0 B12R1.43 C=C(Cc1ccccc1)C(=O)O TS59943 [0,0,0,0,0,0|1,0,1]=2 1 B12R1.43 C=C(Cc1ccccc1)C(=O)O TS93908 [0,0,0,0,0,0|1,0,1]=2 2 B12R1.43 CC(=Cc1ccccc1)C(=O)Cl TS48005 [0,0,0,0,0,0|2,0,2]=4 3 B12R1.43 CC(=Cc1ccccc1)C(=O)O TS42456 [0,0,0,0,0,0|1,0,2]=3 4 B12R1.43 CC(C(=O)C)Oc1ccccc1 TS11848 [0,0,0,0,0,0|3,0,0]=3 5 B12R1.43 CC(C(=O)Cl)Oc1ccccc1 TS15388 [0,0,0,0,0,0|3,0,0]=3 6 B12R1.43 CC(C(=O)O)Oc1ccccc1 TS43044 [0,0,0,0,0,0|2,0,0]=2 7 B12R1.43 C[C@@H](C(=O)O)Sc1ccccn1 TS15158 [0,0,0,0,0,0|3,0,0]=3 8 B12R1.43 C[C@H](C(=O)N)Nc1ccccc1 TS42764 [0,0,0,0,0,0|3,0,0]=3 9 B12R1.43 c1cc(cnc1)CC(C(=O)O)N TS12237 [0,0,0,0,0,0|1,0,0]=1 10 B12R1.43 c1cc(cnc1)C[C@@H](C(=O)O)N TS12231 [0,0,0,0,0,0|1,0,0]=1 11 B12R1.43 c1cc(cnc1)C[C@@H](C(=O)O)N TS38351 [0,0,0,0,0,0|1,0,0]=1 12 B12R1.43 c1ccc(cc1)C=C(C(=O)O)F TS43016 [0,0,0,0,0,0|1,0,2]=3 13 B12R1.43 c1ccc(cc1)CC(=O)C(=O)O TS42697 [0,0,0,0,0,0|1,0,1]=2 14 B12R1.43 c1ccc(cc1)CC(=O)C(=O)[O-] TS19705 [0,0,0,0,0,0|1,0,2]=3 15 B12R1.43 c1ccc(cc1)CC(=O)C(=O)[O-] TS48842 [0,0,0,0,0,0|1,0,2]=3 16 B12R1.43 c1ccc(cc1)CC(=O)C(=O)[O-] TS66652 [0,0,0,0,0,0|1,0,2]=3 17 B12R1.43 c1ccc(cc1)CC(C(=O)N)N TS38014 [0,0,0,0,0,0|1,0,0]=1 18 B12R1.43 c1ccc(cc1)CC(C(=O)O)Br TS52786 [0,0,0,0,0,0|1,0,0]=1 19 B12R1.43 c1ccc(cc1)CC(C(=O)O)N TS43080 [0,0,0,0,0,0|0,0,0]=0 20 B12R1.43 c1ccc(cc1)CC(C(=O)O)N TS55882 [0,0,0,0,0,0|0,0,0]=0 21 B12R1.43 c1ccc(cc1)CC(C(=O)O)O TS43054 [0,0,0,0,0,0|1,0,0]=1 22 B12R1.43 c1ccc(cc1)C[C@@H](C(=O)N)N TS07935 [0,0,0,0,0,0|1,0,0]=1 23 B12R1.43 c1ccc(cc1)C[C@@H](C(=O)N)N TS38013 [0,0,0,0,0,0|1,0,0]=1 24 B12R1.43 c1ccc(cc1)C[C@@H](C(=O)O)N TS01531 [0,0,0,0,0,0|0,0,0]=0 25 B12R1.43 c1ccc(cc1)C[C@@H](C(=O)O)O TS56210 [0,0,0,0,0,0|1,0,0]=1 26 B12R1.43 c1ccc(cc1)C[C@H](C(=O)N)N TS38015 [0,0,0,0,0,0|1,0,0]=1 27 B12R1.43 c1ccc(cc1)C[C@H](C(=O)N)N TS42770 [0,0,0,0,0,0|1,0,0]=1 28 B12R1.43 c1ccc(cc1)C[C@H](C(=O)O)Br TS52787 [0,0,0,0,0,0|1,0,0]=1 29 B12R1.43 c1ccc(cc1)C[C@H](C(=O)O)Cl TS15389 [0,0,0,0,0,0|1,0,0]=1 30 B12R1.43 c1ccc(cc1)C[C@H](C(=O)O)N TS08006 [0,0,0,0,0,0|0,0,0]=0 31 B12R1.43 c1ccc(cc1)C[C@H](C(=O)O)O TS12176 [0,0,0,0,0,0|1,0,0]=1 32 B12R1.43 c1ccc(cc1)NC(=N)S(=O)O TS15283 [0,0,0,0,0,0|2,0,2]=4 33 B12R1.43 c1ccnc(c1)CC(C(=O)O)N TS12233 [0,0,0,0,0,0|1,0,0]=1 34 B12R1.43 c1ccnc(c1)C[C@@H](C(=O)O)N TS22823 [0,0,0,0,0,0|1,0,0]=1 35 B12R1.43 c1ccnc(c1)C[C@H](C(=O)O)N TS43071 [0,0,0,0,0,0|1,0,0]=1 36 B12R1.43 c1cnccc1CC(C(=O)O)N TS12224 [0,0,0,0,0,0|1,0,0]=1 37 B12R1.43 c1cnccc1C[C@H](C(=O)O)N TS12232 [0,0,0,0,0,0|1,0,0]=1 38 B11R1.40 CC(=Cc1ccccc1)C=O TS07231 [1,0,0,0,0,0|1,0,2]=4 39 B11R1.40 CC(=NO)Cc1ccccc1 TS40745 [1,0,0,0,0,0|2,0,1]=4 40 B11R1.40 CC(CO)Oc1ccccc1 TS41133 [1,0,0,0,0,0|2,0,1]=4 41 B11R1.40 CC(Cc1ccccc1)C=O TS07461 [1,0,0,0,0,0|1,0,0]=2 42 B11R1.40 CC(Cc1ccccc1)NC TS07600 [1,0,0,0,0,0|3,0,0]=4 43 B11R1.40 CCC(C)Cc1ccccc1 TS40686 [1,0,0,0,0,0|2,0,1]=4 44 B11R1.40 CCC(Cc1ccccc1)O TS00513 [1,0,0,0,0,0|2,0,1]=4 45 B11R1.40 CN(Cc1ccccc1)N=O TS09887 [1,0,0,0,0,0|3,0,0]=4 46 B11R1.40 C[C@@H](Cc1ccccc1)NC TS40789 [1,0,0,0,0,0|3,0,0]=4 47 B11R1.40 C[C@H](Cc1ccccc1)NC TS40784 [1,0,0,0,0,0|3,0,0]=4 48 B11R1.40 c1ccc(cc1)C=C(C=O)Br TS21062 [1,0,0,0,0,0|1,0,2]=4 49 B11R1.40 c1ccc(cc1)C=C(C=O)Cl TS12312 [1,0,0,0,0,0|1,0,2]=4 50 B11R1.40 c1ccc(cc1)CC(=O)NO TS10040 [1,0,0,0,0,0|2,0,1]=4 51 B11R1.40 c1ccc(cc1)CC(C#N)Cl TS12109 [1,0,0,0,0,0|2,0,1]=4 52 B11R1.40 c1ccc(cc1)C[C@H](CN)N TS09945 [1,0,0,0,0,0|1,0,1]=3 53 B11R1.40 c1ccc(cc1)C[C@H](CO)N TS07919 [1,0,0,0,0,0|0,0,1]=2 54 B11R1.91 B(CCc1ccccc1)(O)O TS01640 [1,0,0,0,0,0|1,0,1]=3 55 B11R1.91 CC(=C)COc1ccccc1 TS07455 [1,0,0,0,0,0|3,0,0]=4 56 B11R1.91 CC(=C)CSc1ccccc1 TS42809 [1,0,0,0,0,0|3,0,0]=4 57 B11R1.91 CC(=C)OCc1ccccc1 TS40657 [1,0,0,0,0,0|3,0,0]=4 58 B11R1.91 CC(=O)C#Cc1ccccc1 TS39336 [1,0,0,0,0,0|1,0,2]=4 59 B11R1.91 CC(=O)C=Cc1ccccc1 TS07221 [1,0,0,0,0,0|1,0,2]=4 60 B11R1.91 CC(=O)C=Cc1ccccc1 TS93157 [1,0,0,0,0,0|1,0,2]=4 61 B11R1.91 CC(=O)CCc1ccccc1 TS40645 [1,0,0,0,0,0|1,0,0]=2 62 B11R1.91 CC(=O)COc1ccccc1 TS40853 [1,0,0,0,0,0|2,0,0]=3 63 B11R1.91 CC(=O)CSc1ccccc1 TS12279 [1,0,0,0,0,0|2,0,0]=3 64 B11R1.91 CC(=O)NCc1ccccc1 TS07571 [1,0,0,0,0,0|2,0,0]=3 