS41510 [0,0,0,0,0,0|1,1,0]=2 131 B10R1.61 c1cc(c(nc1)S)[N+](=O)[O-] TS02857 [0,0,0,0,0,0|2,1,1]=4 132 B10R1.61 c1cc(c(nc1)[N+](=O)[O-])Br TS65910 [0,0,0,0,0,0|3,0,1]=4 133 B10R1.61 c1cc(c(nc1)[N+](=O)[O-])Cl TS65981 [0,0,0,0,0,0|3,0,1]=4 134 B10R1.61 c1cc(c(nc1)[N+](=O)[O-])F TS70576 [0,0,0,0,0,0|3,0,1]=4 135 B10R1.61 c1cc(c(nc1)[N+](=O)[O-])I TS62779 [0,0,0,0,0,0|3,0,1]=4 136 B10R1.61 c1cc(c(nc1)[N+](=O)[O-])N TS09399 [0,0,0,0,0,0|3,0,1]=4 137 B10R1.61 c1cc(c(nc1)[N+](=O)[O-])O TS02788 [0,0,0,0,0,0|2,0,1]=3 138 B10R1.61 c1ccc(c(c1)C(=N)N)F TS01020 [0,0,0,0,0,0|3,0,0]=3 139 B10R1.61 c1ccc(c(c1)C(=O)Cl)Br TS55156 [0,0,0,0,0,0|2,0,0]=2 140 B10R1.61 c1ccc(c(c1)C(=O)Cl)Cl TS13613 [0,0,0,0,0,0|2,0,0]=2 141 B10R1.61 c1ccc(c(c1)C(=O)Cl)F TS11080 [0,0,0,0,0,0|2,0,0]=2 142 B10R1.61 c1ccc(c(c1)C(=O)Cl)I TS07725 [0,0,0,0,0,0|2,0,0]=2 143 B10R1.61 c1ccc(c(c1)C(=O)N)Br TS18931 [0,0,0,0,0,0|2,0,0]=2 144 B10R1.61 c1ccc(c(c1)C(=O)N)Cl TS41556 [0,0,0,0,0,0|2,0,0]=2 145 B10R1.61 c1ccc(c(c1)C(=O)N)F TS37265 [0,0,0,0,0,0|2,0,0]=2 146 B10R1.61 c1ccc(c(c1)C(=O)N)I TS62383 [0,0,0,0,0,0|2,0,0]=2 147 B10R1.61 c1ccc(c(c1)C(=O)N)N TS06064 [0,0,0,0,0,0|2,0,0]=2 148 B10R1.61 c1ccc(c(c1)C(=O)N)O TS37091 [0,0,0,0,0,0|1,0,0]=1 149 B10R1.61 c1ccc(c(c1)C(=O)O)Br TS55155 [0,0,0,0,0,0|1,0,0]=1 150 B10R1.61 c1ccc(c(c1)C(=O)O)Cl TS00073 [0,0,0,0,0,0|1,0,0]=1 151 B10R1.61 c1ccc(c(c1)C(=O)O)I TS01784 [0,0,0,0,0,0|1,0,0]=1 152 B10R1.61 c1ccc(c(c1)C(=O)O)N TS37101 [0,0,0,0,0,0|1,0,0]=1 153 B10R1.61 c1ccc(c(c1)C(=O)O)O TS06230 [0,0,0,0,0,0|0,0,0]=0 154 B10R1.61 c1ccc(c(c1)C(=O)O)O TS21137 [0,0,0,0,0,0|0,0,0]=0 155 B10R1.61 c1ccc(c(c1)C(=O)O)O TS35051 [0,0,0,0,0,0|0,0,0]=0 156 B10R1.61 c1ccc(c(c1)C(=O)O)S TS39677 [0,0,0,0,0,0|0,1,0]=1 157 B10R1.61 c1ccc(c(c1)C(=O)[O-])F TS11489 [0,0,0,0,0,0|1,0,1]=2 158 B10R1.61 c1ccc(c(c1)C(=O)[O-])N TS11099 [0,0,0,0,0,0|1,0,1]=2 159 B10R1.61 c1ccc(c(c1)C(=O)[O-])N TS58695 [0,0,0,0,0,0|1,0,1]=2 160 B10R1.61 c1ccc(c(c1)C(=O)[O-])O TS06906 [0,0,0,0,0,0|0,0,1]=1 161 B10R1.61 c1ccc(c(c1)C(=O)[O-])O TS41498 [0,0,0,0,0,0|0,0,1]=1 162 B10R1.61 c1ccc(c(c1)C(=O)[O-])O TS42111 [0,0,0,0,0,0|0,0,1]=1 163 B10R1.61 c1ccc(c(c1)C(=O)[O-])O TS46100 [0,0,0,0,0,0|0,0,1]=1 164 B10R1.61 c1ccc(c(c1)C(=O)[O-])O TS62094 [0,0,0,0,0,0|0,0,1]=1 165 B10R1.61 c1ccc(c(c1)C(=O)[O-])O TS66456 [0,0,0,0,0,0|0,0,1]=1 166 B10R1.61 c1ccc(c(c1)C(=O)[O-])O TS76682 [0,0,0,0,0,0|0,0,1]=1 167 B10R1.61 c1ccc(c(c1)C(=O)[O-])O TS80592 [0,0,0,0,0,0|0,0,1]=1 168 B10R1.61 c1ccc(c(c1)C(=O)[O-])O TS81548 [0,0,0,0,0,0|0,0,1]=1 169 B10R1.61 c1ccc(c(c1)C(=O)[O-])O TS82956 [0,0,0,0,0,0|0,0,1]=1 170 B10R1.61 c1ccc(c(c1)C(=O)[O-])S TS46069 [0,0,0,0,0,0|0,1,1]=2 171 B10R1.61 c1ccc(c(c1)C(=S)N)Br TS21981 [0,0,0,0,0,0|2,1,0]=3 172 B10R1.61 c1ccc(c(c1)C(=S)N)Cl TS45393 [0,0,0,0,0,0|2,1,0]=3 173 B10R1.61 c1ccc(c(c1)C(=S)N)F TS41513 [0,0,0,0,0,0|2,1,0]=3 174 B10R1.61 c1ccc(c(c1)C(=S)N)N TS41176 [0,0,0,0,0,0|2,1,0]=3 175 B10R1.61 c1ccc(c(c1)C(=S)N)O TS41285 [0,0,0,0,0,0|1,1,0]=2 176 B10R1.61 c1ccc(c(c1)C(Cl)Cl)F TS47662 [0,0,0,0,0,0|3,0,1]=4 177 B10R1.61 c1ccc(c(c1)C(F)F)Br TS59895 [0,0,0,0,0,0|3,0,1]=4 178 B10R1.61 c1ccc(c(c1)N)[N+](=O)[O-] TS37160 [0,0,0,0,0,0|2,0,1]=3 179 B10R1.61 c1ccc(c(c1)N)[N+](=O)[O-] TS45867 [0,0,0,0,0,0|2,0,1]=3 180 B10R1.61 c1ccc(c(c1)[N+](=O)[O-])Br TS46919 [0,0,0,0,0,0|2,0,1]=3 181 B10R1.61 c1ccc(c(c1)[N+](=O)[O-])Cl TS41833 [0,0,0,0,0,0|2,0,1]=3 182 B10R1.61 c1ccc(c(c1)[N+](=O)[O-])F TS01030 [0,0,0,0,0,0|2,0,1]=3 183 B10R1.61 c1ccc(c(c1)[N+](=O)[O-])I TS46971 [0,0,0,0,0,0|2,0,1]=3 184 B10R1.61 c1ccc(c(c1)[N+](=O)[O-])O TS09395 [0,0,0,0,0,0|1,0,1]=2 185 B10R1.61 c1ccc(c(c1)[N+](=O)[O-])O TS42253 [0,0,0,0,0,0|1,0,1]=2 186 B10R1.61 c1ccc(c(c1)[N+](=O)[O-])S TS09401 [0,0,0,0,0,0|1,1,1]=3 187 B10R1.61 c1cnc(c(n1)C(=O)N)O TS60014 [0,0,0,0,0,0|3,0,0]=3 188 B10R1.61 c1cnc(c(n1)C(=O)O)Cl TS66008 [0,0,0,0,0,0|3,0,0]=3 189 B10R1.61 c1cnc(c(n1)C(=O)O)N TS37261 [0,0,0,0,0,0|3,0,0]=3 190 B10R1.61 c1cnc(c(n1)C(=O)O)O TS16634 [0,0,0,0,0,0|2,0,0]=2 191 B10R1.61 c1cncc(c1Br)C(=O)O TS70996 [0,0,0,0,0,0|2,0,0]=2 192 B10R1.61 c1cncc(c1Br)[N+](=O)[O-] TS70979 [0,0,0,0,0,0|3,0,1]=4 193 B10R1.61 c1cncc(c1C(=O)N)Br TS65950 [0,0,0,0,0,0|3,0,0]=3 194 B10R1.61 c1cncc(c1C(=O)O)Br TS75153 [0,0,0,0,0,0|2,0,0]=2 195 B10R1.61 c1cncc(c1C(=O)O)Br TS85456 [0,0,0,0,0,0|2,0,0]=2 196 B10R1.61 c1cncc(c1C(=O)O)Cl TS02717 [0,0,0,0,0,0|2,0,0]=2 197 B10R1.61 c1cncc(c1C(=O)O)F TS70583 [0,0,0,0,0,0|2,0,0]=2 198 B10R1.61 c1cncc(c1C(=O)O)I TS70630 [0,0,0,0,0,0|2,0,0]=2 199 B10R1.61 c1cncc(c1C(=O)O)N TS06238 [0,0,0,0,0,0|2,0,0]=2 200 B10R1.61 c1cncc(c1C(=O)O)N TS85384 [0,0,0,0,0,0|2,0,0]=2 201 B10R1.61 c1cncc(c1C(=O)O)N TS87274 [0,0,0,0,0,0|2,0,0]=2 202 B10R1.61 c1cncc(c1C(=O)O)O TS02801 [0,0,0,0,0,0|1,0,0]=1 203 B10R1.61 c1cncc(c1Cl)C(=O)O TS09676 [0,0,0,0,0,0|2,0,0]=2 204 B10R1.61 c1cncc(c1Cl)[N+](=O)[O-] TS09651 [0,0,0,0,0,0|3,0,1]=4 205 B10R1.61 c1cncc(c1Cl)[N+](=O)[O-] TS09652 [0,0,0,0,0,0|3,0,1]=4 206 B10R1.61 c1cncc(c1F)C(=O)O TS71139 [0,0,0,0,0,0|2,0,0]=2 207 B10R1.61 c1cncc(c1F)[N+](=O)[O-] TS60405 [0,0,0,0,0,0|3,0,1]=4 208 B10R1.61 c1cncc(c1N)C(=O)N TS70898 [0,0,0,0,0,0|3,0,0]=3 209 B10R1.61 c1cncc(c1N)C(=O)O TS37157 [0,0,0,0,0,0|2,0,0]=2 210 B10R1.61 c1cncc(c1N)C(=O)O TS85415 [0,0,0,0,0,0|2,0,0]=2 211 B10R1.61 c1cncc(c1N)[N+](=O)[O-] TS70897 [0,0,0,0,0,0|3,0,1]=4 212 B10R1.61 c1cncc(c1O)C(=O)O TS03130 [0,0,0,0,0,0|1,0,0]=1 213 B10R1.61 c1cncc(c1O)[N+](=O)[O-] TS86034 [0,0,0,0,0,0|2,0,1]=3 214 B10R1.61 c1cncc(c1[N+](=O)[O-])Br TS09463 [0,0,0,0,0,0|3,0,1]=4 215 B10R1.61 c1cncc(c1[N+](=O)[O-])Cl TS65989 [0,0,0,0,0,0|3,0,1]=4 216 B10R1.61 c1cncc(c1[N+](=O)[O-])F TS02766 [0,0,0,0,0,0|3,0,1]=4 217 B10R1.61 c1cncc(c1[N+](=O)[O-])I TS27980 [0,0,0,0,0,0|3,0,1]=4 218 B10R1.61 c1cncc(c1[N+](=O)[O-])N TS71262 [0,0,0,0,0,0|3,0,1]=4 219 B10R1.61 c1cncc(c1[N+](=O)[O-])O TS06414 [0,0,0,0,0,0|2,0,1]=3 220 B10R1.61 c1cnnc(c1C(=O)O)N TS02642 [0,0,0,0,0,0|3,0,0]=3 221 B10R1.61 c1cnnc(c1N)C(=O)O TS32795 [0,0,0,0,0,0|3,0,0]=3 222 B10R1.61 c1nc(c(nn1)N)C(=O)O TS06417 [0,0,0,0,0,0|4,0,0]=4 223 B9R1.6 B(c1ccccc1)(Cl)Cl TS42008 [1,0,0,0,0,0|3,0,0]=4 224 B9R1.6 B(c1ccccc1)(O)O TS59339 [1,0,0,0,0,0|1,0,1]=3 225 B9R1.6 B(c1cccnc1)(O)O TS02468 [1,0,0,0,0,0|2,0,1]=4 226 B9R1.6 B(c1cccnc1)(O)O TS11179 [1,0,0,0,0,0|2,0,1]=4 227 B9R1.6 B(c1ccncc1)(O)O TS39931 [1,0,0,0,0,0|2,0,1]=4 228 B9R1.6 B(c1ccncc1)(O)O TS90264 [1,0,0,0,0,0|2,0,1]=4 229 B9R1.6 B(c1ccncc1)(O)O TS93424 [1,0,0,0,0,0|2,0,1]=4 230 B9R1.6 C=C(c1ccccc1)Br TS48375 [1,0,0,0,0,0|2,0,0]=3 231 B9R1.6 C=C(c1ccccc1)[Zn+] TS08929 [1,0,0,0,0,0|2,0,0]=3 232 B9R1.6 CC(=C)c1ccccc1 TS32349 [1,0,0,0,0,0|2,0,0]=3 233 B9R1.6 CC(=O)c1ccccc1 TS32455 [1,0,0,0,0,0|1,0,0]=2 234 B9R1.6 CC(=O)c1ccccc1 TS32456 [1,0,0,0,0,0|1,0,0]=2 235 B9R1.6 CC(=O)c1ccccc1 TS38236 [1,0,0,0,0,0|1,0,0]=2 236 B9R1.6 CC(=O)c1ccccc1 TS55713 [1,0,0,0,0,0|1,0,0]=2 237 B9R1.6 CC(=O)c1ccccn1 TS04861 [1,0,0,0,0,0|2,0,0]=3 238 B9R1.6 CC(=O)c1cccnc1 TS65831 [1,0,0,0,0,0|2,0,0]=3 239 B9R1.6 CC(=O)c1cccnn1 TS87133 [1,0,0,0,0,0|3,0,0]=4 240 B9R1.6 CC(=O)c1ccncc1 TS02952 [1,0,0,0,0,0|2,0,0]=3 241 B9R1.6 CC(=O)c1ccncn1 TS87400 [1,0,0,0,0,0|3,0,0]=4 242 B9R1.6 CC(=O)c1ccnnc1 TS89714 [1,0,0,0,0,0|3,0,0]=4 243 B9R1.6 CC(=O)c1cnccn1 TS55718 [1,0,0,0,0,0|3,0,0]=4 244 B9R1.6 CC(=O)c1cncnc1 TS46735 [1,0,0,0,0,0|3,0,0]=4 245 B9R1.6 CC(=O)c1ncccn1 TS91588 [1,0,0,0,0,0|3,0,0]=4 246 B9R1.6 CC(c1ccccc1)Cl TS37453 [1,0,0,0,0,0|2,0,1]=4 247 B9R1.6 CC(c1ccccc1)N TS55879 [1,0,0,0,0,0|2,0,1]=4 248 B9R1.6 CC(c1ccccc1)O TS04908 [1,0,0,0,0,0|1,0,1]=3 249 B9R1.6 CC(c1ccccn1)O TS08930 [1,0,0,0,0,0|2,0,1]=4 250 B9R1.6 CN(C)c1ccccc1 TS56353 [1,0,0,0,0,0|3,0,0]=4 251 B9R1.6 CN(c1ccccc1)N TS46980 [1,0,0,0,0,0|3,0,0]=4 252 B9R1.6 CP(C)c1ccccc1 TS37178 [1,0,0,0,0,0|3,0,0]=4 253 B9R1.6 CP(C)c1ccccc1 TS75399 [1,0,0,0,0,0|3,0,0]=4 254 B9R1.6 C[C@@H](c1ccccc1)N TS93610 [1,0,0,0,0,0|2,0,1]=4 255 B9R1.6 C[C@@H](c1ccccc1)O TS04904 [1,0,0,0,0,0|1,0,1]=3 256 B9R1.6 C[C@@H](c1ccccn1)O TS04971 [1,0,0,0,0,0|2,0,1]=4 257 B9R1.6 C[C@@H](c1cccnc1)O TS04970 [1,0,0,0,0,0|2,0,1]=4 258 B9R1.6 C[C@@H](c1ccncc1)O TS32559 [1,0,0,0,0,0|2,0,1]=4 259 B9R1.6 C[C@H](c1ccccc1)N TS00310 [1,0,0,0,0,0|2,0,1]=4 260 B9R1.6 C[C@H](c1ccccc1)N TS29339 [1,0,0,0,0,0|2,0,1]=4 261 B9R1.6 C[C@H](c1ccccc1)O TS04906 [1,0,0,0,0,0|1,0,1]=3 262 B9R1.6 C[C@H](c1ccccn1)O TS04976 [1,0,0,0,0,0|2,0,1]=4 263 B9R1.6 C[C@H](c1cccnc1)O TS04956 [1,0,0,0,0,0|2,0,1]=4 264 B9R1.6 C[C@H](c1ccncc1)O TS39982 [1,0,0,0,0,0|2,0,1]=4 265 B9R1.6 C[SiH](C)c1ccccc1 TS37063 [1,0,0,0,0,0|2,1,0]=4 266 B9R1.6 c1c(cncn1)C(=O)O TS11330 [1,0,0,0,0,0|2,0,0]=3 267 B9R1.6 c1c(cncn1)C(=O)O TS88781 [1,0,0,0,0,0|2,0,0]=3 268 B9R1.6 c1c(cncn1)C(=O)[O-] TS40359 [1,0,0,0,0,0|2,0,1]=4 269 B9R1.6 c1c[nH+]ccc1C(=N)N TS02953 [1,0,0,0,0,0|3,0,0]=4 270 B9R1.6 c1cc(cnc1)C(=O)Cl TS01937 [1,0,0,0,0,0|2,0,0]=3 271 B9R1.6 c1cc(cnc1)C(=O)Cl TS56401 [1,0,0,0,0,0|2,0,0]=3 272 B9R1.6 c1cc(cnc1)C(=O)N TS32591 [1,0,0,0,0,0|2,0,0]=3 273 B9R1.6 c1cc(cnc1)C(=O)N TS62787 [1,0,0,0,0,0|2,0,0]=3 274 B9R1.6 c1cc(cnc1)C(=O)N TS65239 [1,0,0,0,0,0|2,0,0]=3 275 B9R1.6 c1cc(cnc1)C(=O)O TS36046 [1,0,0,0,0,0|1,0,0]=2 276 B9R1.6 c1cc(cnc1)C(=O)[O-] TS07068 [1,0,0,0,0,0|1,0,1]=3 277 B9R1.6 c1cc(cnc1)C(=O)[O-] TS73812 [1,0,0,0,0,0|1,0,1]=3 278 B9R1.6 c1cc(cnc1)C(=O)[O-] TS81627 [1,0,0,0,0,0|1,0,1]=3 279 B9R1.6 c1cc(cnc1)C(=S)N TS00280 [1,0,0,0,0,0|2,1,0]=4 280 B9R1.6 c1cc(cnc1)C(=S)O TS37303 [1,0,0,0,0,0|1,1,0]=3 281 B9R1.6 c1cc(cnc1)[N+](=O)[O-] TS05007 [1,0,0,0,0,0|2,0,1]=4 282 B9R1.6 c1cc(nnc1)C(=O)O TS59367 [1,0,0,0,0,0|2,0,0]=3 283 B9R1.6 c1ccc(cc1)C(=N)N TS04816 [1,0,0,0,0,0|2,0,0]=3 284 B9R1.6 c1ccc(cc1)C(=N)N TS13608 [1,0,0,0,0,0|2,0,0]=3 285 B9R1.6 c1ccc(cc1)C(=N)N TS55741 [1,0,0,0,0,0|2,0,0]=3 286 B9R1.6 c1ccc(cc1)C(=O)Br TS15413 [1,0,0,0,0,0|1,0,0]=2 287 B9R1.6 c1ccc(cc1)C(=O)Cl TS37445 [1,0,0,0,0,0|1,0,0]=2 288 B9R1.6 c1ccc(cc1)C(=O)F TS32590 [1,0,0,0,0,0|1,0,0]=2 289 B9R1.6 c1ccc(cc1)C(=O)N TS04862 [1,0,0,0,0,0|1,0,0]=2 290 B9R1.6 c1ccc(cc1)C(=O)O TS20747 [1,0,0,0,0,0|0,0,0]=1 291 B9R1.6 c1ccc(cc1)C(=O)O TS21872 [1,0,0,0,0,0|0,0,0]=1 292 B9R1.6 c1ccc(cc1)C(=O)O TS32552 [1,0,0,0,0,0|0,0,0]=1 293 B9R1.6 c1ccc(cc1)C(=O)O TS46282 [1,0,0,0,0,0|0,0,0]=1 294 B9R1.6 c1ccc(cc1)C(=O)O TS93416 [1,0,0,0,0,0|0,0,0]=1 295 B9R1.6 c1ccc(cc1)C(=O)[O-] TS05306 [1,0,0,0,0,0|0,0,1]=2 296 B9R1.6 c1ccc(cc1)C(=O)[O-] TS06916 [1,0,0,0,0,0|0,0,1]=2 297 B9R1.6 c1ccc(cc1)C(=O)[O-] TS30348 [1,0,0,0,0,0|0,0,1]=2 298 B9R1.6 c1ccc(cc1)C(=O)[O-] TS42179 [1,0,0,0,0,0|0,0,1]=2 299 B9R1.6 c1ccc(cc1)C(=O)[O-] TS52761 [1,0,0,0,0,0|0,0,1]=2 300 B9R1.6 c1ccc(cc1)C(=S)N TS01727 [1,0,0,0,0,0|1,1,0]=3 301 B9R1.6 c1ccc(cc1)C(=S)O TS06290 [1,0,0,0,0,0|0,1,0]=2 302 B9R1.6 c1ccc(cc1)C(Br)Br TS27976 [1,0,0,0,0,0|2,0,1]=4 303 B9R1.6 c1ccc(cc1)C(F)Cl TS40273 [1,0,0,0,0,0|2,0,1]=4 304 B9R1.6 c1ccc(cc1)I(=O)=O TS25817 [1,0,0,0,0,0|1,0,1]=3 305 B9R1.6 c1ccc(cc1)I(Cl)Cl TS07874 [1,0,0,0,0,0|3,0,0]=4 306 B9R1.6 c1ccc(cc1)P(=O)O TS59341 [1,0,0,0,0,0|1,0,0]=2 307 B9R1.6 c1ccc(cc1)P(=O)[O-] TS42670 [1,0,0,0,0,0|1,0,1]=3 308 B9R1.6 c1ccc(cc1)P(Cl)Cl TS14332 [1,0,0,0,0,0|3,0,0]=4 309 B9R1.6 c1ccc(cc1)S(=O)[O-] TS11824 [1,0,0,0,0,0|1,0,1]=3 310 B9R1.6 c1ccc(cc1)S(=O)[O-] TS37866 [1,0,0,0,0,0|1,0,1]=3 311 B9R1.6 c1ccc(cc1)S(=O)[O-] TS78880 [1,0,0,0,0,0|1,0,1]=3 312 B9R1.6 c1ccc(cc1)[N+](=O)[O-] TS32550 [1,0,0,0,0,0|1,0,1]=3 313 B9R1.6 c1ccc(cc1)[SiH](Cl)Cl TS46224 [1,0,0,0,0,0|2,1,0]=4 314 B9R1.6 c1ccnc(c1)C(=N)N TS10924 [1,0,0,0,0,0|3,0,0]=4 315 B9R1.6 c1ccnc(c1)C(=O)Cl TS46362 [1,0,0,0,0,0|2,0,0]=3 316 B9R1.6 c1ccnc(c1)C(=O)N TS32493 [1,0,0,0,0,0|2,0,0]=3 317 B9R1.6 c1ccnc(c1)C(=O)O TS02470 [1,0,0,0,0,0|1,0,0]=2 318 B9R1.6 c1ccnc(c1)C(=O)[O-] TS07067 [1,0,0,0,0,0|1,0,1]=3 319 B9R1.6 c1ccnc(c1)C(=O)[O-] TS58877 [1,0,0,0,0,0|1,0,1]=3 320 B9R1.6 c1ccnc(c1)C(=O)[O-] TS76363 [1,0,0,0,0,0|1,0,1]=3 321 B9R1.6 c1ccnc(c1)C(=O)[O-] TS81628 [1,0,0,0,0,0|1,0,1]=3 322 B9R1.6 c1ccnc(c1)C(=O)[O-] TS93320 [1,0,0,0,0,0|1,0,1]=3 323 B9R1.6 c1ccnc(c1)C(=S)N TS06297 [1,0,0,0,0,0|2,1,0]=4 324 B9R1.6 c1cnc(cn1)C(=O)Cl TS37679 [1,0,0,0,0,0|3,0,0]=4 325 B9R1.6 c1cnc(cn1)C(=O)O TS59361 [1,0,0,0,0,0|2,0,0]=3 326 B9R1.6 c1cnc(nc1)C(=O)O TS87638 [1,0,0,0,0,0|2,0,0]=3 327 B9R1.6 c1cnccc1C(=N)N TS01862 [1,0,0,0,0,0|3,0,0]=4 328 B9R1.6 c1cnccc1C(=O)Cl TS46358 [1,0,0,0,0,0|2,0,0]=3 329 B9R1.6 c1cnccc1C(=O)N TS74511 [1,0,0,0,0,0|2,0,0]=3 330 B9R1.6 c1cnccc1C(=O)O TS01508 [1,0,0,0,0,0|1,0,0]=2 331 B9R1.6 c1cnccc1C(=O)[O-] TS07066 [1,0,0,0,0,0|1,0,1]=3 332 B9R1.6 c1cnccc1C(=S)N TS06294 [1,0,0,0,0,0|2,1,0]=4 333 B9R1.6 c1cnccc1[N+](=O)[O-] TS05008 [1,0,0,0,0,0|2,0,1]=4 334 B9R1.6 c1cncnc1C(=O)O TS90236 [1,0,0,0,0,0|2,0,0]=3 335 B9R1.6 c1cnnc(n1)C(=O)O TS36044 [1,0,0,0,0,0|3,0,0]=4 336 B9R1.6 c1cnncc1C(=O)O TS59368 [1,0,0,0,0,0|2,0,0]=3 337 B9R1.15 C#Cc1ccccc1Br TS48023 [1,0,0,0,0,0|2,0,1]=4 338 B9R1.15 C#Cc1ccccc1Cl TS55288 [1,0,0,0,0,0|2,0,1]=4 339 B9R1.15 C#Cc1ccccc1F TS77181 [1,0,0,0,0,0|2,0,1]=4 340 B9R1.15 C#Cc1ccccc1O TS55318 [1,0,0,0,0,0|1,0,1]=3 341 B9R1.15 C=Cc1ccccc1Br TS55173 [1,0,0,0,0,0|2,0,0]=3 342 B9R1.15 C=Cc1ccccc1Cl TS00968 [1,0,0,0,0,0|2,0,0]=3 343 B9R1.15 C=Cc1ccccc1F TS32504 [1,0,0,0,0,0|2,0,0]=3 344 B9R1.15 C=Cc1ccccc1I TS24807 [1,0,0,0,0,0|2,0,0]=3 345 B9R1.15 CCc1ccccc1Br TS15420 [1,0,0,0,0,0|2,0,1]=4 346 B9R1.15 CCc1ccccc1C TS16337 [1,0,0,0,0,0|2,0,1]=4 347 B9R1.15 CCc1ccccc1Cl TS37450 [1,0,0,0,0,0|2,0,1]=4 348 B9R1.15 CCc1ccccc1I TS25157 [1,0,0,0,0,0|2,0,1]=4 349 B9R1.15 CCc1ccccc1N TS32474 [1,0,0,0,0,0|2,0,1]=4 350 B9R1.15 CCc1ccccc1O TS04900 [1,0,0,0,0,0|1,0,1]=3 351 B9R1.15 CCc1ccccc1S TS06304 [1,0,0,0,0,0|1,1,1]=4 352 B9R1.15 CNc1ccccc1Cl TS37531 [1,0,0,0,0,0|3,0,0]=4 353 B9R1.15 CNc1ccccc1F TS56413 [1,0,0,0,0,0|3,0,0]=4 354 B9R1.15 CNc1ccccc1N TS01587 [1,0,0,0,0,0|3,0,0]=4 355 B9R1.15 CNc1ccccc1N TS41998 [1,0,0,0,0,0|3,0,0]=4 356 B9R1.15 CNc1ccccc1N TS60152 [1,0,0,0,0,0|3,0,0]=4 357 B9R1.15 CNc1ccccc1O TS04968 [1,0,0,0,0,0|2,0,0]=3 358 B9R1.15 COc1ccccc1Br TS00023 [1,0,0,0,0,0|3,0,0]=4 359 B9R1.15 COc1ccccc1Cl TS37688 [1,0,0,0,0,0|3,0,0]=4 360 B9R1.15 COc1ccccc1F TS60288 [1,0,0,0,0,0|3,0,0]=4 361 B9R1.15 COc1ccccc1I TS09308 [1,0,0,0,0,0|3,0,0]=4 362 B9R1.15 COc1ccccc1N TS29238 [1,0,0,0,0,0|3,0,0]=4 363 B9R1.15 COc1ccccc1N TS59329 [1,0,0,0,0,0|3,0,0]=4 364 B9R1.15 COc1ccccc1P TS06425 [1,0,0,0,0,0|3,0,0]=4 365 B9R1.15 COc1ccccc1S TS37393 [1,0,0,0,0,0|2,1,0]=4 366 B9R1.15 COc1ccccc1[Zn+] TS74540 [1,0,0,0,0,0|3,0,0]=4 367 B9R1.15 COc1cccnc1O TS55383 [1,0,0,0,0,0|3,0,0]=4 368 B9R1.15 CSc1ccccc1Br TS19526 [1,0,0,0,0,0|3,0,0]=4 369 B9R1.15 CSc1ccccc1Cl TS42002 [1,0,0,0,0,0|3,0,0]=4 370 B9R1.15 CSc1ccccc1F TS06689 [1,0,0,0,0,0|3,0,0]=4 371 B9R1.15 CSc1ccccc1I TS27990 [1,0,0,0,0,0|3,0,0]=4 372 B9R1.15 CSc1ccccc1O TS37395 [1,0,0,0,0,0|2,0,0]=3 373 B9R1.15 CSc1ccccc1[Zn+] TS76795 [1,0,0,0,0,0|3,0,0]=4 374 B9R1.15 Cc1c(cccn1)C=O TS02436 [1,0,0,0,0,0|2,0,0]=3 375 B9R1.15 Cc1c(cccn1)CO TS04969 [1,0,0,0,0,0|2,0,1]=4 376 B9R1.15 Cc1c(nccn1)C=O TS86293 [1,0,0,0,0,0|3,0,0]=4 377 B9R1.15 Cc1ccccc1C#C TS02442 [1,0,0,0,0,0|2,0,1]=4 378 B9R1.15 Cc1ccccc1C#N TS04680 [1,0,0,0,0,0|2,0,1]=4 379 B9R1.15 Cc1ccccc1C=C TS02453 [1,0,0,0,0,0|2,0,0]=3 380 B9R1.15 Cc1ccccc1C=O TS04808 [1,0,0,0,0,0|1,0,0]=2 381 B9R1.15 Cc1ccccc1CBr TS01133 [1,0,0,0,0,0|2,0,1]=4 382 B9R1.15 Cc1ccccc1CCl TS37456 [1,0,0,0,0,0|2,0,1]=4 383 B9R1.15 Cc1ccccc1CN TS04867 [1,0,0,0,0,0|2,0,1]=4 384 B9R1.15 Cc1ccccc1CO TS04907 [1,0,0,0,0,0|1,0,1]=3 385 B9R1.15 Cc1ccccc1CS TS06308 [1,0,0,0,0,0|1,1,1]=4 386 B9R1.15 Cc1ccccc1NC TS32471 [1,0,0,0,0,0|3,0,0]=4 387 B9R1.15 Cc1ccccc1NN TS60156 [1,0,0,0,0,0|3,0,0]=4 388 B9R1.15 Cc1ccccc1OC TS32508 [1,0,0,0,0,0|3,0,0]=4 389 B9R1.15 Cc1ccccc1[Mg]Br TS52065 [1,0,0,0,0,0|3,0,0]=4 390 B9R1.15 Cc1ccccc1[Mg]Cl TS40954 [1,0,0,0,0,0|3,0,0]=4 391 B9R1.15 Cc1cccnc1C=O TS70677 [1,0,0,0,0,0|2,0,0]=3 392 B9R1.15 Cc1cccnc1CO TS04977 [1,0,0,0,0,0|2,0,1]=4 393 B9R1.15 Cc1ccncc1C=O TS32454 [1,0,0,0,0,0|2,0,0]=3 394 B9R1.15 Cc1ccncc1CO TS04980 [1,0,0,0,0,0|2,0,1]=4 395 B9R1.15 Cc1cnccc1C=O TS02833 [1,0,0,0,0,0|2,0,0]=3 396 B9R1.15 Cc1cnccc1CO TS91100 [1,0,0,0,0,0|2,0,1]=4 397 B9R1.15 [C-]#[N+]c1ccccc1Br TS14868 [1,0,0,0,0,0|3,0,0]=4 398 B9R1.15 [C-]#[N+]c1ccccc1Cl TS37133 [1,0,0,0,0,0|3,0,0]=4 399 B9R1.15 c1cc(c(nc1)Br)C=O TS08314 [1,0,0,0,0,0|2,0,0]=3 400 B9R1.15 c1cc(c(nc1)C#N)O TS55289 [1,0,0,0,0,0|2,0,1]=4 401 B9R1.15 c1cc(c(nc1)C=O)Cl TS85387 [1,0,0,0,0,0|2,0,0]=3 402 B9R1.15 c1cc(c(nc1)C=O)F TS70563 [1,0,0,0,0,0|2,0,0]=3 403 B9R1.15 c1cc(c(nc1)C=O)N TS32498 [1,0,0,0,0,0|2,0,0]=3 404 B9R1.15 c1cc(c(nc1)C=O)O TS02794 [1,0,0,0,0,0|1,0,0]=2 405 B9R1.15 c1cc(c(nc1)CBr)O TS08820 [1,0,0,0,0,0|2,0,1]=4 406 B9R1.15 c1cc(c(nc1)CO)F TS88540 [1,0,0,0,0,0|2,0,1]=4 407 B9R1.15 c1cc(c(nc1)CO)N TS05011 [1,0,0,0,0,0|2,0,1]=4 408 B9R1.15 c1cc(c(nc1)CO)O TS55400 [1,0,0,0,0,0|1,0,1]=3 409 B9R1.15 c1cc(c(nc1)CO)O TS70604 [1,0,0,0,0,0|1,0,1]=3 410 B9R1.15 c1cc(c(nc1)Cl)C=O TS55210 [1,0,0,0,0,0|2,0,0]=3 411 B9R1.15 c1cc(c(nc1)Cl)CO TS55211 [1,0,0,0,0,0|2,0,1]=4 412 B9R1.15 c1cc(c(nc1)F)C=O TS55324 [1,0,0,0,0,0|2,0,0]=3 413 B9R1.15 c1cc(c(nc1)F)CO TS55320 [1,0,0,0,0,0|2,0,1]=4 414 B9R1.15 c1cc(c(nc1)N)CO TS47364 [1,0,0,0,0,0|2,0,1]=4 415 B9R1.15 c1cc(c(nc1)O)C#N TS07723 [1,0,0,0,0,0|2,0,1]=4 416 B9R1.15 c1cc(c(nc1)O)C=O TS09407 [1,0,0,0,0,0|1,0,0]=2 417 B9R1.15 c1cc(c(nc1)O)CN TS42244 [1,0,0,0,0,0|2,0,1]=4 418 B9R1.15 c1ccc(c(c1)C#N)Br TS08819 [1,0,0,0,0,0|2,0,1]=4 419 B9R1.15 c1ccc(c(c1)C#N)Cl TS37134 [1,0,0,0,0,0|2,0,1]=4 420 B9R1.15 c1ccc(c(c1)C#N)F TS01022 [1,0,0,0,0,0|2,0,1]=4 421 B9R1.15 c1ccc(c(c1)C#N)I TS60301 [1,0,0,0,0,0|2,0,1]=4 422 B9R1.15 c1ccc(c(c1)C#N)N TS47464 [1,0,0,0,0,0|2,0,1]=4 423 B9R1.15 c1ccc(c(c1)C#N)O TS09306 [1,0,0,0,0,0|1,0,1]=3 424 B9R1.15 c1ccc(c(c1)C#N)[Zn+] TS27646 [1,0,0,0,0,0|2,0,1]=4 425 B9R1.15 c1ccc(c(c1)C=O)Br TS55151 [1,0,0,0,0,0|1,0,0]=2 426 B9R1.15 c1ccc(c(c1)C=O)Cl TS00949 [1,0,0,0,0,0|1,0,0]=2 427 B9R1.15 c1ccc(c(c1)C=O)F TS01019 [1,0,0,0,0,0|1,0,0]=2 428 B9R1.15 c1ccc(c(c1)C=O)I TS02011 [1,0,0,0,0,0|1,0,0]=2 429 B9R1.15 c1ccc(c(c1)C=O)N TS10911 [1,0,0,0,0,0|1,0,0]=2 430 B9R1.15 c1ccc(c(c1)C=O)N TS47463 [1,0,0,0,0,0|1,0,0]=2 431 B9R1.15 c1ccc(c(c1)C=O)O TS32489 [1,0,0,0,0,0|0,0,0]=1 432 B9R1.15 c1ccc(c(c1)CBr)Br TS55159 [1,0,0,0,0,0|2,0,1]=4 433 B9R1.15 c1ccc(c(c1)CBr)Cl TS20044 [1,0,0,0,0,0|2,0,1]=4 434 B9R1.15 c1ccc(c(c1)CBr)F TS01023 [1,0,0,0,0,0|2,0,1]=4 435 B9R1.15 c1ccc(c(c1)CBr)I TS01081 [1,0,0,0,0,0|2,0,1]=4 436 B9R1.15 c1ccc(c(c1)CBr)O TS49014 [1,0,0,0,0,0|1,0,1]=3 437 B9R1.15 c1ccc(c(c1)CCl)Br TS20043 [1,0,0,0,0,0|2,0,1]=4 438 B9R1.15 c1ccc(c(c1)CCl)Cl TS11356 [1,0,0,0,0,0|2,0,1]=4 439 B9R1.15 c1ccc(c(c1)CCl)F TS55731 [1,0,0,0,0,0|2,0,1]=4 440 B9R1.15 c1ccc(c(c1)CN)Br TS23567 [1,0,0,0,0,0|2,0,1]=4 441 B9R1.15 c1ccc(c(c1)CN)Br TS55158 [1,0,0,0,0,0|2,0,1]=4 442 B9R1.15 c1ccc(c(c1)CN)Cl TS37533 [1,0,0,0,0,0|2,0,1]=4 443 B9R1.15 c1ccc(c(c1)CN)F TS65429 [1,0,0,0,0,0|2,0,1]=4 444 B9R1.15 c1ccc(c(c1)CN)I TS53416 [1,0,0,0,0,0|2,0,1]=4 445 B9R1.15 c1ccc(c(c1)CN)N TS39642 [1,0,0,0,0,0|2,0,1]=4 446 B9R1.15 c1ccc(c(c1)CN)O TS04954 [1,0,0,0,0,0|1,0,1]=3 447 B9R1.15 c1ccc(c(c1)CO)Br TS55157 [1,0,0,0,0,0|1,0,1]=3 448 B9R1.15 c1ccc(c(c1)CO)Cl TS37683 [1,0,0,0,0,0|1,0,1]=3 449 B9R1.15 c1ccc(c(c1)CO)F TS36110 [1,0,0,0,0,0|1,0,1]=3 450 B9R1.15 c1ccc(c(c1)CO)I TS01080 [1,0,0,0,0,0|1,0,1]=3 451 B9R1.15 c1ccc(c(c1)CO)N TS47468 [1,0,0,0,0,0|1,0,1]=3 452 B9R1.15 c1ccc(c(c1)CO)O TS32604 [1,0,0,0,0,0|0,0,1]=2 453 B9R1.15 c1ccc(c(c1)CO)S TS37394 [1,0,0,0,0,0|0,1,1]=3 454 B9R1.15 c1ccc(c(c1)CS)Br TS19524 [1,0,0,0,0,0|1,1,1]=4 455 B9R1.15 c1ccc(c(c1)CS)Cl TS42000 [1,0,0,0,0,0|1,1,1]=4 456 B9R1.15 c1ccc(c(c1)CS)F TS06685 [1,0,0,0,0,0|1,1,1]=4 457 B9R1.15 c1ccc(c(c1)NN)Br TS08822 [1,0,0,0,0,0|3,0,0]=4 458 B9R1.15 c1ccc(c(c1)NN)Br TS65388 [1,0,0,0,0,0|3,0,0]=4 459 B9R1.15 c1ccc(c(c1)NN)F TS01033 [1,0,0,0,0,0|3,0,0]=4 460 B9R1.15 c1ccc(c(c1)NN)F TS01034 [1,0,0,0,0,0|3,0,0]=4 461 B9R1.15 c1ccc(c(c1)O)[Hg]Cl TS77784 [1,0,0,0,0,0|2,0,0]=3 462 B9R1.15 c1cnc(c(n1)C=O)Cl TS66006 [1,0,0,0,0,0|3,0,0]=4 463 B9R1.15 c1cnc(c(n1)C=O)N TS85705 [1,0,0,0,0,0|3,0,0]=4 464 B9R1.15 c1cncc(c1Br)C=O TS09580 [1,0,0,0,0,0|2,0,0]=3 465 B9R1.15 c1cncc(c1C=O)Br TS48819 [1,0,0,0,0,0|2,0,0]=3 466 B9R1.15 c1cncc(c1C=O)Cl TS02716 [1,0,0,0,0,0|2,0,0]=3 467 B9R1.15 c1cncc(c1C=O)F TS36047 [1,0,0,0,0,0|2,0,0]=3 468 B9R1.15 c1cncc(c1C=O)N TS32500 [1,0,0,0,0,0|2,0,0]=3 469 B9R1.15 c1cncc(c1C=O)O TS02800 [1,0,0,0,0,0|1,0,0]=2 470 B9R1.15 c1cncc(c1CO)Br TS87802 [1,0,0,0,0,0|2,0,1]=4 471 B9R1.15 c1cncc(c1CO)F TS90447 [1,0,0,0,0,0|2,0,1]=4 472 B9R1.15 c1cncc(c1CO)N TS05021 [1,0,0,0,0,0|2,0,1]=4 473 B9R1.15 c1cncc(c1CO)O TS05089 [1,0,0,0,0,0|1,0,1]=3 474 B9R1.15 c1cncc(c1Cl)C=O TS09675 [1,0,0,0,0,0|2,0,0]=3 475 B9R1.15 c1cncc(c1Cl)CO TS08032 [1,0,0,0,0,0|2,0,1]=4 476 B9R1.15 c1cncc(c1F)C=O TS33163 [1,0,0,0,0,0|2,0,0]=3 477 B9R1.15 c1cncc(c1N)C=O TS70883 [1,0,0,0,0,0|2,0,0]=3 478 B9R1.15 c1cncc(c1N)CO TS32608 [1,0,0,0,0,0|2,0,1]=4 479 B11R1.53 B(c1c[nH+]ccc1OC)(O)O TS50972 [0,1,0,0,0,0|2,0,1]=4 480 B11R1.53 B(c1ccccc1C#N)(O)O TS55305 [0,1,0,0,0,0|2,0,1]=4 481 B11R1.53 B(c1ccccc1C=C)(O)O TS07979 [0,1,0,0,0,0|2,0,1]=4 482 B11R1.53 B(c1ccccc1C=O)(O)O TS01042 [0,1,0,0,0,0|1,0,2]=4 483 B11R1.53 B(c1ccccc1CBr)(O)O TS00851 [0,1,0,0,0,0|2,0,1]=4 484 B11R1.53 B(c1ccccc1CC)(O)O TS46398 [0,1,0,0,0,0|2,0,1]=4 485 B11R1.53 B(c1ccccc1CN)(O)O TS40958 [0,1,0,0,0,0|2,0,1]=4 486 B11R1.53 B(c1ccccc1SC)(O)O TS00233 [0,1,0,0,0,0|1,1,1]=4 487 B11R1.53 B(c1cccnc1OC)(O)O TS85483 [0,1,0,0,0,0|2,0,1]=4 488 B11R1.53 B(c1ccncc1OC)(O)O TS46472 [0,1,0,0,0,0|2,0,1]=4 489 B11R1.53 B(c1cnccc1OC)(O)O TS71217 [0,1,0,0,0,0|2,0,1]=4 490 B11R1.53 C#Cc1ccccc1C(=O)O TS07176 [0,1,0,0,0,0|1,0,0]=2 491 B11R1.53 C#Cc1ccccc1[N+](=O)[O-] TS07296 [0,1,0,0,0,0|2,0,1]=4 492 B11R1.53 CC(=O)c1ccccc1C#N TS07089 [0,1,0,0,0,0|2,0,0]=3 493 B11R1.53 CC(=O)c1ccccc1OC TS09870 [0,1,0,0,0,0|1,0,0]=2 494 B11R1.53 CC(C)c1ccccc1OC TS40899 [0,1,0,0,0,0|2,0,1]=4 495 B11R1.53 CCc1ccccc1C(=O)O TS55311 [0,1,0,0,0,0|1,0,0]=2 496 B11R1.53 CCc1ccccc1C(=S)N TS12087 [0,1,0,0,0,0|2,1,0]=4 497 B11R1.53 CCc1ccccc1N(=O)=O TS39599 [0,1,0,0,0,0|2,0,1]=4 498 B11R1.53 CNc1c(cccn1)C(=O)O TS41111 [0,1,0,0,0,0|2,0,0]=3 499 B11R1.53 CNc1ccccc1C(=O)N TS09878 [0,1,0,0,0,0|2,0,0]=3 500 B11R1.53 CNc1ccccc1C(=O)O TS40996 [0,1,0,0,0,0|1,0,0]=2 501 B11R1.53 CNc1ccccc1[N+](=O)[O-] TS41127 [0,1,0,0,0,0|2,0,1]=4 502 B11R1.53 COc1c(cccn1)C(=O)O TS41256 [0,1,0,0,0,0|1,0,0]=2 503 B11R1.53 COc1c(cccn1)[N+](=O)[O-] TS01088 [0,1,0,0,0,0|2,0,1]=4 504 B11R1.53 COc1ccccc1C(=N)N TS15732 [0,1,0,0,0,0|2,0,0]=3 505 B11R1.53 COc1ccccc1C(=O)Cl TS12916 [0,1,0,0,0,0|1,0,0]=2 506 B11R1.53 COc1ccccc1C(=O)N TS10036 [0,1,0,0,0,0|1,0,0]=2 507 B11R1.53 COc1ccccc1C(=O)O TS00089 [0,1,0,0,0,0|0,0,0]=1 508 B11R1.53 COc1ccccc1C(=S)N TS12414 [0,1,0,0,0,0|1,1,0]=3 509 B11R1.53 COc1ccccc1[N+](=O)[O-] TS41258 [0,1,0,0,0,0|1,0,1]=3 510 B11R1.53 COc1cccnc1C(=O)O TS41254 [0,1,0,0,0,0|1,0,0]=2 511 B11R1.53 COc1cccnc1[N+](=O)[O-] TS10391 [0,1,0,0,0,0|2,0,1]=4 512 B11R1.53 COc1ccncc1[N+](=O)[O-] TS71214 [0,1,0,0,0,0|2,0,1]=4 513 B11R1.53 COc1ccncc1[N+](=O)[O-] TS71215 [0,1,0,0,0,0|2,0,1]=4 514 B11R1.53 COc1cnccc1C(=O)O TS02821 [0,1,0,0,0,0|1,0,0]=2 515 B11R1.53 CSc1c(cccn1)C(=O)O TS02456 [0,1,0,0,0,0|1,1,0]=3 516 B11R1.53 CSc1ccccc1C(=O)O TS44885 [0,1,0,0,0,0|0,1,0]=2 517 B11R1.53 CSc1ccccc1[N+](=O)[O-] TS59981 [0,1,0,0,0,0|1,1,1]=4 518 B11R1.53 C[C@@H](c1ccccc1OC)N TS10074 [0,1,0,0,0,0|2,0,1]=4 519 B11R1.53 C[C@H](c1ccccc1OC)N TS10073 [0,1,0,0,0,0|2,0,1]=4 520 B11R1.53 c1cc(c(nc1)C#N)C(=O)N TS07303 [0,1,0,0,0,0|3,0,0]=4 521 B11R1.53 c1cc(c(nc1)C#N)C(=O)O TS40599 [0,1,0,0,0,0|2,0,0]=3 522 B11R1.53 c1cc(c(nc1)C(=O)N)C#N TS07306 [0,1,0,0,0,0|3,0,0]=4 523 B11R1.53 c1cc(c(nc1)C(=O)O)C#N TS40603 [0,1,0,0,0,0|2,0,0]=3 524 B11R1.53 c1ccc(c(c1)C#N)C(=O)Cl TS42961 [0,1,0,0,0,0|2,0,0]=3 525 B11R1.53 c1ccc(c(c1)C#N)C(=O)N TS07196 [0,1,0,0,0,0|2,0,0]=3 526 B11R1.53 c1ccc(c(c1)C#N)C(=O)O TS55301 [0,1,0,0,0,0|1,0,0]=2 527 B11R1.53 c1ccc(c(c1)C#N)[N+](=O)[O-] TS40602 [0,1,0,0,0,0|2,0,1]=4 528 B11R1.53 c1ccc(c(c1)C(=O)O)I=O TS29988 [0,1,0,0,0,0|0,0,1]=2 529 B11R1.53 c1ccc(c(c1)C(=O)O)NN TS41107 [0,1,0,0,0,0|1,0,0]=2 530 B11R1.53 c1ccc(c(c1)C(=O)O)NN TS50819 [0,1,0,0,0,0|1,0,0]=2 531 B11R1.53 c1ccc(c(c1)C(=O)O)[Hg]O TS78416 [0,1,0,0,0,0|0,0,0]=1 532 B11R1.53 c1ccc(c(c1)C=O)C(=O)O TS07648 [0,1,0,0,0,0|0,0,1]=2 533 B11R1.53 c1ccc(c(c1)C=O)[N+](=O)[O-] TS09387 [0,1,0,0,0,0|1,0,2]=4 534 B11R1.53 c1ccc(c(c1)CBr)C(=O)Br TS31288 [0,1,0,0,0,0|2,0,0]=3 535 B11R1.53 c1ccc(c(c1)CBr)C(=O)O TS44633 [0,1,0,0,0,0|1,0,0]=2 536 B11R1.53 c1ccc(c(c1)CBr)[N+](=O)[O-] TS09391 [0,1,0,0,0,0|2,0,1]=4 537 B11R1.53 c1ccc(c(c1)CCl)C(=O)Cl TS50845 [0,1,0,0,0,0|2,0,0]=3 538 B11R1.53 c1ccc(c(c1)CCl)C(=O)O TS47087 [0,1,0,0,0,0|1,0,0]=2 539 B11R1.53 c1ccc(c(c1)CCl)[N+](=O)[O-] TS13069 [0,1,0,0,0,0|2,0,1]=4 540 B11R1.53 c1ccc(c(c1)CN)[N+](=O)[O-] TS50822 [0,1,0,0,0,0|2,0,1]=4 541 B11R1.53 c1ccc(c(c1)CO)[N+](=O)[O-] TS09390 [0,1,0,0,0,0|1,0,1]=3 542 B11R1.53 c1ccc(c(c1)NN)[N+](=O)[O-] TS09397 [0,1,0,0,0,0|2,0,1]=4 543 B11R1.53 c1ccc(c(c1)NN)[N+](=O)[O-] TS10299 [0,1,0,0,0,0|2,0,1]=4 544 B11R1.53 c1ccc(c(c1)[N+](=O)[O-])SCl TS16247 [0,1,0,0,0,0|1,1,1]=4 545 B11R1.53 c1cncc(c1CO)C(=O)O TS10288 [0,1,0,0,0,0|1,0,0]=2 546 B11R1.87 CC(C)(C)c1ccccc1O TS09922 [0,1,0,0,0,0|2,0,1]=4 547 B11R1.87 CC(C)(c1ccccc1N)O TS41042 [0,1,0,0,0,0|2,0,1]=4 548 B11R1.87 CS(=O)(=O)c1ccccc1Br TS56617 [0,1,0,0,0,0|2,0,1]=4 549 B11R1.87 CS(=O)(=O)c1ccccc1Cl TS51206 [0,1,0,0,0,0|2,0,1]=4 550 B11R1.87 CS(=O)(=O)c1ccccc1N TS13014 [0,1,0,0,0,0|2,0,1]=4 551 B11R1.87 CS(=O)(=O)c1ccccc1O TS45454 [0,1,0,0,0,0|1,0,1]=3 552 B11R1.87 Cc1ccccc1S(=O)(=O)Cl TS51204 [0,1,0,0,0,0|2,0,1]=4 553 B11R1.87 Cc1ccccc1S(=O)(=O)N TS13015 [0,1,0,0,0,0|2,0,1]=4 554 B11R1.87 Cc1ccccc1S(=O)(=O)O TS65055 [0,1,0,0,0,0|2,0,0]=3 555 B11R1.87 Cc1cccnc1S(=O)(=O)O TS70678 [0,1,0,0,0,0|3,0,0]=4 556 B11R1.87 Cc1ccncc1S(=O)(=O)O TS45613 [0,1,0,0,0,0|3,0,0]=4 557 B11R1.87 Cc1cnccc1S(=O)(=O)O TS45616 [0,1,0,0,0,0|3,0,0]=4 558 B11R1.87 c1cc(c(nc1)Cl)S(=O)(=O)O TS17731 [0,1,0,0,0,0|3,0,0]=4 559 B11R1.87 c1cc(c(nc1)N)S(=O)(=O)O TS13471 [0,1,0,0,0,0|3,0,0]=4 560 B11R1.87 c1cc(c(nc1)O)S(=O)(=O)O TS13642 [0,1,0,0,0,0|2,0,0]=3 561 B11R1.87 c1cc(c(nc1)S(=O)(=O)O)N TS13467 [0,1,0,0,0,0|3,0,0]=4 562 B11R1.87 c1cc(c(nc1)S(=O)(=O)O)O TS13641 [0,1,0,0,0,0|2,0,0]=3 563 B11R1.87 c1ccc(c(c1)F)S(=O)(=O)Cl TS01021 [0,1,0,0,0,0|2,0,1]=4 564 B11R1.87 c1ccc(c(c1)F)S(=O)(=O)N TS13645 [0,1,0,0,0,0|2,0,1]=4 565 B11R1.87 c1ccc(c(c1)N)S(=O)(=O)N TS45471 [0,1,0,0,0,0|2,0,1]=4 566 B11R1.87 c1ccc(c(c1)N)S(=O)(=O)O TS45618 [0,1,0,0,0,0|2,0,0]=3 567 B11R1.87 c1ccc(c(c1)N)S(=O)(=O)[O-] TS18013 [0,1,0,0,0,0|2,0,1]=4 568 B11R1.87 c1ccc(c(c1)N)[As](=O)(O)O TS22171 [0,1,0,0,0,0|2,0,0]=3 569 B11R1.87 c1ccc(c(c1)O)P(=O)(O)O TS13426 [0,1,0,0,0,0|1,0,0]=2 570 B11R1.87 c1ccc(c(c1)O)S(=O)(=O)[O-] TS18191 [0,1,0,0,0,0|1,0,1]=3 571 B11R1.87 c1ccc(c(c1)S(=O)(=O)Cl)Br TS55153 [0,1,0,0,0,0|2,0,1]=4 572 B11R1.87 c1ccc(c(c1)S(=O)(=O)Cl)Cl TS55272 [0,1,0,0,0,0|2,0,1]=4 573 B11R1.87 c1ccc(c(c1)S(=O)(=O)Cl)I TS07724 [0,1,0,0,0,0|2,0,1]=4 574 B11R1.87 c1ccc(c(c1)S(=O)(=O)N)Br TS56746 [0,1,0,0,0,0|2,0,1]=4 575 B11R1.87 c1ccc(c(c1)S(=O)(=O)N)Cl TS00950 [0,1,0,0,0,0|2,0,1]=4 576 B11R1.87 c1ccc(c(c1)S(=O)(=O)N)I TS34503 [0,1,0,0,0,0|2,0,1]=4 577 B11R1.87 c1ccc(c(c1)S(=O)(=O)O)I TS34698 [0,1,0,0,0,0|2,0,0]=3 578 B11R1.87 c1cncc(c1Cl)S(=O)(=O)O TS17730 [0,1,0,0,0,0|3,0,0]=4 579 B11R1.87 c1cncc(c1N)S(=O)(=O)O TS13468 [0,1,0,0,0,0|3,0,0]=4 580 B11R1.87 c1cncc(c1O)S(=O)(=O)O TS13640 [0,1,0,0,0,0|2,0,0]=3 581 B11R1.156 B(c1c(cccc1Br)Cl)(O)O TS56663 [0,1,0,0,0,0|2,0,1]=4 582 B11R1.156 B(c1c(cccc1Br)F)(O)O TS49538 [0,1,0,0,0,0|2,0,1]=4 583 B11R1.156 B(c1c(cccc1C)C)(O)O TS00702 [0,1,0,0,0,0|2,0,1]=4 584 B11R1.156 B(c1c(cccc1Cl)Cl)(O)O TS08781 [0,1,0,0,0,0|2,0,1]=4 585 B11R1.156 B(c1c(cccc1Cl)F)(O)O TS55259 [0,1,0,0,0,0|2,0,1]=4 586 B11R1.156 B(c1c(cccc1F)F)(O)O TS47307 [0,1,0,0,0,0|2,0,1]=4 587 B11R1.156 CC(=O)c1c(cccc1Cl)Cl TS50844 [0,1,0,0,0,0|2,0,0]=3 588 B11R1.156 CC(=O)c1c(cccc1Cl)F TS45556 [0,1,0,0,0,0|2,0,0]=3 589 B11R1.156 CC(=O)c1c(cccc1F)F TS34647 [0,1,0,0,0,0|2,0,0]=3 590 B11R1.156 CC(=O)c1c(cccc1F)O TS41346 [0,1,0,0,0,0|1,0,0]=2 591 B11R1.156 CC(=O)c1c(cccc1O)O TS10125 [0,1,0,0,0,0|1,0,0]=2 592 B11R1.156 CC(=O)c1c(ccnc1Cl)I TS34356 [0,1,0,0,0,0|3,0,0]=4 593 B11R1.156 CC(c1c(cccc1Cl)Cl)O TS17226 [0,1,0,0,0,0|2,0,1]=4 594 B11R1.156 Cc1c(c(ncn1)C)C(=O)O TS02937 [0,1,0,0,0,0|3,0,0]=4 595 B11R1.156 Cc1cccc(c1C(=N)N)C TS40671 [0,1,0,0,0,0|3,0,0]=4 596 B11R1.156 Cc1cccc(c1C(=O)C)C TS07473 [0,1,0,0,0,0|2,0,0]=3 597 B11R1.156 Cc1cccc(c1C(=O)N)Cl TS12721 [0,1,0,0,0,0|2,0,0]=3 598 B11R1.156 Cc1cccc(c1C(=O)O)Br TS08368 [0,1,0,0,0,0|1,0,0]=2 599 B11R1.156 Cc1cccc(c1C(=O)O)C TS47324 [0,1,0,0,0,0|1,0,0]=2 600 B11R1.156 Cc1cccc(c1C(=O)O)Cl TS00931 [0,1,0,0,0,0|1,0,0]=2 601 B11R1.156 Cc1cccc(c1C(=O)O)F TS55367 [0,1,0,0,0,0|1,0,0]=2 602 B11R1.156 Cc1cccc(c1C(=O)O)N TS65371 [0,1,0,0,0,0|1,0,0]=2 603 B11R1.156 Cc1cccc(c1C(=O)O)O TS09305 [0,1,0,0,0,0|0,0,0]=1 604 B11R1.156 Cc1cccc(c1[N+](=O)[O-])Br TS65911 [0,1,0,0,0,0|2,0,1]=4 605 B11R1.156 Cc1cccc(c1[N+](=O)[O-])C TS10017 [0,1,0,0,0,0|2,0,1]=4 606 B11R1.156 Cc1cccc(c1[N+](=O)[O-])Cl TS65982 [0,1,0,0,0,0|2,0,1]=4 607 B11R1.156 Cc1cccc(c1[N+](=O)[O-])N TS70659 [0,1,0,0,0,0|2,0,1]=4 608 B11R1.156 Cc1cccc(c1[N+](=O)[O-])O TS93827 [0,1,0,0,0,0|1,0,1]=3 609 B11R1.156 Cc1ccnc(c1C(=O)O)C TS00645 [0,1,0,0,0,0|2,0,0]=3 610 B11R1.156 Cc1ccnc(c1C(=O)O)C TS15873 [0,1,0,0,0,0|2,0,0]=3 611 B11R1.156 Cc1ccnc(c1C(=O)O)N TS41117 [0,1,0,0,0,0|2,0,0]=3 612 B11R1.156 Cc1ccnc(c1[N+](=O)[O-])O TS55392 [0,1,0,0,0,0|2,0,1]=4 613 B11R1.156 Cc1cncc(c1C(=O)O)C TS65820 [0,1,0,0,0,0|2,0,0]=3 614 B11R1.156 c1c(c(c(cn1)Cl)C(=O)O)Cl TS17405 [0,1,0,0,0,0|2,0,0]=3 615 B11R1.156 c1cc(c(c(c1)Br)C(=O)Cl)Cl TS28543 [0,1,0,0,0,0|2,0,0]=3 616 B11R1.156 c1cc(c(c(c1)Br)C(=O)Cl)F TS26103 [0,1,0,0,0,0|2,0,0]=3 617 B11R1.156 c1cc(c(c(c1)Br)C(=O)O)Br TS54283 [0,1,0,0,0,0|1,0,0]=2 618 B11R1.156 c1cc(c(c(c1)Br)C(=O)O)Cl TS55141 [0,1,0,0,0,0|1,0,0]=2 619 B11R1.156 c1cc(c(c(c1)Br)C(=O)O)F TS55145 [0,1,0,0,0,0|1,0,0]=2 620 B11R1.156 c1cc(c(c(c1)Br)C(=O)O)N TS44776 [0,1,0,0,0,0|1,0,0]=2 621 B11R1.156 c1cc(c(c(c1)Br)[N+](=O)[O-])F TS08360 [0,1,0,0,0,0|2,0,1]=4 622 B11R1.156 c1cc(c(c(c1)Br)[N+](=O)[O-])N TS65909 [0,1,0,0,0,0|2,0,1]=4 623 B11R1.156 c1cc(c(c(c1)Br)[N+](=O)[O-])O TS60006 [0,1,0,0,0,0|1,0,1]=3 624 B11R1.156 c1cc(c(c(c1)Cl)C(=N)N)Cl TS24061 [0,1,0,0,0,0|3,0,0]=4 625 B11R1.156 c1cc(c(c(c1)Cl)C(=O)Cl)Cl TS20794 [0,1,0,0,0,0|2,0,0]=3 626 B11R1.156 c1cc(c(c(c1)Cl)C(=O)Cl)F TS17603 [0,1,0,0,0,0|2,0,0]=3 627 B11R1.156 c1cc(c(c(c1)Cl)C(=O)N)Cl TS16283 [0,1,0,0,0,0|2,0,0]=3 628 B11R1.156 c1cc(c(c(c1)Cl)C(=O)N)F TS45696 [0,1,0,0,0,0|2,0,0]=3 629 B11R1.156 c1cc(c(c(c1)Cl)C(=O)O)Cl TS47298 [0,1,0,0,0,0|1,0,0]=2 630 B11R1.156 c1cc(c(c(c1)Cl)C(=O)O)F TS45862 [0,1,0,0,0,0|1,0,0]=2 631 B11R1.156 c1cc(c(c(c1)Cl)C(=O)O)N TS00802 [0,1,0,0,0,0|1,0,0]=2 632 B11R1.156 c1cc(c(c(c1)Cl)C(=O)O)O TS01777 [0,1,0,0,0,0|0,0,0]=1 633 B11R1.156 c1cc(c(c(c1)Cl)N(=O)=O)Cl TS59886 [0,1,0,0,0,0|2,0,1]=4 634 B11R1.156 c1cc(c(c(c1)Cl)N(=O)=O)F TS55257 [0,1,0,0,0,0|2,0,1]=4 635 B11R1.156 c1cc(c(c(c1)Cl)[N+](=O)[O-])N TS65979 [0,1,0,0,0,0|2,0,1]=4 636 B11R1.156 c1cc(c(c(c1)F)C(=N)N)F TS17574 [0,1,0,0,0,0|3,0,0]=4 637 B11R1.156 c1cc(c(c(c1)F)C(=O)Cl)F TS34654 [0,1,0,0,0,0|2,0,0]=3 638 B11R1.156 c1cc(c(c(c1)F)C(=O)N)F TS41746 [0,1,0,0,0,0|2,0,0]=3 639 B11R1.156 c1cc(c(c(c1)F)C(=O)N)N TS10395 [0,1,0,0,0,0|2,0,0]=3 640 B11R1.156 c1cc(c(c(c1)F)C(=O)O)F TS34651 [0,1,0,0,0,0|1,0,0]=2 641 B11R1.156 c1cc(c(c(c1)F)C(=O)O)N TS08956 [0,1,0,0,0,0|1,0,0]=2 642 B11R1.156 c1cc(c(c(c1)F)C(=O)O)O TS55362 [0,1,0,0,0,0|0,0,0]=1 643 B11R1.156 c1cc(c(c(c1)F)C(=O)[O-])F TS14504 [0,1,0,0,0,0|1,0,1]=3 644 B11R1.156 c1cc(c(c(c1)F)N(=O)=O)F TS47305 [0,1,0,0,0,0|2,0,1]=4 645 B11R1.156 c1cc(c(c(c1)F)[N+](=O)[O-])N TS70574 [0,1,0,0,0,0|2,0,1]=4 646 B11R1.156 c1cc(c(c(c1)F)[N+](=O)[O-])O TS70575 [0,1,0,0,0,0|1,0,1]=3 647 B11R1.156 c1cc(c(c(c1)I)C(=O)Cl)F TS65423 [0,1,0,0,0,0|2,0,0]=3 648 B11R1.156 c1cc(c(c(c1)I)C(=O)O)F TS73457 [0,1,0,0,0,0|1,0,0]=2 649 B11R1.156 c1cc(c(c(c1)O)C(=O)N)O TS41257 [0,1,0,0,0,0|1,0,0]=2 650 B11R1.156 c1cc(c(c(c1)O)C(=O)O)O TS10390 [0,1,0,0,0,0|0,0,0]=1 651 B11R1.156 c1cc(c(c(c1)O)[N+](=O)[O-])O TS10555 [0,1,0,0,0,0|1,0,1]=3 652 B11R1.156 c1cnc(c(c1Cl)C(=O)O)Cl TS47215 [0,1,0,0,0,0|2,0,0]=3 653 B11R1.156 c1cnc(c(c1Cl)[N+](=O)[O-])O TS03045 [0,1,0,0,0,0|2,0,1]=4 654 B11R1.156 c1cnc(c(c1I)C(=O)O)Cl TS34657 [0,1,0,0,0,0|2,0,0]=3 655 B11R1.156 c1cnc(c(c1I)C(=O)O)F TS08419 [0,1,0,0,0,0|2,0,0]=3 656 B11R1.156 c1cnc(c(c1N)C(=O)O)Cl TS90500 [0,1,0,0,0,0|2,0,0]=3 657 B11R1.156 c1cnc(c(c1N)[N+](=O)[O-])O TS70893 [0,1,0,0,0,0|2,0,1]=4 658 B11R1.156 c1cnc(c(c1O)[N+](=O)[O-])Cl TS45857 [0,1,0,0,0,0|2,0,1]=4 659 B11R1.156 c1cnc(c(c1O)[N+](=O)[O-])O TS47223 [0,1,0,0,0,0|2,0,1]=4 660 B11R1.156 c1nc(c(c(n1)Cl)C(=O)O)Cl TS85381 [0,1,0,0,0,0|3,0,0]=4 661 B11R1.159 B(c1cccc(c1C)C)(O)O TS47168 [0,1,0,0,0,0|2,0,1]=4 662 B11R1.159 B(c1cccc(c1C)Cl)(O)O TS45218 [0,1,0,0,0,0|2,0,1]=4 663 B11R1.159 B(c1cccc(c1C)F)(O)O TS08022 [0,1,0,0,0,0|2,0,1]=4 664 B11R1.159 B(c1cccc(c1Cl)Br)(O)O TS56662 [0,1,0,0,0,0|2,0,1]=4 665 B11R1.159 B(c1cccc(c1Cl)Cl)(O)O TS85480 [0,1,0,0,0,0|2,0,1]=4 666 B11R1.159 B(c1cccc(c1Cl)F)(O)O TS45850 [0,1,0,0,0,0|2,0,1]=4 667 B11R1.159 B(c1cccc(c1F)Br)(O)O TS49535 [0,1,0,0,0,0|2,0,1]=4 668 B11R1.159 B(c1cccc(c1F)C)(O)O TS46400 [0,1,0,0,0,0|2,0,1]=4 669 B11R1.159 B(c1cccc(c1F)Cl)(O)O TS46453 [0,1,0,0,0,0|2,0,1]=4 670 B11R1.159 B(c1cccc(c1F)F)(O)O TS93150 [0,1,0,0,0,0|2,0,1]=4 671 B11R1.159 B(c1cccc(c1F)I)(O)O TS30226 [0,1,0,0,0,0|2,0,1]=4 672 B11R1.159 B(c1cccc(c1O)C)(O)O TS10105 [0,1,0,0,0,0|1,0,1]=3 673 B11R1.159 B(c1cccc(c1O)F)(O)O TS41563 [0,1,0,0,0,0|1,0,1]=3 674 B11R1.159 CC(=O)c1cccc(c1Cl)Cl TS50849 [0,1,0,0,0,0|2,0,0]=3 675 B11R1.159 CC(=O)c1cccc(c1F)Br TS08677 [0,1,0,0,0,0|2,0,0]=3 676 B11R1.159 CC(=O)c1cccc(c1F)F TS10653 [0,1,0,0,0,0|2,0,0]=3 677 B11R1.159 CC(=O)c1cccc(c1N)O TS41015 [0,1,0,0,0,0|2,0,0]=3 678 B11R1.159 CC(=O)c1cccc(c1O)Cl TS46713 [0,1,0,0,0,0|1,0,0]=2 679 B11R1.159 CC(=O)c1cccc(c1O)N TS94037 [0,1,0,0,0,0|1,0,0]=2 680 B11R1.159 CC(=O)c1cccc(c1O)N TS94220 [0,1,0,0,0,0|1,0,0]=2 681 B11R1.159 CC(=O)c1cccc(c1O)O TS46700 [0,1,0,0,0,0|1,0,0]=2 682 B11R1.159 CC(=O)c1ccnc(c1N)Cl TS46708 [0,1,0,0,0,0|3,0,0]=4 683 B11R1.159 CC(C)c1cccc(c1O)O TS41150 [0,1,0,0,0,0|2,0,1]=4 684 B11R1.159 Cc1c(cccc1Br)C(=O)O TS65906 [0,1,0,0,0,0|1,0,0]=2 685 B11R1.159 Cc1c(cccc1Br)[N+](=O)[O-] TS08376 [0,1,0,0,0,0|2,0,1]=4 686 B11R1.159 Cc1c(cccc1Cl)C(=O)O TS12927 [0,1,0,0,0,0|1,0,0]=2 687 B11R1.159 Cc1c(cccc1Cl)[N+](=O)[O-] TS13076 [0,1,0,0,0,0|2,0,1]=4 688 B11R1.159 Cc1c(cccc1F)C(=O)O TS70571 [0,1,0,0,0,0|1,0,0]=2 689 B11R1.159 Cc1c(cccc1F)[N+](=O)[O-] TS65427 [0,1,0,0,0,0|2,0,1]=4 690 B11R1.159 Cc1c(cccc1I)C(=O)O TS29741 [0,1,0,0,0,0|1,0,0]=2 691 B11R1.159 Cc1c(cccc1N)C(=O)O TS22768 [0,1,0,0,0,0|1,0,0]=2 692 B11R1.159 Cc1c(cccc1O)C(=O)O TS02787 [0,1,0,0,0,0|1,0,0]=2 693 B11R1.159 Cc1c(cccc1O)[N+](=O)[O-] TS01061 [0,1,0,0,0,0|2,0,1]=4 694 B11R1.159 Cc1c(cccc1[N+](=O)[O-])N TS01111 [0,1,0,0,0,0|2,0,1]=4 695 B11R1.159 Cc1cccc(c1Br)C(=O)O TS08307 [0,1,0,0,0,0|1,0,0]=2 696 B11R1.159 Cc1cccc(c1Br)[N+](=O)[O-] TS08313 [0,1,0,0,0,0|2,0,1]=4 697 B11R1.159 Cc1cccc(c1C)C(=O)C TS07466 [0,1,0,0,0,0|2,0,0]=3 698 B11R1.159 Cc1cccc(c1C)C(=O)Cl TS12620 [0,1,0,0,0,0|2,0,0]=3 699 B11R1.159 Cc1cccc(c1C)C(=O)N TS40746 [0,1,0,0,0,0|2,0,0]=3 700 B11R1.159 Cc1cccc(c1C)C(=O)O TS47166 [0,1,0,0,0,0|1,0,0]=2 701 B11R1.159 Cc1cccc(c1C)C(C)O TS09918 [0,1,0,0,0,0|2,0,1]=4 702 B11R1.159 Cc1cccc(c1C)[N+](=O)[O-] TS02867 [0,1,0,0,0,0|2,0,1]=4 703 B11R1.159 Cc1cccc(c1Cl)C(=O)O TS55200 [0,1,0,0,0,0|1,0,0]=2 704 B11R1.159 Cc1cccc(c1Cl)[N+](=O)[O-] TS09268 [0,1,0,0,0,0|2,0,1]=4 705 B11R1.159 Cc1cccc(c1F)C(=O)N TS10309 [0,1,0,0,0,0|2,0,0]=3 706 B11R1.159 Cc1cccc(c1F)C(=O)O TS08400 [0,1,0,0,0,0|1,0,0]=2 707 B11R1.159 Cc1cccc(c1F)[N+](=O)[O-] TS08408 [0,1,0,0,0,0|2,0,1]=4 708 B11R1.159 Cc1cccc(c1I)C(=O)O TS29735 [0,1,0,0,0,0|1,0,0]=2 709 B11R1.159 Cc1cccc(c1N)C(=O)O TS47376 [0,1,0,0,0,0|1,0,0]=2 710 B11R1.159 Cc1cccc(c1N)[N+](=O)[O-] TS59973 [0,1,0,0,0,0|2,0,1]=4 711 B11R1.159 Cc1cccc(c1O)C(=O)O TS10143 [0,1,0,0,0,0|0,0,0]=1 712 B11R1.159 Cc1cccc(c1O)C(=O)[O-] TS13445 [0,1,0,0,0,0|0,0,1]=2 713 B11R1.159 Cc1cccc(c1O)C(C)C TS40904 [0,1,0,0,0,0|2,0,1]=4 714 B11R1.159 Cc1cccc(c1O)[N+](=O)[O-] TS01280 [0,1,0,0,0,0|1,0,1]=3 715 B11R1.159 Cn1cccc(c1=O)C(=O)O TS86053 [0,1,0,0,0,0|1,0,1]=3 716 B11R1.159 c1[nH]c(=O)c(c(n1)C(=O)O)Cl TS45855 [0,1,0,0,0,0|3,0,0]=4 717 B11R1.159 c1c(c(c(cn1)Br)N)C(=O)O TS22160 [0,1,0,0,0,0|2,0,0]=3 718 B11R1.159 c1c(c(c(cn1)Cl)Cl)C(=O)O TS51385 [0,1,0,0,0,0|2,0,0]=3 719 B11R1.159 c1c(c(c(cn1)Cl)N)C(=O)O TS13257 [0,1,0,0,0,0|2,0,0]=3 720 B11R1.159 c1cc(c(c(c1)Br)Cl)C(=O)O TS25786 [0,1,0,0,0,0|1,0,0]=2 721 B11R1.159 c1cc(c(c(c1)Br)Cl)[N+](=O)[O-] TS46912 [0,1,0,0,0,0|2,0,1]=4 722 B11R1.159 c1cc(c(c(c1)Br)F)C(=O)O TS16864 [0,1,0,0,0,0|1,0,0]=2 723 B11R1.159 c1cc(c(c(c1)Br)F)N(=O)=O TS16865 [0,1,0,0,0,0|2,0,1]=4 724 B11R1.159 c1cc(c(c(c1)Br)N)C(=O)O TS08283 [0,1,0,0,0,0|1,0,0]=2 725 B11R1.159 c1cc(c(c(c1)Br)N)[N+](=O)[O-] TS08372 [0,1,0,0,0,0|2,0,1]=4 726 B11R1.159 c1cc(c(c(c1)Br)O)C(=O)O TS65903 [0,1,0,0,0,0|0,0,0]=1 727 B11R1.159 c1cc(c(c(c1)Br)O)[N+](=O)[O-] TS08374 [0,1,0,0,0,0|1,0,1]=3 728 B11R1.159 c1cc(c(c(c1)Cl)Cl)C(=N)N TS24064 [0,1,0,0,0,0|3,0,0]=4 729 B11R1.159 c1cc(c(c(c1)Cl)Cl)C(=O)Cl TS07690 [0,1,0,0,0,0|2,0,0]=3 730 B11R1.159 c1cc(c(c(c1)Cl)Cl)C(=O)N TS16281 [0,1,0,0,0,0|2,0,0]=3 731 B11R1.159 c1cc(c(c(c1)Cl)Cl)C(=O)O TS17215 [0,1,0,0,0,0|1,0,0]=2 732 B11R1.159 c1cc(c(c(c1)Cl)Cl)C(=S)N TS20103 [0,1,0,0,0,0|2,1,0]=4 733 B11R1.159 c1cc(c(c(c1)Cl)Cl)N(=O)=O TS51387 [0,1,0,0,0,0|2,0,1]=4 734 B11R1.159 c1cc(c(c(c1)Cl)F)C(=O)Cl TS17599 [0,1,0,0,0,0|2,0,0]=3 735 B11R1.159 c1cc(c(c(c1)Cl)F)C(=O)F TS13935 [0,1,0,0,0,0|2,0,0]=3 736 B11R1.159 c1cc(c(c(c1)Cl)F)C(=O)N TS13405 [0,1,0,0,0,0|2,0,0]=3 737 B11R1.159 c1cc(c(c(c1)Cl)F)C(=O)O TS55323 [0,1,0,0,0,0|1,0,0]=2 738 B11R1.159 c1cc(c(c(c1)Cl)F)N(=O)=O TS65971 [0,1,0,0,0,0|2,0,1]=4 739 B11R1.159 c1cc(c(c(c1)Cl)N)C(=O)O TS02713 [0,1,0,0,0,0|1,0,0]=2 740 B11R1.159 c1cc(c(c(c1)Cl)N)[N+](=O)[O-] TS00939 [0,1,0,0,0,0|2,0,1]=4 741 B11R1.159 c1cc(c(c(c1)Cl)O)C(=O)O TS13252 [0,1,0,0,0,0|0,0,0]=1 742 B11R1.159 c1cc(c(c(c1)Cl)O)[N+](=O)[O-] TS65408 [0,1,0,0,0,0|1,0,1]=3 743 B11R1.159 c1cc(c(c(c1)F)Br)C(=O)O TS08298 [0,1,0,0,0,0|1,0,0]=2 744 B11R1.159 c1cc(c(c(c1)F)Br)N(=O)=O TS08299 [0,1,0,0,0,0|2,0,1]=4 745 B11R1.159 c1cc(c(c(c1)F)Cl)C(=O)O TS08825 [0,1,0,0,0,0|1,0,0]=2 746 B11R1.159 c1cc(c(c(c1)F)Cl)N(=O)=O TS55191 [0,1,0,0,0,0|2,0,1]=4 747 B11R1.159 c1cc(c(c(c1)F)F)C(=O)Cl TS13934 [0,1,0,0,0,0|2,0,0]=3 748 B11R1.159 c1cc(c(c(c1)F)F)C(=O)N TS41747 [0,1,0,0,0,0|2,0,0]=3 749 B11R1.159 c1cc(c(c(c1)F)F)C(=O)O TS41848 [0,1,0,0,0,0|1,0,0]=2 750 B11R1.159 c1cc(c(c(c1)F)F)N(=O)=O TS00558 [0,1,0,0,0,0|2,0,1]=4 751 B11R1.159 c1cc(c(c(c1)F)I)C(=O)O TS70565 [0,1,0,0,0,0|1,0,0]=2 752 B11R1.159 c1cc(c(c(c1)F)I)N(=O)=O TS60297 [0,1,0,0,0,0|2,0,1]=4 753 B11R1.159 c1cc(c(c(c1)F)N)C(=O)O TS47360 [0,1,0,0,0,0|1,0,0]=2 754 B11R1.159 c1cc(c(c(c1)F)N)[N+](=O)[O-] TS55371 [0,1,0,0,0,0|2,0,1]=4 755 B11R1.159 c1cc(c(c(c1)F)O)C(=O)O TS59690 [0,1,0,0,0,0|0,0,0]=1 756 B11R1.159 c1cc(c(c(c1)F)O)[N+](=O)[O-] TS55373 [0,1,0,0,0,0|1,0,1]=3 757 B11R1.159 c1cc(c(c(c1)I)F)C(=O)O TS09287 [0,1,0,0,0,0|1,0,0]=2 758 B11R1.159 c1cc(c(c(c1)I)N)C(=O)O TS68678 [0,1,0,0,0,0|1,0,0]=2 759 B11R1.159 c1cc(c(c(c1)N)Cl)C(=O)O TS02627 [0,1,0,0,0,0|1,0,0]=2 760 B11R1.159 c1cc(c(c(c1)N)F)C(=O)O TS08861 [0,1,0,0,0,0|1,0,0]=2 761 B11R1.159 c1cc(c(c(c1)N)N)C(=O)N TS65011 [0,1,0,0,0,0|2,0,0]=3 762 B11R1.159 c1cc(c(c(c1)N)O)C(=O)O TS39705 [0,1,0,0,0,0|0,0,0]=1 763 B11R1.159 c1cc(c(c(c1)O)Br)[N+](=O)[O-] TS22760 [0,1,0,0,0,0|2,0,1]=4 764 B11R1.159 c1cc(c(c(c1)O)Cl)[N+](=O)[O-] TS55207 [0,1,0,0,0,0|2,0,1]=4 765 B11R1.159 c1cc(c(c(c1)O)F)[N+](=O)[O-] TS08406 [0,1,0,0,0,0|2,0,1]=4 766 B11R1.159 c1cc(c(c(c1)O)N)C(=O)O TS50976 [0,1,0,0,0,0|1,0,0]=2 767 B11R1.159 c1cc(c(c(c1)O)N)C(=O)O TS65023 [0,1,0,0,0,0|1,0,0]=2 768 B11R1.159 c1cc(c(c(c1)O)N)[N+](=O)[O-] TS00725 [0,1,0,0,0,0|2,0,1]=4 769 B11R1.159 c1cc(c(c(c1)O)O)C(=O)O TS47161 [0,1,0,0,0,0|0,0,0]=1 770 B11R1.159 c1cc(c(c(c1)[N+](=O)[O-])N)N TS01795 [0,1,0,0,0,0|2,0,1]=4 771 B11R1.159 c1cnc(c(c1C(=O)N)N)Cl TS13081 [0,1,0,0,0,0|3,0,0]=4 772 B11R1.159 c1cnc(c(c1C(=O)O)Cl)Br TS85394 [0,1,0,0,0,0|2,0,0]=3 773 B11R1.159 c1cnc(c(c1C(=O)O)Cl)Cl TS47152 [0,1,0,0,0,0|2,0,0]=3 774 B11R1.159 c1cnc(c(c1C(=O)O)F)Cl TS65040 [0,1,0,0,0,0|2,0,0]=3 775 B11R1.159 c1cnc(c(c1C(=O)O)F)F TS11097 [0,1,0,0,0,0|2,0,0]=3 776 B11R1.159 c1cnc(c(c1C(=O)O)F)I TS30363 [0,1,0,0,0,0|2,0,0]=3 777 B11R1.159 c1cnc(c(c1C(=O)O)I)Br TS77711 [0,1,0,0,0,0|2,0,0]=3 778 B11R1.159 c1cnc(c(c1C(=O)O)O)Cl TS45690 [0,1,0,0,0,0|1,0,0]=2 779 B11R1.159 c1cnc(c(c1N)Cl)C(=O)O TS13260 [0,1,0,0,0,0|2,0,0]=3 780 B11R1.166 B(c1ccc(cc1C)Br)(O)O TS94834 [0,1,0,0,0,0|2,0,1]=4 781 B11R1.166 B(c1ccc(cc1C)C)(O)O TS59922 [0,1,0,0,0,0|2,0,1]=4 782 B11R1.166 B(c1ccc(cc1C)Cl)(O)O TS71021 [0,1,0,0,0,0|2,0,1]=4 783 B11R1.166 B(c1ccc(cc1C)F)(O)O TS01122 [0,1,0,0,0,0|2,0,1]=4 784 B11R1.166 B(c1ccc(cc1C)O)(O)O TS03104 [0,1,0,0,0,0|2,0,1]=4 785 B11R1.166 B(c1ccc(cc1Cl)C)(O)O TS46381 [0,1,0,0,0,0|2,0,1]=4 786 B11R1.166 B(c1ccc(cc1Cl)F)(O)O TS55215 [0,1,0,0,0,0|2,0,1]=4 787 B11R1.166 B(c1ccc(cc1F)Br)(O)O TS16939 [0,1,0,0,0,0|2,0,1]=4 788 B11R1.166 B(c1ccc(cc1F)C)(O)O TS55343 [0,1,0,0,0,0|2,0,1]=4 789 B11R1.166 B(c1ccc(cc1F)Cl)(O)O TS03039 [0,1,0,0,0,0|2,0,1]=4 790 B11R1.166 B(c1ccc(cc1F)F)(O)O TS93311 [0,1,0,0,0,0|2,0,1]=4 791 B11R1.166 B(c1ccc(cc1F)I)(O)O TS08420 [0,1,0,0,0,0|2,0,1]=4 792 B11R1.166 B(c1ccc(cc1O)C)(O)O TS85931 [0,1,0,0,0,0|1,0,1]=3 793 B11R1.166 B(c1ccc(cc1O)F)(O)O TS07662 [0,1,0,0,0,0|1,0,1]=3 794 B11R1.166 CC(=O)c1ccc(cc1Br)F TS55105 [0,1,0,0,0,0|2,0,0]=3 795 B11R1.166 CC(=O)c1ccc(cc1Cl)Br TS53520 [0,1,0,0,0,0|2,0,0]=3 796 B11R1.166 CC(=O)c1ccc(cc1Cl)Cl TS47210 [0,1,0,0,0,0|2,0,0]=3 797 B11R1.166 CC(=O)c1ccc(cc1Cl)F TS09270 [0,1,0,0,0,0|2,0,0]=3 798 B11R1.166 CC(=O)c1ccc(cc1Cl)O TS16676 [0,1,0,0,0,0|2,0,0]=3 799 B11R1.166 CC(=O)c1ccc(cc1F)Br TS29433 [0,1,0,0,0,0|2,0,0]=3 800 B11R1.166 CC(=O)c1ccc(cc1F)Cl TS09000 [0,1,0,0,0,0|2,0,0]=3 801 B11R1.166 CC(=O)c1ccc(cc1F)F TS00626 [0,1,0,0,0,0|2,0,0]=3 802 B11R1.166 CC(=O)c1ccc(cc1F)N TS41259 [0,1,0,0,0,0|2,0,0]=3 803 B11R1.166 CC(=O)c1ccc(cc1F)O TS41347 [0,1,0,0,0,0|2,0,0]=3 804 B11R1.166 CC(=O)c1ccc(cc1N)O TS41016 [0,1,0,0,0,0|2,0,0]=3 805 B11R1.166 CC(=O)c1ccc(cc1O)Cl TS12914 [0,1,0,0,0,0|1,0,0]=2 806 B11R1.166 CC(=O)c1ccc(cc1O)F TS09696 [0,1,0,0,0,0|1,0,0]=2 807 B11R1.166 CC(=O)c1ccc(cc1O)N TS41012 [0,1,0,0,0,0|1,0,0]=2 808 B11R1.166 CC(=O)c1ccc(cc1O)O TS47228 [0,1,0,0,0,0|1,0,0]=2 809 B11R1.166 CC(c1ccc(cc1Cl)Cl)O TS51231 [0,1,0,0,0,0|2,0,1]=4 810 B11R1.166 CC(c1ccc(cc1Cl)F)O TS13594 [0,1,0,0,0,0|2,0,1]=4 811 B11R1.166 Cc1c(ccc(=O)[nH]1)C(=O)C TS10037 [0,1,0,0,0,0|3,0,0]=4 812 B11R1.166 Cc1c(ccc(n1)F)C(=O)O TS55466 [0,1,0,0,0,0|2,0,0]=3 813 B11R1.166 Cc1c(cnc(n1)C)C(=O)O TS22992 [0,1,0,0,0,0|3,0,0]=4 814 B11R1.166 Cc1c(cnc(n1)N)C(=O)O TS10294 [0,1,0,0,0,0|3,0,0]=4 815 B11R1.166 Cc1cc(c(cn1)C(=O)O)Cl TS86738 [0,1,0,0,0,0|2,0,0]=3 816 B11R1.166 Cc1cc(c(cn1)C(=O)O)N TS86777 [0,1,0,0,0,0|2,0,0]=3 817 B11R1.166 Cc1cc(c(cn1)C(=O)O)O TS71160 [0,1,0,0,0,0|1,0,0]=2 818 B11R1.166 Cc1cc(c(nc1)C(=O)O)F TS90560 [0,1,0,0,0,0|2,0,0]=3 819 B11R1.166 Cc1cc(ccc1C(=O)C)Cl TS12615 [0,1,0,0,0,0|2,0,0]=3 820 B11R1.166 Cc1cc(ccc1C(=O)C)F TS09701 [0,1,0,0,0,0|2,0,0]=3 821 B11R1.166 Cc1cc(ccc1C(=O)C)O TS71153 [0,1,0,0,0,0|2,0,0]=3 822 B11R1.166 Cc1cc(ccc1C(=O)Cl)F TS45557 [0,1,0,0,0,0|2,0,0]=3 823 B11R1.166 Cc1cc(ccc1C(=O)O)Br TS70960 [0,1,0,0,0,0|1,0,0]=2 824 B11R1.166 Cc1cc(ccc1C(=O)O)Cl TS12928 [0,1,0,0,0,0|1,0,0]=2 825 B11R1.166 Cc1cc(ccc1C(=O)O)F TS09702 [0,1,0,0,0,0|1,0,0]=2 826 B11R1.166 Cc1cc(ccc1C(=O)O)N TS02967 [0,1,0,0,0,0|1,0,0]=2 827 B11R1.166 Cc1cc(ccc1C(=O)O)O TS32970 [0,1,0,0,0,0|1,0,0]=2 828 B11R1.166 Cc1cc(ccc1[N+](=O)[O-])Br TS16764 [0,1,0,0,0,0|2,0,1]=4 829 B11R1.166 Cc1cc(ccc1[N+](=O)[O-])Cl TS03259 [0,1,0,0,0,0|2,0,1]=4 830 B11R1.166 Cc1cc(ccc1[N+](=O)[O-])F TS93803 [0,1,0,0,0,0|2,0,1]=4 831 B11R1.166 Cc1cc(ccc1[N+](=O)[O-])I TS68681 [0,1,0,0,0,0|2,0,1]=4 832 B11R1.166 Cc1cc(ccc1[N+](=O)[O-])N TS02830 [0,1,0,0,0,0|2,0,1]=4 833 B11R1.166 Cc1cc(ccc1[N+](=O)[O-])O TS39715 [0,1,0,0,0,0|2,0,1]=4 834 B11R1.166 Cc1cc(cnc1C(=O)O)Br TS16975 [0,1,0,0,0,0|2,0,0]=3 835 B11R1.166 Cc1cc(cnc1C(=O)O)Cl TS03270 [0,1,0,0,0,0|2,0,0]=3 836 B11R1.166 Cc1cc(ncc1C(=O)O)C TS10035 [0,1,0,0,0,0|2,0,0]=3 837 B11R1.166 Cc1cc(ncc1C(=O)O)N TS41121 [0,1,0,0,0,0|2,0,0]=3 838 B11R1.166 Cc1ccc(c(=S)[nH]1)C(=O)C TS12412 [0,1,0,0,0,0|2,1,0]=4 839 B11R1.166 Cc1ccc(c(c1)Br)C(=O)O TS08332 [0,1,0,0,0,0|1,0,0]=2 840 B11R1.166 Cc1ccc(c(c1)C)C(=O)C TS07457 [0,1,0,0,0,0|2,0,0]=3 841 B11R1.166 Cc1ccc(c(c1)C)C(=O)Cl TS02130 [0,1,0,0,0,0|2,0,0]=3 842 B11R1.166 Cc1ccc(c(c1)C)C(=O)O TS40844 [0,1,0,0,0,0|1,0,0]=2 843 B11R1.166 Cc1ccc(c(c1)C)C(C)O TS40893 [0,1,0,0,0,0|2,0,1]=4 844 B11R1.166 Cc1ccc(c(c1)C)[N+](=O)[O-] TS41006 [0,1,0,0,0,0|2,0,1]=4 845 B11R1.166 Cc1ccc(c(c1)Cl)C(=O)O TS09277 [0,1,0,0,0,0|1,0,0]=2 846 B11R1.166 Cc1ccc(c(c1)Cl)[N+](=O)[O-] TS60350 [0,1,0,0,0,0|2,0,1]=4 847 B11R1.166 Cc1ccc(c(c1)F)C(=O)O TS55341 [0,1,0,0,0,0|1,0,0]=2 848 B11R1.166 Cc1ccc(c(c1)F)[N+](=O)[O-] TS70581 [0,1,0,0,0,0|2,0,1]=4 849 B11R1.166 Cc1ccc(c(c1)I)[N+](=O)[O-] TS39443 [0,1,0,0,0,0|2,0,1]=4 850 B11R1.166 Cc1ccc(c(c1)N)C(=O)N TS39258 [0,1,0,0,0,0|2,0,0]=3 851 B11R1.166 Cc1ccc(c(c1)N)C(=O)O TS47412 [0,1,0,0,0,0|1,0,0]=2 852 B11R1.166 Cc1ccc(c(c1)N)[N+](=O)[O-] TS65471 [0,1,0,0,0,0|2,0,1]=4 853 B11R1.166 Cc1ccc(c(c1)O)C(=O)C TS40863 [0,1,0,0,0,0|1,0,0]=2 854 B11R1.166 Cc1ccc(c(c1)O)C(=O)N TS40995 [0,1,0,0,0,0|1,0,0]=2 855 B11R1.166 Cc1ccc(c(c1)O)C(=O)O TS39668 [0,1,0,0,0,0|0,0,0]=1 856 B11R1.166 Cc1ccc(c(c1)O)C(C)C TS09913 [0,1,0,0,0,0|2,0,1]=4 857 B11R1.166 Cc1ccc(c(c1)O)C(C)C TS73186 [0,1,0,0,0,0|2,0,1]=4 858 B11R1.166 Cc1ccc(c(n1)C)C(=O)O TS40991 [0,1,0,0,0,0|2,0,0]=3 859 B11R1.166 Cc1ccc(c(n1)Cl)C(=O)N TS45243 [0,1,0,0,0,0|3,0,0]=4 860 B11R1.166 Cc1ccc(c(n1)Cl)C(=O)O TS09664 [0,1,0,0,0,0|2,0,0]=3 861 B11R1.166 Cc1ccc(c(n1)N)C(=O)O TS91434 [0,1,0,0,0,0|2,0,0]=3 862 B11R1.166 Cc1ccc(c(n1)O)C(=O)O TS01058 [0,1,0,0,0,0|1,0,0]=2 863 B11R1.166 Cc1ccc(c(n1)O)[N+](=O)[O-] TS55627 [0,1,0,0,0,0|2,0,1]=4 864 B11R1.166 c1c(c(cnc1Cl)C(=O)N)Cl TS17219 [0,1,0,0,0,0|3,0,0]=4 865 B11R1.166 c1c(c(cnc1Cl)C(=O)O)Cl TS02915 [0,1,0,0,0,0|2,0,0]=3 866 B11R1.166 c1c(c(cnc1Cl)C(=O)O)N TS86044 [0,1,0,0,0,0|2,0,0]=3 867 B11R1.166 c1c(c(cnc1F)C(=O)O)F TS02920 [0,1,0,0,0,0|2,0,0]=3 868 B11R1.166 c1c(c(cnc1F)C(=O)O)N TS87893 [0,1,0,0,0,0|2,0,0]=3 869 B11R1.166 c1c(c(cnc1O)C(=O)O)N TS41331 [0,1,0,0,0,0|2,0,0]=3 870 B11R1.166 c1c(c(cnc1O)C(=O)O)O TS10557 [0,1,0,0,0,0|1,0,0]=2 871 B11R1.166 c1c(c(nc(=O)[nH]1)N)C(=O)O TS59708 [0,1,0,0,0,0|3,0,0]=4 872 B11R1.166 c1c(c(nc(n1)Cl)Cl)C(=O)O TS47200 [0,1,0,0,0,0|3,0,0]=4 873 B11R1.166 c1c(c(nc(n1)S)O)C(=O)O TS13128 [0,1,0,0,0,0|2,0,0]=3 874 B11R1.166 c1c(cnc(c1Br)C(=O)O)Br TS02579 [0,1,0,0,0,0|2,0,0]=3 875 B11R1.166 c1c(cnc(c1Cl)C(=O)O)Cl TS65780 [0,1,0,0,0,0|2,0,0]=3 876 B11R1.166 c1c(cnc(c1F)C(=O)O)Br TS86981 [0,1,0,0,0,0|2,0,0]=3 877 B11R1.166 c1c(cnc(c1F)C(=O)O)F TS02590 [0,1,0,0,0,0|2,0,0]=3 878 B11R1.166 c1c(cnc(c1N)C(=O)N)Br TS90046 [0,1,0,0,0,0|3,0,0]=4 879 B11R1.166 c1c(cnc(c1N)C(=O)N)Cl TS13085 [0,1,0,0,0,0|3,0,0]=4 880 B11R1.166 c1c(cnc(c1N)C(=O)O)Br TS89301 [0,1,0,0,0,0|2,0,0]=3 881 B11R1.166 c1c(cnc(c1N)C(=O)O)Cl TS86310 [0,1,0,0,0,0|2,0,0]=3 882 B11R1.166 c1c(cnc(c1N)C(=O)O)Cl TS89423 [0,1,0,0,0,0|2,0,0]=3 883 B11R1.166 c1c(nc(c(n1)C(=O)O)Cl)Cl TS90418 [0,1,0,0,0,0|3,0,0]=4 884 B11R1.166 c1cc(c(cc1Br)Br)C(=O)O TS22987 [0,1,0,0,0,0|1,0,0]=2 885 B11R1.166 c1cc(c(cc1Br)Cl)C(=O)O TS25788 [0,1,0,0,0,0|1,0,0]=2 886 B11R1.166 c1cc(c(cc1Br)F)C(=N)N TS28515 [0,1,0,0,0,0|3,0,0]=4 887 B11R1.166 c1cc(c(cc1Br)F)C(=O)Cl TS26102 [0,1,0,0,0,0|2,0,0]=3 888 B11R1.166 c1cc(c(cc1Br)F)C(=O)O TS16941 [0,1,0,0,0,0|1,0,0]=2 889 B11R1.166 c1cc(c(cc1Br)I)C(=O)O TS77656 [0,1,0,0,0,0|1,0,0]=2 890 B11R1.166 c1cc(c(cc1Br)N)C(=O)O TS47390 [0,1,0,0,0,0|1,0,0]=2 891 B11R1.166 c1cc(c(cc1Br)O)C(=O)O TS70955 [0,1,0,0,0,0|0,0,0]=1 892 B11R1.166 c1cc(c(cc1Br)O)[N+](=O)[O-] TS71436 [0,1,0,0,0,0|1,0,1]=3 893 B11R1.166 c1cc(c(cc1Br)S)C(=O)O TS25338 [0,1,0,0,0,0|0,1,0]=2 894 B11R1.166 c1cc(c(cc1Cl)Br)C(=O)O TS55098 [0,1,0,0,0,0|1,0,0]=2 895 B11R1.166 c1cc(c(cc1Cl)Br)[N+](=O)[O-] TS55096 [0,1,0,0,0,0|2,0,1]=4 896 B11R1.166 c1cc(c(cc1Cl)Cl)C(=N)N TS24062 [0,1,0,0,0,0|3,0,0]=4 897 B11R1.166 c1cc(c(cc1Cl)Cl)C(=O)Cl TS20793 [0,1,0,0,0,0|2,0,0]=3 898 B11R1.166 c1cc(c(cc1Cl)Cl)C(=O)N TS16280 [0,1,0,0,0,0|2,0,0]=3 899 B11R1.166 c1cc(c(cc1Cl)Cl)C(=O)O TS17211 [0,1,0,0,0,0|1,0,0]=2 900 B11R1.166 c1cc(c(cc1Cl)Cl)C(=S)N TS20102 [0,1,0,0,0,0|2,1,0]=4 901 B11R1.166 c1cc(c(cc1Cl)Cl)N(=O)=O TS59919 [0,1,0,0,0,0|2,0,1]=4 902 B11R1.166 c1cc(c(cc1Cl)F)C(=O)Cl TS17598 [0,1,0,0,0,0|2,0,0]=3 903 B11R1.166 c1cc(c(cc1Cl)F)C(=O)O TS39483 [0,1,0,0,0,0|1,0,0]=2 904 B11R1.166 c1cc(c(cc1Cl)F)N(=O)=O TS03042 [0,1,0,0,0,0|2,0,1]=4 905 B11R1.166 c1cc(c(cc1Cl)I)C(=O)O TS39490 [0,1,0,0,0,0|1,0,0]=2 