65 B11R1.91 CC(=O)NCc1cccnc1 TS40869 [1,0,0,0,0,0|3,0,0]=4 66 B11R1.91 CC(=O)NNc1ccccc1 TS09877 [1,0,0,0,0,0|3,0,0]=4 67 B11R1.91 CC(=O)OCc1ccccc1 TS09872 [1,0,0,0,0,0|2,0,0]=3 68 B11R1.91 CC(=O)OCc1ccccn1 TS41002 [1,0,0,0,0,0|3,0,0]=4 69 B11R1.91 CC(=O)OCc1ccncc1 TS40990 [1,0,0,0,0,0|3,0,0]=4 70 B11R1.91 CC(=O)O[Hg]c1ccccc1 TS64055 [1,0,0,0,0,0|3,0,0]=4 71 B11R1.91 CC(=O)SSc1ccccc1 TS74797 [1,0,0,0,0,0|3,0,0]=4 72 B11R1.91 CC(C)CCc1ccccc1 TS40689 [1,0,0,0,0,0|2,0,1]=4 73 B11R1.91 CC(CCc1ccccc1)N TS40782 [1,0,0,0,0,0|2,0,1]=4 74 B11R1.91 CC(CCc1ccccc1)O TS09764 [1,0,0,0,0,0|1,0,1]=3 75 B11R1.91 CN(C)CCc1ccccc1 TS01931 [1,0,0,0,0,0|3,0,0]=4 76 B11R1.91 C[C@@H](CCc1ccccc1)N TS40777 [1,0,0,0,0,0|2,0,1]=4 77 B11R1.91 C[C@H](CCc1ccccc1)N TS22961 [1,0,0,0,0,0|2,0,1]=4 78 B11R1.91 C[SiH](C)CCc1ccccc1 TS42818 [1,0,0,0,0,0|2,1,0]=4 79 B11R1.91 c1cc(cnc1)C=CC(=O)O TS40727 [1,0,0,0,0,0|1,0,2]=4 80 B11R1.91 c1cc(cnc1)CCC(=O)O TS09416 [1,0,0,0,0,0|1,0,0]=2 81 B11R1.91 c1ccc(cc1)C#CC(=O)O TS07173 [1,0,0,0,0,0|0,0,2]=3 82 B11R1.91 c1ccc(cc1)C=CC(=O)Cl TS12314 [1,0,0,0,0,0|1,0,2]=4 83 B11R1.91 c1ccc(cc1)C=CC(=O)N TS55818 [1,0,0,0,0,0|1,0,2]=4 84 B11R1.91 c1ccc(cc1)C=CC(=O)O TS07414 [1,0,0,0,0,0|0,0,2]=3 85 B11R1.91 c1ccc(cc1)C=CC(=O)[O-] TS45091 [1,0,0,0,0,0|0,0,3]=4 86 B11R1.91 c1ccc(cc1)C=CC(=O)[O-] TS48924 [1,0,0,0,0,0|0,0,3]=4 87 B11R1.91 c1ccc(cc1)CCC(=O)Cl TS02876 [1,0,0,0,0,0|1,0,0]=2 88 B11R1.91 c1ccc(cc1)CCC(=O)N TS40758 [1,0,0,0,0,0|1,0,0]=2 89 B11R1.91 c1ccc(cc1)CCC(=O)O TS33063 [1,0,0,0,0,0|0,0,0]=1 90 B11R1.91 c1ccc(cc1)CCN(=O)=O TS10013 [1,0,0,0,0,0|1,0,1]=3 91 B11R1.91 c1ccc(cc1)CNC(=N)N TS80918 [1,0,0,0,0,0|3,0,0]=4 92 B11R1.91 c1ccc(cc1)CNC(=O)N TS40871 [1,0,0,0,0,0|2,0,0]=3 93 B11R1.91 c1ccc(cc1)CNC(=S)N TS12281 [1,0,0,0,0,0|2,1,0]=4 94 B11R1.91 c1ccc(cc1)COC(=O)Cl TS01383 [1,0,0,0,0,0|2,0,0]=3 95 B11R1.91 c1ccc(cc1)COC(=O)N TS01381 [1,0,0,0,0,0|2,0,0]=3 96 B11R1.91 c1ccc(cc1)CSC(=N)N TS19496 [1,0,0,0,0,0|3,0,0]=4 97 B11R1.91 c1ccc(cc1)NCC(=O)O TS10023 [1,0,0,0,0,0|1,0,0]=2 98 B11R1.91 c1ccc(cc1)NCC(=O)[O-] TS50941 [1,0,0,0,0,0|1,0,1]=3 99 B11R1.91 c1ccc(cc1)NNC(=O)N TS41021 [1,0,0,0,0,0|3,0,0]=4 100 B11R1.91 c1ccc(cc1)OCC(=N)N TS15733 [1,0,0,0,0,0|3,0,0]=4 101 B11R1.91 c1ccc(cc1)OCC(=O)Cl TS12910 [1,0,0,0,0,0|2,0,0]=3 102 B11R1.91 c1ccc(cc1)OCC(=O)N TS40989 [1,0,0,0,0,0|2,0,0]=3 103 B11R1.91 c1ccc(cc1)OCC(=O)O TS10139 [1,0,0,0,0,0|1,0,0]=2 104 B11R1.91 c1ccc(cc1)OCC(=O)O TS32941 [1,0,0,0,0,0|1,0,0]=2 105 B11R1.91 c1ccc(cc1)OCC(=O)[O-] TS13444 [1,0,0,0,0,0|1,0,1]=3 106 B11R1.91 c1ccc(cc1)OCC(=O)[O-] TS51409 [1,0,0,0,0,0|1,0,1]=3 107 B11R1.91 c1ccc(cc1)OCC(=O)[O-] TS63445 [1,0,0,0,0,0|1,0,1]=3 108 B11R1.91 c1ccc(cc1)OCC(=S)N TS12410 [1,0,0,0,0,0|2,1,0]=4 109 B11R1.91 c1ccc(cc1)SCC(=N)N TS19495 [1,0,0,0,0,0|3,0,0]=4 110 B11R1.91 c1ccc(cc1)SCC(=S)N TS15170 [1,0,0,0,0,0|2,1,0]=4 111 B11R1.91 c1ccnc(c1)C=CC(=O)O TS07541 [1,0,0,0,0,0|1,0,2]=4 112 B11R1.91 c1ccnc(c1)CCC(=O)O TS40994 [1,0,0,0,0,0|1,0,0]=2 113 B11R1.91 c1cnc(nc1)SCC(=O)O TS45124 [1,0,0,0,0,0|3,0,0]=4 114 B11R1.91 c1cnccc1C=CC(=O)O TS65059 [1,0,0,0,0,0|1,0,2]=4 115 B11R1.91 c1cnccc1SCC(=O)Cl TS23781 [1,0,0,0,0,0|3,0,0]=4 116 B11R1.91 c1cnccc1SCC(=O)O TS46555 [1,0,0,0,0,0|2,0,0]=3 117 B13R1.133 CC(C(=O)O)Oc1ccc(cc1)Cl TS19110 [0,1,0,0,0,0|2,0,0]=3 118 B13R1.133 CC(C(=O)O)Oc1ccc(cc1)O TS48223 [0,1,0,0,0,0|2,0,0]=3 119 B13R1.133 CC(C(=O)O)Sc1ccc(cc1)Cl TS49194 [0,1,0,0,0,0|2,0,0]=3 120 B13R1.133 CC(Cc1ccc(cc1)F)N(=O)=O TS48421 [0,1,0,0,0,0|2,0,1]=4 121 B13R1.133 C[C@H](C(=O)O)Oc1ccc(cc1)O TS59386 [0,1,0,0,0,0|2,0,0]=3 122 B13R1.133 Cc1ccc(cc1)CC(C(=O)O)N TS00727 [0,1,0,0,0,0|0,0,0]=1 123 B13R1.133 c1cc(ccc1C=C(C(=O)O)S)I TS75881 [0,1,0,0,0,0|1,0,2]=4 124 B13R1.133 c1cc(ccc1CC(=O)C(=O)O)Br TS39695 [0,1,0,0,0,0|1,0,1]=3 125 B13R1.133 c1cc(ccc1CC(=O)C(=O)O)Cl TS18730 [0,1,0,0,0,0|1,0,1]=3 126 B13R1.133 c1cc(ccc1CC(=O)C(=O)O)O TS03132 [0,1,0,0,0,0|1,0,1]=3 127 B13R1.133 c1cc(ccc1CC(C(=O)O)N)Br TS61956 [0,1,0,0,0,0|0,0,0]=1 128 B13R1.133 c1cc(ccc1CC(C(=O)O)N)Cl TS37793 [0,1,0,0,0,0|0,0,0]=1 129 B13R1.133 c1cc(ccc1CC(C(=O)O)N)F TS48417 [0,1,0,0,0,0|0,0,0]=1 130 B13R1.133 c1cc(ccc1CC(C(=O)O)N)N