906 B11R1.166 c1cc(c(cc1Cl)N)C(=O)O TS00744 [0,1,0,0,0,0|1,0,0]=2 907 B11R1.166 c1cc(c(cc1Cl)N)[N+](=O)[O-] TS03255 [0,1,0,0,0,0|2,0,1]=4 908 B11R1.166 c1cc(c(cc1Cl)O)C(=O)O TS39488 [0,1,0,0,0,0|0,0,0]=1 909 B11R1.166 c1cc(c(cc1F)Br)C(=O)Cl TS26101 [0,1,0,0,0,0|2,0,0]=3 910 B11R1.166 c1cc(c(cc1F)Br)C(=O)O TS08812 [0,1,0,0,0,0|1,0,0]=2 911 B11R1.166 c1cc(c(cc1F)Br)N(=O)=O TS08320 [0,1,0,0,0,0|2,0,1]=4 912 B11R1.166 c1cc(c(cc1F)Cl)C(=O)Cl TS00887 [0,1,0,0,0,0|2,0,0]=3 913 B11R1.166 c1cc(c(cc1F)Cl)C(=O)N TS45695 [0,1,0,0,0,0|2,0,0]=3 914 B11R1.166 c1cc(c(cc1F)Cl)C(=O)O TS00885 [0,1,0,0,0,0|1,0,0]=2 915 B11R1.166 c1cc(c(cc1F)Cl)N(=O)=O TS00888 [0,1,0,0,0,0|2,0,1]=4 916 B11R1.166 c1cc(c(cc1F)F)C(=N)N TS17577 [0,1,0,0,0,0|3,0,0]=4 917 B11R1.166 c1cc(c(cc1F)F)C(=O)Cl TS13938 [0,1,0,0,0,0|2,0,0]=3 918 B11R1.166 c1cc(c(cc1F)F)C(=O)N TS41744 [0,1,0,0,0,0|2,0,0]=3 919 B11R1.166 c1cc(c(cc1F)F)C(=O)O TS00630 [0,1,0,0,0,0|1,0,0]=2 920 B11R1.166 c1cc(c(cc1F)F)C(=O)[O-] TS14505 [0,1,0,0,0,0|1,0,1]=3 921 B11R1.166 c1cc(c(cc1F)F)C(=S)N TS45603 [0,1,0,0,0,0|2,1,0]=4 922 B11R1.166 c1cc(c(cc1F)F)N(=O)=O TS00634 [0,1,0,0,0,0|2,0,1]=4 923 B11R1.166 c1cc(c(cc1F)I)C(=O)O TS09699 [0,1,0,0,0,0|1,0,0]=2 924 B11R1.166 c1cc(c(cc1F)N)C(=O)O TS00751 [0,1,0,0,0,0|1,0,0]=2 925 B11R1.166 c1cc(c(cc1F)N)[N+](=O)[O-] TS03303 [0,1,0,0,0,0|2,0,1]=4 926 B11R1.166 c1cc(c(cc1F)O)C(=O)O TS09697 [0,1,0,0,0,0|0,0,0]=1 927 B11R1.166 c1cc(c(cc1F)O)[N+](=O)[O-] TS03307 [0,1,0,0,0,0|1,0,1]=3 928 B11R1.166 c1cc(c(cc1F)S)C(=O)O TS13135 [0,1,0,0,0,0|0,1,0]=2 929 B11R1.166 c1cc(c(cc1I)Br)C(=O)O TS77655 [0,1,0,0,0,0|1,0,0]=2 930 B11R1.166 c1cc(c(cc1I)F)C(=O)O TS09294 [0,1,0,0,0,0|1,0,0]=2 931 B11R1.166 c1cc(c(cc1I)N)C(=O)O TS47401 [0,1,0,0,0,0|1,0,0]=2 932 B11R1.166 c1cc(c(cc1I)O)C(=O)O TS65435 [0,1,0,0,0,0|0,0,0]=1 933 B11R1.166 c1cc(c(cc1N)Br)[N+](=O)[O-] TS09460 [0,1,0,0,0,0|2,0,1]=4 934 B11R1.166 c1cc(c(cc1N)Cl)C(=O)O TS02957 [0,1,0,0,0,0|1,0,0]=2 935 B11R1.166 c1cc(c(cc1N)Cl)[N+](=O)[O-] TS13258 [0,1,0,0,0,0|2,0,1]=4 936 B11R1.166 c1cc(c(cc1N)F)C(=O)O TS02962 [0,1,0,0,0,0|1,0,0]=2 937 B11R1.166 c1cc(c(cc1N)F)[N+](=O)[O-] TS02760 [0,1,0,0,0,0|2,0,1]=4 938 B11R1.166 c1cc(c(cc1N)N)C(=O)O TS41115 [0,1,0,0,0,0|1,0,0]=2 939 B11R1.166 c1cc(c(cc1N)N)[N+](=O)[O-] TS10297 [0,1,0,0,0,0|2,0,1]=4 940 B11R1.166 c1cc(c(cc1N)N)[N+](=O)[O-] TS62964 [0,1,0,0,0,0|2,0,1]=4 941 B11R1.166 c1cc(c(cc1N)O)C(=O)O TS32624 [0,1,0,0,0,0|0,0,0]=1 942 B11R1.166 c1cc(c(cc1N)O)C(=O)[O-] TS00265 [0,1,0,0,0,0|0,0,1]=2 943 B11R1.166 c1cc(c(cc1N)O)C(=O)[O-] TS45911 [0,1,0,0,0,0|0,0,1]=2 944 B11R1.166 c1cc(c(cc1N)O)C(=O)[O-] TS78687 [0,1,0,0,0,0|0,0,1]=2 945 B11R1.166 c1cc(c(cc1O)F)C(=O)O TS01827 [0,1,0,0,0,0|1,0,0]=2 946 B11R1.166 c1cc(c(cc1O)F)[N+](=O)[O-] TS02765 [0,1,0,0,0,0|2,0,1]=4 947 B11R1.166 c1cc(c(cc1O)O)C(=O)N TS10290 [0,1,0,0,0,0|1,0,0]=2 948 B11R1.166 c1cc(c(cc1O)O)C(=O)O TS10385 [0,1,0,0,0,0|0,0,0]=1 949 B11R1.166 c1cc(nc(c1C(=O)N)N)Cl TS13084 [0,1,0,0,0,0|3,0,0]=4 950 B11R1.166 c1cc(nc(c1C(=O)O)Br)Br TS34264 [0,1,0,0,0,0|2,0,0]=3 951 B11R1.166 c1cc(nc(c1C(=O)O)Cl)Cl TS34635 [0,1,0,0,0,0|2,0,0]=3 952 B11R1.166 c1cc(nc(c1C(=O)O)Cl)O TS55263 [0,1,0,0,0,0|2,0,0]=3 953 B11R1.166 c1cc(nc(c1C(=O)O)F)F TS47311 [0,1,0,0,0,0|2,0,0]=3 954 B11R1.166 c1cc(nc(c1C(=O)O)N)Cl TS89647 [0,1,0,0,0,0|2,0,0]=3 955 B11R1.166 c1cc(nc(c1C(=O)O)O)O TS10554 [0,1,0,0,0,0|1,0,0]=2 956 B11R1.166 c1cc(nc(c1[N+](=O)[O-])O)Cl TS45856 [0,1,0,0,0,0|2,0,1]=4 957 B11R1.166 c1cc(nc(c1[N+](=O)[O-])O)O TS41580 [0,1,0,0,0,0|2,0,1]=4 958 B11R1.167 B(c1cc(ccc1Br)Br)(O)O TS34148 [0,1,0,0,0,0|2,0,1]=4 959 B11R1.167 B(c1cc(ccc1Br)F)(O)O TS49537 [0,1,0,0,0,0|2,0,1]=4 960 B11R1.167 B(c1cc(ccc1C)C)(O)O TS40812 [0,1,0,0,0,0|2,0,1]=4 961 B11R1.167 B(c1cc(ccc1C)Cl)(O)O TS08049 [0,1,0,0,0,0|2,0,1]=4 962 B11R1.167 B(c1cc(ccc1C)F)(O)O TS55453 [0,1,0,0,0,0|2,0,1]=4 963 B11R1.167 B(c1cc(ccc1Cl)C)(O)O TS46387 [0,1,0,0,0,0|2,0,1]=4 964 B11R1.167 B(c1cc(ccc1Cl)F)(O)O TS60276 [0,1,0,0,0,0|2,0,1]=4 965 B11R1.167 B(c1cc(ccc1F)Br)(O)O TS32801 [0,1,0,0,0,0|2,0,1]=4 966 B11R1.167 B(c1cc(ccc1F)C)(O)O TS01009 [0,1,0,0,0,0|2,0,1]=4 967 B11R1.167 B(c1cc(ccc1F)Cl)(O)O TS45851 [0,1,0,0,0,0|2,0,1]=4 968 B11R1.167 B(c1cc(ccc1F)F)(O)O TS00678 [0,1,0,0,0,0|2,0,1]=4 969 B11R1.167 B(c1cc(ccc1F)N)(O)O TS41478 [0,1,0,0,0,0|2,0,1]=4 970 B11R1.167 B(c1cc(ccc1N)F)(O)O TS41477 [0,1,0,0,0,0|2,0,1]=4 971 B11R1.167 B(c1cc(ccc1O)Br)(O)O TS22151 [0,1,0,0,0,0|1,0,1]=3 972 B11R1.167 B(c1cc(ccc1O)Cl)(O)O TS71494 [0,1,0,0,0,0|1,0,1]=3 973 B11R1.167 B(c1cc(ccc1O)F)(O)O TS71537 [0,1,0,0,0,0|1,0,1]=3 974 B11R1.167 CC(=O)c1cc(ccc1Br)Br TS31290 [0,1,0,0,0,0|2,0,0]=3 975 B11R1.167 CC(=O)c1cc(ccc1Br)F TS08814 [0,1,0,0,0,0|2,0,0]=3 976 B11R1.167 CC(=O)c1cc(ccc1Cl)Cl TS47257 [0,1,0,0,0,0|2,0,0]=3 977 B11R1.167 CC(=O)c1cc(ccc1Cl)F TS13263 [0,1,0,0,0,0|2,0,0]=3 978 B11R1.167 CC(=O)c1cc(ccc1Cl)N TS12725 [0,1,0,0,0,0|2,0,0]=3 979 B11R1.167 CC(=O)c1cc(ccc1F)Br TS08178 [0,1,0,0,0,0|2,0,0]=3 980 B11R1.167 CC(=O)c1cc(ccc1F)F TS00671 [0,1,0,0,0,0|2,0,0]=3 981 B11R1.167 CC(=O)c1cc(ccc1F)O TS41349 [0,1,0,0,0,0|2,0,0]=3 982 B11R1.167 CC(=O)c1cc(ccc1O)Br TS71430 [0,1,0,0,0,0|1,0,0]=2 983 B11R1.167 CC(=O)c1cc(ccc1O)Cl TS71491 [0,1,0,0,0,0|1,0,0]=2 984 B11R1.167 CC(=O)c1cc(ccc1O)F TS71535 [0,1,0,0,0,0|1,0,0]=2 985 B11R1.167 CC(=O)c1cc(ccc1O)O TS65012 [0,1,0,0,0,0|1,0,0]=2 986 B11R1.167 CC(=O)c1cc(cnc1Cl)Br TS89970 [0,1,0,0,0,0|3,0,0]=4 987 B11R1.167 CC(=O)c1cc(cnc1F)Br TS49340 [0,1,0,0,0,0|3,0,0]=4 988 B11R1.167 CC(c1cc(ccc1Cl)Cl)O TS65343 [0,1,0,0,0,0|2,0,1]=4 989 B11R1.167 CC(c1cc(ccc1F)Br)O TS22531 [0,1,0,0,0,0|2,0,1]=4 990 B11R1.167 CC(c1cc(ccc1O)Cl)O TS45560 [0,1,0,0,0,0|1,0,1]=3 991 B11R1.167 Cc1cc(c(cn1)N)C(=O)O TS88670 [0,1,0,0,0,0|2,0,0]=3 992 B11R1.167 Cc1cc(c(nc1)Cl)C(=O)O TS13067 [0,1,0,0,0,0|2,0,0]=3 993 B11R1.167 Cc1cc(c(nc1)N)C(=O)O TS47442 [0,1,0,0,0,0|2,0,0]=3 994 B11R1.167 Cc1cc(c(nc1)O)[N+](=O)[O-] TS16695 [0,1,0,0,0,0|2,0,1]=4 995 B11R1.167 Cc1ccc(c(c1)C(=O)C)C TS07477 [0,1,0,0,0,0|2,0,0]=3 996 B11R1.167 Cc1ccc(c(c1)C(=O)C)F TS65414 [0,1,0,0,0,0|2,0,0]=3 997 B11R1.167 Cc1ccc(c(c1)C(=O)Cl)F TS13266 [0,1,0,0,0,0|2,0,0]=3 998 B11R1.167 Cc1ccc(c(c1)C(=O)N)N TS09882 [0,1,0,0,0,0|2,0,0]=3 999 B11R1.167 Cc1ccc(c(c1)C(=O)N)O TS41004 [0,1,0,0,0,0|1,0,0]=2 1000 B11R1.167 Cc1ccc(c(c1)C(=O)O)Br TS44641 [0,1,0,0,0,0|1,0,0]=2 1001 B11R1.167 Cc1ccc(c(c1)C(=O)O)C TS39633 [0,1,0,0,0,0|1,0,0]=2 1002 B11R1.167 Cc1ccc(c(c1)C(=O)O)Cl TS00913 [0,1,0,0,0,0|1,0,0]=2 1003 B11R1.167 Cc1ccc(c(c1)C(=O)O)F TS01007 [0,1,0,0,0,0|1,0,0]=2 1004 B11R1.167 Cc1ccc(c(c1)C(=O)O)I TS01076 [0,1,0,0,0,0|1,0,0]=2 1005 B11R1.167 Cc1ccc(c(c1)C(=O)O)N TS93654 [0,1,0,0,0,0|1,0,0]=2 1006 B11R1.167 Cc1ccc(c(c1)C(=O)O)O TS39669 [0,1,0,0,0,0|0,0,0]=1 1007 B11R1.167 Cc1ccc(c(c1)C(C)C)O TS40907 [0,1,0,0,0,0|2,0,1]=4 1008 B11R1.167 Cc1ccc(c(c1)C(C)O)C TS40905 [0,1,0,0,0,0|2,0,1]=4 1009 B11R1.167 Cc1ccc(c(c1)[N+](=O)[O-])Br TS08749 [0,1,0,0,0,0|2,0,1]=4 1010 B11R1.167 Cc1ccc(c(c1)[N+](=O)[O-])C TS10012 [0,1,0,0,0,0|2,0,1]=4 1011 B11R1.167 Cc1ccc(c(c1)[N+](=O)[O-])Cl TS13074 [0,1,0,0,0,0|2,0,1]=4 1012 B11R1.167 Cc1ccc(c(c1)[N+](=O)[O-])F TS71131 [0,1,0,0,0,0|2,0,1]=4 1013 B11R1.167 Cc1ccc(c(c1)[N+](=O)[O-])I TS07801 [0,1,0,0,0,0|2,0,1]=4 1014 B11R1.167 Cc1ccc(c(c1)[N+](=O)[O-])N TS39761 [0,1,0,0,0,0|2,0,1]=4 1015 B11R1.167 Cc1ccc(c(c1)[N+](=O)[O-])O TS41245 [0,1,0,0,0,0|1,0,1]=3 1016 B11R1.167 Cc1ccc(c(n1)[N+](=O)[O-])O TS70617 [0,1,0,0,0,0|2,0,1]=4 1017 B11R1.167 Cc1ccc(cc1C(=O)Cl)F TS45555 [0,1,0,0,0,0|2,0,0]=3 1018 B11R1.167 Cc1ccc(cc1C(=O)N)F TS10308 [0,1,0,0,0,0|2,0,0]=3 1019 B11R1.167 Cc1ccc(cc1C(=O)O)Br TS09795 [0,1,0,0,0,0|1,0,0]=2 1020 B11R1.167 Cc1ccc(cc1C(=O)O)Cl TS59724 [0,1,0,0,0,0|1,0,0]=2 1021 B11R1.167 Cc1ccc(cc1C(=O)O)F TS71548 [0,1,0,0,0,0|1,0,0]=2 1022 B11R1.167 Cc1ccc(cc1C(=O)O)I TS71573 [0,1,0,0,0,0|1,0,0]=2 1023 B11R1.167 Cc1ccc(cc1C(=O)O)N TS10034 [0,1,0,0,0,0|1,0,0]=2 1024 B11R1.167 Cc1ccc(cc1C(=O)O)O TS08754 [0,1,0,0,0,0|1,0,0]=2 1025 B11R1.167 Cc1ccc(cc1[N+](=O)[O-])Br TS70970 [0,1,0,0,0,0|2,0,1]=4 1026 B11R1.167 Cc1ccc(cc1[N+](=O)[O-])Cl TS71028 [0,1,0,0,0,0|2,0,1]=4 1027 B11R1.167 Cc1ccc(cc1[N+](=O)[O-])F TS09709 [0,1,0,0,0,0|2,0,1]=4 1028 B11R1.167 Cc1ccc(cc1[N+](=O)[O-])I TS71189 [0,1,0,0,0,0|2,0,1]=4 1029 B11R1.167 Cc1ccc(cc1[N+](=O)[O-])N TS71231 [0,1,0,0,0,0|2,0,1]=4 1030 B11R1.167 Cc1ccc(cc1[N+](=O)[O-])O TS01859 [0,1,0,0,0,0|2,0,1]=4 1031 B11R1.167 Cc1ncc(c(n1)C(=O)O)Br TS55452 [0,1,0,0,0,0|3,0,0]=4 1032 B11R1.167 c1c(c(cnc1Br)Br)C(=O)O TS34266 [0,1,0,0,0,0|2,0,0]=3 1033 B11R1.167 c1c(c(cnc1Br)N)C(=O)O TS85822 [0,1,0,0,0,0|2,0,0]=3 1034 B11R1.167 c1c(c(cnc1Cl)Br)C(=O)O TS16984 [0,1,0,0,0,0|2,0,0]=3 1035 B11R1.167 c1c(c(cnc1Cl)Cl)C(=O)O TS00661 [0,1,0,0,0,0|2,0,0]=3 1036 B11R1.167 c1c(c(cnc1Cl)N)C(=O)O TS71357 [0,1,0,0,0,0|2,0,0]=3 1037 B11R1.167 c1c(c(cnc1F)N)C(=O)O TS10650 [0,1,0,0,0,0|2,0,0]=3 1038 B11R1.167 c1c(c(nc(n1)N)C(=O)O)Cl TS45693 [0,1,0,0,0,0|3,0,0]=4 1039 B11R1.167 c1c(c(nnc1Cl)Cl)C(=O)O TS38580 [0,1,0,0,0,0|3,0,0]=4 1040 B11R1.167 c1c(c(nnc1Cl)Cl)C(=O)O TS59599 [0,1,0,0,0,0|3,0,0]=4 1041 B11R1.167 c1c(cnc(c1C(=O)Cl)Cl)Cl TS43890 [0,1,0,0,0,0|3,0,0]=4 1042 B11R1.167 c1c(cnc(c1C(=O)N)Cl)Cl TS00662 [0,1,0,0,0,0|3,0,0]=4 1043 B11R1.167 c1c(cnc(c1C(=O)O)Br)Br TS59583 [0,1,0,0,0,0|2,0,0]=3 1044 B11R1.167 c1c(cnc(c1C(=O)O)Br)Cl TS55120 [0,1,0,0,0,0|2,0,0]=3 1045 B11R1.167 c1c(cnc(c1C(=O)O)Cl)Br TS16986 [0,1,0,0,0,0|2,0,0]=3 1046 B11R1.167 c1c(cnc(c1C(=O)O)Cl)Cl TS00663 [0,1,0,0,0,0|2,0,0]=3 1047 B11R1.167 c1c(cnc(c1C(=O)O)Cl)F TS55246 [0,1,0,0,0,0|2,0,0]=3 1048 B11R1.167 c1c(cnc(c1C(=O)O)Cl)N TS13259 [0,1,0,0,0,0|2,0,0]=3 1049 B11R1.167 c1c(cnc(c1C(=O)O)F)Br TS71423 [0,1,0,0,0,0|2,0,0]=3 1050 B11R1.167 c1c(cnc(c1C(=O)O)F)Cl TS09844 [0,1,0,0,0,0|2,0,0]=3 1051 B11R1.167 c1c(cnc(c1C(=O)O)F)F TS42019 [0,1,0,0,0,0|2,0,0]=3 1052 B11R1.167 c1c(cnc(c1C(=O)O)N)Br TS47432 [0,1,0,0,0,0|2,0,0]=3 1053 B11R1.167 c1c(cnc(c1C(=O)O)N)Br TS86237 [0,1,0,0,0,0|2,0,0]=3 1054 B11R1.167 c1c(cnc(c1C(=O)O)O)Br TS09780 [0,1,0,0,0,0|1,0,0]=2 1055 B11R1.167 c1c(cnc(c1C(=O)O)O)Cl TS71493 [0,1,0,0,0,0|1,0,0]=2 1056 B11R1.167 c1c(cnc(c1C(=O)O)O)F TS10827 [0,1,0,0,0,0|1,0,0]=2 1057 B11R1.167 c1c(cnc(c1[N+](=O)[O-])O)Br TS85453 [0,1,0,0,0,0|2,0,1]=4 1058 B11R1.167 c1c(cnc(c1[N+](=O)[O-])O)Cl TS71490 [0,1,0,0,0,0|2,0,1]=4 1059 B11R1.167 c1c(cnc(c1[N+](=O)[O-])O)F TS71534 [0,1,0,0,0,0|2,0,1]=4 1060 B11R1.167 c1c(cnc(c1[N+](=O)[O-])O)I TS87409 [0,1,0,0,0,0|2,0,1]=4 1061 B11R1.167 c1c(nc(c(n1)N)C(=O)O)Br TS02658 [0,1,0,0,0,0|3,0,0]=4 1062 B11R1.167 c1c(nc(c(n1)N)C(=O)O)Cl TS60002 [0,1,0,0,0,0|3,0,0]=4 1063 B11R1.167 c1c(nc(c(n1)N)C(=O)O)I TS30111 [0,1,0,0,0,0|3,0,0]=4 1064 B11R1.167 c1cc(c(cc1Br)C(=O)Cl)Cl TS28542 [0,1,0,0,0,0|2,0,0]=3 1065 B11R1.167 c1cc(c(cc1Br)C(=O)N)O TS09821 [0,1,0,0,0,0|1,0,0]=2 1066 B11R1.167 c1cc(c(cc1Br)C(=O)O)Br TS47248 [0,1,0,0,0,0|1,0,0]=2 1067 B11R1.167 c1cc(c(cc1Br)C(=O)O)Cl TS93544 [0,1,0,0,0,0|1,0,0]=2 1068 B11R1.167 c1cc(c(cc1Br)C(=O)O)F TS71420 [0,1,0,0,0,0|1,0,0]=2 1069 B11R1.167 c1cc(c(cc1Br)C(=O)O)I TS09784 [0,1,0,0,0,0|1,0,0]=2 1070 B11R1.167 c1cc(c(cc1Br)C(=O)O)N TS44778 [0,1,0,0,0,0|1,0,0]=2 1071 B11R1.167 c1cc(c(cc1Br)C(=O)O)O TS22157 [0,1,0,0,0,0|0,0,0]=1 1072 B11R1.167 c1cc(c(cc1Br)C(=O)O)S TS25340 [0,1,0,0,0,0|0,1,0]=2 1073 B11R1.167 c1cc(c(cc1Br)[N+](=O)[O-])Br TS34265 [0,1,0,0,0,0|2,0,1]=4 1074 B11R1.167 c1cc(c(cc1Br)[N+](=O)[O-])Cl TS39529 [0,1,0,0,0,0|2,0,1]=4 1075 B11R1.167 c1cc(c(cc1Br)[N+](=O)[O-])F TS71424 [0,1,0,0,0,0|2,0,1]=4 1076 B11R1.167 c1cc(c(cc1Br)[N+](=O)[O-])N TS70966 [0,1,0,0,0,0|2,0,1]=4 1077 B11R1.167 c1cc(c(cc1Br)[N+](=O)[O-])O TS70969 [0,1,0,0,0,0|1,0,1]=3 1078 B11R1.167 c1cc(c(cc1Cl)C(=O)Cl)Cl TS00659 [0,1,0,0,0,0|2,0,0]=3 1079 B11R1.167 c1cc(c(cc1Cl)C(=O)Cl)F TS17600 [0,1,0,0,0,0|2,0,0]=3 1080 B11R1.167 c1cc(c(cc1Cl)C(=O)N)F TS13401 [0,1,0,0,0,0|2,0,0]=3 1081 B11R1.167 c1cc(c(cc1Cl)C(=O)N)N TS45231 [0,1,0,0,0,0|2,0,0]=3 1082 B11R1.167 c1cc(c(cc1Cl)C(=O)N)O TS39772 [0,1,0,0,0,0|1,0,0]=2 1083 B11R1.167 c1cc(c(cc1Cl)C(=O)O)Br TS55118 [0,1,0,0,0,0|1,0,0]=2 1084 B11R1.167 c1cc(c(cc1Cl)C(=O)O)Cl TS17212 [0,1,0,0,0,0|1,0,0]=2 1085 B11R1.167 c1cc(c(cc1Cl)C(=O)O)F TS09840 [0,1,0,0,0,0|1,0,0]=2 1086 B11R1.167 c1cc(c(cc1Cl)C(=O)O)I TS07824 [0,1,0,0,0,0|1,0,0]=2 1087 B11R1.167 c1cc(c(cc1Cl)C(=O)O)N TS00775 [0,1,0,0,0,0|1,0,0]=2 1088 B11R1.167 c1cc(c(cc1Cl)C(=O)O)N TS43384 [0,1,0,0,0,0|1,0,0]=2 1089 B11R1.167 c1cc(c(cc1Cl)C(=O)O)O TS13255 [0,1,0,0,0,0|0,0,0]=1 1090 B11R1.167 c1cc(c(cc1Cl)C(=O)O)S TS50836 [0,1,0,0,0,0|0,1,0]=2 1091 B11R1.167 c1cc(c(cc1Cl)N(=O)=O)F TS09845 [0,1,0,0,0,0|2,0,1]=4 1092 B11R1.167 c1cc(c(cc1Cl)[N+](=O)[O-])Br TS16851 [0,1,0,0,0,0|2,0,1]=4 1093 B11R1.167 c1cc(c(cc1Cl)[N+](=O)[O-])Cl TS00664 [0,1,0,0,0,0|2,0,1]=4 1094 B11R1.167 c1cc(c(cc1Cl)[N+](=O)[O-])N TS39746 [0,1,0,0,0,0|2,0,1]=4 1095 B11R1.167 c1cc(c(cc1Cl)[N+](=O)[O-])O TS45692 [0,1,0,0,0,0|1,0,1]=3 1096 B11R1.167 c1cc(c(cc1F)C(=N)N)F TS17576 [0,1,0,0,0,0|3,0,0]=4 1097 B11R1.167 c1cc(c(cc1F)C(=O)Cl)Br TS26098 [0,1,0,0,0,0|2,0,0]=3 1098 B11R1.167 c1cc(c(cc1F)C(=O)Cl)Cl TS17597 [0,1,0,0,0,0|2,0,0]=3 1099 B11R1.167 c1cc(c(cc1F)C(=O)N)Cl TS13404 [0,1,0,0,0,0|2,0,0]=3 1100 B11R1.167 c1cc(c(cc1F)C(=O)N)F TS41741 [0,1,0,0,0,0|2,0,0]=3 1101 B11R1.167 c1cc(c(cc1F)C(=O)N)N TS00785 [0,1,0,0,0,0|2,0,0]=3 1102 B11R1.167 c1cc(c(cc1F)C(=O)O)Br TS60266 [0,1,0,0,0,0|1,0,0]=2 1103 B11R1.167 c1cc(c(cc1F)C(=O)O)Cl TS09282 [0,1,0,0,0,0|1,0,0]=2 1104 B11R1.167 c1cc(c(cc1F)C(=O)O)F TS00676 [0,1,0,0,0,0|1,0,0]=2 1105 B11R1.167 c1cc(c(cc1F)C(=O)O)I TS01073 [0,1,0,0,0,0|1,0,0]=2 1106 B11R1.167 c1cc(c(cc1F)C(=O)O)N TS08951 [0,1,0,0,0,0|1,0,0]=2 1107 B11R1.167 c1cc(c(cc1F)C(=O)O)O TS10648 [0,1,0,0,0,0|0,0,0]=1 1108 B11R1.167 c1cc(c(cc1F)C(=O)O)S TS13136 [0,1,0,0,0,0|0,1,0]=2 1109 B11R1.167 c1cc(c(cc1F)N(=O)=O)Cl TS59953 [0,1,0,0,0,0|2,0,1]=4 1110 B11R1.167 c1cc(c(cc1F)N(=O)=O)I TS01074 [0,1,0,0,0,0|2,0,1]=4 1111 B11R1.167 c1cc(c(cc1F)[N+](=O)[O-])N TS09705 [0,1,0,0,0,0|2,0,1]=4 1112 B11R1.167 c1cc(c(cc1F)[N+](=O)[O-])O TS09708 [0,1,0,0,0,0|1,0,1]=3 1113 B11R1.167 c1cc(c(cc1I)C(=O)O)Br TS77657 [0,1,0,0,0,0|1,0,0]=2 1114 B11R1.167 c1cc(c(cc1I)C(=O)O)Cl TS65397 [0,1,0,0,0,0|1,0,0]=2 1115 B11R1.167 c1cc(c(cc1I)C(=O)O)F TS01001 [0,1,0,0,0,0|1,0,0]=2 1116 B11R1.167 c1cc(c(cc1I)C(=O)O)I TS66956 [0,1,0,0,0,0|1,0,0]=2 1117 B11R1.167 c1cc(c(cc1I)C(=O)O)N TS68682 [0,1,0,0,0,0|1,0,0]=2 1118 B11R1.167 c1cc(c(cc1I)C(=O)O)O TS29987 [0,1,0,0,0,0|0,0,0]=1 1119 B11R1.167 c1cc(c(cc1I)[N+](=O)[O-])N TS71188 [0,1,0,0,0,0|2,0,1]=4 1120 B11R1.167 c1cc(c(cc1N)C(=O)O)Br TS71352 [0,1,0,0,0,0|1,0,0]=2 1121 B11R1.167 c1cc(c(cc1N)C(=O)O)Cl TS13075 [0,1,0,0,0,0|1,0,0]=2 1122 B11R1.167 c1cc(c(cc1N)C(=O)O)Cl TS30728 [0,1,0,0,0,0|1,0,0]=2 1123 B11R1.167 c1cc(c(cc1N)C(=O)O)N TS41122 [0,1,0,0,0,0|1,0,0]=2 1124 B11R1.167 c1cc(c(cc1N)C(=O)O)O TS71390 [0,1,0,0,0,0|0,0,0]=1 1125 B11R1.167 c1cc(c(cc1N)C(=O)[O-])O TS45912 [0,1,0,0,0,0|0,0,1]=2 1126 B11R1.167 c1cc(c(cc1N)[N+](=O)[O-])Br TS39471 [0,1,0,0,0,0|2,0,1]=4 1127 B11R1.167 c1cc(c(cc1N)[N+](=O)[O-])Cl TS13261 [0,1,0,0,0,0|2,0,1]=4 1128 B11R1.167 c1cc(c(cc1N)[N+](=O)[O-])F TS39505 [0,1,0,0,0,0|2,0,1]=4 1129 B11R1.167 c1cc(c(cc1N)[N+](=O)[O-])N TS10293 [0,1,0,0,0,0|2,0,1]=4 1130 B11R1.167 c1cc(c(cc1N)[N+](=O)[O-])N TS62965 [0,1,0,0,0,0|2,0,1]=4 1131 B11R1.167 c1cc(c(cc1N)[N+](=O)[O-])O TS41334 [0,1,0,0,0,0|1,0,1]=3 1132 B11R1.167 c1cc(c(cc1O)C(=O)O)Br TS22158 [0,1,0,0,0,0|1,0,0]=2 1133 B11R1.167 c1cc(c(cc1O)C(=O)O)F TS00998 [0,1,0,0,0,0|1,0,0]=2 1134 B11R1.167 c1cc(c(cc1O)C(=O)O)I TS29985 [0,1,0,0,0,0|1,0,0]=2 1135 B11R1.167 c1cc(c(cc1O)C(=O)O)N TS03332 [0,1,0,0,0,0|1,0,0]=2 1136 B11R1.167 c1cc(c(cc1O)C(=O)O)O TS39630 [0,1,0,0,0,0|0,0,0]=1 1137 B11R1.167 c1cc(c(cc1O)C(=O)[O-])O TS13772 [0,1,0,0,0,0|0,0,1]=2 1138 B11R1.167 c1cc(c(cc1O)[N+](=O)[O-])Br TS70978 [0,1,0,0,0,0|2,0,1]=4 1139 B11R1.167 c1cc(c(cc1O)[N+](=O)[O-])Cl TS45691 [0,1,0,0,0,0|2,0,1]=4 1140 B11R1.167 c1cc(c(cc1O)[N+](=O)[O-])F TS71130 [0,1,0,0,0,0|2,0,1]=4 1141 B11R1.167 c1cc(c(cc1O)[N+](=O)[O-])I TS30110 [0,1,0,0,0,0|2,0,1]=4 1142 B11R1.167 c1cc(c(cc1O)[N+](=O)[O-])N TS39731 [0,1,0,0,0,0|2,0,1]=4 1143 B11R1.167 c1cc(c(cc1O)[N+](=O)[O-])O TS10556 [0,1,0,0,0,0|1,0,1]=3 1144 B11R1.167 c1cc(nc(c1Cl)C(=O)O)Cl TS51386 [0,1,0,0,0,0|2,0,0]=3 1145 B11R1.167 c1cc(nc(c1Cl)C(=O)O)Cl TS63216 [0,1,0,0,0,0|2,0,0]=3 1146 B11R1.167 c1cc(nc(c1F)C(=O)O)Cl TS39359 [0,1,0,0,0,0|2,0,0]=3 1147 B11R1.167 c1cc(nc(c1N)C(=O)N)Cl TS87041 [0,1,0,0,0,0|3,0,0]=4 1148 B11R1.167 c1cc(nc(c1N)C(=O)O)Cl TS89991 [0,1,0,0,0,0|2,0,0]=3 1149 B11R1.167 c1cn(=O)cc(c1O)N(=O)=O TS41579 [0,1,0,0,0,0|2,0,1]=4 1150 B11R1.222 CC(=NO)c1ccccc1O TS10031 [0,1,0,0,0,0|1,0,0]=2 1151 B11R1.222 CCC(=O)c1ccccc1F TS01035 [0,1,0,0,0,0|2,0,0]=3 1152 B11R1.222 CCC(=O)c1ccccc1O TS09859 [0,1,0,0,0,0|1,0,0]=2 1153 B11R1.222 CCC(C)c1ccccc1O TS40906 [0,1,0,0,0,0|2,0,1]=4 1154 B11R1.222 CNC(=O)c1ccccc1Br TS44448 [0,1,0,0,0,0|2,0,0]=3 1155 B11R1.222 CNC(=O)c1ccccc1N TS00814 [0,1,0,0,0,0|2,0,0]=3 1156 B11R1.222 CNC(=O)c1ccccc1O TS41017 [0,1,0,0,0,0|1,0,0]=2 1157 B11R1.222 CNC(=O)c1cccnc1N TS10047 [0,1,0,0,0,0|3,0,0]=4 1158 B11R1.222 COC(=O)c1c(cccn1)Br TS86373 [0,1,0,0,0,0|2,0,0]=3 1159 B11R1.222 COC(=O)c1c(cccn1)Cl TS56271 [0,1,0,0,0,0|2,0,0]=3 1160 B11R1.222 COC(=O)c1c(cccn1)F TS02769 [0,1,0,0,0,0|2,0,0]=3 1161 B11R1.222 COC(=O)c1c(cccn1)N TS08576 [0,1,0,0,0,0|2,0,0]=3 1162 B11R1.222 COC(=O)c1c(cccn1)O TS02799 [0,1,0,0,0,0|1,0,0]=2 1163 B11R1.222 COC(=O)c1c(nccn1)Br TS87022 [0,1,0,0,0,0|3,0,0]=4 1164 B11R1.222 COC(=O)c1c(nccn1)Cl TS16646 [0,1,0,0,0,0|3,0,0]=4 1165 B11R1.222 COC(=O)c1c(nccn1)N TS08547 [0,1,0,0,0,0|3,0,0]=4 1166 B11R1.222 COC(=O)c1c(nccn1)O TS41332 [0,1,0,0,0,0|2,0,0]=3 1167 B11R1.222 COC(=O)c1ccc[nH]c1=O TS56261 [0,1,0,0,0,0|1,0,1]=3 1168 B11R1.222 COC(=O)c1ccccc1Br TS44643 [0,1,0,0,0,0|1,0,0]=2 1169 B11R1.222 COC(=O)c1ccccc1Cl TS12913 [0,1,0,0,0,0|1,0,0]=2 1170 B11R1.222 COC(=O)c1ccccc1F TS56255 [0,1,0,0,0,0|1,0,0]=2 1171 B11R1.222 COC(=O)c1ccccc1I TS29742 [0,1,0,0,0,0|1,0,0]=2 1172 B11R1.222 COC(=O)c1ccccc1N TS56313 [0,1,0,0,0,0|1,0,0]=2 1173 B11R1.222 COC(=O)c1ccccc1O TS10129 [0,1,0,0,0,0|0,0,0]=1 1174 B11R1.222 COC(=O)c1ccccc1S TS44891 [0,1,0,0,0,0|0,1,0]=2 1175 B11R1.222 COC(=O)c1cccnc1Br TS59949 [0,1,0,0,0,0|2,0,0]=3 1176 B11R1.222 COC(=O)c1cccnc1Cl TS56252 [0,1,0,0,0,0|2,0,0]=3 1177 B11R1.222 COC(=O)c1cccnc1F TS01029 [0,1,0,0,0,0|2,0,0]=3 1178 B11R1.222 COC(=O)c1cccnc1N TS08546 [0,1,0,0,0,0|2,0,0]=3 1179 B11R1.222 COC(=O)c1cccnc1O TS41251 [0,1,0,0,0,0|1,0,0]=2 1180 B11R1.222 COC(=O)c1ccn[nH]c1=O TS89730 [0,1,0,0,0,0|2,0,1]=4 1181 B11R1.222 COC(=O)c1ccncc1Br TS86589 [0,1,0,0,0,0|2,0,0]=3 1182 B11R1.222 COC(=O)c1ccncc1I TS70635 [0,1,0,0,0,0|2,0,0]=3 1183 B11R1.222 COC(=O)c1ccncc1N TS41123 [0,1,0,0,0,0|2,0,0]=3 1184 B11R1.222 COC(=O)c1ccncc1O TS41246 [0,1,0,0,0,0|1,0,0]=2 1185 B11R1.222 COC(=O)c1ccnnc1N TS94860 [0,1,0,0,0,0|3,0,0]=4 1186 B11R1.222 COC(=O)c1cnccc1Cl TS09678 [0,1,0,0,0,0|2,0,0]=3 1187 B11R1.222 COC(=O)c1cnccc1N TS08595 [0,1,0,0,0,0|2,0,0]=3 1188 B11R1.222 COC(=O)c1cnccc1O TS16569 [0,1,0,0,0,0|1,0,0]=2 1189 B11R1.222 Cc1c(cccn1)C(=O)OC TS56260 [0,1,0,0,0,0|2,0,0]=3 1190 B11R1.222 Cc1ccccc1C(=O)C#N TS07084 [0,1,0,0,0,0|2,0,0]=3 1191 B11R1.222 Cc1ccccc1C(=O)NC TS40759 [0,1,0,0,0,0|2,0,0]=3 1192 B11R1.222 Cc1ccccc1C(=O)NN TS40876 [0,1,0,0,0,0|2,0,0]=3 1193 B11R1.222 Cc1ccccc1C(=O)OC TS09866 [0,1,0,0,0,0|1,0,0]=2 1194 B11R1.222 Cc1cccnc1C(=NO)N TS41024 [0,1,0,0,0,0|3,0,0]=4 1195 B11R1.222 Cc1cccnc1C(=O)OC TS10019 [0,1,0,0,0,0|2,0,0]=3 1196 B11R1.222 Cc1ccncc1C(=O)OC TS16573 [0,1,0,0,0,0|2,0,0]=3 1197 B11R1.222 Cc1cnccc1C(=O)OC TS90300 [0,1,0,0,0,0|2,0,0]=3 1198 B11R1.222 Cc1cnncc1C(=O)OC TS91909 [0,1,0,0,0,0|3,0,0]=4 1199 B11R1.222 c1cc(c(nc1)C(=O)CBr)O TS58699 [0,1,0,0,0,0|2,0,0]=3 1200 B11R1.222 c1ccc(c(c1)C(=N)NO)Cl TS45232 [0,1,0,0,0,0|2,0,0]=3 1201 B11R1.222 c1ccc(c(c1)C(=NO)N)N TS41025 [0,1,0,0,0,0|2,0,0]=3 1202 B11R1.222 c1ccc(c(c1)C(=NO)N)O TS10149 [0,1,0,0,0,0|1,0,0]=2 1203 B11R1.222 c1ccc(c(c1)C(=O)C#N)Br TS43719 [0,1,0,0,0,0|2,0,0]=3 1204 B11R1.222 c1ccc(c(c1)C(=O)C#N)Cl TS42962 [0,1,0,0,0,0|2,0,0]=3 1205 B11R1.222 c1ccc(c(c1)C(=O)C#N)F TS40715 [0,1,0,0,0,0|2,0,0]=3 1206 B11R1.222 c1ccc(c(c1)C(=O)CBr)Br TS00854 [0,1,0,0,0,0|2,0,0]=3 1207 B11R1.222 c1ccc(c(c1)C(=O)CBr)Cl TS08386 [0,1,0,0,0,0|2,0,0]=3 1208 B11R1.222 c1ccc(c(c1)C(=O)CBr)F TS01031 [0,1,0,0,0,0|2,0,0]=3 1209 B11R1.222 c1ccc(c(c1)C(=O)CBr)O TS44636 [0,1,0,0,0,0|1,0,0]=2 1210 B11R1.222 c1ccc(c(c1)C(=O)CCl)N TS08140 [0,1,0,0,0,0|2,0,0]=3 1211 B11R1.222 c1ccc(c(c1)C(=O)CN)F TS08266 [0,1,0,0,0,0|2,0,0]=3 1212 B11R1.222 c1ccc(c(c1)C(=O)NN)Br TS44649 [0,1,0,0,0,0|2,0,0]=3 1213 B11R1.222 c1ccc(c(c1)C(=O)NN)Cl TS45234 [0,1,0,0,0,0|2,0,0]=3 1214 B11R1.222 c1ccc(c(c1)C(=O)NN)F TS10393 [0,1,0,0,0,0|2,0,0]=3 1215 B11R1.222 c1ccc(c(c1)C(=O)NN)I TS29743 [0,1,0,0,0,0|2,0,0]=3 1216 B11R1.222 c1ccc(c(c1)C(=O)NN)N TS41026 [0,1,0,0,0,0|2,0,0]=3 1217 B11R1.222 c1ccc(c(c1)C(=O)NN)O TS41118 [0,1,0,0,0,0|1,0,0]=2 1218 B11R1.222 c1ccc(c(c1)C(=O)NO)N TS10147 [0,1,0,0,0,0|1,0,0]=2 1219 B11R1.222 c1ccc(c(c1)C(=O)NO)O TS22737 [0,1,0,0,0,0|0,0,0]=1 1220 B11R1.222 c1ccc(c(c1)C(CN)O)Br TS28393 [0,1,0,0,0,0|2,0,1]=4 1221 B11R1.222 c1ccc(c(c1)C(CN)O)Cl TS43394 [0,1,0,0,0,0|2,0,1]=4 1222 B11R1.222 c1ccc(c(c1)C(CN)O)F TS51364 [0,1,0,0,0,0|2,0,1]=4 1223 B11R1.222 c1ccc(c(c1)C(CN)O)I TS74551 [0,1,0,0,0,0|2,0,1]=4 1224 B11R1.222 c1ccc(c(c1)C(CO)N)Cl TS45379 [0,1,0,0,0,0|2,0,1]=4 1225 B9R0.33 C=CCC(C(=O)O)C(=O)O TS06926 [0,0,1,0,0,0|1,0,2]=4 1226 B11R2.1 Cc1c2ccccc2[nH]n1 TS70652 [0,0,0,1,0,0|3,0,0]=4 1227 B11R2.1 Cc1c2ccccc2[nH]n1 TS91059 [0,0,0,1,0,0|3,0,0]=4 1228 B11R2.1 Cc1c2ccccc2on1 TS36752 [0,0,0,1,0,0|2,0,0]=3 1229 B11R2.1 Cc1c[nH]c2c1cccc2 TS02848 [0,0,0,1,0,0|3,0,0]=4 1230 B11R2.1 Cc1coc2c1cccc2 TS36667 [0,0,0,1,0,0|2,0,0]=3 1231 B11R2.1 Cc1csc2c1cccc2 TS07495 [0,0,0,1,0,0|2,1,0]=4 1232 B11R2.1 c1cc2c(c(no2)N)nc1 TS88315 [0,0,0,1,0,0|3,0,0]=4 1233 B11R2.1 c1cc2c(nc1)C(=O)CC2 TS71343 [0,0,0,1,0,0|3,0,0]=4 1234 B11R2.1 c1cc2c(nc1)CCC2=O TS01198 [0,0,0,1,0,0|3,0,0]=4 1235 B11R2.1 c1cc2c(nc1)COC2=O TS05972 [0,0,0,1,0,0|2,0,0]=3 1236 B11R2.1 c1cc2c(noc2nc1)N TS05975 [0,0,0,1,0,0|3,0,0]=4 1237 B11R2.1 c1ccc2c(c1)C(=O)CO2 TS05876 [0,0,0,1,0,0|1,0,0]=2 1238 B11R2.1 c1ccc2c(c1)C(CO2)N TS05988 [0,0,0,1,0,0|2,0,1]=4 1239 B11R2.1 c1ccc2c(c1)C(CO2)N TS45384 [0,0,0,1,0,0|2,0,1]=4 1240 B11R2.1 c1ccc2c(c1)CC=C2Br TS51953 [0,0,0,1,0,0|3,0,0]=4 1241 B11R2.1 c1ccc2c(c1)CCC2=O TS46969 [0,0,0,1,0,0|2,0,0]=3 1242 B11R2.1 c1ccc2c(c1)CCC2O TS36840 [0,0,0,1,0,0|2,0,1]=4 1243 B11R2.1 c1ccc2c(c1)CC[C@@H]2O TS36843 [0,0,0,1,0,0|2,0,1]=4 1244 B11R2.1 c1ccc2c(c1)CC[C@H]2O TS36850 [0,0,0,1,0,0|2,0,1]=4 1245 B11R2.1 c1ccc2c(c1)CN=C2N TS12625 [0,0,0,1,0,0|3,0,0]=4 1246 B11R2.1 c1ccc2c(c1)COC2=O TS36800 [0,0,0,1,0,0|1,0,0]=2 1247 B11R2.1 c1ccc2c(c1)COC2=O TS94299 [0,0,0,1,0,0|1,0,0]=2 1248 B11R2.1 c1ccc2c(c1)c(=O)[nH]s2 TS93611 [0,0,0,1,0,0|1,1,0]=3 1249 B11R2.1 c1ccc2c(c1)c(=O)ss2 TS12573 [0,0,0,1,0,0|0,2,0]=3 1250 B11R2.1 c1ccc2c(c1)c(c[nH]2)Br TS65948 [0,0,0,1,0,0|3,0,0]=4 1251 B11R2.1 c1ccc2c(c1)c(c[nH]2)F TS05986 [0,0,0,1,0,0|3,0,0]=4 1252 B11R2.1 c1ccc2c(c1)c(c[nH]2)I TS26960 [0,0,0,1,0,0|3,0,0]=4 1253 B11R2.1 c1ccc2c(c1)c(c[nH]2)O TS70623 [0,0,0,1,0,0|2,0,0]=3 1254 B11R2.1 c1ccc2c(c1)c(co2)Br TS18385 [0,0,0,1,0,0|2,0,0]=3 1255 B11R2.1 c1ccc2c(c1)c(cs2)Br TS65900 [0,0,0,1,0,0|2,1,0]=4 1256 B11R2.1 c1ccc2c(c1)c(cs2)I TS29427 [0,0,0,1,0,0|2,1,0]=4 1257 B11R2.1 c1ccc2c(c1)c(cs2)O TS70621 [0,0,0,1,0,0|1,1,0]=3 1258 B11R2.1 c1ccc2c(c1)c(n[nH]2)Br TS65947 [0,0,0,1,0,0|3,0,0]=4 1259 B11R2.1 c1ccc2c(c1)c(n[nH]2)Cl TS09510 [0,0,0,1,0,0|3,0,0]=4 1260 B11R2.1 c1ccc2c(c1)c(n[nH]2)I TS02806 [0,0,0,1,0,0|3,0,0]=4 1261 B11R2.1 c1ccc2c(c1)c(n[nH]2)N TS46951 [0,0,0,1,0,0|3,0,0]=4 1262 B11R2.1 c1ccc2c(c1)c(n[nH]2)O TS05879 [0,0,0,1,0,0|2,0,0]=3 1263 B11R2.1 c1ccc2c(c1)c(no2)Cl TS09509 [0,0,0,1,0,0|2,0,0]=3 1264 B11R2.1 c1ccc2c(c1)c(no2)N TS46773 [0,0,0,1,0,0|2,0,0]=3 1265 B11R2.1 c1ccc2c(c1)c(no2)O TS01879 [0,0,0,1,0,0|1,0,0]=2 1266 B11R2.1 c1ccc2c(c1)c(ns2)Cl TS12734 [0,0,0,1,0,0|2,1,0]=4 1267 B11R2.1 c1ccc2c(c1)c(ns2)N TS46772 [0,0,0,1,0,0|2,1,0]=4 1268 B11R2.1 c1ccc2c(c1)ccs2=O TS40887 [0,0,0,1,0,0|3,0,0]=4 1269 B11R2.1 c1ccc2c(c1)nnn2O TS00446 [0,0,0,1,0,0|3,0,0]=4 1270 B11R2.1 c1ccc2c(c1)nnn2O TS05979 [0,0,0,1,0,0|3,0,0]=4 1271 B11R2.1 c1ccc2c(c1)nnn2O TS93163 [0,0,0,1,0,0|3,0,0]=4 1272 B11R2.1 c1ccc2c(c1)non2=O TS06044 [0,0,0,1,0,0|2,0,0]=3 1273 B11R2.1 c1ccn2c(c1)n[nH]c2=O TS16379 [0,0,0,1,0,0|3,0,0]=4 1274 B11R2.1 c1cncc2c1CNC2=O TS91296 [0,0,0,1,0,0|3,0,0]=4 1275 B11R2.1 c1cncc2c1COC2=O TS05973 [0,0,0,1,0,0|2,0,0]=3 1276 B9R1.41 CC(=O)c1c(ccs1)Br TS38751 [0,0,0,0,1,0|3,0,0]=4 1277 B9R1.41 CC(=O)c1c(ccs1)Cl TS42249 [0,0,0,0,1,0|3,0,0]=4 1278 B9R1.41 CC(=O)c1c(ccs1)N TS47344 [0,0,0,0,1,0|3,0,0]=4 1279 B9R1.41 CC(=O)c1cccn1C TS04953 [0,0,0,0,1,0|3,0,0]=4 1280 B9R1.41 Cc1c(c[nH]n1)C(=O)O TS05143 [0,0,0,0,1,0|3,0,0]=4 1281 B9R1.41 Cc1c(cco1)C(=O)Cl TS40263 [0,0,0,0,1,0|3,0,0]=4 1282 B9R1.41 Cc1c(cco1)C(=O)O TS05139 [0,0,0,0,1,0|2,0,0]=3 1283 B9R1.41 Cc1c(ccs1)C(=O)N TS37500 [0,0,0,0,1,0|3,0,0]=4 1284 B9R1.41 Cc1c(cno1)C(=O)O TS39785 [0,0,0,0,1,0|3,0,0]=4 1285 B9R1.41 Cc1c(con1)C(=O)O TS02851 [0,0,0,0,1,0|3,0,0]=4 1286 B9R1.41 Cc1c(nco1)C(=O)O TS55474 [0,0,0,0,1,0|3,0,0]=4 1287 B9R1.41 Cc1c(ncs1)C(=O)O TS55484 [0,0,0,0,1,0|3,0,0]=4 1288 B9R1.41 Cc1c(ocn1)C(=O)O TS03173 [0,0,0,0,1,0|3,0,0]=4 1289 B9R1.41 Cc1c(scn1)C(=O)O TS71243 [0,0,0,0,1,0|3,0,0]=4 1290 B9R1.41 Cc1c[nH]cc1C(=O)C TS01987 [0,0,0,0,1,0|3,0,0]=4 1291 B9R1.41 Cc1ccoc1C(=O)Cl TS40264 [0,0,0,0,1,0|3,0,0]=4 1292 B9R1.41 Cc1ccoc1C(=O)O TS70657 [0,0,0,0,1,0|2,0,0]=3 1293 B9R1.41 Cc1ccsc1C(=O)C TS37389 [0,0,0,0,1,0|3,0,0]=4 1294 B9R1.41 Cc1ccsc1C(=O)Cl TS42248 [0,0,0,0,1,0|3,0,0]=4 1295 B9R1.41 Cc1ccsc1C(=O)N TS37501 [0,0,0,0,1,0|3,0,0]=4 1296 B9R1.41 Cc1ccsc1C(=O)O TS70685 [0,0,0,0,1,0|2,0,0]=3 1297 B9R1.41 Cc1cnoc1C(=O)O TS03172 [0,0,0,0,1,0|3,0,0]=4 1298 B9R1.41 Cc1conc1C(=O)O TS05238 [0,0,0,0,1,0|3,0,0]=4 1299 B9R1.41 Cn1c(ccn1)C(=O)O TS16656 [0,0,0,0,1,0|3,0,0]=4 1300 B9R1.41 Cn1cccc1C(=O)O TS46984 [0,0,0,0,1,0|2,0,0]=3 1301 B9R1.41 Cn1ccnc1C(=O)O TS00468 [0,0,0,0,1,0|3,0,0]=4 1302 B9R1.41 Cn1cncc1C(=O)O TS00470 [0,0,0,0,1,0|3,0,0]=4 1303 B9R1.41 c1c(c(cs1)Br)C(=O)O TS09619 [0,0,0,0,1,0|2,0,0]=3 1304 B9R1.41 c1c(c(n[nH]1)C(=O)O)Br TS17204 [0,0,0,0,1,0|3,0,0]=4 1305 B9R1.41 c1c(c(n[nH]1)N)C(=O)O TS46439 [0,0,0,0,1,0|3,0,0]=4 1306 B9R1.41 c1c(c(ns1)Cl)C(=O)O TS42651 [0,0,0,0,1,0|3,0,0]=4 1307 B9R1.41 c1cc(n(c1)N)C(=O)N TS89649 [0,0,0,0,1,0|3,0,0]=4 1308 B9R1.41 c1coc(c1Br)C(=O)O TS51224 [0,0,0,0,1,0|2,0,0]=3 1309 B9R1.41 c1coc(c1C(=O)O)Br TS17203 [0,0,0,0,1,0|2,0,0]=3 1310 B9R1.41 c1csc(c1Br)C(=O)Cl TS24054 [0,0,0,0,1,0|3,0,0]=4 1311 B9R1.41 c1csc(c1Br)C(=O)N TS20092 [0,0,0,0,1,0|3,0,0]=4 1312 B9R1.41 c1csc(c1Br)C(=O)O TS09502 [0,0,0,0,1,0|2,0,0]=3 1313 B9R1.41 c1csc(c1C(=O)N)N TS40037 [0,0,0,0,1,0|3,0,0]=4 1314 B9R1.41 c1csc(c1C(=O)O)Br TS08315 [0,0,0,0,1,0|2,0,0]=3 1315 B9R1.41 c1csc(c1C(=O)O)Cl TS00972 [0,0,0,0,1,0|2,0,0]=3 1316 B9R1.41 c1csc(c1C(=O)O)F TS07162 [0,0,0,0,1,0|2,0,0]=3 1317 B9R1.41 c1csc(c1C(=O)O)N TS55051 [0,0,0,0,1,0|2,0,0]=3 1318 B9R1.41 c1csc(c1Cl)C(=O)Cl TS48025 [0,0,0,0,1,0|3,0,0]=4 1319 B9R1.41 c1csc(c1Cl)C(=O)N TS42361 [0,0,0,0,1,0|3,0,0]=4 1320 B9R1.41 c1csc(c1Cl)C(=O)O TS42529 [0,0,0,0,1,0|2,0,0]=3 1321 B9R1.41 c1csc(c1F)C(=O)O TS70577 [0,0,0,0,1,0|2,0,0]=3 1322 B9R1.41 c1csc(c1I)C(=O)O TS28552 [0,0,0,0,1,0|2,0,0]=3 1323 B9R1.41 c1csc(c1N)C(=O)N TS37588 [0,0,0,0,1,0|3,0,0]=4 1324 B9R1.41 c1csc(c1N)C(=O)O TS14481 [0,0,0,0,1,0|2,0,0]=3 1325 B9R1.41 c1csc(c1N)C(=O)O TS40071 [0,0,0,0,1,0|2,0,0]=3 1326 B9R1.41 c1csc(c1O)C(=O)O TS40161 [0,0,0,0,1,0|1,0,0]=2 1327 B9R1.41 c1nc(c(s1)Br)C(=O)O TS71468 [0,0,0,0,1,0|3,0,0]=4 1328 B9R1.41 c1nc(c(s1)C(=O)O)Cl TS71047 [0,0,0,0,1,0|3,0,0]=4 1329 B11R1.86 CC(=O)Cc1ccccc1Br TS21452 [0,0,0,0,0,1|2,0,0]=3 1330 B11R1.86 CC(=O)Cc1ccccc1Cl TS44948 [0,0,0,0,0,1|2,0,0]=3 1331 B11R1.86 CC(=O)Cc1ccccc1F TS10163 [0,0,0,0,0,1|2,0,0]=3 1332 B11R1.86 CC(=O)Nc1c(cccn1)O TS10151 [0,0,0,0,0,1|2,0,0]=3 1333 B11R1.86 CC(=O)Nc1ccccc1Br TS44445 [0,0,0,0,0,1|2,0,0]=3 1334 B11R1.86 CC(=O)Nc1ccccc1Cl TS12723 [0,0,0,0,0,1|2,0,0]=3 1335 B11R1.86 CC(=O)Nc1ccccc1F TS10312 [0,0,0,0,0,1|2,0,0]=3 1336 B11R1.86 CC(=O)Nc1ccccc1I TS29620 [0,0,0,0,0,1|2,0,0]=3 1337 B11R1.86 CC(=O)Nc1ccccc1N TS09894 [0,0,0,0,0,1|2,0,0]=3 1338 B11R1.86 CC(=O)Nc1ccccc1O TS10026 [0,0,0,0,0,1|1,0,0]=2 1339 B11R1.86 CC(=O)Oc1ccc[nH]c1=O TS41242 [0,0,0,0,0,1|2,0,1]=4 1340 B11R1.86 CC(=O)Oc1ccccc1Cl TS12917 [0,0,0,0,0,1|2,0,0]=3 1341 B11R1.86 CC(=O)Oc1ccccc1F TS41353 [0,0,0,0,0,1|2,0,0]=3 1342 B11R1.86 CC(C)Cc1ccccc1O TS40918 [0,0,0,0,0,1|2,0,1]=4 1343 B11R1.86 CC(C)Oc1ccccc1O TS10184 [0,0,0,0,0,1|2,0,1]=4 1344 B11R1.86 Cc1ccccc1CC(=O)C TS40648 [0,0,0,0,0,1|2,0,0]=3 1345 B11R1.86 Cc1ccccc1CC(=O)Cl TS12613 [0,0,0,0,0,1|2,0,0]=3 1346 B11R1.86 Cc1ccccc1CC(=O)O TS40859 [0,0,0,0,0,1|1,0,0]=2 1347 B11R1.86 Cc1ccccc1NC(=N)N TS07578 [0,0,0,0,0,1|3,0,0]=4 1348 B11R1.86 Cc1ccccc1NC(=N)N TS15535 [0,0,0,0,0,1|3,0,0]=4 1349 B11R1.86 Cc1ccccc1NC(=O)C TS40760 [0,0,0,0,0,1|2,0,0]=3 1350 B11R1.86 Cc1ccccc1NC(=O)N TS40867 [0,0,0,0,0,1|2,0,0]=3 1351 B11R1.86 Cc1ccccc1NC(=S)N TS12284 [0,0,0,0,0,1|2,1,0]=4 1352 B11R1.86 Cc1ccncc1NC(=O)C TS09896 [0,0,0,0,0,1|3,0,0]=4 1353 B11R1.86 c1cc(c(nc1)CC(=O)O)Br TS87435 [0,0,0,0,0,1|2,0,0]=3 1354 B11R1.86 c1cc(c(nc1)CC(=O)O)Cl TS13072 [0,0,0,0,0,1|2,0,0]=3 1355 B11R1.86 c1cc(c(nc1)Cl)CC(=O)O TS85678 [0,0,0,0,0,1|2,0,0]=3 1356 B11R1.86 c1ccc(c(c1)CC(=O)Cl)F TS08220 [0,0,0,0,0,1|2,0,0]=3 1357 B11R1.86 c1ccc(c(c1)CC(=O)N)Br TS44449 [0,0,0,0,0,1|2,0,0]=3 1358 B11R1.86 c1ccc(c(c1)CC(=O)O)Br TS00856 [0,0,0,0,0,1|1,0,0]=2 1359 B11R1.86 c1ccc(c(c1)CC(=O)O)Cl TS59962 [0,0,0,0,0,1|1,0,0]=2 1360 B11R1.86 c1ccc(c(c1)CC(=O)O)F TS93807 [0,0,0,0,0,1|1,0,0]=2 1361 B11R1.86 c1ccc(c(c1)CC(=O)O)I TS01083 [0,0,0,0,0,1|1,0,0]=2 1362 B11R1.86 c1ccc(c(c1)CC(=O)O)N TS10032 [0,0,0,0,0,1|1,0,0]=2 1363 B11R1.86 c1ccc(c(c1)CC(=O)O)N TS59939 [0,0,0,0,0,1|1,0,0]=2 1364 B11R1.86 c1ccc(c(c1)CC(=O)O)O TS07851 [0,0,0,0,0,1|0,0,0]=1 1365 B11R1.86 c1ccc(c(c1)CC(=O)O)S TS44883 [0,0,0,0,0,1|0,1,0]=2 1366 B11R1.86 c1ccc(c(c1)CC(=S)N)Cl TS15541 [0,0,0,0,0,1|2,1,0]=4 1367 B11R1.86 c1ccc(c(c1)NC(=N)N)Cl TS12730 [0,0,0,0,0,1|3,0,0]=4 1368 B11R1.86 c1ccc(c(c1)NC(=N)N)Cl TS20098 [0,0,0,0,0,1|3,0,0]=4 1369 B11R1.86 c1ccc(c(c1)NC(=N)N)F TS41263 [0,0,0,0,0,1|3,0,0]=4 1370 B11R1.86 c1ccc(c(c1)NC(=O)N)F TS41355 [0,0,0,0,0,1|2,0,0]=3 1371 B11R1.86 c1ccc(c(c1)NC(=S)N)Br TS53128 [0,0,0,0,0,1|2,1,0]=4 1372 B11R1.86 c1ccc(c(c1)NC(=S)N)Cl TS15736 [0,0,0,0,0,1|2,1,0]=4 1373 B11R1.86 c1ccc(c(c1)NC(=S)N)F TS12815 [0,0,0,0,0,1|2,1,0]=4 1374 B11R1.86 c1ccc(c(c1)O)OC(F)F TS42114 [0,0,0,0,0,1|2,0,1]=4 1375 B11R1.86 c1cnc(c(n1)CC(=O)O)Cl TS92109 [0,0,0,0,0,1|3,0,0]=4 1376 B8R1.2 C#Cc1ccccc1 TS39865 [2,0,0,0,0,0|1,0,1]=4 1377 B8R1.2 C=Cc1ccccc1 TS04045 [2,0,0,0,0,0|1,0,0]=3 1378 B8R1.2 C=Cc1ccccn1 TS31704 [2,0,0,0,0,0|2,0,0]=4 1379 B8R1.2 C=Cc1cccnc1 TS31705 [2,0,0,0,0,0|2,0,0]=4 1380 B8R1.2 C=Cc1ccncc1 TS33177 [2,0,0,0,0,0|2,0,0]=4 1381 B8R1.2 CCc1ccccc1 TS04102 [2,0,0,0,0,0|1,0,1]=4 1382 B8R1.2 CNc1ccccc1 TS31758 [2,0,0,0,0,0|2,0,0]=4 1383 B8R1.2 CNc1ccccc1 TS40129 [2,0,0,0,0,0|2,0,0]=4 1384 B8R1.2 COc1ccccc1 TS39801 [2,0,0,0,0,0|2,0,0]=4 1385 B8R1.2 CPc1ccccc1 TS32592 [2,0,0,0,0,0|2,0,0]=4 1386 B8R1.2 CSc1ccccc1 TS36022 [2,0,0,0,0,0|2,0,0]=4 1387 B8R1.2 C[NH2+]c1ccccc1 TS49917 [2,0,0,0,0,0|2,0,0]=4 1388 B8R1.2 C[SiH2]c1ccccc1 TS04929 [2,0,0,0,0,0|1,1,0]=4 1389 B8R1.2 [C-]#[N+]c1ccccc1 TS59810 [2,0,0,0,0,0|2,0,0]=4 1390 B8R1.2 c1c(cncn1)C=O TS01668 [2,0,0,0,0,0|2,0,0]=4 1391 B8R1.2 c1cc(cnc1)CO TS92960 [2,0,0,0,0,0|1,0,1]=4 1392 B8R1.2 c1cc(cnc1)CO TS93835 [2,0,0,0,0,0|1,0,1]=4 1393 B8R1.2 c1cc(nnc1)C=O TS59366 [2,0,0,0,0,0|2,0,0]=4 1394 B8R1.2 c1ccc(cc1)C#N TS01882 [2,0,0,0,0,0|1,0,1]=4 1395 B8R1.2 c1ccc(cc1)C#N TS80489 [2,0,0,0,0,0|1,0,1]=4 1396 B8R1.2 c1ccc(cc1)C=O TS43757 [2,0,0,0,0,0|0,0,0]=2 1397 B8R1.2 c1ccc(cc1)CCl TS36191 [2,0,0,0,0,0|1,0,1]=4 1398 B8R1.2 c1ccc(cc1)CF TS31826 [2,0,0,0,0,0|1,0,1]=4 1399 B8R1.2 c1ccc(cc1)CI TS09176 [2,0,0,0,0,0|1,0,1]=4 1400 B8R1.2 c1ccc(cc1)CN TS01379 [2,0,0,0,0,0|1,0,1]=4 1401 B8R1.2 c1ccc(cc1)CN TS40124 [2,0,0,0,0,0|1,0,1]=4 1402 B8R1.2 c1ccc(cc1)CO TS31769 [2,0,0,0,0,0|0,0,1]=3 1403 B8R1.2 c1ccc(cc1)CS TS36023 [2,0,0,0,0,0|0,1,1]=4 1404 B8R1.2 c1ccc(cc1)I=O TS49692 [2,0,0,0,0,0|1,0,0]=3 1405 B8R1.2 c1ccc(cc1)N=O TS31751 [2,0,0,0,0,0|1,0,0]=3 1406 B8R1.2 c1ccc(cc1)NN TS07047 [2,0,0,0,0,0|2,0,0]=4 1407 B8R1.2 c1ccc(cc1)NN TS31771 [2,0,0,0,0,0|2,0,0]=4 1408 B8R1.2 c1ccc(cc1)NN TS61145 [2,0,0,0,0,0|2,0,0]=4 1409 B8R1.2 c1ccc(cc1)NN TS76102 [2,0,0,0,0,0|2,0,0]=4 1410 B8R1.2 c1ccc(cc1)NO TS31793 [2,0,0,0,0,0|1,0,0]=3 1411 B8R1.2 c1ccc(cc1)NO TS37696 [2,0,0,0,0,0|1,0,0]=3 1412 B8R1.2 c1ccc(cc1)ON TS07146 [2,0,0,0,0,0|2,0,0]=4 1413 B8R1.2 c1ccc(cc1)[Hg]Cl TS76590 [2,0,0,0,0,0|2,0,0]=4 1414 B8R1.2 c1ccc(cc1)[Hg]I TS69412 [2,0,0,0,0,0|2,0,0]=4 1415 B8R1.2 c1ccc(cc1)[Mg]Br TS59811 [2,0,0,0,0,0|2,0,0]=4 1416 B8R1.2 c1ccc(cc1)[Mg]Cl TS06150 [2,0,0,0,0,0|2,0,0]=4 1417 B8R1.2 c1ccc(cc1)[Mg]I TS52700 [2,0,0,0,0,0|2,0,0]=4 1418 B8R1.2 c1ccc(cc1)[N+]#N TS27981 [2,0,0,0,0,0|2,0,0]=4 1419 B8R1.2 c1ccnc(c1)C=O TS02469 [2,0,0,0,0,0|1,0,0]=3 1420 B8R1.2 c1ccnc(c1)CO TS07144 [2,0,0,0,0,0|1,0,1]=4 1421 B8R1.2 c1ccnc(c1)CO TS31798 [2,0,0,0,0,0|1,0,1]=4 1422 B8R1.2 c1cnc(cn1)C=O TS31759 [2,0,0,0,0,0|2,0,0]=4 1423 B8R1.2 c1cnc(nc1)C=O TS02479 [2,0,0,0,0,0|2,0,0]=4 1424 B8R1.2 c1cnccc1C=O TS59369 [2,0,0,0,0,0|1,0,0]=3 1425 B8R1.2 c1cnccc1CO TS07149 [2,0,0,0,0,0|1,0,1]=4 1426 B8R1.2 c1cnccc1CO TS71297 [2,0,0,0,0,0|1,0,1]=4 1427 B8R1.2 c1cncnc1C=O TS01666 [2,0,0,0,0,0|2,0,0]=4 1428 B8R1.2 c1cnncc1C=O TS87334 [2,0,0,0,0,0|2,0,0]=4 1429 B8R1.5 Cc1c(cccn1)O TS87617 [2,0,0,0,0,0|1,0,1]=4 1430 B8R1.5 Cc1ccc[nH]c1=O TS55401 [2,0,0,0,0,0|2,0,0]=4 1431 B8R1.5 Cc1ccccc1Br TS00024 [2,0,0,0,0,0|1,0,1]=4 1432 B8R1.5 Cc1ccccc1C TS04099 [2,0,0,0,0,0|1,0,1]=4 1433 B8R1.5 Cc1ccccc1Cl TS36192 [2,0,0,0,0,0|1,0,1]=4 1434 B8R1.5 Cc1ccccc1F TS31828 [2,0,0,0,0,0|1,0,1]=4 1435 B8R1.5 Cc1ccccc1I TS49343 [2,0,0,0,0,0|1,0,1]=4 1436 B8R1.5 Cc1ccccc1N TS40130 [2,0,0,0,0,0|1,0,1]=4 1437 B8R1.5 Cc1ccccc1N TS46845 [2,0,0,0,0,0|1,0,1]=4 1438 B8R1.5 Cc1ccccc1O TS31768 [2,0,0,0,0,0|0,0,1]=3 1439 B8R1.5 Cc1ccccc1S TS05037 [2,0,0,0,0,0|0,1,1]=4 1440 B8R1.5 Cc1ccccn1=O TS00106 [2,0,0,0,0,0|2,0,0]=4 1441 B8R1.5 Cc1cccnc1O TS31800 [2,0,0,0,0,0|1,0,1]=4 1442 B8R1.5 Cc1ccncc1O TS03183 [2,0,0,0,0,0|1,0,1]=4 1443 B8R1.5 Cc1cnccc1O TS70666 [2,0,0,0,0,0|1,0,1]=4 1444 B8R1.5 Cn1ccccc1=O TS31799 [2,0,0,0,0,0|2,0,0]=4 1445 B8R1.5 c1c(c(=O)nc[nH]1)O TS03331 [2,0,0,0,0,0|2,0,0]=4 1446 B8R1.5 c1c[nH]cc(c1=O)I TS23215 [2,0,0,0,0,0|2,0,0]=4 1447 B8R1.5 c1cc(c(=O)oc1)O TS00155 [2,0,0,0,0,0|1,0,0]=3 1448 B8R1.5 c1cc(c(nc1)Br)O TS08304 [2,0,0,0,0,0|2,0,0]=4 1449 B8R1.5 c1cc(c(nc1)Cl)O TS05504 [2,0,0,0,0,0|2,0,0]=4 1450 B8R1.5 c1cc(c(nc1)F)O TS55326 [2,0,0,0,0,0|2,0,0]=4 1451 B8R1.5 c1cc(c(nc1)I)O TS01068 [2,0,0,0,0,0|2,0,0]=4 1452 B8R1.5 c1cc(c(nc1)N)O TS07282 [2,0,0,0,0,0|2,0,0]=4 1453 B8R1.5 c1cc(c(nc1)N)O TS47366 [2,0,0,0,0,0|2,0,0]=4 1454 B8R1.5 c1cc(c(nc1)O)Br TS09496 [2,0,0,0,0,0|2,0,0]=4 1455 B8R1.5 c1cc(c(nc1)O)Cl TS65974 [2,0,0,0,0,0|2,0,0]=4 1456 B8R1.5 c1cc(c(nc1)O)F TS70564 [2,0,0,0,0,0|2,0,0]=4 1457 B8R1.5 c1cc(c(nc1)O)N TS31820 [2,0,0,0,0,0|2,0,0]=4 1458 B8R1.5 c1cc(c(nc1)O)O TS04242 [2,0,0,0,0,0|1,0,0]=3 1459 B8R1.5 c1cc(c(nc1)S)O TS05265 [2,0,0,0,0,0|1,1,0]=4 1460 B8R1.5 c1cc[n+](c(c1)O)[O-] TS93221 [2,0,0,0,0,0|1,0,1]=4 1461 B8R1.5 c1ccc(c(c1)Br)Br TS46780 [2,0,0,0,0,0|2,0,0]=4 1462 B8R1.5 c1ccc(c(c1)Br)I TS65287 [2,0,0,0,0,0|2,0,0]=4 1463 B8R1.5 c1ccc(c(c1)Cl)Br TS00021 [2,0,0,0,0,0|2,0,0]=4 1464 B8R1.5 c1ccc(c(c1)Cl)Cl TS40486 [2,0,0,0,0,0|2,0,0]=4 1465 B8R1.5 c1ccc(c(c1)Cl)I TS26261 [2,0,0,0,0,0|2,0,0]=4 1466 B8R1.5 c1ccc(c(c1)Cl)[Zn+] TS59237 [2,0,0,0,0,0|2,0,0]=4 1467 B8R1.5 c1ccc(c(c1)F)Br TS46916 [2,0,0,0,0,0|2,0,0]=4 1468 B8R1.5 c1ccc(c(c1)F)Cl TS02147 [2,0,0,0,0,0|2,0,0]=4 1469 B8R1.5 c1ccc(c(c1)F)F TS07875 [2,0,0,0,0,0|2,0,0]=4 1470 B8R1.5 c1ccc(c(c1)F)I TS65430 [2,0,0,0,0,0|2,0,0]=4 1471 B8R1.5 c1ccc(c(c1)F)S TS46406 [2,0,0,0,0,0|1,1,0]=4 1472 B8R1.5 c1ccc(c(c1)I)I TS65275 [2,0,0,0,0,0|2,0,0]=4 1473 B8R1.5 c1ccc(c(c1)N)Br TS20655 [2,0,0,0,0,0|2,0,0]=4 1474 B8R1.5 c1ccc(c(c1)N)Br TS55149 [2,0,0,0,0,0|2,0,0]=4 1475 B8R1.5 c1ccc(c(c1)N)F TS39663 [2,0,0,0,0,0|2,0,0]=4 1476 B8R1.5 c1ccc(c(c1)N)I TS01078 [2,0,0,0,0,0|2,0,0]=4 1477 B8R1.5 c1ccc(c(c1)N)N TS31770 [2,0,0,0,0,0|2,0,0]=4 1478 B8R1.5 c1ccc(c(c1)N)N TS38979 [2,0,0,0,0,0|2,0,0]=4 1479 B8R1.5 c1ccc(c(c1)N)N TS48029 [2,0,0,0,0,0|2,0,0]=4 1480 B8R1.5 c1ccc(c(c1)N)O TS00817 [2,0,0,0,0,0|1,0,0]=3 1481 B8R1.5 c1ccc(c(c1)N)O TS07143 [2,0,0,0,0,0|1,0,0]=3 1482 B8R1.5 c1ccc(c(c1)N)O TS76832 [2,0,0,0,0,0|1,0,0]=3 1483 B8R1.5 c1ccc(c(c1)N)S TS47467 [2,0,0,0,0,0|1,1,0]=4 1484 B8R1.5 c1ccc(c(c1)O)Br TS00855 [2,0,0,0,0,0|1,0,0]=3 1485 B8R1.5 c1ccc(c(c1)O)Cl TS36378 [2,0,0,0,0,0|1,0,0]=3 1486 B8R1.5 c1ccc(c(c1)O)F TS04282 [2,0,0,0,0,0|1,0,0]=3 1487 B8R1.5 c1ccc(c(c1)O)I TS49691 [2,0,0,0,0,0|1,0,0]=3 1488 B8R1.5 c1ccc(c(c1)O)O TS01670 [2,0,0,0,0,0|0,0,0]=2 1489 B8R1.5 c1ccc(c(c1)O)S TS36136 [2,0,0,0,0,0|0,1,0]=3 1490 B8R1.5 c1ccc(c(c1)P)P TS06642 [2,0,0,0,0,0|2,0,0]=4 1491 B8R1.5 c1ccc(c(c1)S)Br TS50856 [2,0,0,0,0,0|1,1,0]=4 1492 B8R1.5 c1ccc(c(c1)S)Cl TS07050 [2,0,0,0,0,0|1,1,0]=4 1493 B8R1.5 c1ccc(c(c1)S)S TS06772 [2,0,0,0,0,0|0,2,0]=4 1494 B8R1.5 c1ccn(=O)c(c1)Br TS07709 [2,0,0,0,0,0|2,0,0]=4 1495 B8R1.5 c1ccn(=O)c(c1)Br TS43892 [2,0,0,0,0,0|2,0,0]=4 1496 B8R1.5 c1ccn(=O)c(c1)Cl TS42984 [2,0,0,0,0,0|2,0,0]=4 1497 B8R1.5 c1ccn(=O)c(c1)Cl TS85343 [2,0,0,0,0,0|2,0,0]=4 1498 B8R1.5 c1ccn(=O)c(c1)N TS04192 [2,0,0,0,0,0|2,0,0]=4 1499 B8R1.5 c1ccn(=O)c(c1)O TS04239 [2,0,0,0,0,0|1,0,0]=3 1500 B8R1.5 c1ccn(=O)c(c1)[S-] TS07545 [2,0,0,0,0,0|1,1,0]=4 1501 B8R1.5 c1cnc(c(n1)O)O TS04272 [2,0,0,0,0,0|2,0,0]=4 1502 B8R1.5 c1cncc(c1Br)O TS09582 [2,0,0,0,0,0|2,0,0]=4 1503 B8R1.5 c1cncc(c1Cl)O TS09640 [2,0,0,0,0,0|2,0,0]=4 1504 B8R1.5 c1cncc(c1O)Br TS09465 [2,0,0,0,0,0|2,0,0]=4 1505 B8R1.5 c1cncc(c1O)Cl TS02695 [2,0,0,0,0,0|2,0,0]=4 1506 B8R1.5 c1cncc(c1O)F TS02748 [2,0,0,0,0,0|2,0,0]=4 1507 B8R1.5 c1cncc(c1O)N TS65860 [2,0,0,0,0,0|2,0,0]=4 1508 B8R1.5 c1cncc(c1O)O TS59374 [2,0,0,0,0,0|1,0,0]=3 1509 B10R1.13 B(c1ccc(cc1)Br)(O)O TS71004 [1,1,0,0,0,0|1,0,1]=4 1510 B10R1.13 B(c1ccc(cc1)C)(O)O TS06030 [1,1,0,0,0,0|1,0,1]=4 1511 B10R1.13 B(c1ccc(cc1)Cl)(O)O TS10782 [1,1,0,0,0,0|1,0,1]=4 1512 B10R1.13 B(c1ccc(cc1)I)(O)O TS93847 [1,1,0,0,0,0|1,0,1]=4 1513 B10R1.13 B(c1ccc(cc1)N)(O)O TS94631 [1,1,0,0,0,0|1,0,1]=4 1514 B10R1.13 B(c1ccc(cc1)O)(O)O TS94040 [1,1,0,0,0,0|1,0,1]=4 1515 B10R1.13 B(c1ccc(cc1)S)(O)O TS71196 [1,1,0,0,0,0|1,0,1]=4 1516 B10R1.13 CC(=C)c1ccc(cc1)Cl TS41219 [1,1,0,0,0,0|2,0,0]=4 1517 B10R1.13 CC(=C)c1ccc(cc1)F TS36996 [1,1,0,0,0,0|2,0,0]=4 1518 B10R1.13 CC(=O)c1ccc(cc1)Cl TS71057 [1,1,0,0,0,0|1,0,0]=3 1519 B10R1.13 CC(=O)c1ccc(cc1)F TS93776 [1,1,0,0,0,0|1,0,0]=3 1520 B10R1.13 CC(=O)c1ccc(cc1)I TS71192 [1,1,0,0,0,0|1,0,0]=3 1521 B10R1.13 CC(=O)c1ccc(cc1)N TS39574 [1,1,0,0,0,0|1,0,0]=3 1522 B10R1.13 CC(=O)c1ccc(cc1)N TS45381 [1,1,0,0,0,0|1,0,0]=3 1523 B10R1.13 CC(=O)c1ccc(cn1)Br TS08248 [1,1,0,0,0,0|2,0,0]=4 1524 B10R1.13 CC(=O)c1ccc(cn1)O TS33043 [1,1,0,0,0,0|2,0,0]=4 1525 B10R1.13 CC(=O)c1ccc(nc1)Br TS46737 [1,1,0,0,0,0|2,0,0]=4 1526 B10R1.13 CC(=O)c1ccc(nc1)F TS46740 [1,1,0,0,0,0|2,0,0]=4 1527 B10R1.13 CC(=O)c1ccn(=O)cc1 TS06168 [1,1,0,0,0,0|2,0,0]=4 1528 B10R1.13 CC(c1ccc(cc1)Cl)O TS10801 [1,1,0,0,0,0|1,0,1]=4 1529 B10R1.13 CC(c1ccc(cc1)F)O TS46723 [1,1,0,0,0,0|1,0,1]=4 1530 B10R1.13 CC(c1ccc(cc1)N)O TS37111 [1,1,0,0,0,0|1,0,1]=4 1531 B10R1.13 CC(c1ccc(cc1)O)O TS06269 [1,1,0,0,0,0|1,0,1]=4 1532 B10R1.13 CS(=O)c1ccc(cc1)Br TS49559 [1,1,0,0,0,0|2,0,0]=4 1533 B10R1.13 CS(=O)c1ccc(cc1)Cl TS45877 [1,1,0,0,0,0|2,0,0]=4 1534 B10R1.13 CS(=O)c1ccc(cc1)O TS10695 [1,1,0,0,0,0|2,0,0]=4 1535 B10R1.13 C[C@@H](c1ccc(cc1)Br)O TS38046 [1,1,0,0,0,0|1,0,1]=4 1536 B10R1.13 C[C@@H](c1ccc(cc1)Cl)O TS41711 [1,1,0,0,0,0|1,0,1]=4 1537 B10R1.13 C[C@@H](c1ccc(cc1)F)O TS06456 [1,1,0,0,0,0|1,0,1]=4 1538 B10R1.13 C[C@H](c1ccc(cc1)Br)O TS38043 [1,1,0,0,0,0|1,0,1]=4 1539 B10R1.13 C[C@H](c1ccc(cc1)Cl)O TS41729 [1,1,0,0,0,0|1,0,1]=4 1540 B10R1.13 C[C@H](c1ccc(cc1)F)O TS06452 [1,1,0,0,0,0|1,0,1]=4 1541 B10R1.13 C[n+]1ccc(cc1)C(=O)O TS13411 [1,1,0,0,0,0|1,0,0]=3 1542 B10R1.13 Cc1ccc(cc1)C(=C)C TS36715 [1,1,0,0,0,0|2,0,0]=4 1543 B10R1.13 Cc1ccc(cc1)C(=N)N TS12939 [1,1,0,0,0,0|2,0,0]=4 1544 B10R1.13 Cc1ccc(cc1)C(=O)C TS03169 [1,1,0,0,0,0|1,0,0]=3 1545 B10R1.13 Cc1ccc(cc1)C(=O)Cl TS01653 [1,1,0,0,0,0|1,0,0]=3 1546 B10R1.13 Cc1ccc(cc1)C(=O)N TS36926 [1,1,0,0,0,0|1,0,0]=3 1547 B10R1.13 Cc1ccc(cc1)C(=O)O TS39764 [1,1,0,0,0,0|0,0,0]=2 1548 B10R1.13 Cc1ccc(cc1)C(=S)N TS41055 [1,1,0,0,0,0|1,1,0]=4 1549 B10R1.13 Cc1ccc(cc1)C(C)O TS37018 [1,1,0,0,0,0|1,0,1]=4 1550 B10R1.13 Cc1ccc(cc1)S(=O)C TS10470 [1,1,0,0,0,0|2,0,0]=4 1551 B10R1.13 Cc1ccc(cc1)S(=O)C TS10472 [1,1,0,0,0,0|2,0,0]=4 1552 B10R1.13 Cc1ccc(cc1)S(=O)Cl TS45876 [1,1,0,0,0,0|2,0,0]=4 1553 B10R1.13 Cc1ccc(cc1)S(=O)N TS10591 [1,1,0,0,0,0|2,0,0]=4 1554 B10R1.13 Cc1ccc(cc1)S(=O)N TS10598 [1,1,0,0,0,0|2,0,0]=4 1555 B10R1.13 Cc1ccc(cc1)S(=O)[O-] TS39762 [1,1,0,0,0,0|1,0,1]=4 1556 B10R1.13 Cc1ccc(cc1)S(=O)[O-] TS42392 [1,1,0,0,0,0|1,0,1]=4 1557 B10R1.13 Cc1ccc(cc1)S(=O)[O-] TS67027 [1,1,0,0,0,0|1,0,1]=4 1558 B10R1.13 Cc1ccc(cc1)[N+](=O)[O-] TS37094 [1,1,0,0,0,0|1,0,1]=4 1559 B10R1.13 Cc1ccc(cn1)C(=O)C TS03210 [1,1,0,0,0,0|2,0,0]=4 1560 B10R1.13 Cc1ccc(cn1)C(=O)N TS06052 [1,1,0,0,0,0|2,0,0]=4 1561 B10R1.13 Cc1ccc(cn1)C(=O)O TS01267 [1,1,0,0,0,0|1,0,0]=3 1562 B10R1.13 Cc1ccc(nc1)C(=O)C TS36938 [1,1,0,0,0,0|2,0,0]=4 1563 B10R1.13 Cc1ccc(nc1)C(=O)O TS01161 [1,1,0,0,0,0|1,0,0]=3 1564 B10R1.13 Cc1cnc(cn1)C(=O)O TS01145 [1,1,0,0,0,0|2,0,0]=4 1565 B10R1.13 Cc1cnc(nc1)C(=O)O TS90420 [1,1,0,0,0,0|2,0,0]=4 1566 B10R1.13 Cc1ncc(cn1)C(=O)O TS02452 [1,1,0,0,0,0|2,0,0]=4 1567 B10R1.13 c1c(cnc(n1)C(=O)O)Br TS38365 [1,1,0,0,0,0|2,0,0]=4 1568 B10R1.13 c1c(cnc(n1)C(=O)O)Br TS81900 [1,1,0,0,0,0|2,0,0]=4 1569 B10R1.13 c1c(cnc(n1)C(=O)O)Cl TS86274 [1,1,0,0,0,0|2,0,0]=4 1570 B10R1.13 c1c(cnc(n1)C(=O)O)F TS90778 [1,1,0,0,0,0|2,0,0]=4 1571 B10R1.13 c1c(cnc(n1)C(=O)O)N TS71387 [1,1,0,0,0,0|2,0,0]=4 1572 B10R1.13 c1c(cnc(n1)Cl)C(=O)O TS00962 [1,1,0,0,0,0|2,0,0]=4 1573 B10R1.13 c1c(cnc(n1)N)C(=O)O TS00824 [1,1,0,0,0,0|2,0,0]=4 1574 B10R1.13 c1c(cnc(n1)O)C(=O)O TS86644 [1,1,0,0,0,0|2,0,0]=4 1575 B10R1.13 c1c(ncc(n1)Cl)C(=O)O TS71521 [1,1,0,0,0,0|2,0,0]=4 1576 B10R1.13 c1c(ncc(n1)N)C(=O)O TS47452 [1,1,0,0,0,0|2,0,0]=4 1577 B10R1.13 c1c(ncc(n1)O)C(=O)O TS03342 [1,1,0,0,0,0|2,0,0]=4 1578 B10R1.13 c1cc(=O)[nH]nc1C(=O)O TS16305 [1,1,0,0,0,0|2,0,0]=4 1579 B10R1.13 c1cc(=O)occ1C(=O)O TS06408 [1,1,0,0,0,0|1,0,0]=3 1580 B10R1.13 c1cc(ccc1C(=N)N)Br TS09590 [1,1,0,0,0,0|2,0,0]=4 1581 B10R1.13 c1cc(ccc1C(=N)N)Br TS39740 [1,1,0,0,0,0|2,0,0]=4 1582 B10R1.13 c1cc(ccc1C(=N)N)Cl TS33150 [1,1,0,0,0,0|2,0,0]=4 1583 B10R1.13 c1cc(ccc1C(=N)N)Cl TS54571 [1,1,0,0,0,0|2,0,0]=4 1584 B10R1.13 c1cc(ccc1C(=N)N)Cl TS71058 [1,1,0,0,0,0|2,0,0]=4 1585 B10R1.13 c1cc(ccc1C(=N)N)F TS03080 [1,1,0,0,0,0|2,0,0]=4 1586 B10R1.13 c1cc(ccc1C(=N)N)I TS54570 [1,1,0,0,0,0|2,0,0]=4 1587 B10R1.13 c1cc(ccc1C(=N)N)N TS45388 [1,1,0,0,0,0|2,0,0]=4 1588 B10R1.13 c1cc(ccc1C(=N)N)N TS70909 [1,1,0,0,0,0|2,0,0]=4 1589 B10R1.13 c1cc(ccc1C(=N)N)O TS59618 [1,1,0,0,0,0|2,0,0]=4 1590 B10R1.13 c1cc(ccc1C(=O)Cl)Br TS49661 [1,1,0,0,0,0|1,0,0]=3 1591 B10R1.13 c1cc(ccc1C(=O)Cl)Cl TS33153 [1,1,0,0,0,0|1,0,0]=3 1592 B10R1.13 c1cc(ccc1C(=O)Cl)F TS03086 [1,1,0,0,0,0|1,0,0]=3 1593 B10R1.13 c1cc(ccc1C(=O)Cl)I TS07802 [1,1,0,0,0,0|1,0,0]=3 1594 B10R1.13 c1cc(ccc1C(=O)N)Br TS18936 [1,1,0,0,0,0|1,0,0]=3 1595 B10R1.13 c1cc(ccc1C(=O)N)Cl TS10614 [1,1,0,0,0,0|1,0,0]=3 1596 B10R1.13 c1cc(ccc1C(=O)N)F TS37268 [1,1,0,0,0,0|1,0,0]=3 1597 B10R1.13 c1cc(ccc1C(=O)N)I TS71195 [1,1,0,0,0,0|1,0,0]=3 1598 B10R1.13 c1cc(ccc1C(=O)N)N TS39733 [1,1,0,0,0,0|1,0,0]=3 1599 B10R1.13 c1cc(ccc1C(=O)N)O TS71168 [1,1,0,0,0,0|1,0,0]=3 1600 B10R1.13 c1cc(ccc1C(=O)O)Br TS09594 [1,1,0,0,0,0|0,0,0]=2 1601 B10R1.13 c1cc(ccc1C(=O)O)Cl TS10787 [1,1,0,0,0,0|0,0,0]=2 1602 B10R1.13 c1cc(ccc1C(=O)O)F TS03084 [1,1,0,0,0,0|0,0,0]=2 1603 B10R1.13 c1cc(ccc1C(=O)O)I TS09716 [1,1,0,0,0,0|0,0,0]=2 1604 B10R1.13 c1cc(ccc1C(=O)O)N TS08869 [1,1,0,0,0,0|0,0,0]=2 1605 B10R1.13 c1cc(ccc1C(=O)O)N TS13413 [1,1,0,0,0,0|0,0,0]=2 1606 B10R1.13 c1cc(ccc1C(=O)O)O TS09131 [1,1,0,0,0,0|0,0,0]=2 1607 B10R1.13 c1cc(ccc1C(=O)O)S TS39758 [1,1,0,0,0,0|0,0,0]=2 1608 B10R1.13 c1cc(ccc1C(=O)[O-])Cl TS14298 [1,1,0,0,0,0|0,0,1]=3 1609 B10R1.13 c1cc(ccc1C(=O)[O-])F TS11488 [1,1,0,0,0,0|0,0,1]=3 1610 B10R1.13 c1cc(ccc1C(=O)[O-])N TS58696 [1,1,0,0,0,0|0,0,1]=3 1611 B10R1.13 c1cc(ccc1C(=O)[O-])O TS42110 [1,1,0,0,0,0|0,0,1]=3 1612 B10R1.13 c1cc(ccc1C(=O)[O-])O TS46099 [1,1,0,0,0,0|0,0,1]=3 1613 B10R1.13 c1cc(ccc1C(=S)N)Br TS21979 [1,1,0,0,0,0|1,1,0]=4 1614 B10R1.13 c1cc(ccc1C(=S)N)Cl TS09015 [1,1,0,0,0,0|1,1,0]=4 1615 B10R1.13 c1cc(ccc1C(=S)N)F TS41515 [1,1,0,0,0,0|1,1,0]=4 1616 B10R1.13 c1cc(ccc1C(=S)N)N TS10202 [1,1,0,0,0,0|1,1,0]=4 1617 B10R1.13 c1cc(ccc1C(=S)N)O TS03140 [1,1,0,0,0,0|1,1,0]=4 1618 B10R1.13 c1cc(ccc1Cl)[Se](=O)O TS50375 [1,1,0,0,0,0|1,0,0]=3 1619 B10R1.13 c1cc(ccc1F)S(=O)[O-] TS01688 [1,1,0,0,0,0|1,0,1]=4 1620 B10R1.13 c1cc(ccc1N(=O)=O)F TS03096 [1,1,0,0,0,0|1,0,1]=4 1621 B10R1.13 c1cc(ccc1N)[N+](=O)[O-] TS09744 [1,1,0,0,0,0|1,0,1]=4 1622 B10R1.13 c1cc(ccc1S(=O)[O-])Br TS54208 [1,1,0,0,0,0|1,0,1]=4 1623 B10R1.13 c1cc(ccc1S(=O)[O-])Cl TS18735 [1,1,0,0,0,0|1,0,1]=4 1624 B10R1.13 c1cc(ccc1[N+](=O)[O-])Br TS00415 [1,1,0,0,0,0|1,0,1]=4 1625 B10R1.13 c1cc(ccc1[N+](=O)[O-])Cl TS41832 [1,1,0,0,0,0|1,0,1]=4 1626 B10R1.13 c1cc(ccc1[N+](=O)[O-])I TS09204 [1,1,0,0,0,0|1,0,1]=4 1627 B10R1.13 c1cc(ccc1[N+](=O)[O-])O TS06354 [1,1,0,0,0,0|1,0,1]=4 1628 B10R1.13 c1cc(ccc1[N+](=O)[O-])O TS92945 [1,1,0,0,0,0|1,0,1]=4 1629 B10R1.13 c1cc(ccc1[N+](=O)[O-])S TS41511 [1,1,0,0,0,0|1,0,1]=4 1630 B10R1.13 c1cc(ncc1Br)C(=O)Cl TS49866 [1,1,0,0,0,0|2,0,0]=4 1631 B10R1.13 c1cc(ncc1Br)C(=O)N TS16791 [1,1,0,0,0,0|2,0,0]=4 1632 B10R1.13 c1cc(ncc1Br)C(=O)O TS71440 [1,1,0,0,0,0|1,0,0]=3 1633 B10R1.13 c1cc(ncc1C(=O)Cl)Cl TS46030 [1,1,0,0,0,0|2,0,0]=4 1634 B10R1.13 c1cc(ncc1C(=O)N)Cl TS85258 [1,1,0,0,0,0|2,0,0]=4 1635 B10R1.13 c1cc(ncc1C(=O)N)N TS06177 [1,1,0,0,0,0|2,0,0]=4 1636 B10R1.13 c1cc(ncc1C(=O)O)Br TS16472 [1,1,0,0,0,0|1,0,0]=3 1637 B10R1.13 c1cc(ncc1C(=O)O)Cl TS55579 [1,1,0,0,0,0|1,0,0]=3 1638 B10R1.13 c1cc(ncc1C(=O)O)F TS01231 [1,1,0,0,0,0|1,0,0]=3 1639 B10R1.13 c1cc(ncc1C(=O)O)N TS01208 [1,1,0,0,0,0|1,0,0]=3 1640 B10R1.13 c1cc(ncc1C(=O)O)N TS45868 [1,1,0,0,0,0|1,0,0]=3 1641 B10R1.13 c1cc(ncc1C(=O)O)O TS87251 [1,1,0,0,0,0|1,0,0]=3 1642 B10R1.13 c1cc(ncc1C(=O)O)S TS41509 [1,1,0,0,0,0|1,0,0]=3 1643 B10R1.13 c1cc(ncc1Cl)C(=O)O TS03261 [1,1,0,0,0,0|1,0,0]=3 1644 B10R1.13 c1cc(ncc1F)C(=O)O TS03309 [1,1,0,0,0,0|1,0,0]=3 1645 B10R1.13 c1cc(ncc1N)C(=O)N TS39339 [1,1,0,0,0,0|2,0,0]=4 1646 B10R1.13 c1cc(ncc1N)C(=O)O TS03222 [1,1,0,0,0,0|1,0,0]=3 1647 B10R1.13 c1cc(ncc1N)C(=O)O TS45870 [1,1,0,0,0,0|1,0,0]=3 1648 B10R1.13 c1cc(ncc1O)C(=O)O TS03341 [1,1,0,0,0,0|1,0,0]=3 1649 B10R1.13 c1cc(nnc1C(=O)O)Cl TS55585 [1,1,0,0,0,0|2,0,0]=4 1650 B10R1.13 c1cc(nnc1C(=O)O)N TS01212 [1,1,0,0,0,0|2,0,0]=4 1651 B10R1.13 c1cc(nnc1C(=O)O)O TS88093 [1,1,0,0,0,0|2,0,0]=4 1652 B10R1.13 c1cn(=O)ccc1C(=O)O TS39932 [1,1,0,0,0,0|1,0,0]=3 1653 B10R1.15 C#CC(c1ccccc1)O TS36663 [1,1,0,0,0,0|1,0,1]=4 1654 B10R1.15 C=C(CO)c1ccncc1 TS36912 [1,1,0,0,0,0|2,0,0]=4 1655 B10R1.15 C=CC(c1ccccc1)O TS36829 [1,1,0,0,0,0|1,0,1]=4 1656 B10R1.15 C=CS(=O)c1ccccc1 TS41168 [1,1,0,0,0,0|2,0,0]=4 1657 B10R1.15 C=C[C@@H](c1ccccc1)O TS36848 [1,1,0,0,0,0|1,0,1]=4 1658 B10R1.15 C=C[C@H](c1ccccc1)O TS36828 [1,1,0,0,0,0|1,0,1]=4 1659 B10R1.15 CC(=NN)c1ccccc1 TS05912 [1,1,0,0,0,0|2,0,0]=4 1660 B10R1.15 CC(=NO)c1ccccc1 TS36930 [1,1,0,0,0,0|1,0,0]=3 1661 B10R1.15 CC(=NO)c1cccnc1 TS06046 [1,1,0,0,0,0|2,0,0]=4 1662 B10R1.15 CC(=NO)c1ccncc1 TS06055 [1,1,0,0,0,0|2,0,0]=4 1663 B10R1.15 CC(CO)c1ccccc1 TS06093 [1,1,0,0,0,0|1,0,1]=4 1664 B10R1.15 CC=C(C)c1ccccc1 TS36697 [1,1,0,0,0,0|2,0,0]=4 1665 B10R1.15 CCC(=C)c1ccccc1 TS36703 [1,1,0,0,0,0|2,0,0]=4 1666 B10R1.15 CCC(=O)c1ccccc1 TS00059 [1,1,0,0,0,0|1,0,0]=3 1667 B10R1.15 CCC(=O)c1ccccn1 TS36934 [1,1,0,0,0,0|2,0,0]=4 1668 B10R1.15 CCC(=O)c1cccnc1 TS36927 [1,1,0,0,0,0|2,0,0]=4 1669 B10R1.15 CCC(=O)c1ccncc1 TS36919 [1,1,0,0,0,0|2,0,0]=4 1670 B10R1.15 CCC(c1ccccc1)O TS37007 [1,1,0,0,0,0|1,0,1]=4 1671 B10R1.15 CC[C@H](c1ccccc1)O TS00311 [1,1,0,0,0,0|1,0,1]=4 1672 B10R1.15 CN(C=O)c1ccccc1 TS36925 [1,1,0,0,0,0|2,0,0]=4 1673 B10R1.15 CN(c1ccccc1)N=O TS06063 [1,1,0,0,0,0|2,0,0]=4 1674 B10R1.15 CNC(=O)c1ccccc1 TS01597 [1,1,0,0,0,0|1,0,0]=3 1675 B10R1.15 CNC(=O)c1cccnc1 TS06060 [1,1,0,0,0,0|2,0,0]=4 1676 B10R1.15 COC(=N)c1ccccc1 TS45386 [1,1,0,0,0,0|1,0,0]=3 1677 B10R1.15 COC(=N)c1ccccn1 TS02314 [1,1,0,0,0,0|2,0,0]=4 1678 B10R1.15 COC(=O)N1CC=CC=C1 TS06359 [1,1,0,0,0,0|1,0,1]=4 1679 B10R1.15 COC(=O)c1ccccc1 TS00163 [1,1,0,0,0,0|0,0,0]=2 1680 B10R1.15 COC(=O)c1ccccn1 TS06161 [1,1,0,0,0,0|1,0,0]=3 1681 B10R1.15 COC(=O)c1cccnc1 TS37100 [1,1,0,0,0,0|1,0,0]=3 1682 B10R1.15 COC(=O)c1cccnn1 