TS47938 [0,1,0,0,0,0|0,0,0]=1 131 B13R1.133 c1cc(ccc1CC(C(=O)O)N)O TS14760 [0,1,0,0,0,0|0,0,0]=1 132 B13R1.133 c1cc(ccc1C[C@@H](C(=O)N)N)O TS47936 [0,1,0,0,0,0|1,0,0]=2 133 B13R1.133 c1cc(ccc1C[C@@H](C(=O)O)N)Cl TS37790 [0,1,0,0,0,0|0,0,0]=1 134 B13R1.133 c1cc(ccc1C[C@@H](C(=O)O)N)F TS49679 [0,1,0,0,0,0|0,0,0]=1 135 B13R1.133 c1cc(ccc1C[C@@H](C(=O)O)N)N TS18621 [0,1,0,0,0,0|0,0,0]=1 136 B13R1.133 c1cc(ccc1C[C@@H](C(=O)O)N)N TS49189 [0,1,0,0,0,0|0,0,0]=1 137 B13R1.133 c1cc(ccc1C[C@@H](C(=O)O)N)O TS14777 [0,1,0,0,0,0|0,0,0]=1 138 B13R1.133 c1cc(ccc1C[C@@H](C(=O)O)N)O TS49331 [0,1,0,0,0,0|0,0,0]=1 139 B13R1.133 c1cc(ccc1C[C@@H](C(=O)O)O)O TS14922 [0,1,0,0,0,0|1,0,0]=2 140 B13R1.133 c1cc(ccc1C[C@H](C(=O)O)N)F TS49680 [0,1,0,0,0,0|0,0,0]=1 141 B13R1.133 c1cc(ccc1C[C@H](C(=O)O)N)O TS48065 [0,1,0,0,0,0|0,0,0]=1 142 B13R1.133 c1cc(ccc1N)NC(=O)C(=O)O TS47862 [0,1,0,0,0,0|2,0,1]=4 143 B13R1.135 COC(=O)C(=C)Cc1ccccc1 TS46105 [0,1,0,0,0,0|1,0,1]=3 144 B13R1.135 COC(=O)C(Cc1ccccc1)N TS44744 [0,1,0,0,0,0|0,0,0]=1 145 B13R1.135 COC(=O)C(Cc1ccccc1)O TS14600 [0,1,0,0,0,0|1,0,0]=2 146 B13R1.135 COC(=O)[C@@H](Cc1ccccc1)N TS44743 [0,1,0,0,0,0|0,0,0]=1 147 B13R1.135 COC(=O)[C@@H](Cc1cccnc1)N TS28433 [0,1,0,0,0,0|1,0,0]=2 148 B13R1.135 COC(=O)[C@H](Cc1ccccc1)N TS21934 [0,1,0,0,0,0|0,0,0]=1 149 B13R1.135 COC(=O)[C@H](Cc1ccccc1)O TS47920 [0,1,0,0,0,0|1,0,0]=2 150 B13R1.135 c1ccc(cc1)CC(C(=NO)O)N TS47937 [0,1,0,0,0,0|0,0,1]=2 151 B13R1.135 c1ccc(cc1)C[C@@H](C(=O)CCl)N TS56421 [0,1,0,0,0,0|1,0,0]=2 152 B13R1.135 c1ccc(cc1)C[C@@H](C(=O)NN)N TS47760 [0,1,0,0,0,0|1,0,0]=2 153 B13R1.148 CC(C(=O)O)Oc1cccc(c1)Cl TS38005 [0,1,0,0,0,0|2,0,0]=3 154 B13R1.148 Cc1cccc(c1)CC(C(=O)O)N TS14426 [0,1,0,0,0,0|0,0,0]=1 155 B13R1.148 Cc1cccc(c1)C[C@@H](C(=O)O)N TS64911 [0,1,0,0,0,0|0,0,0]=1 156 B13R1.148 Cc1cccc(c1)N[C@H](C)C(=O)O TS47723 [0,1,0,0,0,0|2,0,0]=3 157 B13R1.148 c1cc(cc(c1)Br)CC(C(=O)O)N TS27101 [0,1,0,0,0,0|0,0,0]=1 158 B13R1.148 c1cc(cc(c1)Br)C[C@@H](C(=O)O)N TS27094 [0,1,0,0,0,0|0,0,0]=1 159 B13R1.148 c1cc(cc(c1)Br)C[C@H](C(=O)O)N TS61965 [0,1,0,0,0,0|0,0,0]=1 160 B13R1.148 c1cc(cc(c1)Cl)C[C@@H](C(=O)O)N TS37808 [0,1,0,0,0,0|0,0,0]=1 161 B13R1.148 c1cc(cc(c1)Cl)C[C@H](C(=O)O)N TS18893 [0,1,0,0,0,0|0,0,0]=1 162 B13R1.148 c1cc(cc(c1)F)CC(C(=O)O)N TS15119 [0,1,0,0,0,0|0,0,0]=1 163 B13R1.148 c1cc(cc(c1)F)C[C@@H](C(=O)O)N TS48415 [0,1,0,0,0,0|0,0,0]=1 164 B13R1.148 c1cc(cc(c1)F)C[C@H](C(=O)O)N TS48409 [0,1,0,0,0,0|0,0,0]=1 165 B13R1.148 c1cc(cc(c1)I)CC(C(=O)O)N TS58148 [0,1,0,0,0,0|0,0,0]=1 166 B13R1.148 c1cc(cc(c1)O)CC(C(=O)O)N TS14776 [0,1,0,0,0,0|0,0,0]=1 167 B13R1.148 c1cc(cc(c1)O)C[C@@H](C(=O)O)N TS48066 [0,1,0,0,0,0|0,0,0]=1 168 B13R1.148 c1cc(cc(c1)O)C[C@H](C(=O)O)N TS48095 [0,1,0,0,0,0|0,0,0]=1 169 B13R1.152 CC(=O)C(C(c1ccccc1)Br)Br TS60548 [0,1,0,0,0,0|2,0,0]=3 170 B13R1.152 CC(c1ccccc1)C(C(=O)O)N TS14395 [0,1,0,0,0,0|0,0,0]=1 171 B13R1.152 CC(c1ccccc1)C(C(=O)O)N TS59683 [0,1,0,0,0,0|0,0,0]=1 172 B13R1.152 c1ccc(cc1)C(=C(C(=O)O)Br)Br TS60541 [0,1,0,0,0,0|1,0,2]=4 173 B13R1.152 c1ccc(cc1)C(=S)C(C(=O)O)S TS21362 [0,1,0,0,0,0|1,0,1]=3 174 B13R1.152 c1ccc(cc1)C(C(C(=O)O)Br)Br TS60692 [0,1,0,0,0,0|1,0,0]=2 175 B13R1.152 c1ccc(cc1)C(C(C(=O)O)N)O TS48064 [0,1,0,0,0,0|0,0,0]=1 176 B13R1.152 c1ccc(cc1)[C@@H]([C@@H](C(=O)O)N)O TS48081 [0,1,0,0,0,0|0,0,0]=1 177 B13R1.152 c1ccc(cc1)[C@@H]([C@H](C(=O)O)N)O TS48091 [0,1,0,0,0,0|0,0,0]=1 178 B13R1.152 c1ccc(cc1)[C@@H]([C@H](C(=O)O)O)N TS14756 [0,1,0,0,0,0|1,0,0]=2 179 B13R1.152 c1ccc(cc1)[C@@H]([C@H](C(=O)O)O)N TS59848 [0,1,0,0,0,0|1,0,0]=2 180 B13R1.152 c1ccc(cc1)[C@H]([C@@H](C(=O)O)N)O TS14769 [0,1,0,0,0,0|0,0,0]=1 181 B13R1.202 CC(C(=O)O)Oc1ccccc1Cl TS19102 [0,1,0,0,0,0|2,0,0]=3 182 B13R1.202 Cc1ccccc1NC(C)C(=O)O TS14431 [0,1,0,0,0,0|2,0,0]=3 183 B13R1.202 Cc1ccccc1N[C@@H](C)C(=O)O TS14406 [0,1,0,0,0,0|2,0,0]=3 184 B13R1.202 Cc1ccccc1OC(C)C(=O)O TS47911 [0,1,0,0,0,0|2,0,0]=3 185 B13R1.202 c1ccc(c(c1)CC(C(=O)O)N)Br TS61964 [0,1,0,0,0,0|0,0,0]=1 186 B13R1.202 c1ccc(c(c1)CC(C(=O)O)N)Cl TS18888 [0,1,0,0,0,0|0,0,0]=1 187 B13R1.202 c1ccc(c(c1)CC(C(=O)O)N)F TS48413 [0,1,0,0,0,0|0,0,0]=1 188 B13R1.202 c1ccc(c(c1)CC(C(=O)O)N)O TS14773 [0,1,0,0,0,0|0,0,0]=1 189 B13R1.202 c1ccc(c(c1)C[C@@H](C(=O)O)N)Br TS61950 [0,1,0,0,0,0|0,0,0]=1 190 B13R1.202 c1ccc(c(c1)C[C@@H](C(=O)O)N)F TS48416 [0,1,0,0,0,0|0,0,0]=1 191 B13R1.202 c1ccc(c(c1)C[C@@H](C(=O)O)N)I TS58147 [0,1,0,0,0,0|0,0,0]=1 192 B13R1.202 c1ccc(c(c1)C[C@@H](C(=O)O)N)O TS48077 [0,1,0,0,0,0|0,0,0]=1 193 B13R1.202 c1ccc(c(c1)C[C@H](C(=O)O)N)Br TS27103 [0,1,0,0,0,0|0,0,0]=1 194 B13R1.202 c1ccc(c(c1)C[C@H](C(=O)O)N)F TS65252 [0,1,0,0,0,0|0,0,0]=1 195 B13R1.353 c1ccc(cc1)CC(C(F)(F)F)N TS50891 [0,1,0,0,0,0|2,0,1]=4 196 B13R1.418 C=CN(Cc1ccccc1)C(=O)[O-] TS46273 [0,1,0,0,0,0|2,0,1]=4 197 B13R1.418 CCC(C(=O)O)Oc1ccccc1 TS47909 [0,1,0,0,0,0|2,0,0]=3 198 B13R1.418 CN[C@@H](Cc1ccccc1)C(=O)O TS01607 [0,1,0,0,0,0|0,0,0]=1 199 B13R1.418 CN[C@@H](Cc1ccccc1)C(=O)O TS21931 [0,1,0,0,0,0|0,0,0]=1 200 B13R1.418 c1ccc(cc1)C=C(C#N)C(=O)O TS13308 [0,1,0,0,0,0|0,0,3]=4 201 B13R1.1073 CC(C)(C(=O)O)Oc1ccccc1 TS14602 [0,1,0,0,0,0|2,0,0]=3 202 B13R1.1073 CC(Cc1ccccc1)(C(=O)O)N TS47742 [0,1,0,0,0,0|0,0,0]=1 203 B13R1.1073 C[C@@](Cc1ccccc1)(C(=O)O)O TS47921 [0,1,0,0,0,0|1,0,0]=2 204 B13R1.1073 C[C@](Cc1ccccc1)(C(=O)O)N TS47730 [0,1,0,0,0,0|0,0,0]=1 205 B13R1.1073 C[C@](Cc1ccccc1)(C(=O)O)O TS14587 [0,1,0,0,0,0|1,0,0]=2 206 B13R2.369 CC1C(=O)Nc2ccccc2N1 TS32792 [0,0,0,1,0,0|3,0,0]=4 207 B13R2.369 CC1C(=O)Nc2ccccc2O1 TS42576 [0,0,0,1,0,0|3,0,0]=4 208 B13R2.369 CN1Cc2ccccc2NC1=O TS42461 [0,0,0,1,0,0|3,0,0]=4 209 B13R2.369 Cc1cc2ccccc2oc1=O TS42144 [0,0,0,1,0,0|1,0,2]=4 210 B13R2.369 c1ccc2c(c1)CC(C(=O)N2)N TS94449 [0,0,0,1,0,0|1,0,0]=2 211 B13R2.369 c1ccc2c(c1)[nH]c(=O)c(n2)N TS91753 [0,0,0,1,0,0|2,0,1]=4 212 B13R2.369 c1ccc2c(c1)cc(c(=O)o2)Cl TS47997 [0,0,0,1,0,0|1,0,2]=4 213 B13R2.369 c1ccc2c(c1)cc(c(=O)o2)N TS93636 [0,0,0,1,0,0|0,0,2]=3 214 B13R2.369 c1ccc2c(c1)cc(c(=O)o2)O TS11498 [0,0,0,1,0,0|1,0,2]=4 215 B13R2.369 c1ccc2c(c1)nc(c(=O)o2)O TS42536 [0,0,0,1,0,0|2,0,1]=4 216 B13R2.369 c1ccc2cc(c(cc2c1)N)O TS11150 [0,0,0,1,0,0|1,0,2]=4 217 B13R2.369 c1cncc2c1NC(=O)C(C2)N TS94448 [0,0,0,1,0,0|2,0,0]=3 218 B13R2.373 c1ccc(cc1)[C@H]2[C@H](C(=O)N2)O TS42560 [0,0,0,1,0,0|2,0,0]=3 219 B13R2.423 c1ccc(cc1)[C@@H]2C[C@H]2C(=O)Cl TS48004 [0,0,0,1,0,0|2,0,0]=3 220 B13R2.423 c1ccc(cc1)[C@@H]2C[C@H]2C(=O)O TS85468 [0,0,0,1,0,0|1,0,0]=2 221 B13R2.435 CC(=O)c1[nH]c2ccccc2n1 TS11248 [0,0,0,1,0,0|2,0,1]=4 222 B13R2.435 c1cc2c(cc([nH]2)C(=O)O)nc1 TS11510 [0,0,0,1,0,0|1,0,2]=4 223 B13R2.435 c1cc2cc([nH]c2nc1)C(=O)O TS90332 [0,0,0,1,0,0|1,0,2]=4 224 B13R2.435 c1ccc2c(c1)CC(C2)C(=O)O TS42457 [0,0,0,1,0,0|1,0,0]=2 225 B13R2.435 c1ccc2c(c1)CC(N2)C(=O)O TS46628 [0,0,0,1,0,0|0,0,0]=1 226 B13R2.435 c1ccc2c(c1)CC(O2)C(=O)O TS00574 [0,0,0,1,0,0|1,0,0]=2 227 B13R2.435 c1ccc2c(c1)[nH]c(n2)C(=O)Cl TS60211 [0,0,0,1,0,0|2,0,1]=4 228 B13R2.435 c1ccc2c(c1)[nH]c(n2)C(=O)O TS11516 [0,0,0,1,0,0|1,0,1]=3 229 B13R2.435 c1ccc2c(c1)cc([nH]2)C(=O)N TS39227 [0,0,0,1,0,0|1,0,2]=4 230 B13R2.435 c1ccc2c(c1)cc([nH]2)C(=O)O TS01488 [0,0,0,1,0,0|0,0,2]=3 231 B13R2.435 c1ccc2c(c1)cc(o2)C(=O)O TS55759 [0,0,0,1,0,0|1,0,2]=4 232 B13R2.435 c1ccc2c(c1)cc(s2)C(=O)O TS55753 [0,0,0,1,0,0|1,0,2]=4 233 B13R2.435 c1ccc2c(c1)nc(o2)C(=O)O TS42537 [0,0,0,1,0,0|1,0,2]=4 234 B13R2.435 c1ccc2c(c1)nc(s2)C(=O)O TS47709 [0,0,0,1,0,0|1,0,2]=4 235 B13R2.435 c1cncc2c1[nH]c(c2)C(=O)O TS42407 [0,0,0,1,0,0|1,0,2]=4 236 B13R2.435 c1cncc2c1cc([nH]2)C(=O)O TS42417 [0,0,0,1,0,0|1,0,2]=4 237 B11R1.35 C1CC=C(C1)CC(C(=O)O)N TS10586 [0,0,0,0,1,0|0,0,3]=4 238 B11R1.35 c1c([nH]cn1)CC(C(=O)O)Br TS22526 [0,0,0,0,1,0|3,0,0]=4 239 B11R1.35 c1c(nc[nH]1)C[C@@H](C(=O)N)N TS52460 [0,0,0,0,1,0|3,0,0]=4 240 B11R1.35 c1c(nc[nH]1)C[C@@H](C(=O)O)N TS74516 [0,0,0,0,1,0|2,0,0]=3 241 B11R1.35 c1c(nc[nH]1)C[C@@H](C(=O)O)O TS41586 [0,0,0,0,1,0|3,0,0]=4 242 B11R1.35 c1c(nc[nH]1)C[C@H](C(=O)O)N TS10578 [0,0,0,0,1,0|2,0,0]=3 243 B11R1.35 c1c(ncs1)CC(C(=O)O)N TS45465 [0,0,0,0,1,0|2,0,0]=3 244 B11R1.35 c1c(ncs1)C[C@@H](C(=O)O)N TS45469 [0,0,0,0,1,0|2,0,0]=3 245 B11R1.35 c1c(ncs1)C[C@H](C(=O)O)N TS45467 [0,0,0,0,1,0|2,0,0]=3 246 B11R1.35 c1c[nH]cc1CC(C(=O)O)N TS10431 [0,0,0,0,1,0|1,0,0]=2 247 B11R1.35 c1cc([nH]c1)CC(C(=O)O)N TS10421 [0,0,0,0,1,0|1,0,0]=2 248 