TS90030 [1,1,0,0,0,0|2,0,0]=4 1683 B10R1.15 COC(=O)c1ccncc1 TS06163 [1,1,0,0,0,0|1,0,0]=3 1684 B10R1.15 COC(=O)c1ccncn1 TS59823 [1,1,0,0,0,0|2,0,0]=4 1685 B10R1.15 COC(=O)c1ccnnc1 TS90861 [1,1,0,0,0,0|2,0,0]=4 1686 B10R1.15 COC(=O)c1cncnc1 TS01558 [1,1,0,0,0,0|2,0,0]=4 1687 B10R1.15 COC(=O)c1ncccn1 TS01557 [1,1,0,0,0,0|2,0,0]=4 1688 B10R1.15 COS(=O)c1ccccc1 TS10693 [1,1,0,0,0,0|1,0,0]=3 1689 B10R1.15 C[C@@H](CO)c1ccccc1 TS37012 [1,1,0,0,0,0|1,0,1]=4 1690 B10R1.15 C[C@@H](c1ccccc1)NO TS37112 [1,1,0,0,0,0|1,0,1]=4 1691 B10R1.15 C[C@H](CO)c1ccccc1 TS37011 [1,1,0,0,0,0|1,0,1]=4 1692 B10R1.15 C[C@H](c1ccccc1)NO TS06188 [1,1,0,0,0,0|1,0,1]=4 1693 B10R1.15 c1cc(cnc1)C(=NO)N TS08672 [1,1,0,0,0,0|2,0,0]=4 1694 B10R1.15 c1cc(cnc1)C(=O)CBr TS09434 [1,1,0,0,0,0|2,0,0]=4 1695 B10R1.15 c1cc(cnc1)C(=O)CCl TS94820 [1,1,0,0,0,0|2,0,0]=4 1696 B10R1.15 c1cc(cnc1)C(=O)NN TS56400 [1,1,0,0,0,0|2,0,0]=4 1697 B10R1.15 c1cc(cnc1)C(=O)NO TS37159 [1,1,0,0,0,0|1,0,0]=3 1698 B10R1.15 c1ccc(cc1)C(=CBr)Br TS29726 [1,1,0,0,0,0|2,0,0]=4 1699 B10R1.15 c1ccc(cc1)C(=NN)Cl TS41464 [1,1,0,0,0,0|2,0,0]=4 1700 B10R1.15 c1ccc(cc1)C(=NO)Cl TS10615 [1,1,0,0,0,0|1,0,0]=3 1701 B10R1.15 c1ccc(cc1)C(=O)C#N TS05650 [1,1,0,0,0,0|1,0,0]=3 1702 B10R1.15 c1ccc(cc1)C(=O)C=O TS36799 [1,1,0,0,0,0|0,0,1]=3 1703 B10R1.15 c1ccc(cc1)C(=O)CBr TS55148 [1,1,0,0,0,0|1,0,0]=3 1704 B10R1.15 c1ccc(cc1)C(=O)CCl TS10529 [1,1,0,0,0,0|1,0,0]=3 1705 B10R1.15 c1ccc(cc1)C(=O)CN TS47462 [1,1,0,0,0,0|1,0,0]=3 1706 B10R1.15 c1ccc(cc1)C(=O)CO TS55394 [1,1,0,0,0,0|0,0,0]=2 1707 B10R1.15 c1ccc(cc1)C(=O)NN TS55745 [1,1,0,0,0,0|1,0,0]=3 1708 B10R1.15 c1ccc(cc1)C(=O)NO TS37093 [1,1,0,0,0,0|0,0,0]=2 1709 B10R1.15 c1ccc(cc1)C(=O)N[O-] TS11100 [1,1,0,0,0,0|0,0,1]=3 1710 B10R1.15 c1ccc(cc1)C(=O)N[O-] TS13711 [1,1,0,0,0,0|0,0,1]=3 1711 B10R1.15 c1ccc(cc1)C(CBr)O TS08926 [1,1,0,0,0,0|1,0,1]=4 1712 B10R1.15 c1ccc(cc1)C(CN)O TS45701 [1,1,0,0,0,0|1,0,1]=4 1713 B10R1.15 c1ccc(cc1)C(CN)O TS93680 [1,1,0,0,0,0|1,0,1]=4 1714 B10R1.15 c1ccc(cc1)C(CO)N TS37105 [1,1,0,0,0,0|1,0,1]=4 1715 B10R1.15 c1ccc(cc1)C(CO)O TS06242 [1,1,0,0,0,0|0,0,2]=4 1716 B10R1.15 c1ccc(cc1)N(N=O)[O-] TS10566 [1,1,0,0,0,0|1,0,1]=4 1717 B10R1.15 c1ccc(cc1)N(N=O)[O-] TS70284 [1,1,0,0,0,0|1,0,1]=4 1718 B10R1.15 c1ccc(cc1)S(=O)CCl TS45878 [1,1,0,0,0,0|2,0,0]=4 1719 B10R1.15 c1ccc(cc1)[C@@H](CCl)O TS10799 [1,1,0,0,0,0|1,0,1]=4 1720 B10R1.15 c1ccc(cc1)[C@@H](CN)O TS64977 [1,1,0,0,0,0|1,0,1]=4 1721 B10R1.15 c1ccc(cc1)[C@@H](CO)N TS06187 [1,1,0,0,0,0|1,0,1]=4 1722 B10R1.15 c1ccc(cc1)[C@@H](CO)O TS08646 [1,1,0,0,0,0|0,0,2]=4 1723 B10R1.15 c1ccc(cc1)[C@H](C#N)O TS36753 [1,1,0,0,0,0|1,0,1]=4 1724 B10R1.15 c1ccc(cc1)[C@H](CCl)O TS41718 [1,1,0,0,0,0|1,0,1]=4 1725 B10R1.15 c1ccc(cc1)[C@H](CN)O TS08918 [1,1,0,0,0,0|1,0,1]=4 1726 B10R1.15 c1ccc(cc1)[C@H](CO)N TS00302 [1,1,0,0,0,0|1,0,1]=4 1727 B10R1.15 c1ccc(cc1)[C@H](CO)O TS59488 [1,1,0,0,0,0|0,0,2]=4 1728 B10R1.15 c1ccnc(c1)C(=NO)N TS06176 [1,1,0,0,0,0|2,0,0]=4 1729 B10R1.15 c1ccnc(c1)C(=O)CBr TS18939 [1,1,0,0,0,0|2,0,0]=4 1730 B10R1.15 c1ccnc(c1)C(=O)CBr TS55077 [1,1,0,0,0,0|2,0,0]=4 1731 B10R1.15 c1ccnc(c1)C(=O)NN TS06175 [1,1,0,0,0,0|2,0,0]=4 1732 B10R1.15 c1cnccc1C(=NO)N TS77169 [1,1,0,0,0,0|2,0,0]=4 1733 B10R1.15 c1cnccc1C(=O)CBr TS16896 [1,1,0,0,0,0|2,0,0]=4 1734 B10R1.15 c1cnccc1C(=O)NN TS06172 [1,1,0,0,0,0|2,0,0]=4 1735 B10R1.28 CC(C)(c1ccccc1)O TS37014 [1,1,0,0,0,0|1,0,1]=4 1736 B10R1.28 CP(=O)(c1ccccc1)O TS10652 [1,1,0,0,0,0|1,0,0]=3 1737 B10R1.28 CS(=N)(=O)c1ccccc1 TS10592 [1,1,0,0,0,0|2,0,0]=4 1738 B10R1.28 CS(=N)(=O)c1ccccc1 TS10595 [1,1,0,0,0,0|2,0,0]=4 1739 B10R1.28 CS(=O)(=O)c1ccccc1 TS10691 [1,1,0,0,0,0|1,0,1]=4 1740 B10R1.28 c1cc(cnc1)S(=O)(=O)O TS02890 [1,1,0,0,0,0|2,0,0]=4 1741 B10R1.28 c1ccc(cc1)P(=O)(Cl)Cl TS59342 [1,1,0,0,0,0|2,0,0]=4 1742 B10R1.28 c1ccc(cc1)P(=O)(O)O TS29485 [1,1,0,0,0,0|1,0,0]=3 1743 B10R1.28 c1ccc(cc1)P(=O)([O-])[O-] TS38199 [1,1,0,0,0,0|1,0,1]=4 1744 B10R1.28 c1ccc(cc1)S(=O)(=O)Br TS49902 [1,1,0,0,0,0|1,0,1]=4 1745 B10R1.28 c1ccc(cc1)S(=O)(=O)Cl TS13945 [1,1,0,0,0,0|1,0,1]=4 1746 B10R1.28 c1ccc(cc1)S(=O)(=O)F TS11207 [1,1,0,0,0,0|1,0,1]=4 1747 B10R1.28 c1ccc(cc1)S(=O)(=O)N TS39806 [1,1,0,0,0,0|1,0,1]=4 1748 B10R1.28 c1ccc(cc1)S(=O)(=O)O TS10960 [1,1,0,0,0,0|1,0,0]=3 1749 B10R1.28 c1ccc(cc1)S(=O)(=O)O TS24749 [1,1,0,0,0,0|1,0,0]=3 1750 B10R1.28 c1ccc(cc1)S(=O)(=O)[O-] TS14548 [1,1,0,0,0,0|1,0,1]=4 1751 B10R1.28 c1ccc(cc1)S(=O)(=O)[O-] TS18299 [1,1,0,0,0,0|1,0,1]=4 1752 B10R1.28 c1ccc(cc1)S(=O)(=O)[O-] TS34113 [1,1,0,0,0,0|1,0,1]=4 1753 B10R1.28 c1ccc(cc1)S(=O)(=O)[O-] TS60104 [1,1,0,0,0,0|1,0,1]=4 1754 B10R1.28 c1ccc(cc1)S(=O)(=O)[O-] TS80092 [1,1,0,0,0,0|1,0,1]=4 1755 B10R1.28 c1ccc(cc1)S(=O)(=S)[O-] TS18254 [1,1,0,0,0,0|1,0,1]=4 1756 B10R1.28 c1ccnc(c1)S(=O)(=O)O TS59373 [1,1,0,0,0,0|2,0,0]=4 1757 B10R1.28 c1cnccc1S(=O)(=O)O TS11115 [1,1,0,0,0,0|2,0,0]=4 1758 B10R1.113 B(c1cccc(c1)Br)(O)O TS65961 [1,1,0,0,0,0|1,0,1]=4 1759 B10R1.113 B(c1cccc(c1)C)(O)O TS70670 [1,1,0,0,0,0|1,0,1]=4 1760 B10R1.113 B(c1cccc(c1)Cl)(O)O TS02723 [1,1,0,0,0,0|1,0,1]=4 1761 B10R1.113 B(c1cccc(c1)I)(O)O TS93559 [1,1,0,0,0,0|1,0,1]=4 1762 B10R1.113 B(c1cccc(c1)N)(O)O TS85488 [1,1,0,0,0,0|1,0,1]=4 1763 B10R1.113 B(c1cccc(c1)N)(O)O TS94599 [1,1,0,0,0,0|1,0,1]=4 1764 B10R1.113 B(c1cccc(c1)N)(O)O TS94634 [1,1,0,0,0,0|1,0,1]=4 1765 B10R1.113 B(c1cccc(c1)N)(O)O TS94676 [1,1,0,0,0,0|1,0,1]=4 1766 B10R1.113 B(c1cccc(c1)O)(O)O TS02793 [1,1,0,0,0,0|1,0,1]=4 1767 B10R1.113 B(c1cccc(c1)S)(O)O TS41329 [1,1,0,0,0,0|1,0,1]=4 1768 B10R1.113 CC(=O)c1cc(cnc1)Br TS08180 [1,1,0,0,0,0|2,0,0]=4 1769 B10R1.113 CC(=O)c1cc(cnc1)F TS37264 [1,1,0,0,0,0|2,0,0]=4 1770 B10R1.113 CC(=O)c1ccc[n+](c1)[O-] TS06167 [1,1,0,0,0,0|2,0,0]=4 1771 B10R1.113 CC(=O)c1cccc(c1)Br TS09476 [1,1,0,0,0,0|1,0,0]=3 1772 B10R1.113 CC(=O)c1cccc(c1)Cl TS41457 [1,1,0,0,0,0|1,0,0]=3 1773 B10R1.113 CC(=O)c1cccc(c1)F TS39433 [1,1,0,0,0,0|1,0,0]=3 1774 B10R1.113 CC(=O)c1cccc(c1)I TS02811 [1,1,0,0,0,0|1,0,0]=3 1775 B10R1.113 CC(=O)c1cccc(c1)N TS36932 [1,1,0,0,0,0|1,0,0]=3 1776 B10R1.113 CC(=O)c1cccc(c1)O TS70618 [1,1,0,0,0,0|1,0,0]=3 1777 B10R1.113 CC(=O)c1cccc(n1)Br TS08250 [1,1,0,0,0,0|2,0,0]=4 1778 B10R1.113 CC(=O)c1cccc(n1)Cl TS46739 [1,1,0,0,0,0|2,0,0]=4 1779 B10R1.113 CC(=O)c1ccnc(c1)Cl TS08148 [1,1,0,0,0,0|2,0,0]=4 1780 B10R1.113 CC(c1cccc(c1)Br)O TS38052 [1,1,0,0,0,0|1,0,1]=4 1781 B10R1.113 CC(c1cccc(c1)Cl)O TS41713 [1,1,0,0,0,0|1,0,1]=4 1782 B10R1.113 CC(c1cccc(c1)F)O TS37373 [1,1,0,0,0,0|1,0,1]=4 1783 B10R1.113 CC(c1cccc(c1)N)O TS37125 [1,1,0,0,0,0|1,0,1]=4 1784 B10R1.113 C[C@@H](c1cccc(c1)Br)O TS38053 [1,1,0,0,0,0|1,0,1]=4 1785 B10R1.113 C[C@H](c1cccc(c1)Br)O TS38040 [1,1,0,0,0,0|1,0,1]=4 1786 B10R1.113 C[n+]1cccc(c1)C(=O)N TS45572 [1,1,0,0,0,0|2,0,0]=4 1787 B10R1.113 Cc1cc(ccn1)C(=O)C TS01801 [1,1,0,0,0,0|2,0,0]=4 1788 B10R1.113 Cc1cc(ccn1)C(=O)O TS37098 [1,1,0,0,0,0|1,0,0]=3 1789 B10R1.113 Cc1cc(cnc1)C(=O)N TS06051 [1,1,0,0,0,0|2,0,0]=4 1790 B10R1.113 Cc1cc(cnc1)C(=O)O TS01159 [1,1,0,0,0,0|1,0,0]=3 1791 B10R1.113 Cc1cc(cnc1)C(=O)O TS13412 [1,1,0,0,0,0|1,0,0]=3 1792 B10R1.113 Cc1cc(ncn1)C(=O)O TS88119 [1,1,0,0,0,0|2,0,0]=4 1793 B10R1.113 Cc1cccc(c1)C(=N)N TS12936 [1,1,0,0,0,0|2,0,0]=4 1794 B10R1.113 Cc1cccc(c1)C(=O)C TS01793 [1,1,0,0,0,0|1,0,0]=3 1795 B10R1.113 Cc1cccc(c1)C(=O)Cl TS60022 [1,1,0,0,0,0|1,0,0]=3 1796 B10R1.113 Cc1cccc(c1)C(=O)N TS36933 [1,1,0,0,0,0|1,0,0]=3 1797 B10R1.113 Cc1cccc(c1)C(=O)O TS36985 [1,1,0,0,0,0|0,0,0]=2 1798 B10R1.113 Cc1cccc(c1)C(=S)N TS41054 [1,1,0,0,0,0|1,1,0]=4 1799 B10R1.113 Cc1cccc(c1)C(C)O TS37016 [1,1,0,0,0,0|1,0,1]=4 1800 B10R1.113 Cc1cccc(c1)[N+](=O)[O-] TS37092 [1,1,0,0,0,0|1,0,1]=4 1801 B10R1.113 Cc1cccc(n1)C(=O)C TS08253 [1,1,0,0,0,0|2,0,0]=4 1802 B10R1.113 Cc1ccnc(c1)C(=O)C TS32774 [1,1,0,0,0,0|2,0,0]=4 1803 B10R1.113 Cc1ccnc(c1)C(=O)O TS37096 [1,1,0,0,0,0|1,0,0]=3 1804 B10R1.113 Cc1ccnc(n1)C(=O)O TS90875 [1,1,0,0,0,0|2,0,0]=4 1805 B10R1.113 Cc1nccc(n1)C(=O)O TS02451 [1,1,0,0,0,0|2,0,0]=4 1806 B10R1.113 c1c(cn[nH]c1=O)C(=O)O TS06410 [1,1,0,0,0,0|2,0,0]=4 1807 B10R1.113 c1c(cncc1Br)C(=O)Cl TS49867 [1,1,0,0,0,0|2,0,0]=4 1808 B10R1.113 c1c(cncc1Br)C(=O)N TS60080 [1,1,0,0,0,0|2,0,0]=4 1809 B10R1.113 c1c(cncc1Br)C(=O)O TS09808 [1,1,0,0,0,0|1,0,0]=3 1810 B10R1.113 c1c(cncc1Cl)C(=O)O TS03271 [1,1,0,0,0,0|1,0,0]=3 1811 B10R1.113 c1c(cncc1F)C(=O)O TS03323 [1,1,0,0,0,0|1,0,0]=3 1812 B10R1.113 c1c(cncc1N)C(=O)N TS03231 [1,1,0,0,0,0|2,0,0]=4 1813 B10R1.113 c1c(cncc1N)C(=O)O TS71381 [1,1,0,0,0,0|1,0,0]=3 1814 B10R1.113 c1c(cncc1O)C(=O)O TS30275 [1,1,0,0,0,0|1,0,0]=3 1815 B10R1.113 c1c(cncc1O)C(=O)O TS85371 [1,1,0,0,0,0|1,0,0]=3 1816 B10R1.113 c1c(cnnc1Cl)C(=O)O TS90511 [1,1,0,0,0,0|2,0,0]=4 1817 B10R1.113 c1c(nc(cn1)Cl)C(=O)O TS55584 [1,1,0,0,0,0|2,0,0]=4 1818 B10R1.113 c1c(ncnc1O)C(=O)O TS01241 [1,1,0,0,0,0|2,0,0]=4 1819 B10R1.113 c1cc(cc(c1)Br)C(=N)N TS09478 [1,1,0,0,0,0|2,0,0]=4 1820 B10R1.113 c1cc(cc(c1)Br)C(=N)N TS54155 [1,1,0,0,0,0|2,0,0]=4 1821 B10R1.113 c1cc(cc(c1)Br)C(=O)Cl TS56222 [1,1,0,0,0,0|1,0,0]=3 1822 B10R1.113 c1cc(cc(c1)Br)C(=O)N TS18933 [1,1,0,0,0,0|1,0,0]=3 1823 B10R1.113 c1cc(cc(c1)Br)C(=O)O TS19140 [1,1,0,0,0,0|0,0,0]=2 1824 B10R1.113 c1cc(cc(c1)Br)C(=S)N TS21980 [1,1,0,0,0,0|1,1,0]=4 1825 B10R1.113 c1cc(cc(c1)Br)[N+](=O)[O-] TS16330 [1,1,0,0,0,0|1,0,1]=4 1826 B10R1.113 c1cc(cc(c1)Cl)C(=N)N TS41463 [1,1,0,0,0,0|2,0,0]=4 1827 B10R1.113 c1cc(cc(c1)Cl)C(=N)N TS51244 [1,1,0,0,0,0|2,0,0]=4 1828 B10R1.113 c1cc(cc(c1)Cl)C(=O)Cl TS13612 [1,1,0,0,0,0|1,0,0]=3 1829 B10R1.113 c1cc(cc(c1)Cl)C(=O)N TS10611 [1,1,0,0,0,0|1,0,0]=3 1830 B10R1.113 c1cc(cc(c1)Cl)C(=O)O TS02028 [1,1,0,0,0,0|0,0,0]=2 1831 B10R1.113 c1cc(cc(c1)Cl)C(=S)N TS45392 [1,1,0,0,0,0|1,1,0]=4 1832 B10R1.113 c1cc(cc(c1)Cl)[N+](=O)[O-] TS41831 [1,1,0,0,0,0|1,0,1]=4 1833 B10R1.113 c1cc(cc(c1)F)C(=N)N TS13606 [1,1,0,0,0,0|2,0,0]=4 1834 B10R1.113 c1cc(cc(c1)F)C(=N)N TS37176 [1,1,0,0,0,0|2,0,0]=4 1835 B10R1.113 c1cc(cc(c1)F)C(=O)Cl TS11079 [1,1,0,0,0,0|1,0,0]=3 1836 B10R1.113 c1cc(cc(c1)F)C(=O)N TS37271 [1,1,0,0,0,0|1,0,0]=3 1837 B10R1.113 c1cc(cc(c1)F)C(=O)O TS06420 [1,1,0,0,0,0|0,0,0]=2 1838 B10R1.113 c1cc(cc(c1)F)C(=O)[O-] TS11490 [1,1,0,0,0,0|0,0,1]=3 1839 B10R1.113 c1cc(cc(c1)F)C(=S)N TS41514 [1,1,0,0,0,0|1,1,0]=4 1840 B10R1.113 c1cc(cc(c1)I)C(=O)Cl TS39446 [1,1,0,0,0,0|1,0,0]=3 1841 B10R1.113 c1cc(cc(c1)I)C(=O)N TS62384 [1,1,0,0,0,0|1,0,0]=3 1842 B10R1.113 c1cc(cc(c1)I)C(=O)O TS70626 [1,1,0,0,0,0|0,0,0]=2 1843 B10R1.113 c1cc(cc(c1)I)C(=S)N TS29885 [1,1,0,0,0,0|1,1,0]=4 1844 B10R1.113 c1cc(cc(c1)I)[N+](=O)[O-] TS27853 [1,1,0,0,0,0|1,0,1]=4 1845 B10R1.113 c1cc(cc(c1)N)C(=N)N TS20481 [1,1,0,0,0,0|2,0,0]=4 1846 B10R1.113 c1cc(cc(c1)N)C(=O)N TS60003 [1,1,0,0,0,0|1,0,0]=3 1847 B10R1.113 c1cc(cc(c1)N)C(=O)O TS13414 [1,1,0,0,0,0|0,0,0]=2 1848 B10R1.113 c1cc(cc(c1)N)C(=O)O TS37103 [1,1,0,0,0,0|0,0,0]=2 1849 B10R1.113 c1cc(cc(c1)N)C(=O)[O-] TS11098 [1,1,0,0,0,0|0,0,1]=3 1850 B10R1.113 c1cc(cc(c1)N)C(=S)N TS41179 [1,1,0,0,0,0|1,1,0]=4 1851 B10R1.113 c1cc(cc(c1)O)C(=O)N TS70620 [1,1,0,0,0,0|1,0,0]=3 1852 B10R1.113 c1cc(cc(c1)O)C(=O)O TS06229 [1,1,0,0,0,0|0,0,0]=2 1853 B10R1.113 c1cc(cc(c1)O)C(=O)[O-] TS42112 [1,1,0,0,0,0|0,0,1]=3 1854 B10R1.113 c1cc(cc(c1)O)C(=S)N TS10338 [1,1,0,0,0,0|1,1,0]=4 1855 B10R1.113 c1cc(cc(c1)O)[N+](=O)[O-] TS01569 [1,1,0,0,0,0|1,0,1]=4 1856 B10R1.113 c1cc(cc(c1)S)C(=O)O TS41386 [1,1,0,0,0,0|0,0,0]=2 1857 B10R1.113 c1cc(cc(c1)[N+](=O)[O-])N TS02863 [1,1,0,0,0,0|1,0,1]=4 1858 B10R1.113 c1cc(cn(=O)c1)C(=O)N TS37161 [1,1,0,0,0,0|2,0,0]=4 1859 B10R1.113 c1cc(cn(=O)c1)C(=O)O TS06349 [1,1,0,0,0,0|1,0,0]=3 1860 B10R1.113 c1cc(nc(c1)Br)C(=O)N TS19141 [1,1,0,0,0,0|2,0,0]=4 1861 B10R1.113 c1cc(nc(c1)Br)C(=O)O TS16477 [1,1,0,0,0,0|1,0,0]=3 1862 B10R1.113 c1cc(nc(c1)Cl)C(=O)O TS55587 [1,1,0,0,0,0|1,0,0]=3 1863 B10R1.113 c1cc(nc(c1)F)C(=O)O TS01235 [1,1,0,0,0,0|1,0,0]=3 1864 B10R1.113 c1cc(nc(c1)I)C(=O)N TS62507 [1,1,0,0,0,0|2,0,0]=4 1865 B10R1.113 c1cc(nc(c1)I)C(=O)O TS27851 [1,1,0,0,0,0|1,0,0]=3 1866 B10R1.113 c1cc(nc(c1)N)C(=O)O TS01213 [1,1,0,0,0,0|1,0,0]=3 1867 B10R1.113 c1cc(nc(c1)O)C(=O)O TS01240 [1,1,0,0,0,0|1,0,0]=3 1868 B10R1.113 c1cc(oc(=O)c1)C(=O)O TS06409 [1,1,0,0,0,0|1,0,0]=3 1869 B10R1.113 c1cnc(=O)[nH]c1C(=O)O TS06412 [1,1,0,0,0,0|2,0,0]=4 1870 B10R1.113 c1cnc(cc1Br)C(=O)N TS19142 [1,1,0,0,0,0|2,0,0]=4 1871 B10R1.113 c1cnc(cc1Br)C(=O)O TS09612 [1,1,0,0,0,0|1,0,0]=3 1872 B10R1.113 c1cnc(cc1C(=O)Cl)Cl TS46031 [1,1,0,0,0,0|2,0,0]=4 1873 B10R1.113 c1cnc(cc1C(=O)N)Br TS00863 [1,1,0,0,0,0|2,0,0]=4 1874 B10R1.113 c1cnc(cc1C(=O)N)Cl TS07940 [1,1,0,0,0,0|2,0,0]=4 1875 B10R1.113 c1cnc(cc1C(=O)N)N TS06173 [1,1,0,0,0,0|2,0,0]=4 1876 B10R1.113 c1cnc(cc1C(=O)O)Br TS55109 [1,1,0,0,0,0|1,0,0]=3 1877 B10R1.113 c1cnc(cc1C(=O)O)Cl TS85374 [1,1,0,0,0,0|1,0,0]=3 1878 B10R1.113 c1cnc(cc1C(=O)O)F TS01028 [1,1,0,0,0,0|1,0,0]=3 1879 B10R1.113 c1cnc(cc1C(=O)O)I TS07726 [1,1,0,0,0,0|1,0,0]=3 1880 B10R1.113 c1cnc(cc1C(=O)O)N TS47473 [1,1,0,0,0,0|1,0,0]=3 1881 B10R1.113 c1cnc(cc1C(=O)O)O TS06352 [1,1,0,0,0,0|1,0,0]=3 1882 B10R1.113 c1cnc(cc1Cl)C(=O)Cl TS09691 [1,1,0,0,0,0|2,0,0]=4 1883 B10R1.113 c1cnc(cc1Cl)C(=O)N TS09686 [1,1,0,0,0,0|2,0,0]=4 1884 B10R1.113 c1cnc(cc1Cl)C(=O)O TS09687 [1,1,0,0,0,0|1,0,0]=3 1885 B10R1.113 c1cnc(cc1F)C(=O)O TS09128 [1,1,0,0,0,0|1,0,0]=3 1886 B10R1.113 c1cnc(cc1I)C(=O)O TS88205 [1,1,0,0,0,0|1,0,0]=3 1887 B10R1.113 c1cnc(cc1N)C(=O)O TS88808 [1,1,0,0,0,0|1,0,0]=3 1888 B10R1.113 c1cnc(cc1O)C(=O)O TS03133 [1,1,0,0,0,0|1,0,0]=3 1889 B10R1.113 c1cnc(nc1C(=O)O)Cl TS00961 [1,1,0,0,0,0|2,0,0]=4 1890 B10R1.113 c1coc(cc1=O)C(=O)O TS37334 [1,1,0,0,0,0|1,0,0]=3 1891 B10R1.2 CCc1cccc(c1O)C TS06085 [1,1,0,0,0,0|1,0,1]=4 1892 B10R1.2 COc1cccc(c1O)Br TS87716 [1,1,0,0,0,0|2,0,0]=4 1893 B10R1.2 COc1cccc(c1O)F TS65426 [1,1,0,0,0,0|2,0,0]=4 1894 B10R1.2 COc1cccc(c1O)O TS60018 [1,1,0,0,0,0|2,0,0]=4 1895 B10R1.2 Cc1c(c(ccn1)C=O)O TS37087 [1,1,0,0,0,0|1,0,0]=3 1896 B10R1.2 Cc1c(cccc1F)C=O TS08977 [1,1,0,0,0,0|1,0,0]=3 1897 B10R1.2 Cc1c(cccc1F)CO TS09370 [1,1,0,0,0,0|1,0,1]=4 1898 B10R1.2 Cc1c(cccc1N)CO TS37119 [1,1,0,0,0,0|1,0,1]=4 1899 B10R1.2 Cc1cccc(c1C)C=O TS59680 [1,1,0,0,0,0|1,0,0]=3 1900 B10R1.2 Cc1cccc(c1C)CO TS37020 [1,1,0,0,0,0|1,0,1]=4 1901 B10R1.2 Cc1cccc(c1F)C=O TS37170 [1,1,0,0,0,0|1,0,0]=3 1902 B10R1.2 Cc1cccc(c1O)C=O TS36989 [1,1,0,0,0,0|0,0,0]=2 1903 B10R1.2 Cc1cccc(c1O)OC TS55384 [1,1,0,0,0,0|2,0,0]=4 1904 B10R1.2 Cc1ccnc(c1Cl)C=O TS10624 [1,1,0,0,0,0|2,0,0]=4 1905 B10R1.2 Cc1ccnc(c1F)C=O TS02040 [1,1,0,0,0,0|2,0,0]=4 1906 B10R1.2 c1cc(c(c(c1)Br)Br)C=O TS29979 [1,1,0,0,0,0|1,0,0]=3 1907 B10R1.2 c1cc(c(c(c1)Br)O)C#N TS86717 [1,1,0,0,0,0|1,0,1]=4 1908 B10R1.2 c1cc(c(c(c1)Br)O)C=O TS65902 [1,1,0,0,0,0|0,0,0]=2 1909 B10R1.2 c1cc(c(c(c1)Cl)Cl)C=O TS47149 [1,1,0,0,0,0|1,0,0]=3 1910 B10R1.2 c1cc(c(c(c1)Cl)Cl)CO TS02329 [1,1,0,0,0,0|1,0,1]=4 1911 B10R1.2 c1cc(c(c(c1)Cl)F)C=O TS65968 [1,1,0,0,0,0|1,0,0]=3 1912 B10R1.2 c1cc(c(c(c1)Cl)F)CO TS42233 [1,1,0,0,0,0|1,0,1]=4 1913 B10R1.2 c1cc(c(c(c1)Cl)O)C=O TS10793 [1,1,0,0,0,0|0,0,0]=2 1914 B10R1.2 c1cc(c(c(c1)F)Br)C=O TS38367 [1,1,0,0,0,0|1,0,0]=3 1915 B10R1.2 c1cc(c(c(c1)F)Cl)C=O TS08398 [1,1,0,0,0,0|1,0,0]=3 1916 B10R1.2 c1cc(c(c(c1)F)F)C=O TS00555 [1,1,0,0,0,0|1,0,0]=3 1917 B10R1.2 c1cc(c(c(c1)F)F)CO TS02339 [1,1,0,0,0,0|1,0,1]=4 1918 B10R1.2 c1cc(c(c(c1)F)I)C=O TS09366 [1,1,0,0,0,0|1,0,0]=3 1919 B10R1.2 c1cc(c(c(c1)F)O)C=O TS02771 [1,1,0,0,0,0|0,0,0]=2 1920 B10R1.2 c1cc(c(c(c1)I)O)C=O TS27692 [1,1,0,0,0,0|0,0,0]=2 1921 B10R1.2 c1cc(c(c(c1)N)O)C#N TS36813 [1,1,0,0,0,0|1,0,1]=4 1922 B10R1.2 c1cc(c(c(c1)O)Br)C=O TS94632 [1,1,0,0,0,0|1,0,0]=3 1923 B10R1.2 c1cc(c(c(c1)O)O)C#N TS07696 [1,1,0,0,0,0|1,0,1]=4 1924 B10R1.2 c1cc(c(c(c1)O)O)C=O TS06231 [1,1,0,0,0,0|0,0,0]=2 1925 B10R1.2 c1cc(c(c(c1)O)O)CN TS37279 [1,1,0,0,0,0|1,0,1]=4 1926 B10R1.2 c1cnc(c(c1C=O)Cl)Cl TS46032 [1,1,0,0,0,0|2,0,0]=4 1927 B10R1.2 c1cnc(c(c1C=O)F)Cl TS08399 [1,1,0,0,0,0|2,0,0]=4 1928 B10R1.4 C=CCc1ccccc1Cl TS41221 [1,1,0,0,0,0|2,0,0]=4 1929 B10R1.4 C=CCc1ccccc1O TS36846 [1,1,0,0,0,0|1,0,0]=3 1930 B10R1.4 CC=Cc1ccccc1O TS36834 [1,1,0,0,0,0|1,0,0]=3 1931 B10R1.4 CCCc1ccccc1O TS06077 [1,1,0,0,0,0|1,0,1]=4 1932 B10R1.4 CCOc1ccccc1O TS06253 [1,1,0,0,0,0|1,0,1]=4 1933 B10R1.4 CCSc1ccccc1O TS41412 [1,1,0,0,0,0|1,0,1]=4 1934 B10R1.4 CNCc1ccccc1O TS45699 [1,1,0,0,0,0|1,0,1]=4 1935 B10R1.4 COCc1ccccc1F TS37369 [1,1,0,0,0,0|1,0,1]=4 1936 B10R1.4 C[n+]1ccccc1C=NO TS45570 [1,1,0,0,0,0|2,0,0]=4 1937 B10R1.4 C[n+]1ccccc1C=NO TS68776 [1,1,0,0,0,0|2,0,0]=4 1938 B10R1.4 Cc1ccccc1CC=C TS05766 [1,1,0,0,0,0|2,0,0]=4 1939 B10R1.4 Cc1ccccc1CCO TS37017 [1,1,0,0,0,0|1,0,1]=4 1940 B10R1.4 Cc1ccccc1N=C=O TS16709 [1,1,0,0,0,0|1,0,1]=4 1941 B10R1.4 Cc1ccccc1NC=O TS36923 [1,1,0,0,0,0|1,0,0]=3 1942 B10R1.4 c1cc(c(nc1)N)C=NO TS13415 [1,1,0,0,0,0|2,0,0]=4 1943 B10R1.4 c1ccc(c(c1)C=NN)O TS06061 [1,1,0,0,0,0|1,0,0]=3 1944 B10R1.4 c1ccc(c(c1)C=NO)Br TS18942 [1,1,0,0,0,0|1,0,0]=3 1945 B10R1.4 c1ccc(c(c1)C=NO)Cl TS10612 [1,1,0,0,0,0|1,0,0]=3 1946 B10R1.4 c1ccc(c(c1)C=NO)F TS37272 [1,1,0,0,0,0|1,0,0]=3 1947 B10R1.4 c1ccc(c(c1)C=NO)O TS06160 [1,1,0,0,0,0|0,0,0]=2 1948 B10R1.4 c1ccc(c(c1)CCN)O TS37108 [1,1,0,0,0,0|1,0,1]=4 1949 B10R1.4 c1ccc(c(c1)CCO)Br TS38054 [1,1,0,0,0,0|1,0,1]=4 1950 B10R1.4 c1ccc(c(c1)CCO)Cl TS41724 [1,1,0,0,0,0|1,0,1]=4 1951 B10R1.4 c1ccc(c(c1)CCO)F TS37364 [1,1,0,0,0,0|1,0,1]=4 1952 B10R1.4 c1ccc(c(c1)CCO)N TS37117 [1,1,0,0,0,0|1,0,1]=4 1953 B10R1.4 c1ccc(c(c1)CCO)O TS55402 [1,1,0,0,0,0|0,0,1]=3 1954 B10R1.4 c1ccc(c(c1)CON)F TS93890 [1,1,0,0,0,0|1,0,1]=4 1955 B10R1.4 c1ccc(c(c1)CON)I TS94168 [1,1,0,0,0,0|1,0,1]=4 1956 B10R1.4 c1ccc(c(c1)CO[NH3+])Br TS26271 [1,1,0,0,0,0|1,0,1]=4 1957 B10R1.4 c1ccc(c(c1)CO[NH3+])Cl TS17764 [1,1,0,0,0,0|1,0,1]=4 1958 B10R1.4 c1ccc(c(c1)N=C=O)Br TS53946 [1,1,0,0,0,0|1,0,1]=4 1959 B10R1.4 c1ccc(c(c1)N=C=O)Cl TS10358 [1,1,0,0,0,0|1,0,1]=4 1960 B10R1.4 c1ccc(c(c1)N=C=O)F TS37082 [1,1,0,0,0,0|1,0,1]=4 1961 B10R1.4 c1ccc(c(c1)N=C=O)I TS62099 [1,1,0,0,0,0|1,0,1]=4 1962 B10R1.4 c1ccc(c(c1)NC=O)Cl TS10621 [1,1,0,0,0,0|1,0,0]=3 1963 B10R1.4 c1ccc(c(c1)NC=O)O TS37102 [1,1,0,0,0,0|0,0,0]=2 1964 B10R1.20 C#Cc1ccccc1C=O TS36474 [1,1,0,0,0,0|1,0,0]=3 1965 B10R1.20 C=Cc1ccccc1C=C TS36515 [1,1,0,0,0,0|2,0,0]=4 1966 B10R1.20 CCc1ccccc1C=O TS36837 [1,1,0,0,0,0|1,0,0]=3 1967 B10R1.20 CCc1ccccc1OC TS06091 [1,1,0,0,0,0|1,0,1]=4 1968 B10R1.20 CNc1c(cccn1)C=O TS06056 [1,1,0,0,0,0|2,0,0]=4 1969 B10R1.20 CNc1ccccc1OC TS06193 [1,1,0,0,0,0|2,0,0]=4 1970 B10R1.20 COc1c(cccn1)C=O TS55430 [1,1,0,0,0,0|1,0,0]=3 1971 B10R1.20 COc1c(cccn1)CO TS88118 [1,1,0,0,0,0|1,0,1]=4 1972 B10R1.20 COc1ccccc1C#C TS55428 [1,1,0,0,0,0|1,0,1]=4 1973 B10R1.20 COc1ccccc1C#N TS02018 [1,1,0,0,0,0|1,0,1]=4 1974 B10R1.20 COc1ccccc1C=C TS36839 [1,1,0,0,0,0|1,0,0]=3 1975 B10R1.20 COc1ccccc1C=O TS00088 [1,1,0,0,0,0|0,0,0]=2 1976 B10R1.20 COc1ccccc1CBr TS46746 [1,1,0,0,0,0|1,0,1]=4 1977 B10R1.20 COc1ccccc1CCl TS01104 [1,1,0,0,0,0|1,0,1]=4 1978 B10R1.20 COc1ccccc1CN TS01103 [1,1,0,0,0,0|1,0,1]=4 1979 B10R1.20 COc1ccccc1CO TS06248 [1,1,0,0,0,0|0,0,1]=3 1980 B10R1.20 COc1ccccc1NN TS46513 [1,1,0,0,0,0|2,0,0]=4 1981 B10R1.20 COc1ccccc1OC TS07876 [1,1,0,0,0,0|2,0,0]=4 1982 B10R1.20 COc1ccccc1SC TS55437 [1,1,0,0,0,0|2,0,0]=4 1983 B10R1.20 COc1ccccc1[Mg]Br TS44048 [1,1,0,0,0,0|2,0,0]=4 1984 B10R1.20 COc1cccnc1C=O TS06166 [1,1,0,0,0,0|1,0,0]=3 1985 B10R1.20 COc1cccnc1CO TS08026 [1,1,0,0,0,0|1,0,1]=4 1986 B10R1.20 COc1ccncc1C=O TS09135 [1,1,0,0,0,0|1,0,0]=3 1987 B10R1.20 COc1cnccc1C=O TS06158 [1,1,0,0,0,0|1,0,0]=3 1988 B10R1.20 CSc1ccccc1CO TS41405 [1,1,0,0,0,0|0,1,1]=4 1989 B10R1.20 c1cc(c(nc1)C#N)C=O TS39304 [1,1,0,0,0,0|2,0,0]=4 1990 B10R1.20 c1cc(c(nc1)CN)C=O TS06068 [1,1,0,0,0,0|2,0,0]=4 1991 B10R1.20 c1cc(c(nc1)CO)CO TS06365 [1,1,0,0,0,0|1,0,1]=4 1992 B10R1.20 c1ccc(c(c1)C=O)C#N TS55300 [1,1,0,0,0,0|1,0,0]=3 1993 B10R1.20 c1ccc(c(c1)C=O)C=O TS55742 [1,1,0,0,0,0|0,0,1]=3 1994 B10R1.20 c1ccc(c(c1)CBr)C=O TS54151 [1,1,0,0,0,0|1,0,0]=3 1995 B10R1.20 c1ccc(c(c1)CO)CO TS59881 [1,1,0,0,0,0|0,0,1]=3 1996 B10R1.25 C=Cc1ccc(cc1F)F TS06427 [1,1,0,0,0,0|2,0,0]=4 1997 B10R1.25 CCc1ccc(cc1O)O TS06247 [1,1,0,0,0,0|1,0,1]=4 1998 B10R1.25 COc1ccc(cc1O)Br TS85281 [1,1,0,0,0,0|2,0,0]=4 1999 B10R1.25 COc1ccc(cc1O)F TS07835 [1,1,0,0,0,0|2,0,0]=4 2000 B10R1.25 COc1ccc(cc1O)N TS37282 [1,1,0,0,0,0|2,0,0]=4 2001 B10R1.25 COc1ccc(cc1O)O TS06433 [1,1,0,0,0,0|2,0,0]=4 2002 B10R1.25 Cc1c(ccc(n1)Cl)C=O TS10618 [1,1,0,0,0,0|2,0,0]=4 2003 B10R1.25 Cc1c(ccc(n1)F)C=O TS85125 [1,1,0,0,0,0|2,0,0]=4 2004 B10R1.25 Cc1cc(ccc1C=O)Cl TS71020 [1,1,0,0,0,0|1,0,0]=3 2005 B10R1.25 Cc1cc(ccc1C=O)F TS65134 [1,1,0,0,0,0|1,0,0]=3 2006 B10R1.25 Cc1cc(ccc1C=O)O TS03103 [1,1,0,0,0,0|1,0,0]=3 2007 B10R1.25 Cc1cc(ccc1CO)F TS06460 [1,1,0,0,0,0|1,0,1]=4 2008 B10R1.25 Cc1cc(cnc1C=O)Br TS16993 [1,1,0,0,0,0|2,0,0]=4 2009 B10R1.25 Cc1cc(ncc1C=O)Cl TS10623 [1,1,0,0,0,0|2,0,0]=4 2010 B10R1.25 Cc1ccc(c(c1)Br)C=O TS08331 [1,1,0,0,0,0|1,0,0]=3 2011 B10R1.25 Cc1ccc(c(c1)C)C=C TS05767 [1,1,0,0,0,0|2,0,0]=4 2012 B10R1.25 Cc1ccc(c(c1)C)C=O TS36832 [1,1,0,0,0,0|1,0,0]=3 2013 B10R1.25 Cc1ccc(c(c1)C)CO TS37015 [1,1,0,0,0,0|1,0,1]=4 2014 B10R1.25 Cc1ccc(c(c1)F)C=O TS01780 [1,1,0,0,0,0|1,0,0]=3 2015 B10R1.25 Cc1ccc(c(c1)O)C#N TS01044 [1,1,0,0,0,0|1,0,1]=4 2016 B10R1.25 Cc1ccc(c(c1)O)C=O TS01043 [1,1,0,0,0,0|0,0,0]=2 2017 B10R1.25 Cc1ccc(c(c1)O)OC TS06265 [1,1,0,0,0,0|2,0,0]=4 2018 B10R1.25 Cc1ccc(c(n1)C)C=O TS00707 [1,1,0,0,0,0|2,0,0]=4 2019 B10R1.25 Cc1ccc(c(n1)Cl)C=O TS10622 [1,1,0,0,0,0|2,0,0]=4 2020 B10R1.25 Cc1ccc(c(n1)N)C=O TS06053 [1,1,0,0,0,0|2,0,0]=4 2021 B10R1.25 c1c(c(cnc1Cl)C=O)Cl TS86372 [1,1,0,0,0,0|2,0,0]=4 2022 B10R1.25 c1c(cnc(c1F)C=O)Br TS85779 [1,1,0,0,0,0|2,0,0]=4 2023 B10R1.25 c1cc(c(cc1Br)Cl)C=O TS00880 [1,1,0,0,0,0|1,0,0]=3 2024 B10R1.25 c1cc(c(cc1Br)F)C=O TS16938 [1,1,0,0,0,0|1,0,0]=3 2025 B10R1.25 c1cc(c(cc1Br)F)CO TS60386 [1,1,0,0,0,0|1,0,1]=4 2026 B10R1.25 c1cc(c(cc1Br)O)C#N TS70956 [1,1,0,0,0,0|1,0,1]=4 2027 B10R1.25 c1cc(c(cc1Br)O)C=O TS16946 [1,1,0,0,0,0|0,0,0]=2 2028 B10R1.25 c1cc(c(cc1Br)O)CO TS60424 [1,1,0,0,0,0|0,0,1]=3 2029 B10R1.25 c1cc(c(cc1Cl)Cl)C=O TS13611 [1,1,0,0,0,0|1,0,0]=3 2030 B10R1.25 c1cc(c(cc1Cl)Cl)CO TS13963 [1,1,0,0,0,0|1,0,1]=4 2031 B10R1.25 c1cc(c(cc1Cl)F)C=O TS11081 [1,1,0,0,0,0|1,0,0]=3 2032 B10R1.25 c1cc(c(cc1Cl)F)CO TS42237 [1,1,0,0,0,0|1,0,1]=4 2033 B10R1.25 c1cc(c(cc1Cl)O)C=O TS03046 [1,1,0,0,0,0|0,0,0]=2 2034 B10R1.25 c1cc(c(cc1F)Br)C=O TS08316 [1,1,0,0,0,0|1,0,0]=3 2035 B10R1.25 c1cc(c(cc1F)Br)CO TS19894 [1,1,0,0,0,0|1,0,1]=4 2036 B10R1.25 c1cc(c(cc1F)Cl)C=O TS00884 [1,1,0,0,0,0|1,0,0]=3 2037 B10R1.25 c1cc(c(cc1F)Cl)CO TS42235 [1,1,0,0,0,0|1,0,1]=4 2038 B10R1.25 c1cc(c(cc1F)F)C=O TS00628 [1,1,0,0,0,0|1,0,0]=3 2039 B10R1.25 c1cc(c(cc1F)F)CO TS09235 [1,1,0,0,0,0|1,0,1]=4 2040 B10R1.25 c1cc(c(cc1F)O)C=O TS71141 [1,1,0,0,0,0|0,0,0]=2 2041 B10R1.25 c1cc(c(cc1I)Br)C=O TS08969 [1,1,0,0,0,0|1,0,0]=3 2042 B10R1.25 c1cc(c(cc1I)F)C=O TS08418 [1,1,0,0,0,0|1,0,0]=3 2043 B10R1.25 c1cc(c(cc1O)Cl)C=O TS10791 [1,1,0,0,0,0|1,0,0]=3 2044 B10R1.25 c1cc(c(cc1O)F)C=O TS08415 [1,1,0,0,0,0|1,0,0]=3 2045 B10R1.25 c1cc(c(cc1O)O)C#N TS07698 [1,1,0,0,0,0|1,0,1]=4 2046 B10R1.25 c1cc(c(cc1O)O)C=O TS47229 [1,1,0,0,0,0|0,0,0]=2 2047 B10R1.25 c1cc(c(cc1O)O)CO TS37344 [1,1,0,0,0,0|0,0,1]=3 2048 B10R1.25 c1cc(c(cc1O)O)N=O TS06355 [1,1,0,0,0,0|1,0,0]=3 2049 B10R1.25 c1cc(nc(c1C=O)Br)Br TS88121 [1,1,0,0,0,0|2,0,0]=4 2050 B10R1.25 c1cc(nc(c1C=O)Cl)Cl TS47285 [1,1,0,0,0,0|2,0,0]=4 2051 B10R1.25 c1cc(nc(c1C=O)F)F TS40047 [1,1,0,0,0,0|2,0,0]=4 2052 B10R1.30 C=Cc1cc(ccc1Cl)Cl TS45578 [1,1,0,0,0,0|2,0,0]=4 2053 B10R1.30 C=Cc1cc(ccc1F)F TS06428 [1,1,0,0,0,0|2,0,0]=4 2054 B10R1.30 CCc1cc(ccc1O)F TS37365 [1,1,0,0,0,0|1,0,1]=4 2055 B10R1.30 CCc1cc(ccc1O)O TS06259 [1,1,0,0,0,0|1,0,1]=4 2056 B10R1.30 COc1cc(ccc1O)Br TS29434 [1,1,0,0,0,0|2,0,0]=4 2057 B10R1.30 COc1cc(ccc1O)Cl TS11084 [1,1,0,0,0,0|2,0,0]=4 2058 B10R1.30 COc1cc(ccc1O)F TS37549 [1,1,0,0,0,0|2,0,0]=4 2059 B10R1.30 COc1cc(ccc1O)O TS37335 [1,1,0,0,0,0|2,0,0]=4 2060 B10R1.30 Cc1cc(c(nc1)Cl)C=O TS41555 [1,1,0,0,0,0|2,0,0]=4 2061 B10R1.30 Cc1ccc(c(c1)C=C)C TS36708 [1,1,0,0,0,0|2,0,0]=4 2062 B10R1.30 Cc1ccc(c(c1)C=O)C TS36833 [1,1,0,0,0,0|1,0,0]=3 2063 B10R1.30 Cc1ccc(c(c1)C=O)C TS93809 [1,1,0,0,0,0|1,0,0]=3 2064 B10R1.30 Cc1ccc(c(c1)C=O)F TS01006 [1,1,0,0,0,0|1,0,0]=3 2065 B10R1.30 Cc1ccc(c(c1)C=O)O TS01052 [1,1,0,0,0,0|0,0,0]=2 2066 B10R1.30 Cc1ccc(c(c1)CO)C TS06089 [1,1,0,0,0,0|1,0,1]=4 2067 B10R1.30 Cc1ccc(c(c1)OC)O TS03117 [1,1,0,0,0,0|2,0,0]=4 2068 B10R1.30 Cc1ccc(c(n1)C=O)F TS37267 [1,1,0,0,0,0|2,0,0]=4 2069 B10R1.30 Cc1ccc(c(n1)CO)O TS06364 [1,1,0,0,0,0|1,0,1]=4 2070 B10R1.30 Cc1ccc(cc1C=O)Br TS09794 [1,1,0,0,0,0|1,0,0]=3 2071 B10R1.30 Cc1ccc(cc1C=O)F TS71547 [1,1,0,0,0,0|1,0,0]=3 2072 B10R1.30 Cc1ccc(cc1CO)F TS37367 [1,1,0,0,0,0|1,0,1]=4 2073 B10R1.30 c1c(c(cnc1Cl)Br)C=O