B11R1.35 c1cc(oc1)CC(C(=O)O)N TS41492 [0,0,0,0,1,0|1,0,0]=2 249 B11R1.35 c1cc(oc1)C[C@@H](C(=O)O)N TS10563 [0,0,0,0,1,0|1,0,0]=2 250 B11R1.35 c1cc(oc1)C[C@H](C(=O)O)N TS41502 [0,0,0,0,1,0|1,0,0]=2 251 B11R1.35 c1cc(sc1)CC(C(=O)O)N TS13010 [0,0,0,0,1,0|1,0,0]=2 252 B11R1.35 c1cc(sc1)C[C@@H](C(=O)O)N TS13019 [0,0,0,0,1,0|1,0,0]=2 253 B11R1.35 c1cc(sc1)C[C@H](C(=O)O)N TS65678 [0,0,0,0,1,0|1,0,0]=2 254 B11R1.35 c1cnn(c1)C[C@@H](C(=O)O)N TS10577 [0,0,0,0,1,0|2,0,0]=3 255 B11R1.35 c1cocc1CC(C(=O)O)N TS41505 [0,0,0,0,1,0|1,0,0]=2 256 B11R1.35 c1cocc1C[C@H](C(=O)O)N TS10561 [0,0,0,0,1,0|1,0,0]=2 257 B11R1.35 c1csc(n1)CC(C(=O)O)N TS13167 [0,0,0,0,1,0|2,0,0]=3 258 B11R1.35 c1cscc1CC(C(=O)O)N TS13020 [0,0,0,0,1,0|1,0,0]=2 259 B11R1.35 c1cscc1C[C@@H](C(=O)O)N TS13012 [0,0,0,0,1,0|1,0,0]=2 260 B11R1.35 c1cscc1C[C@H](C(=O)O)N TS13009 [0,0,0,0,1,0|1,0,0]=2 261 B11R1.36 C1C=CCC(=C1)[C@H](C(=O)O)N TS41281 [0,0,0,0,1,0|0,0,2]=3 262 B11R1.36 C=C(c1ccccc1)C(=O)O TS59983 [0,0,0,0,1,0|1,0,1]=3 263 B11R1.36 CC(=C)C(c1ccccc1)O TS07470 [0,0,0,0,1,0|3,0,0]=4 264 B11R1.36 CC(=O)C(=O)c1ccccc1 TS00506 [0,0,0,0,1,0|2,0,1]=4 265 B11R1.36 CC(=O)C(c1ccccc1)Br TS60203 [0,0,0,0,1,0|2,0,0]=3 266 B11R1.36 CC(=O)C(c1ccccc1)N TS46844 [0,0,0,0,1,0|1,0,0]=2 267 B11R1.36 CC(C)C(c1ccccc1)N TS40783 [0,0,0,0,1,0|2,0,1]=4 268 B11R1.36 CC(c1ccccc1)C(=O)O TS65642 [0,0,0,0,1,0|1,0,0]=2 269 B11R1.36 CN(c1ccccc1)C(=O)Cl TS12717 [0,0,0,0,1,0|3,0,0]=4 270 B11R1.36 C[C@@H](c1ccccc1)C(=O)O TS22970 [0,0,0,0,1,0|1,0,0]=2 271 B11R1.36 C[C@H](c1ccccc1)C(=O)O TS22963 [0,0,0,0,1,0|1,0,0]=2 272 B11R1.36 c1cc(cnc1)C(C(=O)O)N TS10156 [0,0,0,0,1,0|1,0,0]=2 273 B11R1.36 c1ccc(cc1)C(=O)C(=O)O TS07652 [0,0,0,0,1,0|1,0,1]=3 274 B11R1.36 c1ccc(cc1)C(C(=O)Cl)Cl TS50847 [0,0,0,0,1,0|2,0,0]=3 275 B11R1.36 c1ccc(cc1)C(C(=O)N)N TS32776 [0,0,0,0,1,0|1,0,0]=2 276 B11R1.36 c1ccc(cc1)C(C(=O)N)O TS10014 [0,0,0,0,1,0|2,0,0]=3 277 B11R1.36 c1ccc(cc1)C(C(=O)O)Br TS40041 [0,0,0,0,1,0|1,0,0]=2 278 B11R1.36 c1ccc(cc1)C(C(=O)O)Cl TS12921 [0,0,0,0,1,0|1,0,0]=2 279 B11R1.36 c1ccc(cc1)C(C(=O)O)F TS41345 [0,0,0,0,1,0|1,0,0]=2 280 B11R1.36 c1ccc(cc1)C(C(=O)O)O TS10137 [0,0,0,0,1,0|1,0,0]=2 281 B11R1.36 c1ccc(cc1)C(C(=O)O)O TS10144 [0,0,0,0,1,0|1,0,0]=2 282 B11R1.36 c1ccc(cc1)C(C(=O)O)O TS35517 [0,0,0,0,1,0|1,0,0]=2 283 B11R1.36 c1ccc(cc1)[C@@H](C(=O)O)Br TS44638 [0,0,0,0,1,0|1,0,0]=2 284 B11R1.36 c1ccc(cc1)[C@@H](C(=O)O)N TS01533 [0,0,0,0,1,0|0,0,0]=1 285 B11R1.36 c1ccc(cc1)[C@@H](C(=O)O)O TS46637 [0,0,0,0,1,0|1,0,0]=2 286 B11R1.36 c1ccc(cc1)[C@H](C(=O)Cl)N TS20096 [0,0,0,0,1,0|1,0,0]=2 287 B11R1.36 c1ccc(cc1)[C@H](C(=O)N)N TS01409 [0,0,0,0,1,0|1,0,0]=2 288 B11R1.36 c1ccc(cc1)[C@H](C(=O)O)N TS33222 [0,0,0,0,1,0|0,0,0]=1 289 B11R1.36 c1ccc(cc1)[C@H](C(=O)O)O TS93945 [0,0,0,0,1,0|1,0,0]=2 290 B11R1.36 c1ccnc(c1)C(C(=O)O)N TS41120 [0,0,0,0,1,0|1,0,0]=2 291 B11R1.36 c1cnccc1C(C(=O)O)N TS41126 [0,0,0,0,1,0|1,0,0]=2 292 B13R1.348 CC(=O)CC(=O)Cc1ccccc1 TS13848 [0,0,0,0,0,1|2,0,1]=4 293 B13R1.348 CC(Cc1ccccc1)OC(=O)C TS47556 [0,0,0,0,0,1|2,0,0]=3 294 B13R1.348 c1cc(cnc1)C[C@@H](CC(=O)O)N TS28435 [0,0,0,0,0,1|1,0,0]=2 295 B13R1.348 c1cc(cnc1)C[C@H](CC(=O)O)N TS28437 [0,0,0,0,0,1|1,0,0]=2 296 B13R1.348 c1ccc(cc1)CC(=O)NC(=O)N TS47532 [0,0,0,0,0,1|2,0,1]=4 297 B13R1.348 c1ccc(cc1)C[C@@H](CC(=O)O)N TS21944 [0,0,0,0,0,1|0,0,0]=1 298 B13R1.348 c1ccc(cc1)C[C@H](CC(=O)O)N TS08080 [0,0,0,0,0,1|0,0,0]=1 299 B13R1.348 c1ccc(cc1)NC(=O)CC(=O)O TS14374 [0,0,0,0,0,1|2,0,1]=4 300 B13R1.348 c1cnccc1C[C@@H](CC(=O)O)N TS28436 [0,0,0,0,0,1|1,0,0]=2 301 B13R1.348 c1cnccc1C[C@H](CC(=O)O)N TS28434 [0,0,0,0,0,1|1,0,0]=2 302 B13R1.351 c1ccc(cc1)CCC(=O)C(=O)O TS47515 [0,0,0,0,0,1|1,0,1]=3 303 B13R1.351 c1ccc(cc1)CCC(C(=O)O)N TS14422 [0,0,0,0,0,1|0,0,0]=1 304 B13R1.351 c1ccc(cc1)CC[C@@H](C(=O)O)N TS94379 [0,0,0,0,0,1|0,0,0]=1 305 B13R1.351 c1ccc(cc1)CC[C@@H](C(=O)O)O TS08123 [0,0,0,0,0,1|1,0,0]=2 306 B13R1.351 c1ccc(cc1)CC[C@H](C(=O)O)O TS08071 [0,0,0,0,0,1|1,0,0]=2 307 B13R1.351 c1ccc(cc1)SC[C@@H](C(=O)O)N TS18477 [0,0,0,0,0,1|0,0,0]=1 308 B10R1.17 C#CCCc1ccccc1 TS36511 [2,0,0,0,0,0|1,0,1]=4 309 B10R1.17 C=CCCc1ccccc1 TS36707 [2,0,0,0,0,0|1,0,0]=3 310 B10R1.17 C=CCCc1ccncc1 TS36777 [2,0,0,0,0,0|2,0,0]=4 311 B10R1.17 C=CCNc1ccccc1 TS05848 [2,0,0,0,0,0|2,0,0]=4 312 B10R1.17 C=CCOc1ccccc1 TS36847 [2,0,0,0,0,0|2,0,0]=4 313 B10R1.17 C=CCSc1ccccc1 TS40921 [2,0,0,0,0,0|2,0,0]=4 314 B10R1.17 CC=CCc1ccccc1 TS36709 [2,0,0,0,0,0|1,0,1]=4 315 B10R1.17 CCCCc1ccccc1 TS36870 [2,0,0,0,0,0|1,0,1]=4 316 B10R1.17 CNCCc1ccccc1 TS01606 [2,0,0,0,0,0|2,0,0]=4 317 B10R1.17 COCCc1ccccc1 TS06081 [2,0,0,0,0,0|2,0,0]=4 318 B10R1.17 [C-]#[N+]CCc1ccccc1 TS05666 [2,0,0,0,0,0|2,0,0]=4 319 B10R1.17 c1cc(cnc1)CCCO TS37116 [2,0,0,0,0,0|1,0,1]=4 320 B10R1.17 c1ccc(cc1)C#CC=O TS05539 [2,0,0,0,0,0|0,0,2]=4 321 B10R1.17 c1ccc(cc1)C=CC=O TS39725 [2,0,0,0,0,0|0,0,2]=4 322 B10R1.17 c1ccc(cc1)CCC#N TS56176 [2,0,0,0,0,0|1,0,1]=4 323 B10R1.17 c1ccc(cc1)CCC=O TS01796 [2,0,0,0,0,0|0,0,0]=2 324 B10R1.17 c1ccc(cc1)CCCCl TS41470 [2,0,0,0,0,0|1,0,1]=4 325 B10R1.17 c1ccc(cc1)CCCN TS36954 [2,0,0,0,0,0|1,0,1]=4 326 B10R1.17 c1ccc(cc1)CCCO TS37013 [2,0,0,0,0,0|0,0,1]=3 327 B10R1.17 c1ccc(cc1)CCCS TS41196 [2,0,0,0,0,0|0,1,1]=4 328 B10R1.17 c1ccc(cc1)CCNN TS06106 [2,0,0,0,0,0|2,0,0]=4 329 B10R1.17 c1ccc(cc1)CN=C=O TS36745 [2,0,0,0,0,0|1,0,1]=4 330 B10R1.17 c1ccc(cc1)CNC=O TS36937 [2,0,0,0,0,0|1,0,0]=3 331 B10R1.17 c1ccc(cc1)COC=O TS36984 [2,0,0,0,0,0|1,0,0]=3 332 B10R1.17 c1ccc(cc1)NCCO TS37110 [2,0,0,0,0,0|1,0,1]=4 333 B10R1.17 c1ccc(cc1)NNC=O TS06048 [2,0,0,0,0,0|2,0,0]=4 334 B10R1.17 c1ccc(cc1)OCC=O TS36991 [2,0,0,0,0,0|1,0,0]=3 335 B10R1.17 c1ccc(cc1)OCCO TS06243 [2,0,0,0,0,0|1,0,1]=4 336 B10R1.17 c1ccc(cc1)SCCO TS10471 [2,0,0,0,0,0|1,0,1]=4 337 B10R1.17 c1ccnc(c1)CCCO TS02471 [2,0,0,0,0,0|1,0,1]=4 338 B10R1.17 c1cnccc1CCCO TS37120 [2,0,0,0,0,0|1,0,1]=4 339 B10R1.18 B(Cc1ccccc1)(O)O TS01380 [2,0,0,0,0,0|2,0,0]=4 340 B10R1.18 CC(=C)Cc1ccccc1 TS36701 [2,0,0,0,0,0|1,0,1]=4 341 B10R1.18 CC(=O)Cc1ccccc1 TS36838 [2,0,0,0,0,0|1,0,1]=4 342 B10R1.18 CC(C)Cc1ccccc1 TS74509 [2,0,0,0,0,0|1,0,1]=4 343 B10R1.18 CC(Cc1ccccc1)Br TS55076 [2,0,0,0,0,0|1,0,1]=4 344 B10R1.18 CC(Cc1ccccc1)N TS06010 [2,0,0,0,0,0|0,0,1]=3 345 B10R1.18 CC(Cc1ccccc1)O TS47018 [2,0,0,0,0,0|1,0,0]=3 346 B10R1.18 CC(Cc1ccccn1)N TS46983 [2,0,0,0,0,0|1,0,1]=4 347 B10R1.18 CC(Cc1cccnc1)N TS00050 [2,0,0,0,0,0|1,0,1]=4 348 B10R1.18 CS(=O)Cc1ccccc1 TS10469 [2,0,0,0,0,0|2,0,0]=4 349 B10R1.18 C[C@@H](Cc1ccccc1)N TS36940 [2,0,0,0,0,0|0,0,1]=3 350 B10R1.18 C[C@@H](Cc1ccccc1)N TS66757 [2,0,0,0,0,0|0,0,1]=3 351 B10R1.18 c1cc[n+](cc1)CC(=O)N TS45571 [2,0,0,0,0,0|1,0,1]=4 352 B10R1.18 c1ccc(cc1)CC(=O)Cl TS59338 [2,0,0,0,0,0|1,0,1]=4 353 B10R1.18 c1ccc(cc1)CC(=O)N TS36936 [2,0,0,0,0,0|0,0,1]=3 354 B10R1.18 c1ccc(cc1)CC(=O)O TS06169 [2,0,0,0,0,0|1,0,1]=4 355 B10R1.18 c1ccc(cc1)CC(=O)O TS37162 [2,0,0,0,0,0|1,0,1]=4 356 B10R1.18 c1ccc(cc1)CC(=O)[O-] TS41860 [2,0,0,0,0,0|1,0,1]=4 357 B10R1.18 c1ccc(cc1)CC(=O)[O-] TS45813 [2,0,0,0,0,0|1,0,1]=4 358 B10R1.18 c1ccc(cc1)CC(=S)N TS41053 [2,0,0,0,0,0|0,1,1]=4 359 B10R1.18 c1ccc(cc1)NC(=O)N TS06065 [2,0,0,0,0,0|1,0,1]=4 360 B10R1.18 c1ccc(cc1)OC(=O)N TS06164 [2,0,0,0,0,0|1,0,1]=4 361 B10R1.18 c1ccnc(c1)CC(=O)N TS06050 [2,0,0,0,0,0|1,0,1]=4 362 B10R1.18 c1cnccc1CC(=O)N TS36994 [2,0,0,0,0,0|1,0,1]=4 363 B12R1.32 COC[C@H](Cc1ccccc1)N TS38188 [1,1,0,0,0,0|0,0,1]=3 364 B12R1.34 c1ccc(cc1)C(C(C=O)Br)Br TS35452 [1,1,0,0,0,0|1,0,0]=3 365 B12R1.49 c1cc(ccc1CC(=NO)N)Br TS24664 [1,1,0,0,0,0|1,0,1]=4 366 B12R1.49 c1cc(ccc1CC(CO)N)Cl TS15533 [1,1,0,0,0,0|0,0,1]=3 367 B12R1.49 c1cc(ccc1C[C@@H](CO)N)Cl TS48808 [1,1,0,0,0,0|0,0,1]=3 368 B12R1.49 c1cc(ccc1C[C@H](CO)N)Cl TS15530 [1,1,0,0,0,0|0,0,1]=3 369 B12R1.49 c1cc(ccc1C[C@H](CO)N)O TS43238 [1,1,0,0,0,0|0,0,1]=3 370 B12R1.194 CC(C)(Cc1ccccc1)C=O TS11594 [1,1,0,0,0,0|1,0,0]=3 371 B12R1.21 CC(=O)CCc1ccc(cc1)Cl TS48370 [1,1,0,0,0,0|1,0,0]=3 372 B12R1.21 CC(=O)CCc1ccc(cc1)O TS11860 [1,1,0,0,0,0|1,0,0]=3 373 B12R1.21 CC(=O)CSc1ccc(cc1)Cl TS38024 [1,1,0,0,0,0|2,0,0]=4 374 B12R1.21 CC(=O)CSc1ccc(cc1)F TS15289 [1,1,0,0,0,0|2,0,0]=4 375 B12R1.21 CC(=O)NCc1ccc(cc1)N TS11902 [1,1,0,0,0,0|2,0,0]=4 376 B12R1.21 CC(=O)OCc1ccc(cc1)Cl TS48659 [1,1,0,0,0,0|2,0,0]=4 377 B12R1.21 C[C@H](CCc1ccc(cc1)O)O TS93838 [1,1,0,0,0,0|1,0,1]=4 378 B12R1.21 Cc1ccc(cc1)C=CC(=O)O