TS86358 [1,1,0,0,0,0|2,0,0]=4 2074 B10R1.30 c1c(c(cnc1Cl)Cl)C=O TS00660 [1,1,0,0,0,0|2,0,0]=4 2075 B10R1.30 c1c(c(cnc1Cl)F)C=O TS07718 [1,1,0,0,0,0|2,0,0]=4 2076 B10R1.30 c1c(c(cnc1O)F)C=O TS32991 [1,1,0,0,0,0|2,0,0]=4 2077 B10R1.30 c1c(cnc(c1C=O)Br)Br TS68902 [1,1,0,0,0,0|2,0,0]=4 2078 B10R1.30 c1c(cnc(c1C=O)Cl)Br TS59716 [1,1,0,0,0,0|2,0,0]=4 2079 B10R1.30 c1c(cnc(c1C=O)Cl)F TS59954 [1,1,0,0,0,0|2,0,0]=4 2080 B10R1.30 c1c(cnc(c1C=O)F)Br TS90413 [1,1,0,0,0,0|2,0,0]=4 2081 B10R1.30 c1c(cnc(c1C=O)F)Cl TS85206 [1,1,0,0,0,0|2,0,0]=4 2082 B10R1.30 c1cc(c(cc1Br)C#N)O TS71431 [1,1,0,0,0,0|1,0,1]=4 2083 B10R1.30 c1cc(c(cc1Br)C=O)Br TS47247 [1,1,0,0,0,0|1,0,0]=3 2084 B10R1.30 c1cc(c(cc1Br)C=O)Cl TS16982 [1,1,0,0,0,0|1,0,0]=3 2085 B10R1.30 c1cc(c(cc1Br)C=O)F TS71419 [1,1,0,0,0,0|1,0,0]=3 2086 B10R1.30 c1cc(c(cc1Br)C=O)I TS09783 [1,1,0,0,0,0|1,0,0]=3 2087 B10R1.30 c1cc(c(cc1Br)C=O)O TS09820 [1,1,0,0,0,0|0,0,0]=2 2088 B10R1.30 c1cc(c(cc1Br)CO)Cl TS39528 [1,1,0,0,0,0|1,0,1]=4 2089 B10R1.30 c1cc(c(cc1Br)CO)F TS16783 [1,1,0,0,0,0|1,0,1]=4 2090 B10R1.30 c1cc(c(cc1Br)CO)O TS71432 [1,1,0,0,0,0|0,0,1]=3 2091 B10R1.30 c1cc(c(cc1Cl)C#N)O TS71492 [1,1,0,0,0,0|1,0,1]=4 2092 B10R1.30 c1cc(c(cc1Cl)C=O)Br TS09831 [1,1,0,0,0,0|1,0,0]=3 2093 B10R1.30 c1cc(c(cc1Cl)C=O)Cl TS47258 [1,1,0,0,0,0|1,0,0]=3 2094 B10R1.30 c1cc(c(cc1Cl)C=O)F TS09839 [1,1,0,0,0,0|1,0,0]=3 2095 B10R1.30 c1cc(c(cc1Cl)C=O)N TS00774 [1,1,0,0,0,0|1,0,0]=3 2096 B10R1.30 c1cc(c(cc1Cl)C=O)O TS10788 [1,1,0,0,0,0|0,0,0]=2 2097 B10R1.30 c1cc(c(cc1Cl)CN)O TS08940 [1,1,0,0,0,0|1,0,1]=4 2098 B10R1.30 c1cc(c(cc1Cl)CO)Cl TS13961 [1,1,0,0,0,0|1,0,1]=4 2099 B10R1.30 c1cc(c(cc1Cl)CO)F TS42239 [1,1,0,0,0,0|1,0,1]=4 2100 B10R1.30 c1cc(c(cc1Cl)CO)O TS11082 [1,1,0,0,0,0|0,0,1]=3 2101 B10R1.30 c1cc(c(cc1F)C=O)Br TS08340 [1,1,0,0,0,0|1,0,0]=3 2102 B10R1.30 c1cc(c(cc1F)C=O)Cl TS55244 [1,1,0,0,0,0|1,0,0]=3 2103 B10R1.30 c1cc(c(cc1F)C=O)F TS00673 [1,1,0,0,0,0|1,0,0]=3 2104 B10R1.30 c1cc(c(cc1F)C=O)I TS01072 [1,1,0,0,0,0|1,0,0]=3 2105 B10R1.30 c1cc(c(cc1F)C=O)O TS71536 [1,1,0,0,0,0|0,0,0]=2 2106 B10R1.30 c1cc(c(cc1F)CO)Br TS65410 [1,1,0,0,0,0|1,0,1]=4 2107 B10R1.30 c1cc(c(cc1F)CO)Cl TS60277 [1,1,0,0,0,0|1,0,1]=4 2108 B10R1.30 c1cc(c(cc1F)CO)F TS65346 [1,1,0,0,0,0|1,0,1]=4 2109 B10R1.30 c1cc(c(cc1F)CO)N TS06576 [1,1,0,0,0,0|1,0,1]=4 2110 B10R1.30 c1cc(c(cc1I)C=O)F TS62782 [1,1,0,0,0,0|1,0,0]=3 2111 B10R1.30 c1cc(c(cc1I)C=O)O TS01049 [1,1,0,0,0,0|0,0,0]=2 2112 B10R1.30 c1cc(c(cc1N)C#N)O TS36814 [1,1,0,0,0,0|1,0,1]=4 2113 B10R1.30 c1cc(c(cc1N)CN)O TS43947 [1,1,0,0,0,0|1,0,1]=4 2114 B10R1.30 c1cc(c(cc1O)C=O)Br TS08344 [1,1,0,0,0,0|1,0,0]=3 2115 B10R1.30 c1cc(c(cc1O)C=O)F TS00999 [1,1,0,0,0,0|1,0,0]=3 2116 B10R1.30 c1cc(c(cc1O)C=O)O TS47262 [1,1,0,0,0,0|0,0,0]=2 2117 B10R1.30 c1cc(nc(c1F)C=O)Br TS88872 [1,1,0,0,0,0|2,0,0]=4 2118 B10R1.30 c1cc(nc(c1F)C=O)Cl TS39360 [1,1,0,0,0,0|2,0,0]=4 2119 B10R1.245 C=Cc1c(cccc1Cl)Cl TS13296 [1,1,0,0,0,0|2,0,0]=4 2120 B10R1.245 COc1c(cccc1O)O TS37340 [1,1,0,0,0,0|2,0,0]=4 2121 B10R1.245 C[n+]1cccc(c1C=O)O TS50820 [1,1,0,0,0,0|1,0,0]=3 2122 B10R1.245 Cc1cccc(c1C#N)O TS16697 [1,1,0,0,0,0|1,0,1]=4 2123 B10R1.245 Cc1cccc(c1C=C)C TS36710 [1,1,0,0,0,0|2,0,0]=4 2124 B10R1.245 Cc1cccc(c1C=O)C TS47323 [1,1,0,0,0,0|1,0,0]=3 2125 B10R1.245 Cc1cccc(c1C=O)Cl TS02145 [1,1,0,0,0,0|1,0,0]=3 2126 B10R1.245 Cc1cccc(c1CO)C TS06075 [1,1,0,0,0,0|1,0,1]=4 2127 B10R1.245 Cc1ccnc(c1C=O)Cl TS10613 [1,1,0,0,0,0|2,0,0]=4 2128 B10R1.245 Cc1ccnc(c1C=O)F TS37275 [1,1,0,0,0,0|2,0,0]=4 2129 B10R1.245 Cc1cncc(c1C=O)Br TS18934 [1,1,0,0,0,0|2,0,0]=4 2130 B10R1.245 Cc1cncc(c1C=O)C TS36920 [1,1,0,0,0,0|2,0,0]=4 2131 B10R1.245 c1c(c(c(cn1)Br)C=O)Br TS68901 [1,1,0,0,0,0|2,0,0]=4 2132 B10R1.245 c1c(c(c(cn1)Cl)C=O)Cl TS65795 [1,1,0,0,0,0|2,0,0]=4 2133 B10R1.245 c1cc(c(c(c1)Br)C=O)F TS55144 [1,1,0,0,0,0|1,0,0]=3 2134 B10R1.245 c1cc(c(c(c1)Br)C=O)N TS18935 [1,1,0,0,0,0|1,0,0]=3 2135 B10R1.245 c1cc(c(c(c1)Br)C=O)O TS08363 [1,1,0,0,0,0|0,0,0]=2 2136 B10R1.245 c1cc(c(c(c1)Br)CO)F TS19892 [1,1,0,0,0,0|1,0,1]=4 2137 B10R1.245 c1cc(c(c(c1)Cl)C#N)O TS87990 [1,1,0,0,0,0|1,0,1]=4 2138 B10R1.245 c1cc(c(c(c1)Cl)C=O)Cl TS47296 [1,1,0,0,0,0|1,0,0]=3 2139 B10R1.245 c1cc(c(c(c1)Cl)C=O)F TS55255 [1,1,0,0,0,0|1,0,0]=3 2140 B10R1.245 c1cc(c(c(c1)Cl)C=O)O TS55262 [1,1,0,0,0,0|0,0,0]=2 2141 B10R1.245 c1cc(c(c(c1)Cl)CO)Cl TS47300 [1,1,0,0,0,0|1,0,1]=4 2142 B10R1.245 c1cc(c(c(c1)Cl)CO)F TS65403 [1,1,0,0,0,0|1,0,1]=4 2143 B10R1.245 c1cc(c(c(c1)F)C#N)O TS55363 [1,1,0,0,0,0|1,0,1]=4 2144 B10R1.245 c1cc(c(c(c1)F)C=O)F TS34649 [1,1,0,0,0,0|1,0,0]=3 2145 B10R1.245 c1cc(c(c(c1)F)C=O)O TS55361 [1,1,0,0,0,0|0,0,0]=2 2146 B10R1.245 c1cc(c(c(c1)F)CO)F TS59510 [1,1,0,0,0,0|1,0,1]=4 2147 B10R1.245 c1cc(c(c(c1)I)C=O)F TS01227 [1,1,0,0,0,0|1,0,0]=3 2148 B10R1.245 c1cc(c(c(c1)O)C#N)O TS05970 [1,1,0,0,0,0|1,0,1]=4 2149 B10R1.245 c1cc(c(c(c1)O)C=O)O TS06226 [1,1,0,0,0,0|0,0,0]=2 2150 B10R1.245 c1cnc(c(c1Cl)C=O)Cl TS47214 [1,1,0,0,0,0|2,0,0]=4 2151 B10R1.245 c1cnc(c(c1Cl)C=O)N TS88701 [1,1,0,0,0,0|2,0,0]=4 2152 B10R1.245 c1cnc(c(c1I)C=O)Cl TS85140 [1,1,0,0,0,0|2,0,0]=4 2153 B10R1.245 c1cnc(c(c1I)C=O)F TS55331 [1,1,0,0,0,0|2,0,0]=4 2154 B10R1.245 c1cnc(c(c1N)C=O)Cl TS32794 [1,1,0,0,0,0|2,0,0]=4 2155 B10R1.245 c1nc(c(c(n1)O)C=O)O TS02925 [1,1,0,0,0,0|2,0,0]=4 2156 B10R1.39 CCc1ccsc1C(=O)O TS41626 [0,1,0,0,1,0|2,0,0]=4 2157 B10R1.39 COc1c(cno1)C(=O)O TS40049 [0,1,0,0,1,0|2,0,0]=4 2158 B10R1.39 COc1cscc1C(=O)N TS41783 [0,1,0,0,1,0|2,0,0]=4 2159 B10R1.39 COc1cscc1C(=O)O TS09139 [0,1,0,0,1,0|1,0,0]=3 2160 B10R1.39 CSc1c(ccs1)C(=O)O TS13542 [0,1,0,0,1,0|1,1,0]=4 2161 B10R1.39 c1csc(c1C#N)C(=O)O TS41266 [0,1,0,0,1,0|2,0,0]=4 2162 B10R1.59 Cc1cc([nH]c1C(=O)O)C TS37283 [0,1,0,0,1,0|2,0,0]=4 2163 B10R1.59 Cc1cc(c([nH]1)C)C(=O)O TS07701 [0,1,0,0,1,0|2,0,0]=4 2164 B10R1.59 Cc1cc(c(o1)C)C(=O)O TS47273 [0,1,0,0,1,0|2,0,0]=4 2165 B10R1.59 Cc1cc(c(s1)C)C(=O)O TS41628 [0,1,0,0,1,0|2,0,0]=4 2166 B10R1.59 Cc1cc(c(s1)Cl)C(=O)O TS13944 [0,1,0,0,1,0|2,0,0]=4 2167 B10R1.59 c1c(c(sc1Br)Br)C(=O)O TS54881 [0,1,0,0,1,0|2,0,0]=4 2168 B10R1.59 c1c(c(sc1Cl)Cl)C(=O)O TS00669 [0,1,0,0,1,0|2,0,0]=4 2169 B10R1.149 COC(=O)c1c(cc[nH]1)Br TS92650 [0,1,0,0,1,0|2,0,0]=4 2170 B10R1.149 COC(=O)c1c(cc[nH]1)Cl TS91006 [0,1,0,0,1,0|2,0,0]=4 2171 B10R1.149 COC(=O)c1c(cco1)N TS89296 [0,1,0,0,1,0|2,0,0]=4 2172 B10R1.149 COC(=O)c1c(ccs1)Br TS56270 [0,1,0,0,1,0|2,0,0]=4 2173 B10R1.149 COC(=O)c1c(ccs1)Cl TS46190 [0,1,0,0,1,0|2,0,0]=4 2174 B10R1.149 COC(=O)c1c(ccs1)N TS08569 [0,1,0,0,1,0|2,0,0]=4 2175 B10R1.149 COC(=O)c1c(ccs1)O TS10959 [0,1,0,0,1,0|1,0,0]=3 2176 B10R1.149 COC(=O)c1cccn1N TS37356 [0,1,0,0,1,0|2,0,0]=4 2177 B10R1.149 COC(=O)c1ccsc1N TS08550 [0,1,0,0,1,0|2,0,0]=4 2178 B10R1.149 COC(=O)c1cscc1N TS41782 [0,1,0,0,1,0|2,0,0]=4 2179 B10R1.149 COC(=O)c1cscc1N TS56281 [0,1,0,0,1,0|2,0,0]=4 2180 B10R1.149 Cc1c(cco1)C(=O)OC TS06434 [0,1,0,0,1,0|2,0,0]=4 2181 B10R1.149 Cc1c(ccs1)C(=O)OC TS39900 [0,1,0,0,1,0|2,0,0]=4 2182 B10R1.149 Cc1cc[nH]c1C(=O)OC TS89995 [0,1,0,0,1,0|2,0,0]=4 2183 B10R1.149 Cc1ccoc1C(=O)OC TS06432 [0,1,0,0,1,0|2,0,0]=4 2184 B10R1.149 Cc1ccsc1C(=O)OC TS56278 [0,1,0,0,1,0|2,0,0]=4 2185 B10R1.149 Cn1cccc1C(=O)OC TS37280 [0,1,0,0,1,0|2,0,0]=4 2186 B10R1.192 Cc1c[nH]c(c1C(=O)O)C TS00647 [0,1,0,0,1,0|2,0,0]=4 2187 B10R1.192 Cc1csc(c1C(=O)O)N TS10854 [0,1,0,0,1,0|2,0,0]=4 2188 B10R1.192 c1(c(nsc1S)O)C(=O)O TS57834 [0,1,0,0,1,0|2,0,0]=4 2189 B10R1.194 Cc1c(csc1C(=O)O)Br TS49901 [0,1,0,0,1,0|2,0,0]=4 2190 B10R1.194 Cc1c[nH]c(c1C)C(=O)O TS87260 [0,1,0,0,1,0|2,0,0]=4 2191 B10R1.194 c1c(c(c([nH]1)C(=O)O)F)F TS89314 [0,1,0,0,1,0|2,0,0]=4 2192 B10R1.194 c1c(c(c(s1)Cl)Cl)C(=O)O TS18405 [0,1,0,0,1,0|2,0,0]=4 2193 B12R1.75 CC(=O)Cc1ccccc1OC TS11859 [0,1,0,0,0,1|1,0,0]=3 2194 B12R1.75 CC(=O)Oc1ccccc1C#N TS11378 [0,1,0,0,0,1|2,0,0]=4 2195 B12R1.75 CC(=O)Oc1ccccc1CCl TS48665 [0,1,0,0,0,1|2,0,0]=4 2196 B12R1.75 CC(=O)Oc1ccccc1OC TS12204 [0,1,0,0,0,1|1,0,0]=3 2197 B12R1.75 CCc1ccccc1OC(=O)C TS11875 [0,1,0,0,0,1|2,0,0]=4 2198 B12R1.75 COc1ccccc1CC(=O)N TS12009 [0,1,0,0,0,1|1,0,0]=3 2199 B12R1.75 COc1ccccc1CC(=O)O TS02019 [0,1,0,0,0,1|0,0,0]=2 2200 B12R1.75 COc1ccccc1NC(=N)N TS12041 [0,1,0,0,0,1|2,0,0]=4 2201 B12R1.75 COc1ccccc1NC(=N)N TS19288 [0,1,0,0,0,1|2,0,0]=4 2202 B12R1.75 COc1ccccc1OC(=O)O TS74445 [0,1,0,0,0,1|0,0,0]=2 2203 B12R1.75 c1ccc(c(c1)CC(=O)O)C#N TS02151 [0,1,0,0,0,1|1,0,0]=3 2204 B12R1.75 c1ccc(c(c1)CC(=O)O)CCl TS00231 [0,1,0,0,0,1|1,0,0]=3 2205 B12R1.75 c1ccc(c(c1)CC(=O)O)CN TS08245 [0,1,0,0,0,1|1,0,0]=3 2206 B12R1.75 c1ccc(c(c1)CC(=O)O)CN TS08960 [0,1,0,0,0,1|1,0,0]=3 2207 B12R1.124 CC(c1ccccc1Cl)C(=O)O TS15383 [0,1,0,0,0,1|1,0,0]=3 2208 B12R1.124 CC(c1ccccc1O)C(=O)O TS12173 [0,1,0,0,0,1|0,0,0]=2 2209 B12R1.124 c1ccc(c(c1)C(=O)C(=O)O)F TS12471 [0,1,0,0,0,1|1,0,0]=3 2210 B12R1.124 c1ccc(c(c1)C(C(=O)O)Br)Cl TS09017 [0,1,0,0,0,1|1,0,0]=3 2211 B12R1.124 c1ccc(c(c1)C(C(=O)O)Br)Cl TS93283 [0,1,0,0,0,1|1,0,0]=3 2212 B12R1.124 c1ccc(c(c1)C(C(=O)O)N)Br TS24813 [0,1,0,0,0,1|1,0,0]=3 2213 B12R1.124 c1ccc(c(c1)C(C(=O)O)N)O TS12360 [0,1,0,0,0,1|0,0,0]=2 2214 B12R1.124 c1ccc(c(c1)C(C(=O)O)O)Br TS53123 [0,1,0,0,0,1|1,0,0]=3 2215 B12R1.124 c1ccc(c(c1)C(C(=O)O)O)Cl TS07850 [0,1,0,0,0,1|1,0,0]=3 2216 B12R1.124 c1ccc(c(c1)C(C(=O)O)O)F TS45081 [0,1,0,0,0,1|1,0,0]=3 2217 B12R1.124 c1ccc(c(c1)[C@@H](C(=O)O)N)O TS12355 [0,1,0,0,0,1|0,0,0]=2 2218 B12R1.124 c1ccc(c(c1)[C@@H](C(=O)O)O)Cl TS22968 [0,1,0,0,0,1|1,0,0]=3 2219 B12R1.124 c1ccc(c(c1)[C@H](C(=O)O)N)Cl TS01411 [0,1,0,0,0,1|1,0,0]=3 2220 B12R1.124 c1ccc(c(c1)[C@H](C(=O)O)N)O TS43197 [0,1,0,0,0,1|0,0,0]=2 2221 B12R1.124 c1ccc(c(c1)[C@H](C(=O)O)O)Cl TS22962 [0,1,0,0,0,1|1,0,0]=3 2222 B12R1.127 CC(=O)Nc1cc(ccc1Cl)Cl TS19676 [0,1,0,0,0,1|2,0,0]=4 2223 B12R1.127 CC(=O)Nc1cc(ccc1F)F TS12967 [0,1,0,0,0,1|2,0,0]=4 2224 B12R1.127 CC(=O)Nc1cc(ccc1O)Cl TS07914 [0,1,0,0,0,1|1,0,0]=3 2225 B12R1.127 Cc1ccc(c(c1)CC(=O)C)C TS42485 [0,1,0,0,0,1|2,0,0]=4 2226 B12R1.127 Cc1ccc(c(c1)NC(=O)C)O TS65018 [0,1,0,0,0,1|1,0,0]=3 2227 B12R1.127 Cc1ccc(c(c1)OC(=O)C)C TS11870 [0,1,0,0,0,1|2,0,0]=4 2228 B12R1.127 Cc1ccc(cc1CC(=O)O)F TS44845 [0,1,0,0,0,1|1,0,0]=3 2229 B12R1.127 Cc1ccc(cc1NC(=O)C)Cl TS48487 [0,1,0,0,0,1|2,0,0]=4 2230 B12R1.127 Cc1ccc(cc1NC(=O)C)N TS39253 [0,1,0,0,0,1|2,0,0]=4 2231 B12R1.127 c1cc(c(cc1Br)CC(=O)O)F TS53408 [0,1,0,0,0,1|1,0,0]=3 2232 B12R1.127 c1cc(c(cc1Cl)CC(=O)O)Br TS55122 [0,1,0,0,0,1|1,0,0]=3 2233 B12R1.127 c1cc(c(cc1Cl)CC(=O)O)F TS16077 [0,1,0,0,0,1|1,0,0]=3 2234 B12R1.127 c1cc(c(cc1F)CC(=O)O)Br TS53409 [0,1,0,0,0,1|1,0,0]=3 2235 B12R1.127 c1cc(c(cc1F)CC(=O)O)Cl TS09285 [0,1,0,0,0,1|1,0,0]=3 2236 B12R1.127 c1cc(c(cc1F)CC(=O)O)F TS45421 [0,1,0,0,0,1|1,0,0]=3 2237 B12R1.127 c1cc(c(cc1O)CC(=O)O)O TS12477 [0,1,0,0,0,1|0,0,0]=2 2238 B12R1.224 Cc1c(cccc1Br)NC(=O)C TS24464 [0,1,0,0,0,1|2,0,0]=4 2239 B12R1.224 Cc1c(cccc1Cl)NC(=O)C TS48488 [0,1,0,0,0,1|2,0,0]=4 2240 B12R1.224 Cc1cccc(c1C)CC(=O)O TS65317 [0,1,0,0,0,1|1,0,0]=3 2241 B12R1.224 Cc1cccc(c1C)NC(=O)C TS11715 [0,1,0,0,0,1|2,0,0]=4 2242 B12R1.224 c1cc(c(c(c1)Cl)Cl)CC(=O)O TS19896 [0,1,0,0,0,1|1,0,0]=3 2243 B12R1.224 c1cc(c(c(c1)Cl)Cl)NC(=O)N TS38738 [0,1,0,0,0,1|2,0,0]=4 2244 B12R1.224 c1cc(c(c(c1)Cl)F)CC(=O)O TS16083 [0,1,0,0,0,1|1,0,0]=3 2245 B12R1.224 c1cc(c(c(c1)F)F)CC(=O)O TS00560 [0,1,0,0,0,1|1,0,0]=3 2246 B12R1.233 CC(=O)Cc1ccc(cc1Cl)Cl TS19514 [0,1,0,0,0,1|2,0,0]=4 2247 B12R1.233 CC(=O)Cc1ccc(cc1Cl)F TS48999 [0,1,0,0,0,1|2,0,0]=4 2248 B12R1.233 CC(=O)Nc1ccc(cc1Br)Br TS35572 [0,1,0,0,0,1|2,0,0]=4 2249 B12R1.233 CC(=O)Nc1ccc(cc1Br)Cl TS62639 [0,1,0,0,0,1|2,0,0]=4 2250 B12R1.233 CC(=O)Nc1ccc(cc1Br)F TS53262 [0,1,0,0,0,1|2,0,0]=4 2251 B12R1.233 CC(=O)Nc1ccc(cc1Cl)Br TS62638 [0,1,0,0,0,1|2,0,0]=4 2252 B12R1.233 CC(=O)Nc1ccc(cc1Cl)Cl TS19672 [0,1,0,0,0,1|2,0,0]=4 2253 B12R1.233 CC(=O)Nc1ccc(cc1Cl)F TS15864 [0,1,0,0,0,1|2,0,0]=4 2254 B12R1.233 CC(=O)Nc1ccc(cc1Cl)N TS48672 [0,1,0,0,0,1|2,0,0]=4 2255 B12R1.233 CC(=O)Nc1ccc(cc1F)Br TS53265 [0,1,0,0,0,1|2,0,0]=4 2256 B12R1.233 CC(=O)Nc1ccc(cc1F)Cl TS15870 [0,1,0,0,0,1|2,0,0]=4 2257 B12R1.233 CC(=O)Nc1ccc(cc1F)F TS12962 [0,1,0,0,0,1|2,0,0]=4 2258 B12R1.233 CC(=O)Oc1ccc(cc1Cl)Cl TS19905 [0,1,0,0,0,1|2,0,0]=4 2259 B12R1.233 Cc1cc(ccc1CC(=O)O)F TS39492 [0,1,0,0,0,1|1,0,0]=3 2260 B12R1.233 Cc1cc(ccc1NC(=O)C)Br TS24465 [0,1,0,0,0,1|2,0,0]=4 2261 B12R1.233 Cc1cc(ccc1NC(=O)C)Cl TS48492 [0,1,0,0,0,1|2,0,0]=4 2262 B12R1.233 Cc1cc(ccc1NC(=O)C)I TS33670 [0,1,0,0,0,1|2,0,0]=4 2263 B12R1.233 Cc1cc(ccc1NC(=O)C)N TS42765 [0,1,0,0,0,1|2,0,0]=4 2264 B12R1.233 Cc1ccc(c(c1)Br)NC(=O)C TS24456 [0,1,0,0,0,1|2,0,0]=4 2265 B12R1.233 Cc1ccc(c(c1)C)NC(=O)N TS11899 [0,1,0,0,0,1|2,0,0]=4 2266 B12R1.233 Cc1ccc(c(c1)N)NC(=O)C TS11904 [0,1,0,0,0,1|2,0,0]=4 2267 B12R1.233 c1c(c(cnc1Cl)CC(=O)O)Cl TS20081 [0,1,0,0,0,1|2,0,0]=4 2268 B12R1.233 c1c(cnc(c1N)CC(=O)O)Br TS25005 [0,1,0,0,0,1|2,0,0]=4 2269 B12R1.233 c1cc(c(cc1Br)F)CC(=O)O TS16944 [0,1,0,0,0,1|1,0,0]=3 2270 B12R1.233 c1cc(c(cc1Cl)Br)CC(=O)O TS16843 [0,1,0,0,0,1|1,0,0]=3 2271 B12R1.233 c1cc(c(cc1Cl)Cl)CC(=O)Cl TS50369 [0,1,0,0,0,1|2,0,0]=4 2272 B12R1.233 c1cc(c(cc1Cl)Cl)CC(=O)O TS19904 [0,1,0,0,0,1|1,0,0]=3 2273 B12R1.233 c1cc(c(cc1Cl)Cl)NC(=O)N TS38744 [0,1,0,0,0,1|2,0,0]=4 2274 B12R1.233 c1cc(c(cc1Cl)F)CC(=O)O TS39486 [0,1,0,0,0,1|1,0,0]=3 2275 B12R1.233 c1cc(c(cc1F)Br)CC(=O)O TS08321 [0,1,0,0,0,1|1,0,0]=3 2276 B12R1.233 c1cc(c(cc1F)Cl)CC(=O)O TS55214 [0,1,0,0,0,1|1,0,0]=3 2277 B12R1.233 c1cc(c(cc1F)Cl)OC(=O)O TS17183 [0,1,0,0,0,1|1,0,0]=3 2278 B12R1.233 c1cc(c(cc1F)F)CC(=O)O TS00637 [0,1,0,0,0,1|1,0,0]=3 2279 B12R1.233 c1cc(c(cc1O)F)CC(=O)O TS08416 [0,1,0,0,0,1|1,0,0]=3 2280 B12R1.371 CNC(=O)Oc1ccccc1Cl TS15517 [0,1,0,0,0,1|2,0,0]=4 2281 B12R1.371 COC(=O)Cc1c(cccn1)Br TS88741 [0,1,0,0,0,1|2,0,0]=4 2282 B12R1.371 COC(=O)Cc1ccccc1Br TS52795 [0,1,0,0,0,1|1,0,0]=3 2283 B12R1.371 COC(=O)Cc1ccccc1F TS02004 [0,1,0,0,0,1|1,0,0]=3 2284 B12R1.371 COC(=O)Cc1ccccc1N TS38170 [0,1,0,0,0,1|1,0,0]=3 2285 B12R1.371 COC(=O)Cc1ccccc1N TS39893 [0,1,0,0,0,1|1,0,0]=3 2286 B12R1.371 COC(=O)Cc1ccccc1O TS12181 [0,1,0,0,0,1|0,0,0]=2 2287 B12R1.371 Cc1ccccc1CC(=O)OC TS11862 [0,1,0,0,0,1|1,0,0]=3 2288 B12R1.371 Cc1ccccc1NC(=O)CBr TS24455 [0,1,0,0,0,1|2,0,0]=4 2289 B12R1.371 c1ccc(c(c1)CC(=O)NN)Cl TS48674 [0,1,0,0,0,1|2,0,0]=4 2290 B12R1.371 c1ccc(c(c1)NC(=O)CBr)Cl TS62636 [0,1,0,0,0,1|2,0,0]=4 2291 B12R1.371 c1ccc(c(c1)NC(=O)CCl)Cl TS19680 [0,1,0,0,0,1|2,0,0]=4 2292 B12R1.371 c1ccc(c(c1)NC(=O)CCl)F TS15865 [0,1,0,0,0,1|2,0,0]=4 2293 B12R1.371 c1ccc(c(c1)NC(=O)NN)Cl TS48797 [0,1,0,0,0,1|2,0,0]=4 2294 B12R1.1009 CC(=O)Cc1c(cccc1Cl)Cl TS19508 [0,1,0,0,0,1|2,0,0]=4 2295 B12R1.1009 CC(=O)Cc1c(cccc1Cl)F TS48996 [0,1,0,0,0,1|2,0,0]=4 2296 B12R1.1009 CC(=O)Nc1c(cccc1Cl)Cl TS19679 [0,1,0,0,0,1|2,0,0]=4 2297 B12R1.1009 CC(=O)Nc1c(cccc1F)F TS12966 [0,1,0,0,0,1|2,0,0]=4 2298 B12R1.1009 CC(=O)Oc1c(cccc1Cl)Cl TS19900 [0,1,0,0,0,1|2,0,0]=4 2299 B12R1.1009 Cc1cccc(c1NC(=O)C)C TS11722 [0,1,0,0,0,1|2,0,0]=4 2300 B12R1.1009 Cc1cccc(c1NC(=O)C)Cl TS48482 [0,1,0,0,0,1|2,0,0]=4 2301 B12R1.1009 c1cc(c(c(c1)Cl)CC(=O)N)Cl TS19671 [0,1,0,0,0,1|2,0,0]=4 2302 B12R1.1009 c1cc(c(c(c1)Cl)CC(=O)O)Cl TS47297 [0,1,0,0,0,1|1,0,0]=3 2303 B12R1.1009 c1cc(c(c(c1)Cl)CC(=O)O)F TS09637 [0,1,0,0,0,1|1,0,0]=3 2304 B12R1.1009 c1cc(c(c(c1)F)CC(=O)O)F TS59933 [0,1,0,0,0,1|1,0,0]=3 2305 B12R1.46 B(c1cc(ccc1OC)Br)(O)O TS24997 [0,2,0,0,0,0|1,0,1]=4 2306 B12R1.46 B(c1cc(ccc1OC)C)(O)O TS01095 [0,2,0,0,0,0|1,0,1]=4 2307 B12R1.46 B(c1cc(ccc1OC)Cl)(O)O TS71501 [0,2,0,0,0,0|1,0,1]=4 2308 B12R1.46 B(c1cc(ccc1OC)O)(O)O TS08708 [0,2,0,0,0,0|1,0,1]=4 2309 B12R1.46 CC(=O)c1cc(ccc1OC)Br TS59718 [0,2,0,0,0,0|1,0,0]=3 2310 B12R1.46 CC(=O)c1cc(ccc1OC)Cl TS48663 [0,2,0,0,0,0|1,0,0]=3 2311 B12R1.46 CC(=O)c1cc(ccc1OC)F TS44857 [0,2,0,0,0,0|1,0,0]=3 2312 B12R1.46 COc1c(cc(cn1)Br)C(=O)O TS09789 [0,2,0,0,0,0|1,0,0]=3 2313 B12R1.46 COc1c(cc(cn1)Cl)C(=O)O TS50610 [0,2,0,0,0,0|1,0,0]=3 2314 B12R1.46 COc1c(cc(cn1)F)C(=O)O TS65161 [0,2,0,0,0,0|1,0,0]=3 2315 B12R1.46 COc1ccc(cc1C(=O)Cl)Cl TS60432 [0,2,0,0,0,0|1,0,0]=3 2316 B12R1.46 COc1ccc(cc1C(=O)O)Br TS09788 [0,2,0,0,0,0|0,0,0]=2 2317 B12R1.46 COc1ccc(cc1C(=O)O)Cl TS15707 [0,2,0,0,0,0|0,0,0]=2 2318 B12R1.46 COc1ccc(cc1C(=O)O)F TS71542 [0,2,0,0,0,0|0,0,0]=2 2319 B12R1.46 COc1ccc(cc1[N+](=O)[O-])Br TS00012 [0,2,0,0,0,0|1,0,1]=4 2320 B12R1.46 COc1ccc(cc1[N+](=O)[O-])Cl TS50616 [0,2,0,0,0,0|1,0,1]=4 2321 B12R1.46 COc1ccc(cc1[N+](=O)[O-])F TS60399 [0,2,0,0,0,0|1,0,1]=4 2322 B12R1.46 COc1ccc(cc1[N+](=O)[O-])I TS54203 [0,2,0,0,0,0|1,0,1]=4 2323 B12R1.46 COc1ccc(cc1[N+](=O)[O-])N TS09136 [0,2,0,0,0,0|1,0,1]=4 2324 B12R1.46 COc1ccc(cc1[N+](=O)[O-])O TS60410 [0,2,0,0,0,0|1,0,1]=4 2325 B12R1.46 Cc1ccc(c(c1)C(=S)O)OC TS54029 [0,2,0,0,0,0|0,1,0]=3 2326 B12R1.46 Cc1ccc(c(c1)[N+](=O)[O-])CO TS12358 [0,2,0,0,0,0|1,0,1]=4 2327 B12R1.46 Cc1ccc(c(c1)[N+](=O)[O-])OC TS71216 [0,2,0,0,0,0|1,0,1]=4 2328 B12R1.46 Cc1ncc(c(n1)C(=O)O)OC TS89724 [0,2,0,0,0,0|2,0,0]=4 2329 B12R1.46 c1cc(c(cc1Br)[N+](=O)[O-])CO TS60389 [0,2,0,0,0,0|1,0,1]=4 2330 B12R1.46 c1cc(c(cc1Cl)[N+](=O)[O-])CO TS39491 [0,2,0,0,0,0|1,0,1]=4 2331 B12R1.46 c1cc(c(cc1F)C(=O)O)C#N TS65409 [0,2,0,0,0,0|1,0,0]=3 2332 B12R1.57 B(c1ccc(cc1OC)Cl)(O)O TS03052 [0,2,0,0,0,0|1,0,1]=4 2333 B12R1.57 B(c1ccc(cc1OC)F)(O)O TS59615 [0,2,0,0,0,0|1,0,1]=4 2334 B12R1.57 CC(=O)c1ccc(cc1OC)F TS46717 [0,2,0,0,0,0|1,0,0]=3 2335 B12R1.57 COc1cc(ccc1C(=O)O)Br TS59606 [0,2,0,0,0,0|0,0,0]=2 2336 B12R1.57 COc1cc(ccc1C(=O)O)Cl TS01848 [0,2,0,0,0,0|0,0,0]=2 2337 B12R1.57 COc1cc(ccc1C(=O)O)F TS59614 [0,2,0,0,0,0|0,0,0]=2 2338 B12R1.57 COc1cc(ccc1C(=O)O)N TS01091 [0,2,0,0,0,0|0,0,0]=2 2339 B12R1.57 COc1cc(ccc1[N+](=O)[O-])Cl TS03256 [0,2,0,0,0,0|1,0,1]=4 2340 B12R1.57 COc1cc(ccc1[N+](=O)[O-])F TS03304 [0,2,0,0,0,0|1,0,1]=4 2341 B12R1.57 Cc1ccc(c(c1)CO)[N+](=O)[O-] TS43215 [0,2,0,0,0,0|1,0,1]=4 2342 B12R1.57 Cc1ccc(c(c1)OC)C(=O)O TS71229 [0,2,0,0,0,0|0,0,0]=2 2343 B12R1.57 Cc1ccc(c(c1)OC)[N+](=O)[O-] TS08709 [0,2,0,0,0,0|1,0,1]=4 2344 B12R1.57 c1cc(c(cc1Cl)CO)[N+](=O)[O-] TS50618 [0,2,0,0,0,0|1,0,1]=4 2345 B12R1.57 c1cc(c(cc1O)CO)[N+](=O)[O-] TS12644 [0,2,0,0,0,0|1,0,1]=4 2346 B12R1.76 COc1ccccc1S(=O)(=O)Cl TS01102 [0,2,0,0,0,0|1,0,1]=4 2347 B12R1.76 COc1ccccc1S(=O)(=O)N TS50553 [0,2,0,0,0,0|1,0,1]=4 2348 B12R1.77 CCc1ccccc1C(=O)CC TS42486 [0,2,0,0,0,0|2,0,0]=4 2349 B12R1.77 CNc1ccccc1C(=O)OC TS42906 [0,2,0,0,0,0|1,0,0]=3 2350 B12R1.77 COC(=O)c1c(cccn1)C#N TS11509 [0,2,0,0,0,0|2,0,0]=4 2351 B12R1.77 COC(=O)c1c(cccn1)CBr TS24814 [0,2,0,0,0,0|2,0,0]=4 2352 B12R1.77 COC(=O)c1ccccc1C#N TS56253 [0,2,0,0,0,0|1,0,0]=3 2353 B12R1.77 COC(=O)c1ccccc1C=O TS56257 [0,2,0,0,0,0|0,0,1]=3 2354 B12R1.77 COC(=O)c1ccccc1CBr TS00850 [0,2,0,0,0,0|1,0,0]=3 2355 B12R1.77 COC(=O)c1ccccc1CCl TS15378 [0,2,0,0,0,0|1,0,0]=3 2356 B12R1.77 COC(=O)c1ccccc1CI TS31078 [0,2,0,0,0,0|1,0,0]=3 2357 B12R1.77 COC(=O)c1ccccc1CN TS19283 [0,2,0,0,0,0|1,0,0]=3 2358 B12R1.77 COC(=O)c1ccccc1CO TS43040 [0,2,0,0,0,0|0,0,0]=2 2359 B12R1.77 COC(=O)c1ccccc1NN TS38357 [0,2,0,0,0,0|1,0,0]=3 2360 B12R1.77 COC(=O)c1ccccc1SC TS14999 [0,2,0,0,0,0|0,1,0]=3 2361 B12R1.77 COC(=O)c1cccnc1C#N TS11519 [0,2,0,0,0,0|2,0,0]=4 2362 B12R1.77 COc1c(cccn1)C(=O)OC TS86112 [0,2,0,0,0,0|1,0,0]=3 2363 B12R1.77 COc1ccccc1C(=O)C#N TS11376 [0,2,0,0,0,0|1,0,0]=3 2364 B12R1.77 COc1ccccc1C(=O)C=O TS14923 [0,2,0,0,0,0|0,0,1]=3 2365 B12R1.77 COc1ccccc1C(=O)CBr TS52784 [0,2,0,0,0,0|1,0,0]=3 2366 B12R1.77 COc1ccccc1C(=O)CO TS43048 [0,2,0,0,0,0|0,0,0]=2 2367 B12R1.77 COc1ccccc1C(=O)NN TS12207 [0,2,0,0,0,0|1,0,0]=3 2368 B12R1.77 COc1ccccc1C(=O)OC TS12172 [0,2,0,0,0,0|0,0,0]=2 2369 B12R1.77 COc1ccccc1C(CN)O TS38513 [0,2,0,0,0,0|1,0,1]=4 2370 B12R1.77 COc1cccnc1C(=O)OC TS02828 [0,2,0,0,0,0|1,0,0]=3 2371 B12R1.77 c1ccc(c(c1)C#N)C(=O)CBr TS50417 [0,2,0,0,0,0|2,0,0]=4 2372 B12R1.87 B(c1cccc(c1OC)Cl)(O)O TS48979 [0,2,0,0,0,0|1,0,1]=4 2373 B12R1.87 B(c1cccc(c1OC)F)(O)O TS16365 [0,2,0,0,0,0|1,0,1]=4 2374 B12R1.87 COc1c(cccc1Br)C(=O)O TS22771 [0,2,0,0,0,0|0,0,0]=2 2375 B12R1.87 COc1c(cccc1Cl)[N+](=O)[O-] TS65406 [0,2,0,0,0,0|1,0,1]=4 2376 B12R1.87 COc1c(cccc1F)C(=O)O TS09367 [0,2,0,0,0,0|0,0,0]=2 2377 B12R1.87 COc1c(cccc1F)[N+](=O)[O-] TS45274 [0,2,0,0,0,0|1,0,1]=4 2378 B12R1.87 COc1c(cccc1O)C(=O)O TS44820 [0,2,0,0,0,0|0,0,0]=2 2379 B12R1.87 Cc1cccc(c1OC)C(=O)O TS12202 [0,2,0,0,0,0|0,0,0]=2 2380 B12R1.87 c1cc(c(c(c1)Cl)CO)[N+](=O)[O-] TS22999 [0,2,0,0,0,0|1,0,1]=4 2381 B12R1.261 B(c1ccccc1C(=O)C)(O)O TS08260 [0,2,0,0,0,0|1,0,0]=3 2382 B12R1.261 B(c1ccccc1C(=O)N)(O)O TS59936 [0,2,0,0,0,0|1,0,0]=3 2383 B12R1.261 B(c1ccccc1C(=O)O)(O)O TS47122 [0,2,0,0,0,0|0,0,0]=2 2384 B12R1.261 B(c1ccccc1[N+](=O)[O-])(O)O TS59586 [0,2,0,0,0,0|1,0,1]=4 2385 B12R1.261 CC(=O)c1c(cccn1)C(=O)O TS08259 [0,2,0,0,0,0|1,0,1]=4 2386 B12R1.261 CC(=O)c1ccccc1C(=O)C TS42455 [0,2,0,0,0,0|1,0,1]=4 2387 B12R1.261 CC(=O)c1ccccc1C(=O)O TS09261 [0,2,0,0,0,0|0,0,1]=3 2388 B12R1.261 CC(=O)c1ccccc1[N+](=O)[O-] TS01618 [0,2,0,0,0,0|1,0,1]=4 2389 B12R1.261 CN(C)c1ccccc1C(=O)O TS12017 [0,2,0,0,0,0|1,0,0]=3 2390 B12R1.261 c1c(c(cnn1)C(=O)O)C(=O)O TS12463 [0,2,0,0,0,0|2,0,0]=4 2391 B12R1.261 c1c(c(ncn1)C(=O)O)C(=O)O TS12460 [0,2,0,0,0,0|2,0,0]=4 2392 B12R1.261 c1cc(c(nc1)C(=O)N)C(=O)O TS12144 [0,2,0,0,0,0|1,0,1]=4 2393 B12R1.261 c1cc(c(nc1)C(=O)O)C(=O)N TS12148 [0,2,0,0,0,0|1,0,1]=4 2394 B12R1.261 c1cc(c(nc1)C(=O)O)C(=O)O TS47174 [0,2,0,0,0,0|1,0,0]=3 2395 B12R1.261 c1cc(c(nc1)C(=O)O)[N+](=O)[O-] TS70691 [0,2,0,0,0,0|1,0,1]=4 2396 B12R1.261 c1cc(c(nc1)C(=O)O)[N+](=O)[O-] TS76014 [0,2,0,0,0,0|1,0,1]=4 2397 B12R1.261 c1cc(c(nc1)[N+](=O)[O-])C(=O)O TS09393 [0,2,0,0,0,0|1,0,1]=4 2398 B12R1.261 c1ccc(c(c1)C(=O)Cl)C(=O)Cl TS59346 [0,2,0,0,0,0|1,0,1]=4 2399 B12R1.261 c1ccc(c(c1)C(=O)Cl)[N+](=O)[O-] TS09389 [0,2,0,0,0,0|1,0,1]=4 2400 B12R1.261 c1ccc(c(c1)C(=O)N)C(=O)N TS11837 [0,2,0,0,0,0|1,0,1]=4 2401 B12R1.261 c1ccc(c(c1)C(=O)N)C(=O)O TS11988 [0,2,0,0,0,0|0,0,1]=3 2402 B12R1.261 c1ccc(c(c1)C(=O)N)[N+](=O)[O-] TS12150 [0,2,0,0,0,0|1,0,1]=4 2403 B12R1.261 c1ccc(c(c1)C(=O)O)C(=O)O TS12138 [0,2,0,0,0,0|0,0,0]=2 2404 B12R1.261 c1ccc(c(c1)C(=O)O)C(=O)O TS29343 [0,2,0,0,0,0|0,0,0]=2 2405 B12R1.261 c1ccc(c(c1)C(=O)O)C(=O)[O-] TS26372 [0,2,0,0,0,0|0,0,1]=3 2406 B12R1.261 c1ccc(c(c1)C(=O)O)I(=O)=O TS01086 [0,2,0,0,0,0|0,0,1]=3 2407 B12R1.261 c1ccc(c(c1)C(=O)O)[N+](=O)[O-] TS00109 [0,2,0,0,0,0|0,0,1]=3 2408 B12R1.261 c1ccc(c(c1)C(=O)[O-])C(=O)[O-] TS26886 [0,2,0,0,0,0|0,0,2]=4 2409 B12R1.261 c1ccc(c(c1)C(=O)[O-])C(=O)[O-] TS37873 [0,2,0,0,0,0|0,0,2]=4 2410 B12R1.261 c1ccc(c(c1)C(=O)[O-])C(=O)[O-] TS50083 [0,2,0,0,0,0|0,0,2]=4 2411 B12R1.261 c1ccc(c(c1)C(=O)[O-])[N+](=O)[O-] TS50861 [0,2,0,0,0,0|0,0,2]=4 2412 B12R1.261 c1cnc(c(n1)C(=O)O)C(=O)O TS01662 [0,2,0,0,0,0|2,0,0]=4 2413 B12R1.261 c1cncc(c1C(=O)O)C(=O)O TS65770 [0,2,0,0,0,0|1,0,0]=3 2414 B12R1.261 c1cncc(c1C(=O)O)[N+](=O)[O-] TS02866 [0,2,0,0,0,0|1,0,1]=4 2415 B12R1.261 c1cncc(c1[N+](=O)[O-])C(=O)O TS12458 [0,2,0,0,0,0|1,0,1]=4 2416 B12R1.283 B(c1ccccc1COC)(O)O TS12130 [0,2,0,0,0,0|1,0,1]=4 2417 B12R1.283 B(c1ccccc1OCC)(O)O TS07952 [0,2,0,0,0,0|1,0,1]=4 2418 B12R1.283 CCOc1c(cccn1)C(=O)O TS12351 [0,2,0,0,0,0|1,0,0]=3 2419 B12R1.283 CCOc1ccccc1C(=N)N TS38016 [0,2,0,0,0,0|2,0,0]=4 2420 B12R1.283 CCOc1ccccc1C(=O)C TS42746 [0,2,0,0,0,0|1,0,0]=3 2421 B12R1.283 CCOc1ccccc1C(=O)Cl TS15376 [0,2,0,0,0,0|1,0,0]=3 2422 B12R1.283 CCOc1ccccc1C(=O)N TS12028 [0,2,0,0,0,0|1,0,0]=3 2423 B12R1.283 CCOc1ccccc1C(=O)O TS43046 [0,2,0,0,0,0|0,0,0]=2 2424 B12R1.283 CCOc1ccccc1[N+](=O)[O-] TS12361 [0,2,0,0,0,0|1,0,1]=4 2425 B12R1.283 CCSc1ccccc1C(=O)O TS15001 [0,2,0,0,0,0|0,1,0]=3 2426 B12R1.283 c1ccc(c(c1)C=NO)[N+](=O)[O-] TS12151 [0,2,0,0,0,0|1,0,1]=4 2427 B12R1.283 c1ccc(c(c1)CC#N)C(=O)O TS11369 [0,2,0,0,0,0|1,0,0]=3 2428 B12R1.283 c1ccc(c(c1)CCO)[N+](=O)[O-] TS09394 [0,2,0,0,0,0|1,0,1]=4 2429 B12R1.283 c1ccc(c(c1)CO[NH3+])[N+](=O)[O-] TS19866 [0,2,0,0,0,0|1,0,1]=4 2430 B12R1.437 B(c1c(cccc1Cl)OC)(O)O TS46396 [0,2,0,0,0,0|1,0,1]=4 2431 B12R1.437 B(c1c(cccc1F)OC)(O)O TS45074 [0,2,0,0,0,0|1,0,1]=4 2432 B12R1.437 CC(=O)c1c(cccc1F)OC TS44843 [0,2,0,0,0,0|1,0,0]=3 2433 B12R1.437 CC(=O)c1c(cccc1OC)O TS01057 [0,2,0,0,0,0|1,0,0]=3 2434 B12R1.437 COc1cccc(c1C(=O)Cl)F TS16084 [0,2,0,0,0,0|1,0,0]=3 2435 B12R1.437 COc1cccc(c1C(=O)O)Br TS08816 [0,2,0,0,0,0|0,0,0]=2 2436 B12R1.437 COc1cccc(c1C(=O)O)F TS65424 [0,2,0,0,0,0|0,0,0]=2 2437 B12R1.437 COc1cccc(c1C(=O)O)N TS55613 [0,2,0,0,0,0|0,0,0]=2 2438 B12R1.437 COc1cccc(c1C(=O)O)O TS12479 [0,2,0,0,0,0|0,0,0]=2 2439 B12R1.437 Cc1cccc(c1C(=O)Br)CBr TS58224 [0,2,0,0,0,0|2,0,0]=4 2440 B12R1.437 Cc1cccc(c1C(=O)O)OC TS16704 [0,2,0,0,0,0|0,0,0]=2 2441 B12R1.437 Cc1cccc(c1[N+](=O)[O-])CO TS43198 [0,2,0,0,0,0|1,0,1]=4 2442 B12R1.437 Cc1cccc(c1[N+](=O)[O-])OC TS12365 [0,2,0,0,0,0|1,0,1]=4 2443 B12R1.437 c1cc(c(c(c1)F)C(=O)O)C#N TS85602 [0,2,0,0,0,0|1,0,0]=3 2444 B12R1.126 