TS42438 [1,1,0,0,0,0|0,0,2]=4 379 B12R1.21 Cc1ccc(cc1)CCC(=O)O TS42740 [1,1,0,0,0,0|0,0,0]=2 380 B12R1.21 Cc1ccc(cc1)COC(=O)C TS11893 [1,1,0,0,0,0|2,0,0]=4 381 B12R1.21 Cc1ccc(cc1)OCC(=O)O TS12179 [1,1,0,0,0,0|1,0,0]=3 382 B12R1.21 c1cc(ccc1C=CC(=O)O)Cl TS48348 [1,1,0,0,0,0|0,0,2]=4 383 B12R1.21 c1cc(ccc1C=CC(=O)O)F TS09125 [1,1,0,0,0,0|0,0,2]=4 384 B12R1.21 c1cc(ccc1C=CC(=O)O)I TS74409 [1,1,0,0,0,0|0,0,2]=4 385 B12R1.21 c1cc(ccc1C=CC(=O)O)N TS32623 [1,1,0,0,0,0|0,0,2]=4 386 B12R1.21 c1cc(ccc1C=CC(=O)O)N TS37794 [1,1,0,0,0,0|0,0,2]=4 387 B12R1.21 c1cc(ccc1C=CC(=O)O)O TS65687 [1,1,0,0,0,0|0,0,2]=4 388 B12R1.21 c1cc(ccc1CCC(=O)N)O TS12027 [1,1,0,0,0,0|1,0,0]=3 389 B12R1.21 c1cc(ccc1CCC(=O)O)Br TS09422 [1,1,0,0,0,0|0,0,0]=2 390 B12R1.21 c1cc(ccc1CCC(=O)O)F TS44855 [1,1,0,0,0,0|0,0,0]=2 391 B12R1.21 c1cc(ccc1CCC(=O)O)I TS65689 [1,1,0,0,0,0|0,0,0]=2 392 B12R1.21 c1cc(ccc1CCC(=O)O)N TS09418 [1,1,0,0,0,0|0,0,0]=2 393 B12R1.21 c1cc(ccc1CCC(=O)O)O TS43042 [1,1,0,0,0,0|0,0,0]=2 394 B12R1.21 c1cc(ccc1CCC(=O)O)S TS15000 [1,1,0,0,0,0|0,0,0]=2 395 B12R1.21 c1cc(ccc1CNC(=O)N)F TS12511 [1,1,0,0,0,0|2,0,0]=4 396 B12R1.21 c1cc(ccc1CNC(=O)N)N TS12035 [1,1,0,0,0,0|2,0,0]=4 397 B12R1.21 c1cc(ccc1F)SCC(=O)O TS15593 [1,1,0,0,0,0|1,0,0]=3 398 B12R1.21 c1cc(ccc1N)NCC(=O)O TS43068 [1,1,0,0,0,0|1,0,0]=3 399 B12R1.21 c1cc(ccc1N)SCC(=O)O TS15156 [1,1,0,0,0,0|1,0,0]=3 400 B12R1.21 c1cc(ccc1NCC(=O)O)O TS00318 [1,1,0,0,0,0|1,0,0]=3 401 B12R1.21 c1cc(ccc1NCC(=O)O)O TS43213 [1,1,0,0,0,0|1,0,0]=3 402 B12R1.21 c1cc(ccc1O)OCC(=O)O TS44827 [1,1,0,0,0,0|1,0,0]=3 403 B12R1.21 c1cc(ccc1OCC(=O)Cl)F TS16078 [1,1,0,0,0,0|2,0,0]=4 404 B12R1.21 c1cc(ccc1OCC(=O)O)Br TS53125 [1,1,0,0,0,0|1,0,0]=3 405 B12R1.21 c1cc(ccc1OCC(=O)O)Cl TS15705 [1,1,0,0,0,0|1,0,0]=3 406 B12R1.21 c1cc(ccc1OCC(=O)O)F TS45082 [1,1,0,0,0,0|1,0,0]=3 407 B12R1.21 c1cc(ccc1OCC(=O)O)I TS33985 [1,1,0,0,0,0|1,0,0]=3 408 B12R1.21 c1cc(ccc1OCC(=O)[O-])Cl TS43547 [1,1,0,0,0,0|1,0,1]=4 409 B12R1.21 c1cc(ccc1SCC(=O)N)Cl TS38177 [1,1,0,0,0,0|2,0,0]=4 410 B12R1.21 c1cc(ccc1SCC(=O)O)Cl TS19487 [1,1,0,0,0,0|1,0,0]=3 411 B12R1.27 C=CC(=O)NCc1ccccc1 TS42309 [1,1,0,0,0,0|2,0,0]=4 412 B12R1.27 C=CC(=O)OCc1ccccc1 TS01378 [1,1,0,0,0,0|2,0,0]=4 413 B12R1.27 CCC(=O)CCc1ccccc1 TS08927 [1,1,0,0,0,0|1,0,0]=3 414 B12R1.27 CCC(=O)OCc1ccccc1 TS42731 [1,1,0,0,0,0|2,0,0]=4 415 B12R1.27 COC(=O)C#Cc1ccccc1 TS42134 [1,1,0,0,0,0|0,0,2]=4 416 B12R1.27 COC(=O)C=Cc1ccccc1 TS42433 [1,1,0,0,0,0|0,0,2]=4 417 B12R1.27 COC(=O)CCc1ccccc1 TS08580 [1,1,0,0,0,0|0,0,0]=2 418 B12R1.27 COC(=O)CCc1ccncc1 TS12012 [1,1,0,0,0,0|1,0,0]=3 419 B12R1.27 COC(=O)COc1ccccc1 TS12178 [1,1,0,0,0,0|1,0,0]=3 420 B12R1.27 COC(=O)CSc1ccccc1 TS15002 [1,1,0,0,0,0|1,0,0]=3 421 B12R1.27 c1cc(cnc1)CCC(=O)NN TS12042 [1,1,0,0,0,0|2,0,0]=4 422 B12R1.27 c1ccc(cc1)CCC(=O)NN TS42773 [1,1,0,0,0,0|1,0,0]=3 423 B12R1.27 c1ccc(cc1)CCC(=O)NO TS42907 [1,1,0,0,0,0|0,0,0]=2 424 B12R1.27 c1ccc(cc1)CNC(=O)CBr TS24462 [1,1,0,0,0,0|2,0,0]=4 425 B12R1.27 c1ccc(cc1)CNC(=O)CCl TS48489 [1,1,0,0,0,0|2,0,0]=4 426 B12R1.27 c1ccc(cc1)COC(=O)CBr TS59636 [1,1,0,0,0,0|2,0,0]=4 427 B12R1.27 c1ccc(cc1)COC(=O)CCl TS48661 [1,1,0,0,0,0|2,0,0]=4 428 B12R1.27 c1ccc(cc1)COC(=O)CN TS01384 [1,1,0,0,0,0|2,0,0]=4 429 B12R1.27 c1ccc(cc1)COC(=O)CN TS42888 [1,1,0,0,0,0|2,0,0]=4 430 B12R1.27 c1ccc(cc1)COC(=O)CN TS78338 [1,1,0,0,0,0|2,0,0]=4 431 B12R1.27 c1ccc(cc1)COC(=O)CO TS12174 [1,1,0,0,0,0|1,0,0]=3 432 B12R1.27 c1ccc(cc1)COC(=O)CS TS15006 [1,1,0,0,0,0|1,1,0]=4 433 B12R1.27 c1ccc(cc1)COC(=O)NN TS01382 [1,1,0,0,0,0|2,0,0]=4 434 B12R1.27 c1ccc(cc1)COC(=O)NN TS38352 [1,1,0,0,0,0|2,0,0]=4 435 B12R1.27 c1ccc(cc1)COC(=O)NO TS43211 [1,1,0,0,0,0|1,0,0]=3 436 B12R1.27 c1ccc(cc1)OCC(=NO)N TS43060 [1,1,0,0,0,0|2,0,0]=4 437 B12R1.27 c1ccc(cc1)OCC(=O)OBr TS53117 [1,1,0,0,0,0|1,0,0]=3 438 B12R1.107 CC(=CC(=O)O)c1ccccc1 TS42432 [1,1,0,0,0,0|0,0,2]=4 439 B12R1.107 CC(=O)CC(=O)c1ccccc1 TS42435 [1,1,0,0,0,0|1,0,1]=4 440 B12R1.107 CC(CC(=O)O)c1ccccc1 TS42755 [1,1,0,0,0,0|0,0,0]=2 441 B12R1.107 CC(c1ccccc1)NC(=O)C TS11732 [1,1,0,0,0,0|2,0,0]=4 442 B12R1.107 CC(c1ccccc1)OC(=O)C TS39949 [1,1,0,0,0,0|2,0,0]=4 443 B12R1.107 C[C@@H](CC(=O)O)c1ccccc1 