Cc1cc(ccc1S(=O)(=O)O)N TS50556 [0,2,0,0,0,0|2,0,0]=4 2445 B12R1.126 Cc1ccc(c(c1)C)S(=O)(=O)O TS48909 [0,2,0,0,0,0|2,0,0]=4 2446 B12R1.126 c1cc(c(cc1N)N)S(=O)(=O)O TS15962 [0,2,0,0,0,0|2,0,0]=4 2447 B12R1.128 Cc1ccc(c(c1)S(=O)(=O)O)C TS23493 [0,2,0,0,0,0|2,0,0]=4 2448 B12R1.128 Cc1ccc(c(c1)S(=O)(=O)O)C TS48911 [0,2,0,0,0,0|2,0,0]=4 2449 B12R1.128 Cc1ccc(c(c1)S(=O)(=O)O)N TS01803 [0,2,0,0,0,0|2,0,0]=4 2450 B12R1.128 Cc1ccc(cc1S(=O)(=O)O)N TS71369 [0,2,0,0,0,0|2,0,0]=4 2451 B12R1.128 c1cc(c(cc1Cl)S(=O)(=O)O)Cl TS24318 [0,2,0,0,0,0|2,0,0]=4 2452 B12R1.128 c1cc(c(cc1Cl)S(=O)(=O)O)N TS20437 [0,2,0,0,0,0|2,0,0]=4 2453 B12R1.128 c1cc(c(cc1Cl)S(=O)(=O)O)O TS43561 [0,2,0,0,0,0|1,0,0]=3 2454 B12R1.128 c1cc(c(cc1N)S(=O)(=O)O)Cl TS20435 [0,2,0,0,0,0|2,0,0]=4 2455 B12R1.128 c1cc(c(cc1N)S(=O)(=O)O)F TS51267 [0,2,0,0,0,0|2,0,0]=4 2456 B12R1.128 c1cc(c(cc1N)S(=O)(=O)O)N TS15963 [0,2,0,0,0,0|2,0,0]=4 2457 B12R1.128 c1cc(c(cc1O)S(=O)(=O)O)O TS68721 [0,2,0,0,0,0|1,0,0]=3 2458 B12R1.128 c1cc(c(cc1O)S(=O)(=O)[O-])O TS21267 [0,2,0,0,0,0|1,0,1]=4 2459 B12R1.128 c1cc(c(cc1O)S(=O)(=O)[O-])O TS24538 [0,2,0,0,0,0|1,0,1]=4 2460 B12R1.228 Cc1cccc(c1C)S(=O)(=O)O TS15630 [0,2,0,0,0,0|2,0,0]=4 2461 B12R1.894 CC(=O)c1c(ccc(c1Cl)F)Cl TS39129 [0,2,0,0,0,0|2,0,0]=4 2462 B12R1.894 CC(=O)c1c(ccc(c1F)Cl)F TS09258 [0,2,0,0,0,0|2,0,0]=4 2463 B12R1.894 CC(=O)c1c(ccc(c1F)F)F TS65311 [0,2,0,0,0,0|2,0,0]=4 2464 B12R1.894 Cc1c(ccc(c1[N+](=O)[O-])O)Br TS85821 [0,2,0,0,0,0|1,0,1]=4 2465 B12R1.894 Cc1c(cnc(c1C(=O)O)N)Br TS30447 [0,2,0,0,0,0|2,0,0]=4 2466 B12R1.894 Cc1ccc(c(c1Br)C(=O)O)N TS24812 [0,2,0,0,0,0|1,0,0]=3 2467 B12R1.894 Cc1ccc(c(c1C)C(=O)C)C TS42484 [0,2,0,0,0,0|2,0,0]=4 2468 B12R1.894 Cc1ccc(c(c1Cl)C(=O)C)F TS49000 [0,2,0,0,0,0|2,0,0]=4 2469 B12R1.894 Cc1ccc(c(c1Cl)C(=O)N)F TS15866 [0,2,0,0,0,0|2,0,0]=4 2470 B12R1.894 Cc1ccc(c(c1Cl)C(=O)O)F TS16085 [0,2,0,0,0,0|1,0,0]=3 2471 B12R1.894 Cc1ccc(c(c1F)C(=O)C)Cl TS48995 [0,2,0,0,0,0|2,0,0]=4 2472 B12R1.894 Cc1ccc(c(c1F)C(=O)C)F TS45100 [0,2,0,0,0,0|2,0,0]=4 2473 B12R1.894 Cc1ccc(c(c1F)C(=O)Cl)F TS17190 [0,2,0,0,0,0|2,0,0]=4 2474 B12R1.894 Cc1ccc(c(c1F)C(=O)N)Cl TS15869 [0,2,0,0,0,0|2,0,0]=4 2475 B12R1.894 Cc1ccc(c(c1F)C(=O)O)Cl TS16081 [0,2,0,0,0,0|1,0,0]=3 2476 B12R1.894 Cc1ccc(c(c1F)C(=O)O)F TS45417 [0,2,0,0,0,0|1,0,0]=3 2477 B12R1.894 Cc1ccn(=O)c(c1C(=O)O)C TS43212 [0,2,0,0,0,0|2,0,0]=4 2478 B12R1.894 c1c(c(c(c(n1)Br)Cl)C(=O)O)Cl TS55084 [0,2,0,0,0,0|2,0,0]=4 2479 B12R1.894 c1c(c(c(c(n1)Cl)Cl)C(=O)O)Cl TS85383 [0,2,0,0,0,0|2,0,0]=4 2480 B12R1.894 c1c(c(c(c(n1)F)F)C(=O)O)F TS46217 [0,2,0,0,0,0|2,0,0]=4 2481 B12R1.894 c1cc(c(c(c1Cl)C(=O)O)Cl)Br TS91369 [0,2,0,0,0,0|1,0,0]=3 2482 B12R1.894 c1cc(c(c(c1Cl)C(=O)O)Cl)Cl TS74057 [0,2,0,0,0,0|1,0,0]=3 2483 B12R1.894 c1cc(c(c(c1Cl)C(=O)O)N)Cl TS20082 [0,2,0,0,0,0|1,0,0]=3 2484 B12R1.894 c1cc(c(c(c1F)C(=O)Cl)Cl)F TS43930 [0,2,0,0,0,0|2,0,0]=4 2485 B12R1.894 c1cc(c(c(c1F)C(=O)Cl)F)Cl TS43928 [0,2,0,0,0,0|2,0,0]=4 2486 B12R1.894 c1cc(c(c(c1F)C(=O)Cl)F)F TS17962 [0,2,0,0,0,0|2,0,0]=4 2487 B12R1.894 c1cc(c(c(c1F)C(=O)N)Cl)F TS17372 [0,2,0,0,0,0|2,0,0]=4 2488 B12R1.894 c1cc(c(c(c1F)C(=O)N)F)Cl TS17373 [0,2,0,0,0,0|2,0,0]=4 2489 B12R1.894 c1cc(c(c(c1F)C(=O)N)F)F TS45905 [0,2,0,0,0,0|2,0,0]=4 2490 B12R1.894 c1cc(c(c(c1F)C(=O)O)Cl)F TS65394 [0,2,0,0,0,0|1,0,0]=3 2491 B12R1.894 c1cc(c(c(c1F)C(=O)O)F)Cl TS17570 [0,2,0,0,0,0|1,0,0]=3 2492 B12R1.894 c1cc(c(c(c1F)C(=O)O)F)F TS65315 [0,2,0,0,0,0|1,0,0]=3 2493 B12R1.894 c1cc(c(c(c1F)C(=O)O)F)I TS34693 [0,2,0,0,0,0|1,0,0]=3 2494 B12R1.894 c1cc(c(c(c1F)Cl)C(=O)O)Cl TS94084 [0,2,0,0,0,0|1,0,0]=3 2495 B12R1.894 c1cc(c(c(c1F)F)C(=O)O)Br TS60230 [0,2,0,0,0,0|1,0,0]=3 2496 B12R1.894 c1cc(c(c(c1F)F)C(=O)O)I TS34690 [0,2,0,0,0,0|1,0,0]=3 2497 B12R1.894 c1cc(c(c(c1N)C(=O)O)Br)Cl TS08293 [0,2,0,0,0,0|1,0,0]=3 2498 B12R1.894 c1cc(c(c(c1N)F)C(=O)O)F TS45585 [0,2,0,0,0,0|1,0,0]=3 2499 B12R1.894 c1cc(c(c(c1O)C(=O)O)F)F TS13430 [0,2,0,0,0,0|0,0,0]=2 2500 B12R1.894 c1cc(c(c(c1O)C(=O)O)O)Cl TS16071 [0,2,0,0,0,0|0,0,0]=2 2501 B12R1.1000 B(c1c(cc(cc1Cl)Cl)O)(O)O TS20301 [0,2,0,0,0,0|1,0,1]=4 2502 B12R1.1000 CC(=O)c1c(cc(cc1F)F)F TS47328 [0,2,0,0,0,0|2,0,0]=4 2503 B12R1.1000 CC(=O)c1c(cc(cc1O)O)O TS08799 [0,2,0,0,0,0|1,0,0]=3 2504 B12R1.1000 CC(=O)c1c(cc(cc1O)O)O TS44822 [0,2,0,0,0,0|1,0,0]=3 2505 B12R1.1000 Cc1cc(=O)oc(c1C(=O)O)C TS44812 [0,2,0,0,0,0|2,0,0]=4 2506 B12R1.1000 Cc1cc(c(c(c1)C)C(=O)C)C TS11596 [0,2,0,0,0,0|2,0,0]=4 2507 B12R1.1000 Cc1cc(c(c(c1)C)C(=O)Cl)C TS07909 [0,2,0,0,0,0|2,0,0]=4 2508 B12R1.1000 Cc1cc(c(c(c1)C)C(=O)N)C TS42595 [0,2,0,0,0,0|2,0,0]=4 2509 B12R1.1000 Cc1cc(c(c(c1)C)C(=O)O)C TS07908 [0,2,0,0,0,0|1,0,0]=3 2510 B12R1.1000 Cc1cc(c(c(c1)O)C(=O)C)O TS02200 [0,2,0,0,0,0|1,0,0]=3 2511 B12R1.1000 Cc1cc(c(c(c1)O)C(=O)O)O TS44819 [0,2,0,0,0,0|0,0,0]=2 2512 B12R1.1000 Cc1cc(c(c(c1)O)[N+](=O)[O-])O TS12641 [0,2,0,0,0,0|1,0,1]=4 2513 B12R1.1000 Cc1cc(c(c(n1)O)C(=O)O)O TS12652 [0,2,0,0,0,0|1,0,0]=3 2514 B12R1.1000 Cc1cc(cc(c1C(=O)Cl)C)F TS48994 [0,2,0,0,0,0|2,0,0]=4 2515 B12R1.1000 Cc1cc(cc(c1C(=O)N)Cl)Cl TS19673 [0,2,0,0,0,0|2,0,0]=4 2516 B12R1.1000 Cc1cc(cc(c1C(=O)O)C)F TS09254 [0,2,0,0,0,0|1,0,0]=3 2517 B12R1.1000 Cc1cc(cc(c1C(=O)O)C)O TS09130 [0,2,0,0,0,0|1,0,0]=3 2518 B12R1.1000 Cc1cc(cc(c1C(=O)O)O)O TS12486 [0,2,0,0,0,0|0,0,0]=2 2519 B12R1.1000 Cc1cc(nc(c1C(=O)O)Cl)C TS15510 [0,2,0,0,0,0|2,0,0]=4 2520 B12R1.1000 Cc1cc(nc(c1C(=O)O)Cl)Cl TS86933 [0,2,0,0,0,0|2,0,0]=4 2521 B12R1.1000 Cc1cc(nc(c1C(=O)O)N)C TS43073 [0,2,0,0,0,0|2,0,0]=4 2522 B12R1.1000 c1c(cc(c(c1Br)C(=O)O)Br)Br TS66331 [0,2,0,0,0,0|1,0,0]=3 2523 B12R1.1000 c1c(cc(c(c1Cl)C(=O)Cl)Cl)Cl TS00593 [0,2,0,0,0,0|2,0,0]=4 2524 B12R1.1000 c1c(cc(c(c1Cl)C(=O)O)Cl)Cl TS00592 [0,2,0,0,0,0|1,0,0]=3 2525 B12R1.1000 c1c(cc(c(c1F)C(=O)Cl)F)F TS17963 [0,2,0,0,0,0|2,0,0]=4 2526 B12R1.1000 c1c(cc(c(c1F)C(=O)N)F)F TS45903 [0,2,0,0,0,0|2,0,0]=4 2527 B12R1.1000 c1c(cc(c(c1F)C(=O)O)F)Br TS01845 [0,2,0,0,0,0|1,0,0]=3 2528 B12R1.1000 c1c(cc(c(c1F)C(=O)O)F)F TS00596 [0,2,0,0,0,0|1,0,0]=3 2529 B12R1.1000 c1c(cc(c(c1F)C(=O)O)F)O TS65360 [0,2,0,0,0,0|1,0,0]=3 2530 B12R1.1000 c1c(cc(c(c1N)C(=O)O)Cl)Cl TS38922 [0,2,0,0,0,0|1,0,0]=3 2531 B12R1.1000 c1c(cc(c(c1N)C(=O)O)F)F TS32777 [0,2,0,0,0,0|1,0,0]=3 2532 B12R1.1000 c1c(cc(c(c1O)[N+](=O)[O-])F)F TS45896 [0,2,0,0,0,0|1,0,1]=4 2533 B12R1.1000 c1c(cc(c(c1O)[N+](=O)[O-])O)O TS45254 [0,2,0,0,0,0|1,0,1]=4 2534 B12R1.3441 CCC(=O)c1c(cccc1F)F TS45096 [0,2,0,0,0,0|2,0,0]=4 2535 B12R1.3441 COC(=O)c1c(cccc1Br)Cl TS27945 [0,2,0,0,0,0|1,0,0]=3 2536 B12R1.3441 COC(=O)c1c(cccc1Cl)Cl TS19897 [0,2,0,0,0,0|1,0,0]=3 2537 B12R1.3441 COC(=O)c1c(cccc1F)F TS45415 [0,2,0,0,0,0|1,0,0]=3 2538 B12R1.3441 COC(=O)c1c(cccc1F)O TS45084 [0,2,0,0,0,0|0,0,0]=2 2539 B12R1.3441 COC(=O)c1c(cccc1O)O TS12478 [0,2,0,0,0,0|0,0,0]=2 2540 B12R1.3441 COC(=O)c1c(ccnc1Cl)Cl TS86722 [0,2,0,0,0,0|2,0,0]=4 2541 B12R1.3441 COC(=O)c1c(ccnc1Cl)I TS55221 [0,2,0,0,0,0|2,0,0]=4 2542 B12R1.3441 COC(=O)c1c(ccnc1Cl)N TS90592 [0,2,0,0,0,0|2,0,0]=4 2543 B12R1.3441 COC(=O)c1c(ccnc1F)I TS65048 [0,2,0,0,0,0|2,0,0]=4 2544 B12R1.3441 Cc1cccc(c1C(=O)OC)Cl TS48668 [0,2,0,0,0,0|1,0,0]=3 2545 B12R1.3441 Cc1cccc(c1C(=O)OC)O TS12171 [0,2,0,0,0,0|0,0,0]=2 2546 B12R1.3441 Cc1ccnc(c1C(=O)OC)N TS43067 [0,2,0,0,0,0|2,0,0]=4 2547 B12R1.3441 c1cc(c(c(c1)Cl)C(=NO)Cl)Cl TS23902 [0,2,0,0,0,0|2,0,0]=4 2548 B12R1.3441 c1cc(c(c(c1)Cl)C(=NO)N)Cl TS38743 [0,2,0,0,0,0|2,0,0]=4 2549 B12R1.3441 c1cc(c(c(c1)Cl)C(=O)CBr)Cl TS09114 [0,2,0,0,0,0|2,0,0]=4 2550 B12R1.3441 c1cc(c(c(c1)F)C(=O)CBr)F TS55079 [0,2,0,0,0,0|2,0,0]=4 2551 B12R1.24 CCC(=O)c1cccc(c1F)F TS45095 [0,2,0,0,0,0|2,0,0]=4 2552 B12R1.24 COC(=O)c1cccc(c1Br)N TS08860 [0,2,0,0,0,0|1,0,0]=3 2553 B12R1.24 COC(=O)c1cccc(c1Cl)Cl TS19902 [0,2,0,0,0,0|1,0,0]=3 2554 B12R1.24 COC(=O)c1cccc(c1N)Cl TS56241 [0,2,0,0,0,0|1,0,0]=3 2555 B12R1.24 COC(=O)c1cccc(c1O)F TS45085 [0,2,0,0,0,0|0,0,0]=2 2556 B12R1.24 COC(=O)c1ccnc(c1F)Cl TS65229 [0,2,0,0,0,0|2,0,0]=4 2557 B12R1.24 COC(=O)c1ccnc(c1N)Cl TS08568 [0,2,0,0,0,0|2,0,0]=4 2558 B12R1.24 Cc1c(cccc1N)C(=O)OC TS39541 [0,2,0,0,0,0|1,0,0]=3 2559 B12R1.24 Cc1cccc(c1Br)C(=O)OC TS08552 [0,2,0,0,0,0|1,0,0]=3 2560 B12R1.24 Cc1cccc(c1N)C(=O)NC TS65228 [0,2,0,0,0,0|2,0,0]=4 2561 B12R1.24 Cc1cccc(c1N)C(=O)OC TS56246 [0,2,0,0,0,0|1,0,0]=3 2562 B12R1.24 Cc1cccc(c1O)C(=O)NN TS12221 [0,2,0,0,0,0|1,0,0]=3 2563 B12R1.24 Cc1cccc(c1O)C(=O)OC TS59794 [0,2,0,0,0,0|0,0,0]=2 2564 B12R1.24 Cn1cccc(c1=O)C(=O)OC TS89492 [0,2,0,0,0,0|1,0,1]=4 2565 B12R1.24 c1cc(c(c(c1)Cl)Cl)C(=NO)N TS38740 [0,2,0,0,0,0|2,0,0]=4 2566 B12R1.24 c1cc(c(c(c1)Cl)Cl)C(=O)C#N TS18926 [0,2,0,0,0,0|2,0,0]=4 2567 B12R1.440 B(c1cccc(c1O)OC)(O)O TS43295 [0,2,0,0,0,0|1,0,1]=4 2568 B12R1.440 COc1cccc(c1F)C(=O)O TS55329 [0,2,0,0,0,0|1,0,0]=3 2569 B12R1.440 COc1cccc(c1N)C(=O)O TS47371 [0,2,0,0,0,0|1,0,0]=3 2570 B12R1.440 COc1cccc(c1O)C(=O)O TS44816 [0,2,0,0,0,0|0,0,0]=2 2571 B12R1.440 Cc1c(cccc1OC)C(=O)Cl TS60305 [0,2,0,0,0,0|2,0,0]=4 2572 B12R1.440 Cc1c(cccc1OC)C(=O)O TS70645 [0,2,0,0,0,0|1,0,0]=3 2573 B12R1.440 c1cc(c(c(c1)C(=O)O)Cl)CF TS16087 [0,2,0,0,0,0|1,0,0]=3 2574 B12R1.440 c1cc(c(c(c1)C(=O)O)N)C=O TS11994 [0,2,0,0,0,0|1,0,0]=3 2575 B12R1.440 c1cc(c(c(c1)[N+](=O)[O-])O)C#N TS11795 [0,2,0,0,0,0|1,0,1]=4 2576 B12R1.440 c1cc(c(c(c1)[N+](=O)[O-])O)C=O TS39667 [0,2,0,0,0,0|1,0,1]=4 2577 B12R1.511 CC(=O)c1cc(cc(c1F)F)F TS65302 [0,2,0,0,0,0|2,0,0]=4 2578 B12R1.511 CC(=O)c1cc(cc(c1O)Br)Br TS58434 [0,2,0,0,0,0|1,0,0]=3 2579 B12R1.511 CC(=O)c1cc(cc(c1O)Br)Cl TS27943 [0,2,0,0,0,0|1,0,0]=3 2580 B12R1.511 CC(=O)c1cc(cc(c1O)Cl)Cl TS19908 [0,2,0,0,0,0|1,0,0]=3 2581 B12R1.511 CC(=O)c1cc(cc(c1O)F)F TS46707 [0,2,0,0,0,0|1,0,0]=3 2582 B12R1.511 Cc1c(cc(cc1F)F)C(=O)O TS16722 [0,2,0,0,0,0|1,0,0]=3 2583 B12R1.511 Cc1cc(c(c(c1)Br)N)C(=O)O TS24815 [0,2,0,0,0,0|1,0,0]=3 2584 B12R1.511 Cc1cc(c(c(c1)Br)O)[N+](=O)[O-] TS53252 [0,2,0,0,0,0|1,0,1]=4 2585 B12R1.511 Cc1cc(c(c(c1)C(=O)C)O)C TS08853 [0,2,0,0,0,0|1,0,0]=3 2586 B12R1.511 Cc1cc(c(c(c1)C(=O)O)N)C TS65810 [0,2,0,0,0,0|1,0,0]=3 2587 B12R1.511 Cc1cc(c(c(c1)F)F)C(=O)O TS45414 [0,2,0,0,0,0|1,0,0]=3 2588 B12R1.511 Cc1cc(c(c(c1)I)O)[N+](=O)[O-] TS54199 [0,2,0,0,0,0|1,0,1]=4 2589 B12R1.511 Cc1cc(c(c(c1)N)O)C(=O)C TS12008 [0,2,0,0,0,0|1,0,0]=3 2590 B12R1.511 Cc1cc(c(c(c1)O)O)C(=O)O TS44833 [0,2,0,0,0,0|0,0,0]=2 2591 B12R1.511 Cc1cc(c(c(c1)[N+](=O)[O-])O)C TS12352 [0,2,0,0,0,0|1,0,1]=4 2592 B12R1.511 Cc1cc(c(c(c1)[N+](=O)[O-])O)N TS12493 [0,2,0,0,0,0|1,0,1]=4 2593 B12R1.511 Cc1cc(cc(c1F)C(=O)O)F TS45412 [0,2,0,0,0,0|1,0,0]=3 2594 B12R1.511 Cc1cc(cc(c1N)C(=O)O)Cl TS00772 [0,2,0,0,0,0|1,0,0]=3 2595 B12R1.511 Cc1cc(cc(c1O)C(=O)O)Br TS39531 [0,2,0,0,0,0|0,0,0]=2 2596 B12R1.511 Cn1cc(cc(c1=O)C(=O)O)Br TS90545 [0,2,0,0,0,0|1,0,1]=4 2597 B12R1.511 c1c(c(c(nc1Cl)Cl)O)C(=O)O TS20474 [0,2,0,0,0,0|1,0,0]=3 2598 B12R1.511 c1c(c(c(nc1F)F)F)C(=O)O TS46220 [0,2,0,0,0,0|2,0,0]=4 2599 B12R1.511 c1c(cc(c(c1C(=O)Cl)F)F)F TS17961 [0,2,0,0,0,0|2,0,0]=4 2600 B12R1.511 c1c(cc(c(c1C(=O)Cl)I)I)I TS83444 [0,2,0,0,0,0|2,0,0]=4 2601 B12R1.511 c1c(cc(c(c1C(=O)Cl)O)I)I TS81354 [0,2,0,0,0,0|1,0,0]=3 2602 B12R1.511 c1c(cc(c(c1C(=O)N)F)F)F TS45904 [0,2,0,0,0,0|2,0,0]=4 2603 B12R1.511 c1c(cc(c(c1C(=O)N)O)Br)Br TS35757 [0,2,0,0,0,0|1,0,0]=3 2604 B12R1.511 c1c(cc(c(c1C(=O)O)Br)F)F TS65374 [0,2,0,0,0,0|1,0,0]=3 2605 B12R1.511 c1c(cc(c(c1C(=O)O)Cl)Cl)Cl TS24052 [0,2,0,0,0,0|1,0,0]=3 2606 B12R1.511 c1c(cc(c(c1C(=O)O)Cl)Cl)N TS20084 [0,2,0,0,0,0|1,0,0]=3 2607 B12R1.511 c1c(cc(c(c1C(=O)O)Cl)N)Cl TS20086 [0,2,0,0,0,0|1,0,0]=3 2608 B12R1.511 c1c(cc(c(c1C(=O)O)F)F)F TS65305 [0,2,0,0,0,0|1,0,0]=3 2609 B12R1.511 c1c(cc(c(c1C(=O)O)I)I)I TS83221 [0,2,0,0,0,0|1,0,0]=3 2610 B12R1.511 c1c(cc(c(c1C(=O)O)N)Br)Br TS35756 [0,2,0,0,0,0|1,0,0]=3 2611 B12R1.511 c1c(cc(c(c1C(=O)O)N)Cl)Cl TS38921 [0,2,0,0,0,0|1,0,0]=3 2612 B12R1.511 c1c(cc(c(c1C(=O)O)N)I)I TS67463 [0,2,0,0,0,0|1,0,0]=3 2613 B12R1.511 c1c(cc(c(c1C(=O)O)O)Br)Br TS35844 [0,2,0,0,0,0|0,0,0]=2 2614 B12R1.511 c1c(cc(c(c1C(=O)O)O)Br)Cl TS63028 [0,2,0,0,0,0|0,0,0]=2 2615 B12R1.511 c1c(cc(c(c1C(=O)O)O)Cl)Cl TS39117 [0,2,0,0,0,0|0,0,0]=2 2616 B12R1.511 c1c(cc(c(c1C(=O)O)O)I)I TS93241 [0,2,0,0,0,0|0,0,0]=2 2617 B12R1.511 c1c(cc(c(c1C(=O)O)O)N)N TS12487 [0,2,0,0,0,0|0,0,0]=2 2618 B12R1.511 c1c(cc(c(c1C(=O)[O-])Cl)N)Cl TS52573 [0,2,0,0,0,0|1,0,1]=4 2619 B12R1.511 c1c(cc(c(c1C(=O)[O-])O)I)I TS81893 [0,2,0,0,0,0|0,0,1]=3 2620 B12R1.511 c1c(cc(c(c1N)O)[N+](=O)[O-])Cl TS00742 [0,2,0,0,0,0|1,0,1]=4 2621 B12R1.511 c1c(cc(c(c1N)O)[N+](=O)[O-])Cl TS52110 [0,2,0,0,0,0|1,0,1]=4 2622 B12R1.511 c1c(cc(c(c1[N+](=O)[O-])O)Br)Br TS35953 [0,2,0,0,0,0|1,0,1]=4 2623 B12R1.511 c1c(cc(c(c1[N+](=O)[O-])O)Br)F TS25816 [0,2,0,0,0,0|1,0,1]=4 2624 B12R1.511 c1c(cc(c(c1[N+](=O)[O-])O)Cl)Cl TS20473 [0,2,0,0,0,0|1,0,1]=4 2625 B12R1.511 c1c(cc(c(c1[N+](=O)[O-])O)F)Br TS29432 [0,2,0,0,0,0|1,0,1]=4 2626 B12R1.511 c1c(cc(c(c1[N+](=O)[O-])O)F)F TS13633 [0,2,0,0,0,0|1,0,1]=4 2627 B12R1.893 CC(=O)c1ccc(c(c1Cl)Cl)Cl TS50370 [0,2,0,0,0,0|2,0,0]=4 2628 B12R1.893 CC(=O)c1ccc(c(c1F)F)F TS65297 [0,2,0,0,0,0|2,0,0]=4 2629 B12R1.893 CC(=O)c1ccc(c(c1O)O)O TS44817 [0,2,0,0,0,0|1,0,0]=3 2630 B12R1.893 Cc1c(c(ccc1C(=O)O)N)C TS65115 [0,2,0,0,0,0|1,0,0]=3 2631 B12R1.893 Cc1c(ccc(c1F)C(=O)Cl)F TS17189 [0,2,0,0,0,0|2,0,0]=4 2632 B12R1.893 Cc1c(ccc(c1F)C(=O)O)F TS09230 [0,2,0,0,0,0|1,0,0]=3 2633 B12R1.893 Cc1c(ccc(c1F)F)C(=O)O TS60318 [0,2,0,0,0,0|1,0,0]=3 2634 B12R1.893 Cc1c(ccc(c1O)C(=O)C)O TS12193 [0,2,0,0,0,0|1,0,0]=3 2635 B12R1.893 Cc1ccc(c(c1Br)N)C(=O)O TS22757 [0,2,0,0,0,0|1,0,0]=3 2636 B12R1.893 Cc1ccc(c(c1C)I)C(=O)O TS31075 [0,2,0,0,0,0|1,0,0]=3 2637 B12R1.893 Cc1ccc(c(c1C)N)C(=O)O TS09263 [0,2,0,0,0,0|1,0,0]=3 2638 B12R1.893 Cc1ccc(c(c1F)C)C(=O)O TS44852 [0,2,0,0,0,0|1,0,0]=3 2639 B12R1.893 Cc1ccc(c(c1F)F)C(=O)C TS45099 [0,2,0,0,0,0|2,0,0]=4 2640 B12R1.893 Cc1ccc(c(c1F)F)C(=O)Cl TS17191 [0,2,0,0,0,0|2,0,0]=4 2641 B12R1.893 Cc1ccc(c(c1F)F)C(=O)N TS12968 [0,2,0,0,0,0|2,0,0]=4 2642 B12R1.893 Cc1ccc(c(c1F)F)C(=O)O TS45420 [0,2,0,0,0,0|1,0,0]=3 2643 B12R1.893 Cc1ccc(c(c1I)N)C(=O)O TS47367 [0,2,0,0,0,0|1,0,0]=3 2644 B12R1.893 c1c(c(c(c(n1)F)F)Cl)C(=O)O TS86152 [0,2,0,0,0,0|2,0,0]=4 2645 B12R1.893 c1cc(c(c(c1C(=O)Cl)F)Cl)F TS09345 [0,2,0,0,0,0|2,0,0]=4 2646 B12R1.893 c1cc(c(c(c1C(=O)Cl)F)F)F TS17958 [0,2,0,0,0,0|2,0,0]=4 2647 B12R1.893 c1cc(c(c(c1C(=O)N)F)F)F TS45908 [0,2,0,0,0,0|2,0,0]=4 2648 B12R1.893 c1cc(c(c(c1C(=O)O)Br)F)F TS65373 [0,2,0,0,0,0|1,0,0]=3 2649 B12R1.893 c1cc(c(c(c1C(=O)O)Cl)Cl)Cl TS24050 [0,2,0,0,0,0|1,0,0]=3 2650 B12R1.893 c1cc(c(c(c1C(=O)O)Cl)Cl)F TS02327 [0,2,0,0,0,0|1,0,0]=3 2651 B12R1.893 c1cc(c(c(c1C(=O)O)F)Cl)F TS09343 [0,2,0,0,0,0|1,0,0]=3 2652 B12R1.893 c1cc(c(c(c1C(=O)O)F)F)Br TS02331 [0,2,0,0,0,0|1,0,0]=3 2653 B12R1.893 c1cc(c(c(c1C(=O)O)F)F)Cl TS39479 [0,2,0,0,0,0|1,0,0]=3 2654 B12R1.893 c1cc(c(c(c1C(=O)O)F)F)F TS00534 [0,2,0,0,0,0|1,0,0]=3 2655 B12R1.893 c1cc(c(c(c1C(=O)O)F)F)I TS34692 [0,2,0,0,0,0|1,0,0]=3 2656 B12R1.893 c1cc(c(c(c1C(=O)O)F)F)N TS39461 [0,2,0,0,0,0|1,0,0]=3 2657 B12R1.893 c1cc(c(c(c1C(=O)O)F)F)O TS02333 [0,2,0,0,0,0|1,0,0]=3 2658 B12R1.893 c1cc(c(c(c1C(=O)O)F)O)F TS09229 [0,2,0,0,0,0|1,0,0]=3 2659 B12R1.893 c1cc(c(c(c1C(=O)O)O)O)O TS12754 [0,2,0,0,0,0|0,0,0]=2 2660 B12R1.893 c1cc(c(c(c1C(=O)[O-])F)F)F TS53951 [0,2,0,0,0,0|1,0,1]=4 2661 B12R1.893 c1cc(c(c(c1[N+](=O)[O-])O)F)F TS45898 [0,2,0,0,0,0|1,0,1]=4 2662 B12R1.232 CC(=O)c1cc(c(cc1Cl)Cl)F TS39128 [0,2,0,0,0,0|2,0,0]=4 2663 B12R1.232 CC(=O)c1cc(c(cc1F)Cl)F TS17188 [0,2,0,0,0,0|2,0,0]=4 2664 B12R1.232 CC(=O)c1cc(c(cc1F)F)F TS65321 [0,2,0,0,0,0|2,0,0]=4 2665 B12R1.232 Cc1cc(c(cc1Br)F)C(=O)O TS00007 [0,2,0,0,0,0|1,0,0]=3 2666 B12R1.232 Cc1cc(c(cc1C(=O)O)F)F TS02220 [0,2,0,0,0,0|1,0,0]=3 2667 B12R1.232 Cc1cc(c(cc1C(=O)O)I)C TS31072 [0,2,0,0,0,0|1,0,0]=3 2668 B12R1.232 Cc1cc(c(cc1C)C(=O)C)C TS42483 [0,2,0,0,0,0|2,0,0]=4 2669 B12R1.232 Cc1cc(c(cc1C)C(=O)O)C TS11857 [0,2,0,0,0,0|1,0,0]=3 2670 B12R1.232 Cc1cc(c(cc1C)O)C(=O)C TS11849 [0,2,0,0,0,0|1,0,0]=3 2671 B12R1.232 Cc1cc(c(cc1Cl)C(=O)C)O TS15377 [0,2,0,0,0,0|1,0,0]=3 2672 B12R1.232 Cc1cc(c(cc1Cl)F)C(=O)C TS48997 [0,2,0,0,0,0|2,0,0]=4 2673 B12R1.232 Cc1cc(c(cc1Cl)N)C(=O)O TS48790 [0,2,0,0,0,0|1,0,0]=3 2674 B12R1.232 Cc1cc(c(cc1Cl)[N+](=O)[O-])O TS50614 [0,2,0,0,0,0|1,0,1]=4 2675 B12R1.232 Cc1cc(c(cc1F)C(=O)Cl)F TS17187 [0,2,0,0,0,0|2,0,0]=4 2676 B12R1.232 Cc1cc(c(cc1F)C(=O)O)F TS02134 [0,2,0,0,0,0|1,0,0]=3 2677 B12R1.232 Cc1cc(c(cc1F)F)C(=O)O TS02127 [0,2,0,0,0,0|1,0,0]=3 2678 B12R1.232 Cc1cc(c(cc1O)C(=O)O)Cl TS32912 [0,2,0,0,0,0|1,0,0]=3 2679 B12R1.232 Cc1cc(c(cc1O)C)C(=O)C TS42744 [0,2,0,0,0,0|2,0,0]=4 2680 B12R1.232 c1c(c(cc(c1Br)Br)F)C(=O)O TS55992 [0,2,0,0,0,0|1,0,0]=3 2681 B12R1.232 c1c(c(cc(c1Br)Br)N)C(=O)O TS65026 [0,2,0,0,0,0|1,0,0]=3 2682 B12R1.232 c1c(c(cc(c1Br)Cl)F)C(=O)O TS07817 [0,2,0,0,0,0|1,0,0]=3 2683 B12R1.232 c1c(c(cc(c1Br)O)O)C(=O)O TS25324 [0,2,0,0,0,0|0,0,0]=2 2684 B12R1.232 c1c(c(cc(c1Br)O)O)C(=O)O TS28135 [0,2,0,0,0,0|0,0,0]=2 2685 B12R1.232 c1c(c(cc(c1Cl)Br)Cl)C(=O)O TS16759 [0,2,0,0,0,0|1,0,0]=3 2686 B12R1.232 c1c(c(cc(c1Cl)Br)N)C(=O)O TS93347 [0,2,0,0,0,0|1,0,0]=3 2687 B12R1.232 c1c(c(cc(c1Cl)Cl)Cl)C(=O)O TS24051 [0,2,0,0,0,0|1,0,0]=3 2688 B12R1.232 c1c(c(cc(c1Cl)Cl)F)C(=O)O TS02899 [0,2,0,0,0,0|1,0,0]=3 2689 B12R1.232 c1c(c(cc(c1Cl)F)F)C(=O)O TS09827 [0,2,0,0,0,0|1,0,0]=3 2690 B12R1.232 c1c(c(cc(c1F)Br)Cl)C(=O)Cl TS74182 [0,2,0,0,0,0|2,0,0]=4 2691 B12R1.232 c1c(c(cc(c1F)Br)Cl)C(=O)O TS60382 [0,2,0,0,0,0|1,0,0]=3 2692 B12R1.232 c1c(c(cc(c1F)Cl)Cl)C(=O)Cl TS24412 [0,2,0,0,0,0|2,0,0]=4 2693 B12R1.232 c1c(c(cc(c1F)Cl)Cl)C(=O)N TS20479 [0,2,0,0,0,0|2,0,0]=4 2694 B12R1.232 c1c(c(cc(c1F)Cl)Cl)C(=O)O TS00605 [0,2,0,0,0,0|1,0,0]=3 2695 B12R1.232 c1c(c(cc(c1F)Cl)F)C(=O)Cl TS43929 [0,2,0,0,0,0|2,0,0]=4 2696 B12R1.232 c1c(c(cc(c1F)Cl)F)C(=O)O TS59509 [0,2,0,0,0,0|1,0,0]=3 2697 B12R1.232 c1c(c(cc(c1F)F)Br)C(=O)O TS16836 [0,2,0,0,0,0|1,0,0]=3 2698 B12R1.232 c1c(c(cc(c1F)F)Cl)C(=O)Cl TS43931 [0,2,0,0,0,0|2,0,0]=4 2699 B12R1.232 c1c(c(cc(c1F)F)Cl)C(=O)O TS00873 [0,2,0,0,0,0|1,0,0]=3 2700 B12R1.232 c1c(c(cc(c1F)F)F)C(=O)Cl TS17960 [0,2,0,0,0,0|2,0,0]=4 2701 B12R1.232 c1c(c(cc(c1F)F)F)C(=O)N TS45907 [0,2,0,0,0,0|2,0,0]=4 2702 B12R1.232 c1c(c(cc(c1F)F)F)C(=O)O TS00582 [0,2,0,0,0,0|1,0,0]=3 2703 B12R1.232 c1c(c(cc(c1F)F)F)C(=O)[O-] TS53952 [0,2,0,0,0,0|1,0,1]=4 2704 B12R1.232 c1c(c(cc(c1F)F)I)C(=O)O TS34691 [0,2,0,0,0,0|1,0,0]=3 2705 B12R1.232 c1c(c(cc(c1F)F)N)C(=O)O TS02906 [0,2,0,0,0,0|1,0,0]=3 2706 B12R1.232 c1c(c(cc(c1F)F)O)[N+](=O)[O-] TS45897 [0,2,0,0,0,0|1,0,1]=4 2707 B12R1.232 c1c(c(cc(c1F)N)F)C(=O)O TS65116 [0,2,0,0,0,0|1,0,0]=3 2708 B12R1.232 c1c(c(cc(c1N)Cl)O)C(=O)O TS50619 [0,2,0,0,0,0|0,0,0]=2 2709 B12R1.232 c1c(c(cc(c1O)O)O)C(=O)O TS12755 [0,2,0,0,0,0|0,0,0]=2 2710 B12R1.232 c1c(c(cc(c1[N+](=O)[O-])O)O)N TS39102 [0,2,0,0,0,0|1,0,1]=4 2711 B12R1.232 c1c(c(nc(c1F)Cl)Cl)C(=O)O TS43716 [0,2,0,0,0,0|2,0,0]=4 2712 B12R1.232 c1c(c(nc(c1F)F)F)C(=O)O TS46218 [0,2,0,0,0,0|2,0,0]=4 2713 B12R1.452 CC(=O)c1ccc(cc1F)OC TS55332 [0,2,0,0,0,0|2,0,0]=4 2714 B12R1.452 CC(=O)c1ccc(cc1N)OC TS60260 [0,2,0,0,0,0|2,0,0]=4 2715 B12R1.452 CC(=O)c1ccc(cc1O)OC TS55390 [0,2,0,0,0,0|1,0,0]=3 2716 B12R1.452 COc1cc(c(cn1)C(=O)O)N TS89711 [0,2,0,0,0,0|2,0,0]=4 2717 B12R1.452 COc1ccc(c(c1)Br)C(=O)O TS53110 [0,2,0,0,0,0|1,0,0]=3 2718 B12R1.452 COc1ccc(c(c1)Cl)C(=O)O TS00891 [0,2,0,0,0,0|1,0,0]=3 2719 B12R1.452 COc1ccc(c(c1)F)C(=O)Cl TS55336 [0,2,0,0,0,0|2,0,0]=4 2720 B12R1.452 COc1ccc(c(c1)F)C(=O)O TS09296 [0,2,0,0,0,0|1,0,0]=3 2721 B12R1.452 COc1ccc(c(c1)N)C(=O)N TS08947 [0,2,0,0,0,0|2,0,0]=4 2722 B12R1.452 COc1ccc(c(c1)N)C(=O)O TS47402 [0,2,0,0,0,0|1,0,0]=3 2723 B12R1.452 COc1ccc(c(c1)O)C(=O)N TS12369 [0,2,0,0,0,0|1,0,0]=3 2724 B12R1.452 COc1ccc(c(c1)O)C(=O)O TS60293 [0,2,0,0,0,0|0,0,0]=2 2725 B12R1.452 COc1ccc(c(c1)O)[N+](=O)[O-] TS03353 [0,2,0,0,0,0|1,0,1]=4 2726 B12R1.452 COc1ccc(c(n1)Cl)C(=O)O TS46395 [0,2,0,0,0,0|2,0,0]=4 2727 B12R1.452 c1cc(c(cc1C#N)F)C(=O)O TS71088 [0,2,0,0,0,0|1,0,0]=3 2728 B12R1.452 c1cc(c(cc1C#N)O)[N+](=O)[O-] TS70613 [0,2,0,0,0,0|1,0,1]=4 2729 B12R1.452 c1cc(c(cc1C=O)O)[N+](=O)[O-] TS65088 [0,2,0,0,0,0|1,0,1]=4 2730 B12R1.1703 CC(=NO)c1ccc(cc1Cl)Cl TS19674 [0,2,0,0,0,0|2,0,0]=4 2731 B12R1.1703 CC(=NO)c1ccc(cc1O)O TS12367 [0,2,0,0,0,0|1,0,0]=3 2732 B12R1.1703 CCC(=O)c1ccc(cc1C)C TS11586 [0,2,0,0,0,0|2,0,0]=4 2733 B12R1.1703 CCC(=O)c1ccc(cc1Cl)Cl TS19507 [0,2,0,0,0,0|2,0,0]=4 2734 B12R1.1703 CCC(=O)c1ccc(cc1F)F TS47220 [0,2,0,0,0,0|2,0,0]=4 2735 B12R1.1703 CCC(=O)c1ccc(cc1O)Br TS52785 [0,2,0,0,0,0|1,0,0]=3 2736 B12R1.1703 CCC(=O)c1ccc(cc1O)N TS12033 [0,2,0,0,0,0|1,0,0]=3 2737 B12R1.1703 CCC(=O)c1ccc(cc1O)O TS43045 [0,2,0,0,0,0|1,0,0]=3 2738 B12R1.1703 CNC(=O)c1ccc(cc1F)Br TS94070 [0,2,0,0,0,0|2,0,0]=4 2739 B12R1.1703 COC(=O)c1c(cc(cn1)Br)N TS91343 [0,2,0,0,0,0|2,0,0]=4 2740 B12R1.1703 COC(=O)c1ccc(cc1Br)F TS53412 [0,2,0,0,0,0|1,0,0]=3 2741 B12R1.1703 COC(=O)c1ccc(cc1Cl)Cl TS56235 [0,2,0,0,0,0|1,0,0]=3 2742 B12R1.1703 COC(=O)c1ccc(cc1Cl)F TS16079 [0,2,0,0,0,0|1,0,0]=3 2743 B12R1.1703 COC(=O)c1ccc(cc1Cl)O TS08828 [0,2,0,0,0,0|1,0,0]=3 2744 B12R1.1703 COC(=O)c1ccc(cc1F)F TS56236 [0,2,0,0,0,0|1,0,0]=3 2745 B12R1.1703 COC(=O)c1ccc(cc1F)N TS08590 [0,2,0,0,0,0|1,0,0]=3 2746 B12R1.1703 COC(=O)c1ccc(cc1N)Br TS56230 [0,2,0,0,0,0|1,0,0]=3 2747 B12R1.1703 COC(=O)c1ccc(cc1N)Cl TS56244 [0,2,0,0,0,0|1,0,0]=3 2748 B12R1.1703 COC(=O)c1ccc(cc1O)F TS77151 [0,2,0,0,0,0|0,0,0]=2 2749 B12R1.1703 COC(=O)c1ccc(cc1O)N TS60146 [0,2,0,0,0,0|0,0,0]=2 2750 B12R1.1703 COC(=O)c1ccc(cc1O)O TS44823 [0,2,0,0,0,0|0,0,0]=2 2751 B12R1.1703 COC(=O)c1ccc(nc1N)Cl TS90534 [0,2,0,0,0,0|2,0,0]=4 2752 B12R1.1703 COC(=O)c1cnc(cc1Cl)Cl TS08587 [0,2,0,0,0,0|2,0,0]=4 2753 B12R1.1703 Cc1cc(c(cn1)C(=O)OC)Br TS70985 [0,2,0,0,0,0|2,0,0]=4 2754 B12R1.1703 Cc1cc(c(cn1)C(=O)OC)Cl TS09665 [0,2,0,0,0,0|2,0,0]=4 2755 B12R1.1703 Cc1cc(ccc1C(=O)OC)Br TS56286 [0,2,0,0,0,0|1,0,0]=3 2756 B12R1.1703 Cc1cc(ccc1C(=O)OC)N TS32962 [0,2,0,0,0,0|1,0,0]=3 2757 B12R1.1703 Cc1cc(cnc1C(=O)OC)Br TS16994 [0,2,0,0,0,0|2,0,0]=4 2758 B12R1.1703 Cc1ccc(c(c1)Br)C(=O)OC TS08554 [0,2,0,0,0,0|1,0,0]=3 2759 B12R1.1703 Cc1ccc(c(c1)C)C(=O)CBr TS52465 [0,2,0,0,0,0|2,0,0]=4 2760 B12R1.1703 Cc1ccc(c(c1)C)C(=O)OC TS42735 [0,2,0,0,0,0|1,0,0]=3 2761 B12R1.1703 Cc1ccc(c(c1)O)C(=O)OC TS16574 [0,2,0,0,0,0|0,0,0]=2 2762 B12R1.1703 Cc1ccc(c(n1)Br)C(=O)OC TS08369 [0,2,0,0,0,0|2,0,0]=4 2763 B12R1.1703 c1cc(c(cc1Br)Br)C(=O)CBr TS79366 [0,2,0,0,0,0|2,0,0]=4 2764 B12R1.1703 c1cc(c(cc1Br)Cl)C(=O)NN TS27949 [0,2,0,0,0,0|2,0,0]=4 2765 B12R1.1703 c1cc(c(cc1Cl)Cl)C(=NO)Cl TS23901 [0,2,0,0,0,0|2,0,0]=4 2766 B12R1.1703 c1cc(c(cc1Cl)Cl)C(=O)CBr TS30478 [0,2,0,0,0,0|2,0,0]=4 2767 B12R1.1703 c1cc(c(cc1Cl)Cl)C(=O)CCl TS50371 [0,2,0,0,0,0|2,0,0]=4 2768 B12R1.1703 c1cc(c(cc1Cl)Cl)C(=O)CN TS26600 [0,2,0,0,0,0|2,0,0]=4 2769 B12R1.1703 c1cc(c(cc1Cl)Cl)C(=O)CN TS47347 [0,2,0,0,0,0|2,0,0]=4 2770 B12R1.1703 c1cc(c(cc1Cl)Cl)C(=O)CO TS19898 [0,2,0,0,0,0|1,0,0]=3 2771 B12R1.1703 c1cc(c(cc1Cl)Cl)C(=O)NN TS38746 [0,2,0,0,0,0|2,0,0]=4 2772 B12R1.1703 c1cc(c(cc1Cl)O)C(=O)NO TS50612 [0,2,0,0,0,0|0,0,0]=2 2773 B12R1.1703 c1cc(c(cc1F)F)C(=O)C=O TS47217 [0,2,0,0,0,0|1,0,1]=4 2774 B12R1.1703 c1cc(c(cc1F)F)C(=O)CBr TS25674 [0,2,0,0,0,0|2,0,0]=4 2775 B12R1.1703 c1cc(c(cc1F)F)C(=O)CCl TS65390 [0,2,0,0,0,0|2,0,0]=4 2776 B12R1.1703 c1cc(c(cc1F)F)C(=O)CN TS43342 [0,2,0,0,0,0|2,0,0]=4 2777 B12R1.1703 c1cc(c(cc1F)F)C(=O)CN TS47349 [0,2,0,0,0,0|2,0,0]=4 2778 B12R1.1703 c1cc(c(cc1F)F)C(=O)CO TS45419 [0,2,0,0,0,0|1,0,0]=3 2779 B12R1.1703 c1cc(c(cc1F)F)C(=O)NN TS45422 [0,2,0,0,0,0|2,0,0]=4 2780 B12R1.1703 c1cc(c(cc1O)O)C(=O)CBr TS53124 [0,2,0,0,0,0|1,0,0]=3 2781 B12R1.1703 c1cc(c(cc1O)O)C(=O)NN TS44835 [0,2,0,0,0,0|1,0,0]=3 2782 B12R1.354 CCC(=O)c1cc(ccc1F)F TS45097 [0,2,0,0,0,0|2,0,0]=4 2783 B12R1.354 CCC(=O)c1cc(ccc1N)Br TS24459 [0,2,0,0,0,0|2,0,0]=4 2784 B12R1.354 CCC(=O)c1cc(ccc1O)Br TS52798 [0,2,0,0,0,0|1,0,0]=3 2785 B12R1.354 CCC(=O)c1cc(ccc1O)C TS42743 [0,2,0,0,0,0|1,0,0]=3 2786 B12R1.354 CCC(=O)c1cc(ccc1O)Cl TS60084 [0,2,0,0,0,0|1,0,0]=3 2787 B12R1.354 CCC(=O)c1cc(ccc1O)F TS44842 [0,2,0,0,0,0|1,0,0]=3 2788 B12R1.354 CCC(=O)c1cc(ccc1O)O TS12160 [0,2,0,0,0,0|1,0,0]=3 2789 B12R1.354 CN(c1cc(ccc1O)O)N=O TS12492 [0,2,0,0,0,0|2,0,0]=4 2790 B12R1.354 COC(=O)c1c(ccc(n1)Cl)Cl TS38920 [0,2,0,0,0,0|2,0,0]=4 2791 B12R1.354 COC(=O)c1c(ccc(n1)Cl)N TS86451 [0,2,0,0,0,0|2,0,0]=4 2792 B12R1.354 COC(=O)c1c(ccc(n1)N)Br TS25007 [0,2,0,0,0,0|2,0,0]=4 2793 B12R1.354 COC(=O)c1cc(ccc1Br)Br TS58437 [0,2,0,0,0,0|1,0,0]=3 2794 B12R1.354 COC(=O)c1cc(ccc1Br)Cl TS29461 [0,2,0,0,0,0|1,0,0]=3 2795 B12R1.354 COC(=O)c1cc(ccc1Br)F TS32906 [0,2,0,0,0,0|1,0,0]=3 2796 B12R1.354 COC(=O)c1cc(ccc1Cl)Cl TS19911 [0,2,0,0,0,0|1,0,0]=3 2797 B12R1.354 COC(=O)c1cc(ccc1Cl)I TS58673 [0,2,0,0,0,0|1,0,0]=3 2798 B12R1.354 COC(=O)c1cc(ccc1Cl)N TS15522 [0,2,0,0,0,0|1,0,0]=3 2799 B12R1.354 COC(=O)c1cc(ccc1F)N TS44983 [0,2,0,0,0,0|1,0,0]=3 2800 B12R1.354 COC(=O)c1cc(ccc1I)O TS33984 [0,2,0,0,0,0|1,0,0]=3 2801 B12R1.354 COC(=O)c1cc(ccc1N)Br TS08543 [0,2,0,0,0,0|1,0,0]=3 2802 B12R1.354 COC(=O)c1cc(ccc1N)Cl TS16582 [0,2,0,0,0,0|1,0,0]=3 2803 B12R1.354 COC(=O)c1cc(ccc1N)F TS00786 [0,2,0,0,0,0|1,0,0]=3 2804 B12R1.354 COC(=O)c1cc(ccc1N)I TS31197 [0,2,0,0,0,0|1,0,0]=3 2805 B12R1.354 COC(=O)c1cc(ccc1O)Br TS53120 [0,2,0,0,0,0|0,0,0]=2 2806 B12R1.354 COC(=O)c1cc(ccc1O)Cl TS15713 [0,2,0,0,0,0|0,0,0]=2 2807 B12R1.354 COC(=O)c1cc(ccc1O)F TS16583 [0,2,0,0,0,0|0,0,0]=2 2808 B12R1.354 COC(=O)c1cc(ccc1O)I TS33987 [0,2,0,0,0,0|0,0,0]=2 2809 B12R1.354 COC(=O)c1cc(ccc1O)N TS43220 [0,2,0,0,0,0|0,0,0]=2 2810 B12R1.354 COC(=O)c1cc(ccc1O)O TS60141 [0,2,0,0,0,0|0,0,0]=2 2811 B12R1.354 COC(=O)c1cc(cnc1Br)Br TS89732 [0,2,0,0,0,0|2,0,0]=4 2812 B12R1.354 COC(=O)c1cc(cnc1Cl)Br TS56302 [0,2,0,0,0,0|2,0,0]=4 2813 B12R1.354 COC(=O)c1cc(cnc1Cl)Cl TS56237 [0,2,0,0,0,0|2,0,0]=4 2814 B12R1.354 COC(=O)c1cc(cnc1N)Br TS25008 [0,2,0,0,0,0|2,0,0]=4 2815 B12R1.354 COC(=O)c1cc(cnc1N)Br TS86954 [0,2,0,0,0,0|2,0,0]=4 2816 B12R1.354 COC(=O)c1cc(cnc1O)Br TS88516 [0,2,0,0,0,0|1,0,0]=3 2817 B12R1.354 COC(=O)c1cc(ncc1Br)Cl TS28102 [0,2,0,0,0,0|2,0,0]=4 2818 B12R1.354 COC(=O)c1cc(ncc1N)Br TS87939 [0,2,0,0,0,0|2,0,0]=4 2819 B12R1.354 Cc1cc(c(nc1)N)C(=O)OC TS43065 [0,2,0,0,0,0|2,0,0]=4 2820 B12R1.354 Cc1ccc(c(c1)C(=O)CBr)O TS52794 [0,2,0,0,0,0|1,0,0]=3 2821 B12R1.354 Cc1ccc(c(c1)C(=O)NN)N TS12037 [0,2,0,0,0,0|2,0,0]=4 2822 B12R1.354 Cc1ccc(c(c1)C(=O)NO)O TS12353 [0,2,0,0,0,0|0,0,0]=2 2823 B12R1.354 Cc1ccc(c(c1)C(=O)OC)I TS31069 [0,2,0,0,0,0|1,0,0]=3 2824 B12R1.354 Cc1ccc(c(c1)C(=O)OC)O TS16588 [0,2,0,0,0,0|0,0,0]=2 2825 B12R1.354 Cc1ccc(cc1C(=O)OC)Br TS85253 [0,2,0,0,0,0|1,0,0]=3 2826 B12R1.354 Cc1ccc(cc1C(=O)OC)F TS16584 [0,2,0,0,0,0|1,0,0]=3 2827 B12R1.354 Cc1ccc(cc1C(=O)OC)I TS33764 [0,2,0,0,0,0|1,0,0]=3 2828 B12R1.354 Cc1ccc(cc1C(=O)OC)N TS56296 [0,2,0,0,0,0|1,0,0]=3 2829 B12R1.354 Cc1ccc(cc1C(=O)OC)O TS12198 [0,2,0,0,0,0|1,0,0]=3 2830 B12R1.354 Cc1ccc(nc1C(=O)OC)Cl TS00162 [0,2,0,0,0,0|2,0,0]=4 2831 B12R1.354 c1cc(c(cc1Br)C(=O)CBr)O TS58432 [0,2,0,0,0,0|1,0,0]=3 2832 B12R1.354 c1cc(c(cc1Cl)C(=O)C#N)Cl TS18925 [0,2,0,0,0,0|2,0,0]=4 2833 B12R1.354 c1cc(c(cc1Cl)C(=O)CBr)Cl TS30476 [0,2,0,0,0,0|2,0,0]=4 2834 B12R1.354 c1cc(c(cc1Cl)C(=O)CBr)O TS27944 [0,2,0,0,0,0|1,0,0]=3 2835 B12R1.354 c1cc(c(cc1Cl)C(=O)NN)Cl TS38739 [0,2,0,0,0,0|2,0,0]=4 2836 B12R1.354 c1cc(c(cc1Cl)C(=O)NN)N TS48795 [0,2,0,0,0,0|2,0,0]=4 2837 B12R1.354 c1cc(c(cc1Cl)C(=O)NN)O TS48988 [0,2,0,0,0,0|1,0,0]=3 2838 B12R1.354 c1cc(c(cc1Cl)C(=O)NO)O TS50615 [0,2,0,0,0,0|0,0,0]=2 2839 B12R1.354 c1cc(c(cc1F)C(=O)CBr)O TS53410 [0,2,0,0,0,0|1,0,0]=3 2840 B12R1.354 c1cc(c(cc1F)C(=O)CCl)F TS08385 [0,2,0,0,0,0|2,0,0]=4 2841 B12R1.354 c1cc(c(cc1O)C(=O)CBr)O TS53114 [0,2,0,0,0,0|1,0,0]=3 2842 B12R1.453 CC(=O)c1cc(ccc1O)C#N TS08802 [0,2,0,0,0,0|1,0,0]=3 2843 B12R1.453 CC(=O)c1cc(ccc1O)OC TS01830 [0,2,0,0,0,0|1,0,0]=3 2844 B12R1.453 CCc1ccc(c(c1)C(=O)C)O TS42737 [0,2,0,0,0,0|1,0,0]=3 2845 B12R1.453 COc1cc(c(cn1)Br)C(=O)O TS53248 [0,2,0,0,0,0|2,0,0]=4 2846 B12R1.453 COc1cc(c(cn1)Cl)C(=O)O TS50613 [0,2,0,0,0,0|2,0,0]=4 2847 B12R1.453 COc1cc(c(cn1)F)C(=O)O TS45275 [0,2,0,0,0,0|2,0,0]=4 2848 B12R1.453 COc1cc(c(cn1)N)C(=O)O TS71365 [0,2,0,0,0,0|2,0,0]=4 2849 B12R1.453 COc1cc(c(nc1)Cl)C(=O)O TS89373 [0,2,0,0,0,0|2,0,0]=4 2850 B12R1.453 COc1ccc(c(c1)C(=O)Cl)Br TS27942 [0,2,0,0,0,0|2,0,0]=4 2851 B12R1.453 COc1ccc(c(c1)C(=O)N)O TS12363 [0,2,0,0,0,0|1,0,0]=3 2852 B12R1.453 COc1ccc(c(c1)C(=O)O)Br TS08351 [0,2,0,0,0,0|1,0,0]=3 2853 B12R1.453 COc1ccc(c(c1)C(=O)O)Cl TS22996 [0,2,0,0,0,0|1,0,0]=3 2854 B12R1.453 COc1ccc(c(c1)C(=O)O)F TS60282 [0,2,0,0,0,0|1,0,0]=3 2855 B12R1.453 COc1ccc(c(c1)C(=O)O)N TS47437 [0,2,0,0,0,0|1,0,0]=3 2856 B12R1.453 COc1ccc(c(c1)C(=O)O)O TS17013 [0,2,0,0,0,0|0,0,0]=2 2857 B12R1.453 COc1ccc(c(c1)C(=O)O)O TS44815 [0,2,0,0,0,0|0,0,0]=2 2858 B12R1.453 COc1ccc(c(c1)[N+](=O)[O-])O TS59621 [0,2,0,0,0,0|1,0,1]=4 2859 B12R1.453 Cc1ccc(cc1C(=O)O)OC TS03350 [0,2,0,0,0,0|1,0,0]=3 2860 B12R1.453 c1cc(c(cc1C#N)C(=O)O)F TS07829 [0,2,0,0,0,0|1,0,0]=3 2861 B12R1.453 c1cc(c(cc1C#N)[N+](=O)[O-])O TS02174 [0,2,0,0,0,0|1,0,1]=4 2862 B12R1.453 c1cc(c(cc1C=O)C(=O)O)F TS39276 [0,2,0,0,0,0|1,0,0]=3 2863 B12R1.453 c1cc(c(cc1C=O)C(=O)O)O TS71559 [0,2,0,0,0,0|0,0,0]=2 2864 B12R1.453 c1cc(c(cc1C=O)[N+](=O)[O-])O TS03120 [0,2,0,0,0,0|1,0,1]=4 2865 B12R1.453 c1cc(c(cc1CN)C(=O)O)O TS71380 [0,2,0,0,0,0|0,0,0]=2 2866 B12R1.453 c1cc(c(cc1CO)[N+](=O)[O-])O TS12647 [0,2,0,0,0,0|1,0,1]=4 2867 B12R1.308 C=COC(=O)c1ccccc1Cl TS48356 [0,2,0,0,0,0|1,0,0]=3 2868 B12R1.308 CCCC(=O)c1ccccc1O TS42728 [0,2,0,0,0,0|1,0,0]=3 2869 B12R1.308 CCNC(=O)c1ccccc1Br TS24454 [0,2,0,0,0,0|2,0,0]=4 2870 B12R1.308 CCNC(=O)c1ccccc1N TS42763 [0,2,0,0,0,0|2,0,0]=4 2871 B12R1.308 CCOC(=O)c1ccccc1Br TS52778 [0,2,0,0,0,0|1,0,0]=3 2872 B12R1.308 CCOC(=O)c1ccccc1C TS11892 [0,2,0,0,0,0|1,0,0]=3 2873 B12R1.308 CCOC(=O)c1ccccc1Cl TS15373 [0,2,0,0,0,0|1,0,0]=3 2874 B12R1.308 CCOC(=O)c1ccccc1F TS44853 [0,2,0,0,0,0|1,0,0]=3 2875 B12R1.308 CCOC(=O)c1ccccc1N TS39641 [0,2,0,0,0,0|1,0,0]=3 2876 B12R1.308 CCOC(=O)c1ccccc1O TS12199 [0,2,0,0,0,0|0,0,0]=2 2877 B12R1.308 CCOC(=O)c1ccccc1S TS15010 [0,2,0,0,0,0|0,1,0]=3 2878 B12R1.308 CCOC(=O)c1ccccc1[Zn+] TS58500 [0,2,0,0,0,0|1,0,0]=3 2879 B12R1.308 CCOC(=O)c1cccnc1C TS02437 [0,2,0,0,0,0|2,0,0]=4 2880 B12R1.308 CCOC(=O)c1cccnc1Cl TS55914 [0,2,0,0,0,0|2,0,0]=4 2881 B12R1.308 CCOC(=O)c1cccnc1N TS08493 [0,2,0,0,0,0|2,0,0]=4 2882 B12R1.308 CCOC(=O)c1ccncc1Cl TS15514 [0,2,0,0,0,0|2,0,0]=4 2883 B12R1.308 CCOC(=O)c1ccncc1N TS08508 [0,2,0,0,0,0|2,0,0]=4 2884 B12R1.308 CCOC(=O)c1ccncc1O TS91202 [0,2,0,0,0,0|1,0,0]=3 2885 B12R1.308 CCOC(=O)c1cnccc1Br TS24820 [0,2,0,0,0,0|2,0,0]=4 2886 B12R1.308 CCOC(=O)c1cnccc1Cl TS09677 [0,2,0,0,0,0|2,0,0]=4 2887 B12R1.308 CCOC(=O)c1cnccc1N TS03006 [0,2,0,0,0,0|2,0,0]=4 2888 B12R1.308 Cc1ccccc1C(=O)N=C=S TS46293 [0,2,0,0,0,0|1,1,0]=4 2889 B12R1.308 c1ccc(c(c1)C(=O)CC#N)Br TS01775 [0,2,0,0,0,0|2,0,0]=4 2890 B12R1.308 c1ccc(c(c1)C(=O)CC#N)Cl TS55274 [0,2,0,0,0,0|2,0,0]=4 2891 B12R1.308 c1ccc(c(c1)C(=O)CC#N)F TS11670 [0,2,0,0,0,0|2,0,0]=4 2892 B12R1.308 c1ccc(c(c1)C(=O)CC#N)I TS74086 [0,2,0,0,0,0|2,0,0]=4 2893 B12R1.308 c1ccc(c(c1)C(=O)N=C=S)Cl TS53923 [0,2,0,0,0,0|1,1,0]=4 2894 B10R1.18 c1ccc(cc1)CC(=O)O TS06169 [0,0,1,1,0,0|1,0,1]=4 2895 B10R1.18 c1ccc(cc1)CC(=O)O TS37162 [0,0,1,1,0,0|1,0,1]=4 2896 B10R1.18 c1ccnc(c1)CC(=O)O TS02474 [0,0,1,1,0,0|1,0,1]=4 2897 B10R1.66 CC(=O)C=Cc1ccco1 TS70735 [0,0,1,1,0,0|1,0,0]=3 2898 B10R1.66 CC(=O)C=Cc1cccs1 TS41166 [0,0,1,1,0,0|1,1,0]=4 2899 B10R1.66 c1c(nc[nH]1)C=CC(=O)O TS71177 [0,0,1,1,0,0|2,0,0]=4 2900 B10R1.66 c1cc(oc1)C=CC(=O)O TS06232 [0,0,1,1,0,0|0,0,0]=2 2901 B10R1.66 c1cc(oc1)C=CC(=O)O TS94913 [0,0,1,1,0,0|0,0,0]=2 2902 B10R1.66 c1cc(oc1)C=C[N+](=O)[O-] TS06353 [0,0,1,1,0,0|1,0,1]=4 2903 B10R1.66 c1cc(oc1)CCC(=O)O TS37339 [0,0,1,1,0,0|0,0,2]=4 2904 B10R1.66 c1cc(sc1)C=CC(=O)Cl TS45576 [0,0,1,1,0,0|1,1,0]=4 2905 B10R1.66 c1cc(sc1)C=CC(=O)O TS41387 [0,0,1,1,0,0|0,1,0]=3 2906 B10R1.66 c1cocc1C=CC(=O)O TS06234 [0,0,1,1,0,0|2,0,0]=4 2907 B10R1.66 c1cscc1C=CC(=O)O TS41388 [0,0,1,1,0,0|2,0,0]=4 2908 B10R1.8 c1c(cc(cc1O)O)C=O TS02591 [0,0,1,1,0,0|2,0,0]=4 2909 B10R1.23 c1cc(oc1)C(=O)C(=O)N TS06348 [0,0,1,1,0,0|2,0,0]=4 2910 B10R1.23 c1cc(oc1)C(=O)C(=O)O TS02176 [0,0,1,1,0,0|1,0,0]=3 2911 B10R1.23 c1cc(oc1)C(C(=O)O)N TS06573 [0,0,1,1,0,0|1,0,1]=4 2912 B10R1.23 c1cc(sc1)C(=O)C(=O)O TS10665 [0,0,1,1,0,0|1,1,0]=4 2913 B10R2.6 c1ccc(cc1)C2CO2 TS04809 [1,0,0,1,0,0|1,0,1]=4 2914 B10R2.6 c1ccc(cc1)[C@@H]2CO2 TS59486 [1,0,0,1,0,0|1,0,1]=4 2915 B10R2.6 c1ccc(cc1)[C@H]2CO2 TS59491 [1,0,0,1,0,0|1,0,1]=4 2916 B10R2.320 c1ccc2c(c1)CC2=O TS55758 [1,0,0,1,0,0|1,0,0]=3 2917 B10R2.7 B1Oc2ccccc2O1 TS39809 [1,0,0,1,0,0|2,0,0]=4 2918 B10R2.7 c1cc2c(cco2)nc1 TS89676 [1,0,0,1,0,0|2,0,0]=4 2919 B10R2.7 c1ccc2c(c1)CC=C2 TS21648 [1,0,0,1,0,0|2,0,0]=4 2920 B10R2.7 c1ccc2c(c1)CC=C2 TS39603 [1,0,0,1,0,0|2,0,0]=4 2921 B10R2.7 c1ccc2c(c1)CCO2 TS00572 [1,0,0,1,0,0|1,0,1]=4 2922 B10R2.7 c1ccc2c(c1)COC2 TS04810 [1,0,0,1,0,0|1,0,1]=4 2923 B10R2.7 c1ccc2c(c1)OCO2 TS39811 [1,0,0,1,0,0|2,0,0]=4 2924 B10R2.7 c1ccc2c(c1)cc[nH]2 TS59671 [1,0,0,1,0,0|2,0,0]=4 2925 B10R2.7 c1ccc2c(c1)cc[se]2 TS48035 [1,0,0,1,0,0|1,1,0]=4 2926 B10R2.7 c1ccc2c(c1)cco2 TS39813 [1,0,0,1,0,0|1,0,0]=3 2927 B10R2.7 c1ccc2c(c1)ccs2 TS55756 [1,0,0,1,0,0|1,1,0]=4 2928 B10R2.7 c1ccc2c(c1)cn[nH]2 TS04722 [1,0,0,1,0,0|2,0,0]=4 2929 B10R2.7 c1ccc2c(c1)cn[nH]2 TS72162 [1,0,0,1,0,0|2,0,0]=4 2930 B10R2.7 c1ccc2c(c1)cno2 TS32395 [1,0,0,1,0,0|1,0,0]=3 2931 B10R2.7 c1ccc2c(c1)cns2 TS06001 [1,0,0,1,0,0|1,1,0]=4 2932 B10R2.7 c1ccc2c(c1)con2 TS32394 [1,0,0,1,0,0|1,0,0]=3 2933 B10R2.7 c1ccc2c(c1)nco2 TS32393 [1,0,0,1,0,0|2,0,0]=4 2934 B10R2.7 c1ccc2c(c1)non2 TS47106 [1,0,0,1,0,0|2,0,0]=4 2935 B12R2.24 c1cc2c(nc1)NC(=O)CO2 TS46411 [0,0,0,1,0,1|2,0,0]=4 2936 B12R2.24 c1ccc2c(c1)CC(=O)CO2 TS07410 [0,0,0,1,0,1|1,0,0]=3 2937 B12R2.24 c1ccc2c(c1)CC(=O)CS2 TS11911 [0,0,0,1,0,1|1,1,0]=4 2938 B12R2.24 c1ccc2c(c1)CC(=O)NC2 TS46807 [0,0,0,1,0,1|2,0,0]=4 2939 B12R2.24 c1ccc2c(c1)CC(=O)OC2 TS08988 [0,0,0,1,0,1|1,0,0]=3 2940 B12R2.24 c1ccc2c(c1)CCC(=O)C2 TS65651 [0,0,0,1,0,1|2,0,0]=4 2941 B12R2.24 c1ccc2c(c1)CCC(=O)N2 TS02541 [0,0,0,1,0,1|2,0,0]=4 2942 B12R2.24 c1ccc2c(c1)CCC(=O)O2 TS01918 [0,0,0,1,0,1|2,0,0]=4 2943 B12R2.24 c1ccc2c(c1)NC(=O)CO2 TS46410 [0,0,0,1,0,1|1,0,0]=3 2944 B12R2.24 c1ccc2c(c1)NC(=O)CS2 TS42929 [0,0,0,1,0,1|1,1,0]=4 2945 B12R2.24 c1ccc2c(c1)NCC(=O)N2 TS32785 [0,0,0,1,0,1|2,0,0]=4 2946 B12R2.24 c1ccc2c(c1)OC=C(O2)Br TS44287 [0,0,0,1,0,1|2,0,0]=4 2947 B12R2.24 c1ccc2c(c1)cc(cn2)O TS02804 [0,0,0,1,0,1|2,0,0]=4 2948 B12R2.24 c1ccc2c(c1)ccc(=O)o2 TS07170 [0,0,0,1,0,1|2,0,0]=4 2949 B12R2.24 c1ccc2c(c1)ccc(n2)O TS07083 [0,0,0,1,0,1|2,0,0]=4 2950 B12R2.24 c1ccc2c(c1)ccc(n2)O TS94826 [0,0,0,1,0,1|2,0,0]=4 2951 B12R2.24 c1ccc2c(c1)ncc(n2)O TS07193 [0,0,0,1,0,1|2,0,0]=4 2952 B12R2.24 c1ccc2cc(ccc2c1)O TS39906 [0,0,0,1,0,1|2,0,0]=4 2953 B12R2.24 c1ccc2cnc(cc2c1)O TS70624 [0,0,0,1,0,1|2,0,0]=4 2954 B12R2.95 c1ccc2c(c1)OP(=O)(O2)Cl TS17181 [0,0,0,1,0,1|2,0,0]=4 2955 B12R2.202 Cc1cc2c([nH]1)cccc2O TS39281 [0,0,0,1,0,1|2,0,0]=4 2956 B12R2.202 Cc1cccc2c1nc(s2)O TS42916 [0,0,0,1,0,1|1,1,0]=4 2957 B12R2.202 c1cc(c2c(c1)sc(=O)[nH]2)F TS45001 [0,0,0,1,0,1|1,1,0]=4 2958 B12R2.202 c1cc(c2c(c1)sc(n2)N)O TS47398 [0,0,0,1,0,1|1,1,0]=4 2959 B12R2.202 c1cc2c(c(c1)Br)CC(=O)C2 TS21068 [0,0,0,1,0,1|2,0,0]=4 2960 B12R2.202 c1cc2c(c(c1)Br)CC(=O)N2 TS70998 [0,0,0,1,0,1|2,0,0]=4 2961 B12R2.202 c1cc2c(c(c1)Br)NC(=O)C2 TS21232 [0,0,0,1,0,1|2,0,0]=4 2962 B12R2.202 c1cc2c(c(c1)Br)[nH]c(=O)s2 TS09581 [0,0,0,1,0,1|1,1,0]=4 2963 B12R2.202 c1cc2c(c(c1)Cl)CC(=O)C2 TS12307 [0,0,0,1,0,1|2,0,0]=4 2964 B12R2.202 c1cc2c(c(c1)Cl)CC(=O)N2 TS60055 [0,0,0,1,0,1|2,0,0]=4 2965 B12R2.202 c1cc2c(c(c1)F)CC(=O)N2 TS40977 [0,0,0,1,0,1|2,0,0]=4 2966 B12R2.202 c1cc2c(c(c1)F)NC(=O)C2 TS40986 [0,0,0,1,0,1|2,0,0]=4 2967 B12R2.3190 c1ccc2c(c1)CC2C(=O)O TS39585 [0,0,0,1,0,1|1,0,0]=3 2968 B12R2.1081 c1ccc2c(c1)C(=O)CCN2 TS00567 [0,1,0,1,0,0|2,0,0]=4 2969 B12R2.1081 c1ccc2c(c1)C(=O)CCO2 TS71085 [0,1,0,1,0,0|1,0,0]=3 2970 B12R2.1081 c1ccc2c(c1)C(=O)CCS2 TS00277 [0,1,0,1,0,0|1,1,0]=4 2971 B12R2.1081 c1ccc2c(c1)C(CCO2)O TS09864 [0,1,0,1,0,0|1,0,1]=4 2972 B12R2.1081 c1ccc2c(c1)CCCC2=O TS07218 [0,1,0,1,0,0|2,0,0]=4 2973 B12R2.1081 c1ccc2c(c1)CCNC2=O TS02547 [0,1,0,1,0,0|2,0,0]=4 2974 B12R2.1081 c1ccc2c(c1)CCOC2=O TS77141 [0,1,0,1,0,0|1,0,0]=3 2975 B12R2.1081 c1ccc2c(c1)COC=C2O TS07416 [0,1,0,1,0,0|1,0,0]=3 2976 B12R2.1081 c1ccc2c(c1)COCC2=O TS86678 [0,1,0,1,0,0|1,0,0]=3 2977 B12R2.1081 c1ccc2c(c1)c(=O)cco2 TS07175 [0,1,0,1,0,0|1,0,0]=3 2978 B12R2.1081 c1ccc2c(c1)c(ccn2)O TS93944 [0,1,0,1,0,0|2,0,0]=4 2979 B12R2.1081 c1ccc2c(c1)cccc2O TS47010 [0,1,0,1,0,0|2,0,0]=4 2980 B12R2.1081 c1ccc2c(c1)cn[nH]c2=O TS59343 [0,1,0,1,0,0|2,0,0]=4 2981 B12R2.1081 c1ccc2c(c1)cncc2O TS03125 [0,1,0,1,0,0|2,0,0]=4 2982 B12R2.2028 CC1CC(=O)c2c1cccc2 TS07233 [0,1,0,1,0,0|2,0,0]=4 2983 B12R2.2028 c1cc2c(nc1)C(=O)OC2=O TS47175 [0,1,0,1,0,0|1,0,1]=4 2984 B12R2.2028 c1ccc2c(c1)C(=N)NC2=O TS07194 [0,1,0,1,0,0|2,0,0]=4 2985 B12R2.2028 c1ccc2c(c1)C(=O)CC2=O TS07172 [0,1,0,1,0,0|1,0,1]=4 2986 B12R2.2028 c1ccc2c(c1)C(=O)NC2=O TS44977 [0,1,0,1,0,0|1,0,1]=4 2987 B12R2.2028 c1ccc2c(c1)C(=O)NC2=O TS74530 [0,1,0,1,0,0|1,0,1]=4 2988 B12R2.2028 c1ccc2c(c1)C(=O)OC2=O TS74508 [0,1,0,1,0,0|0,0,1]=3 2989 B12R2.2028 c1ccc2c(c1)C(CC2O)O TS40841 [0,1,0,1,0,0|1,0,1]=4 2990 B12R2.2028 c1ccc2c(c1)C(OC2=O)Br TS44286 [0,1,0,1,0,0|1,0,0]=3 2991 B12R2.2028 c1ccc2c(c1)C(OC2=O)Cl TS46457 [0,1,0,1,0,0|1,0,0]=3 2992 B12R2.2028 c1cncc2c1C(=O)OC2=O TS36363 [0,1,0,1,0,0|1,0,1]=4 2993 B12R2.2028 c1cncc2c1C(=O)OC2=O TS40711 [0,1,0,1,0,0|1,0,1]=4 2994 B12R2.203 Cc1cccc2c1C(=O)CC2 TS07220 [0,1,0,1,0,0|2,0,0]=4 2995 B12R2.203 Cc1cccc2c1C(=O)OC2 TS55693 [0,1,0,1,0,0|1,0,0]=3 2996 B12R2.203 Cc1cccc2c1c(n[nH]2)O TS40614 [0,1,0,1,0,0|2,0,0]=4 2997 B12R2.203 c1cc2c(c(c1)Br)C(=O)CC2 TS16489 [0,1,0,1,0,0|2,0,0]=4 2998 B12R2.203 c1cc2c(c(c1)Br)C(=O)CO2 TS44284 [0,1,0,1,0,0|1,0,0]=3 2999 B12R2.203 c1cc2c(c(c1)Br)C(=O)NC2 TS21237 [0,1,0,1,0,0|2,0,0]=4 3000 B12R2.203 c1cc2c(c(c1)Br)c(=O)[nH][nH]2 TS87842 [0,1,0,1,0,0|2,0,0]=4 3001 B12R2.203 c1cc2c(c(c1)Cl)C(=O)CC2 TS12305 [0,1,0,1,0,0|2,0,0]=4 3002 B12R2.203 c1cc2c(c(c1)Cl)C(=O)OC2 TS16508 [0,1,0,1,0,0|1,0,0]=3 3003 B12R2.203 c1cc2c(c(c1)Cl)c(=O)[nH]o2 TS09630 [0,1,0,1,0,0|1,0,0]=3 3004 B12R2.203 c1cc2c(c(c1)F)C(=O)CC2 TS16516 [0,1,0,1,0,0|2,0,0]=4 3005 B12R2.203 c1cc2c(c(c1)F)c(n[nH]2)O TS41095 [0,1,0,1,0,0|2,0,0]=4 3006 B12R2.203 c1cc2c(c(c1)I)C(=O)CC2 TS00569 [0,1,0,1,0,0|2,0,0]=4 3007 B12R2.203 c1cc2c(c(c1)N)C(=O)CC2 TS40530 [0,1,0,1,0,0|2,0,0]=4 3008 B12R2.203 c1cc2c(c(c1)N)C(=O)NC2 TS91610 [0,1,0,1,0,0|2,0,0]=4 3009 B12R2.203 c1cc2c(c(c1)N)C(=O)OC2 TS40724 [0,1,0,1,0,0|1,0,0]=3 3010 B12R2.203 c1cc2c(c(c1)O)C(=O)CC2 TS85148 [0,1,0,1,0,0|1,0,0]=3 3011 B12R2.196 Cc1cccc2c1CCC2=O TS71227 [0,1,0,1,0,0|2,0,0]=4 3012 B12R2.196 Cc1cccc2c1onc2O TS40720 [0,1,0,1,0,0|1,0,0]=3 3013 B12R2.196 c1cc2c(c(c1)Br)CCC2=O TS70950 [0,1,0,1,0,0|2,0,0]=4 3014 B12R2.196 c1cc2c(c(c1)Br)CNC2=O TS29437 [0,1,0,1,0,0|2,0,0]=4 3015 B12R2.196 c1cc2c(c(c1)Br)COC2=O TS16927 [0,1,0,1,0,0|1,0,0]=3 3016 B12R2.196 c1cc2c(c(c1)Br)[nH]nc2O TS44290 [0,1,0,1,0,0|2,0,0]=4 3017 B12R2.196 c1cc2c(c(c1)Cl)CCC2=O TS03034 [0,1,0,1,0,0|2,0,0]=4 3018 B12R2.196 c1cc2c(c(c1)Cl)COC2=O TS44933 [0,1,0,1,0,0|1,0,0]=3 3019 B12R2.196 c1cc2c(c(c1)Cl)[nH]nc2O TS44942 [0,1,0,1,0,0|2,0,0]=4 3020 B12R2.196 c1cc2c(c(c1)F)CCC2=O TS71114 [0,1,0,1,0,0|2,0,0]=4 3021 B12R2.196 c1cc2c(c(c1)I)CCC2=O TS00568 [0,1,0,1,0,0|2,0,0]=4 3022 B12R2.196 c1cc2c(c(c1)N)CCC2=O TS07324 [0,1,0,1,0,0|2,0,0]=4 3023 B12R2.196 c1cc2c(c(c1)N)CNC2=O TS86640 [0,1,0,1,0,0|2,0,0]=4 3024 B12R2.196 c1cc2c(c(c1)N)COC2=O TS40730 [0,1,0,1,0,0|1,0,0]=3 3025 B12R2.196 c1cc2c(c(c1)O)CCC2=O TS71172 [0,1,0,1,0,0|2,0,0]=4 3026 B12R2.612 Cc1c2ccc(cc2on1)Br TS21239 [0,1,0,1,0,0|2,0,0]=4 3027 B12R2.612 Cc1c2ccc(cc2on1)Cl TS43280 [0,1,0,1,0,0|2,0,0]=4 3028 B12R2.612 Cc1c2ccc(cc2on1)F TS40981 [0,1,0,1,0,0|2,0,0]=4 3029 B12R2.612 Cc1ccc2c(c1)CCC2=O TS55480 [0,1,0,1,0,0|2,0,0]=4 3030 B12R2.612 Cc1ccc2c(c1)COC2=O TS07420 [0,1,0,1,0,0|1,0,0]=3 3031 B12R2.612 Cc1ccc2c(c1)[nH]nc2O TS40615 [0,1,0,1,0,0|2,0,0]=4 3032 B12R2.612 Cc1ccc2c(noc2c1)C TS07343 [0,1,0,1,0,0|2,0,0]=4 3033 B12R2.612 c1c2c(cnc1Cl)C(=O)OC2 TS89827 [0,1,0,1,0,0|2,0,0]=4 3034 B12R2.612 c1cc2c(cc1Br)CCC2=O TS71462 [0,1,0,1,0,0|2,0,0]=4 3035 B12R2.612 c1cc2c(cc1Br)CNC2=O TS16971 [0,1,0,1,0,0|2,0,0]=4 3036 B12R2.612 c1cc2c(cc1Br)COC2=O TS03244 [0,1,0,1,0,0|1,0,0]=3 3037 B12R2.612 c1cc2c(cc1Br)OCC2=O TS22924 [0,1,0,1,0,0|1,0,0]=3 3038 B12R2.612 c1cc2c(cc1Br)[nH]nc2O TS09157 [0,1,0,1,0,0|2,0,0]=4 3039 B12R2.612 c1cc2c(cc1Cl)CCC2=O TS09822 [0,1,0,1,0,0|2,0,0]=4 3040 B12R2.612 c1cc2c(cc1Cl)CNC2=O TS43277 [0,1,0,1,0,0|2,0,0]=4 3041 B12R2.612 c1cc2c(cc1Cl)COC2=O TS44932 [0,1,0,1,0,0|1,0,0]=3 3042 B12R2.612 c1cc2c(cc1Cl)OCC2=O TS71456 [0,1,0,1,0,0|1,0,0]=3 3043 B12R2.612 c1cc2c(cc1Cl)[nH]nc2O TS44938 [0,1,0,1,0,0|2,0,0]=4 3044 B12R2.612 c1cc2c(cc1Cl)onc2O TS85119 [0,1,0,1,0,0|1,0,0]=3 3045 B12R2.612 c1cc2c(cc1F)CCC2=O TS71530 [0,1,0,1,0,0|2,0,0]=4 3046 B12R2.612 c1cc2c(cc1F)COC2=O TS41090 [0,1,0,1,0,0|1,0,0]=3 3047 B12R2.612 c1cc2c(cc1F)OCC2=O TS41087 [0,1,0,1,0,0|1,0,0]=3 3048 B12R2.612 c1cc2c(cc1F)[nH]nc2O TS41097 [0,1,0,1,0,0|2,0,0]=4 3049 B12R2.612 c1cc2c(cc1F)non2=O TS10379 [0,1,0,1,0,0|2,0,0]=4 3050 B12R2.612 c1cc2c(cc1I)CCC2=O TS68075 [0,1,0,1,0,0|2,0,0]=4 3051 B12R2.612 c1cc2c(cc1I)COC2=O TS29408 [0,1,0,1,0,0|1,0,0]=3 3052 B12R2.612 c1cc2c(cc1N)CCC2=O TS71374 [0,1,0,1,0,0|2,0,0]=4 3053 B12R2.612 c1cc2c(cc1N)CNC2=O TS59906 [0,1,0,1,0,0|2,0,0]=4 3054 B12R2.612 c1cc2c(cc1N)COC2=O TS40734 [0,1,0,1,0,0|1,0,0]=3 3055 B12R2.612 c1cc2c(cc1N)[nH]nc2O TS07551 [0,1,0,1,0,0|2,0,0]=4 3056 B12R2.612 c1cc2c(cc1O)CCC2=O TS71567 [0,1,0,1,0,0|2,0,0]=4 3057 B12R2.612 c1cc2c(cc1O)COC2=O TS07650 [0,1,0,1,0,0|1,0,0]=3 3058 B12R2.612 c1cc2c(cc1O)OCC2=O TS55600 [0,1,0,1,0,0|1,0,0]=3 3059 B12R2.132 Cc1ccc2c(c1)C(=O)CC2 TS55624 [0,1,0,1,0,0|2,0,0]=4 3060 B12R2.132 Cc1ccc2c(c1)c(n[nH]2)O TS40625 [0,1,0,1,0,0|2,0,0]=4 3061 B12R2.132 Cc1ccc2c(c1)c(no2)C TS07348 [0,1,0,1,0,0|2,0,0]=4 3062 B12R2.132 c1cc2c(cc1Br)C(=O)CC2 TS55541 [0,1,0,1,0,0|2,0,0]=4 3063 B12R2.132 c1cc2c(cc1Br)C(=O)CN2 TS21234 [0,1,0,1,0,0|2,0,0]=4 3064 B12R2.132 c1cc2c(cc1Br)C(=O)CO2 TS55555 [0,1,0,1,0,0|1,0,0]=3 3065 B12R2.132 c1cc2c(cc1Br)C(=O)NC2 TS90453 [0,1,0,1,0,0|2,0,0]=4 3066 B12R2.132 c1cc2c(cc1Br)C(=O)OC2 TS59731 [0,1,0,1,0,0|1,0,0]=3 3067 B12R2.132 c1cc2c(cc1Br)c(co2)Br TS33752 [0,1,0,1,0,0|2,0,0]=4 3068 B12R2.132 c1cc2c(cc1Br)c(no2)N TS71454 [0,1,0,1,0,0|2,0,0]=4 3069 B12R2.132 c1cc2c(cc1Cl)C(=O)CC2 TS55566 [0,1,0,1,0,0|2,0,0]=4 3070 B12R2.132 c1cc2c(cc1Cl)C(=O)CO2 TS71510 [0,1,0,1,0,0|1,0,0]=3 3071 B12R2.132 c1cc2c(cc1Cl)C(=O)NC2 TS43274 [0,1,0,1,0,0|2,0,0]=4 3072 B12R2.132 c1cc2c(cc1Cl)C(=O)OC2 TS44936 [0,1,0,1,0,0|1,0,0]=3 3073 B12R2.132 c1cc2c(cc1Cl)c(n[nH]2)O TS44939 [0,1,0,1,0,0|2,0,0]=4 3074 B12R2.132 c1cc2c(cc1Cl)n(=O)on2 TS45225 [0,1,0,1,0,0|2,0,0]=4 3075 B12R2.132 c1cc2c(cc1F)C(=O)CC2 TS01223 [0,1,0,1,0,0|2,0,0]=4 3076 B12R2.132 c1cc2c(cc1F)C(=O)CO2 TS32992 [0,1,0,1,0,0|1,0,0]=3 3077 B12R2.132 c1cc2c(cc1F)C(=O)OC2 TS41094 [0,1,0,1,0,0|1,0,0]=3 3078 B12R2.132 c1cc2c(cc1F)c(no2)N TS03317 [0,1,0,1,0,0|2,0,0]=4 3079 B12R2.132 c1cc2c(cc1I)C(=O)CC2 TS01244 [0,1,0,1,0,0|2,0,0]=4 3080 B12R2.132 c1cc2c(cc1I)C(=O)CO2 TS71576 [0,1,0,1,0,0|1,0,0]=3 3081 B12R2.132 c1cc2c(cc1I)C(=O)OC2 TS59736 [0,1,0,1,0,0|1,0,0]=3 3082 B12R2.132 c1cc2c(cc1I)c(n[nH]2)O TS29411 [0,1,0,1,0,0|2,0,0]=4 3083 B12R2.132 c1cc2c(cc1N)C(=O)CC2 TS01205 [0,1,0,1,0,0|2,0,0]=4 3084 B12R2.132 c1cc2c(cc1N)C(=O)NC2 TS91611 [0,1,0,1,0,0|2,0,0]=4 3085 B12R2.132 c1cc2c(cc1N)C(=O)OC2 TS01209 [0,1,0,1,0,0|1,0,0]=3 3086 B12R2.132 c1cc2c(cc1N)c(n[nH]2)O TS16777 [0,1,0,1,0,0|2,0,0]=4 3087 B12R2.132 c1cc2c(cc1O)C(=O)CC2 TS55597 [0,1,0,1,0,0|2,0,0]=4 3088 B12R2.132 c1cc2c(cc1O)C(=O)NC2 TS40732 [0,1,0,1,0,0|2,0,0]=4 3089 B12R2.132 c1cc2c(cc1O)c(n[nH]2)O TS40823 [0,1,0,1,0,0|2,0,0]=4 3090 B12R2.1 COc1c2ccccc2[nH]n1 TS91723 [0,1,0,1,0,0|2,0,0]=4 3091 B12R2.1 c1ccc2c(c1)CCC2=NO TS40528 [0,1,0,1,0,0|2,0,0]=4 3092 B12R2.1 c1ccc2c(c1)c(c[nH]2)C=O TS01491 [0,1,0,1,0,0|2,0,0]=4 3093 B12R2.1 c1ccc2c(c1)c(c[nH]2)CO TS09190 [0,1,0,1,0,0|2,0,0]=4 3094 B12R2.1 c1ccc2c(c1)c(c[nH]2)CO TS42902 [0,1,0,1,0,0|2,0,0]=4 3095 B12R2.1 c1ccc2c(c1)c(cs2)C=O TS55754 [0,1,0,1,0,0|1,1,0]=4 3096 B12R2.1 c1ccc2c(c1)c(cs2)CO TS11910 [0,1,0,1,0,0|1,1,0]=4 3097 B12R2.1 c1ccc2c(c1)c(n[nH]2)C=O TS07202 [0,1,0,1,0,0|2,0,0]=4 3098 B12R2.1 c1ccc2c(c1)c(n[nH]2)CO TS40622 [0,1,0,1,0,0|2,0,0]=4 3099 B12R2.1 c1ccc2c(c1)c(no2)CBr TS21235 [0,1,0,1,0,0|2,0,0]=4 3100 B12R2.18 CC1Cc2ccccc2C1=O TS07227 [0,1,0,1,0,0|2,0,0]=4 3101 B12R2.18 Cc1c(oc2c1cccc2)C TS07222 [0,1,0,1,0,0|2,0,0]=4 3102 B12R2.18 Cn1c2ccccc2oc1=O TS40731 [0,1,0,1,0,0|2,0,0]=4 3103 B12R2.18 c1ccc2c(c1)C(=N)C(=O)N2 TS40395 [0,1,0,1,0,0|2,0,0]=4 3104 B12R2.18 c1ccc2c(c1)C(=O)C(=O)N2 TS47172 [0,1,0,1,0,0|1,0,1]=4 3105 B12R2.18 c1ccc2c(c1)C(C(=O)O2)Br TS44289 [0,1,0,1,0,0|1,0,1]=4 3106 B12R2.18 c1ccc2c(c1)CC(=O)C2=O TS07174 [0,1,0,1,0,0|1,0,1]=4 3107 B12R2.18 c1ccc2c(c1)CC(C2=O)Br TS21064 [0,1,0,1,0,0|2,0,0]=4 3108 B12R2.18 c1ccc2c(c1)CC(C2=O)I TS68074 [0,1,0,1,0,0|2,0,0]=4 3109 B8R1.7 CC(=O)[c-]1cccc1 TS30755 [1,0,0,0,1,0|1,0,1]=4 3110 B8R1.7 CC(=O)c1cc[nH]c1 TS65832 [1,0,0,0,1,0|2,0,0]=4 3111 B8R1.7 CC(=O)c1ccc[nH]1 TS31792 [1,0,0,0,1,0|2,0,0]=4 3112 B8R1.7 CC(=O)c1ccco1 TS04188 [1,0,0,0,1,0|2,0,0]=4 3113 B8R1.7 CC(=O)c1cccs1 TS08262 [1,0,0,0,1,0|2,0,0]=4 3114 B8R1.7 CC(=O)c1ccsc1 TS65833 [1,0,0,0,1,0|2,0,0]=4 3115 B8R1.7 c1c(cn[nH]1)C(=O)O TS00455 [1,0,0,0,1,0|2,0,0]=4 3116 B8R1.7 c1c(con1)C(=O)O TS56204 [1,0,0,0,1,0|2,0,0]=4 3117 B8R1.7 c1c(nc[nH]1)C(=O)O TS46950 [1,0,0,0,1,0|2,0,0]=4 3118 B8R1.7 c1c(nco1)C(=O)O TS00378 [1,0,0,0,1,0|2,0,0]=4 3119 B8R1.7 c1c(ocn1)C(=O)O TS01173 [1,0,0,0,1,0|2,0,0]=4 3120 B8R1.7 c1c[nH]nc1C(=O)O TS87268 [1,0,0,0,1,0|2,0,0]=4 3121 B8R1.7 c1cc([nH]c1)C(=O)N TS31822 [1,0,0,0,1,0|2,0,0]=4 3122 B8R1.7 c1cc([nH]c1)C(=O)O TS01673 [1,0,0,0,1,0|1,0,0]=3 3123 B8R1.7 c1cc(oc1)C(=O)Cl TS36564 [1,0,0,0,1,0|2,0,0]=4 3124 B8R1.7 c1cc(oc1)C(=O)N TS04237 [1,0,0,0,1,0|2,0,0]=4 3125 B8R1.7 c1cc(oc1)C(=O)O TS04269 [1,0,0,0,1,0|1,0,0]=3 3126 B8R1.7 c1cc(sc1)C(=O)Cl TS07285 [1,0,0,0,1,0|2,0,0]=4 3127 B8R1.7 c1cc(sc1)C(=O)N TS05268 [1,0,0,0,1,0|2,0,0]=4 3128 B8R1.7 c1cc(sc1)C(=O)O TS59443 [1,0,0,0,1,0|1,0,0]=3 3129 B8R1.7 c1cc(sc1)C(=O)[O-] TS36230 [1,0,0,0,1,0|1,0,1]=4 3130 B8R1.7 c1cc(sc1)C(=O)[O-] TS40815 [1,0,0,0,1,0|1,0,1]=4 3131 B8R1.7 c1cc[c-](c1)C(=O)O TS24808 [1,0,0,0,1,0|0,0,1]=3 3132 B8R1.7 c1cnc([nH]1)C(=O)O TS46948 [1,0,0,0,1,0|2,0,0]=4 3133 B8R1.7 c1cnsc1C(=O)O TS05447 [1,0,0,0,1,0|2,0,0]=4 3134 B8R1.7 c1coc(n1)C(=O)O TS39923 [1,0,0,0,1,0|2,0,0]=4 3135 B8R1.7 c1cocc1C(=O)Cl TS36565 [1,0,0,0,1,0|2,0,0]=4 3136 B8R1.7 c1cocc1C(=O)O TS02783 [1,0,0,0,1,0|1,0,0]=3 3137 B8R1.7 c1cocc1C(=O)O TS13775 [1,0,0,0,1,0|1,0,0]=3 3138 B8R1.7 c1conc1C(=O)O TS00353 [1,0,0,0,1,0|2,0,0]=4 3139 B8R1.7 c1csc(n1)C(=O)O TS05448 [1,0,0,0,1,0|2,0,0]=4 3140 B8R1.7 c1csc(n1)C(=O)O TS85376 [1,0,0,0,1,0|2,0,0]=4 3141 B8R1.7 c1cscc1C(=O)Cl TS22828 [1,0,0,0,1,0|2,0,0]=4 3142 B8R1.7 c1cscc1C(=O)O TS59444 [1,0,0,0,1,0|1,0,0]=3 3143 B8R1.7 c1csnc1C(=O)O TS91622 [1,0,0,0,1,0|2,0,0]=4 3144 B8R1.11 Cc1cc[nH]c1C=O TS31796 [1,0,0,0,1,0|2,0,0]=4 3145 B8R1.11 Cc1ccsc1C=O TS70683 [1,0,0,0,1,0|2,0,0]=4 3146 B8R1.11 Cn1cccc1C=O TS31795 [1,0,0,0,1,0|2,0,0]=4 3147 B8R1.11 c1c(c(cs1)Br)C=O TS09451 [1,0,0,0,1,0|2,0,0]=4 3148 B8R1.11 c1c[nH]c(c1Br)C=O TS90463 [1,0,0,0,1,0|2,0,0]=4 3149 B8R1.11 c1c[nH]c(c1Cl)C=O TS88935 [1,0,0,0,1,0|2,0,0]=4 3150 B8R1.11 c1coc(c1Br)C=O TS45892 [1,0,0,0,1,0|2,0,0]=4 3151 B8R1.11 c1csc(c1Br)C=O TS60011 [1,0,0,0,1,0|2,0,0]=4 3152 B8R1.11 c1csc(c1Cl)C=O TS02034 [1,0,0,0,1,0|2,0,0]=4 3153 B12R1.125 CC(=O)C=Cc1ccccc1Cl TS48001 [0,0,0,0,0,2|2,0,0]=4 3154 B12R1.125 CC(=O)NCc1ccccc1Br TS24458 [0,0,0,0,0,2|2,0,0]=4 3155 B12R1.125 Cc1ccccc1C=CC(=O)Cl TS14696 [0,0,0,0,0,2|2,0,0]=4 3156 B12R1.125 Cc1ccccc1C=CC(=O)O TS42443 [0,0,0,0,0,2|1,0,0]=3 3157 B12R1.125 Cc1ccccc1CCC(=O)O TS11858 [0,0,0,0,0,2|1,0,0]=3 3158 B12R1.125 Cc1ccccc1COC(=O)C TS42751 [0,0,0,0,0,2|2,0,0]=4 3159 B12R1.125 c1ccc(c(c1)C=CC(=O)Cl)Cl TS38031 [0,0,0,0,0,2|2,0,0]=4 3160 B12R1.125 c1ccc(c(c1)C=CC(=O)O)Cl TS48349 [0,0,0,0,0,2|1,0,0]=3 3161 B12R1.125 c1ccc(c(c1)C=CC(=O)O)F TS01025 [0,0,0,0,0,2|1,0,0]=3 3162 B12R1.125 c1ccc(c(c1)C=CC(=O)O)O TS42702 [0,0,0,0,0,2|0,0,0]=2 3163 B12R1.125 c1ccc(c(c1)CCC(=O)N)O TS42899 [0,0,0,0,0,2|1,0,0]=3 3164 B12R1.125 c1ccc(c(c1)CCC(=O)O)Br TS65670 [0,0,0,0,0,2|1,0,0]=3 3165 B12R1.125 c1ccc(c(c1)CCC(=O)O)Cl TS15380 [0,0,0,0,0,2|1,0,0]=3 3166 B12R1.125 c1ccc(c(c1)CCC(=O)O)F TS00179 [0,0,0,0,0,2|1,0,0]=3 3167 B12R1.125 c1ccc(c(c1)CCC(=O)O)I TS31068 [0,0,0,0,0,2|1,0,0]=3 3168 B12R1.125 c1ccc(c(c1)CCC(=O)O)O TS43049 [0,0,0,0,0,2|0,0,0]=2 3169 B12R1.125 c1ccc(c(c1)COC(=O)Cl)Cl TS19899 [0,0,0,0,0,2|2,0,0]=4 3170 B12R1.125 c1ccc(c(c1)F)SCC(=O)O TS15592 [0,0,0,0,0,2|1,0,0]=3 3171 B12R1.125 c1ccc(c(c1)NCC(=O)O)Cl TS93284 [0,0,0,0,0,2|1,0,0]=3 3172 B12R1.125 c1ccc(c(c1)NCC(=O)O)F TS12658 [0,0,0,0,0,2|1,0,0]=3 3173 B12R1.125 c1ccc(c(c1)NCC(=O)O)F TS12660 [0,0,0,0,0,2|1,0,0]=3 3174 B12R1.125 c1ccc(c(c1)O)OCC(=O)O TS44831 [0,0,0,0,0,2|0,0,0]=2 3175 B12R1.125 c1ccc(c(c1)OCC(=O)N)Cl TS15513 [0,0,0,0,0,2|2,0,0]=4 3176 B12R1.125 c1ccc(c(c1)OCC(=O)O)Cl TS15709 [0,0,0,0,0,2|1,0,0]=3