TS42738 [1,1,0,0,0,0|0,0,0]=2 444 B12R1.107 C[C@@H](c1ccccc1)NC(=O)C TS11712 [1,1,0,0,0,0|2,0,0]=4 445 B12R1.107 C[C@H](CC(=O)O)c1ccccc1 TS42736 [1,1,0,0,0,0|0,0,0]=2 446 B12R1.107 C[C@H](c1ccccc1)NC(=O)C TS11718 [1,1,0,0,0,0|2,0,0]=4 447 B12R1.107 c1cc(cnc1)C(CC(=O)O)N TS43076 [1,1,0,0,0,0|1,0,0]=3 448 B12R1.107 c1cc(cnc1)[C@@H](CC(=O)O)N TS12211 [1,1,0,0,0,0|1,0,0]=3 449 B12R1.107 c1cc(cnc1)[C@H](CC(=O)O)N TS12220 [1,1,0,0,0,0|1,0,0]=3 450 B12R1.107 c1ccc(cc1)C(CC(=O)O)Br TS52783 [1,1,0,0,0,0|0,0,0]=2 451 B12R1.107 c1ccc(cc1)C(CC(=O)O)N TS65071 [1,1,0,0,0,0|0,0,0]=2 452 B12R1.107 c1ccc(cc1)C(CC(=O)O)O TS12188 [1,1,0,0,0,0|0,0,0]=2 453 B12R1.107 c1ccc(cc1)C(C[N+](=O)[O-])O TS43216 [1,1,0,0,0,0|1,0,1]=4 454 B12R1.107 c1ccc(cc1)[C@@H](CC(=O)O)O TS43028 [1,1,0,0,0,0|0,0,0]=2 455 B12R1.107 c1ccc(cc1)[C@H](CC(=O)O)N TS46535 [1,1,0,0,0,0|0,0,0]=2 456 B12R1.107 c1ccc(cc1)[C@H](CC(=O)O)O TS43030 [1,1,0,0,0,0|0,0,0]=2 457 B12R1.107 c1ccnc(c1)C(CC(=O)O)N TS43062 [1,1,0,0,0,0|1,0,0]=3 458 B12R1.107 c1cnccc1C(CC(=O)O)N TS43077 [1,1,0,0,0,0|1,0,0]=3 459 B12R1.125 CC(=O)NCc1ccccc1Br TS24458 [1,1,0,0,0,0|2,0,0]=4 460 B12R1.125 Cc1ccccc1C=CC(=O)O TS42443 [1,1,0,0,0,0|0,0,2]=4 461 B12R1.125 Cc1ccccc1CCC(=O)O TS11858 [1,1,0,0,0,0|0,0,0]=2 462 B12R1.125 Cc1ccccc1COC(=O)C TS42751 [1,1,0,0,0,0|2,0,0]=4 463 B12R1.125 c1ccc(c(c1)C=CC(=O)O)Cl TS48349 [1,1,0,0,0,0|0,0,2]=4 464 B12R1.125 c1ccc(c(c1)C=CC(=O)O)F TS01025 [1,1,0,0,0,0|0,0,2]=4 465 B12R1.125 c1ccc(c(c1)C=CC(=O)O)O TS42702 [1,1,0,0,0,0|0,0,2]=4 466 B12R1.125 c1ccc(c(c1)CCC(=O)N)O TS42899 [1,1,0,0,0,0|1,0,0]=3 467 B12R1.125 c1ccc(c(c1)CCC(=O)O)Br TS65670 [1,1,0,0,0,0|0,0,0]=2 468 B12R1.125 c1ccc(c(c1)CCC(=O)O)Cl TS15380 [1,1,0,0,0,0|0,0,0]=2 469 B12R1.125 c1ccc(c(c1)CCC(=O)O)F TS00179 [1,1,0,0,0,0|0,0,0]=2 470 B12R1.125 c1ccc(c(c1)CCC(=O)O)I TS31068 [1,1,0,0,0,0|0,0,0]=2 471 B12R1.125 c1ccc(c(c1)CCC(=O)O)O TS43049 [1,1,0,0,0,0|0,0,0]=2 472 B12R1.125 c1ccc(c(c1)COC(=O)Cl)Cl TS19899 [1,1,0,0,0,0|2,0,0]=4 473 B12R1.125 c1ccc(c(c1)F)SCC(=O)O TS15592 [1,1,0,0,0,0|1,0,0]=3 474 B12R1.125 c1ccc(c(c1)NCC(=O)O)Cl TS93284 [1,1,0,0,0,0|1,0,0]=3 475 B12R1.125 c1ccc(c(c1)NCC(=O)O)F TS12658 [1,1,0,0,0,0|1,0,0]=3 476 B12R1.125 c1ccc(c(c1)NCC(=O)O)F TS12660 [1,1,0,0,0,0|1,0,0]=3 477 B12R1.125 c1ccc(c(c1)O)OCC(=O)O TS44831 [1,1,0,0,0,0|1,0,0]=3 478 B12R1.125 c1ccc(c(c1)OCC(=O)N)Cl TS15513 [1,1,0,0,0,0|2,0,0]=4 479 B12R1.125 c1ccc(c(c1)OCC(=O)O)Cl TS15709 [1,1,0,0,0,0|1,0,0]=3 480 B12R1.226 Cc1cccc(c1)C=CC(=O)O TS11541 [1,1,0,0,0,0|0,0,2]=4 481 B12R1.226 Cc1cccc(c1)CCC(=O)O TS11878 [1,1,0,0,0,0|0,0,0]=2 482 B12R1.226 Cc1cccc(c1)OCC(=O)N TS12004 [1,1,0,0,0,0|2,0,0]=4 483 B12R1.226 c1cc(cc(c1)Br)C=CC(=O)O TS24314 [1,1,0,0,0,0|0,0,2]=4 484 B12R1.226 c1cc(cc(c1)Br)CCC(=O)O TS09412 [1,1,0,0,0,0|0,0,0]=2 485 B12R1.226 c1cc(cc(c1)Cl)C=CC(=O)O TS15066 [1,1,0,0,0,0|0,0,2]=4 486 B12R1.226 c1cc(cc(c1)Cl)OCC(=O)N TS15520 [1,1,0,0,0,0|2,0,0]=4 487 B12R1.226 c1cc(cc(c1)Cl)OCC(=O)O TS00145 [1,1,0,0,0,0|1,0,0]=3 488 B12R1.226 c1cc(cc(c1)F)C=CC(=O)O TS65085 [1,1,0,0,0,0|0,0,2]=4 489 B12R1.226 c1cc(cc(c1)F)CCC(=O)O TS44844 [1,1,0,0,0,0|0,0,0]=2 490 B12R1.226 c1cc(cc(c1)F)OCC(=O)O TS07856 [1,1,0,0,0,0|1,0,0]=3 491 B12R1.226 c1cc(cc(c1)I)CCC(=O)O TS31076 [1,1,0,0,0,0|0,0,0]=2 492 B12R1.226 c1cc(cc(c1)N)CCC(=O)O TS09411 [1,1,0,0,0,0|0,0,0]=2 493 B12R1.226 c1cc(cc(c1)N)CCC(=O)O TS19280 [1,1,0,0,0,0|0,0,0]=2 494 B12R1.226 c1cc(cc(c1)O)C=CC(=O)O TS42701 [1,1,0,0,0,0|0,0,2]=4 495 B12R1.226 c1cc(cc(c1)O)CCC(=O)O TS43037 [1,1,0,0,0,0|0,0,0]=2 496 B12R1.226 c1cc(cc(c1)OCC(=O)O)N TS02664 [1,1,0,0,0,0|1,0,0]=3 497 B12R1.891 CC(C)(CCc1ccccc1)O TS42782 [1,1,0,0,0,0|1,0,1]=4 498 B12R1.891 c1ccc(cc1)CCS(=O)(=O)Cl TS38724 [1,1,0,0,0,0|1,0,1]=4 499 B12R1.891 c1ccnc(c1)CCS(=O)(=O)O TS15805 [1,1,0,0,0,0|2,0,0]=4 500 B12R1.891 c1cnccc1CCS(=O)(=O)O TS50548 [1,1,0,0,0,0|2,0,0]=4 501 B12R1.104 Cc1cc(on1)C[C@@H](C(=O)O)N TS12791 [0,1,0,0,1,0|2,0,0]=4 502 B12R1.104 Cn1cc(nc1)C[C@@H](C(=O)O)N TS57654 [0,1,0,0,1,0|2,0,0]=4 503 B12R1.104 Cn1cc(nc1)C[C@H](C(=O)O)N TS12674 [0,1,0,0,1,0|2,0,0]=4 504 B12R1.104 c1c(nc([nH]1)S)C[C@@H](C(=O)O)N TS50558 [0,1,0,0,1,0|2,0,0]=4 505 B12R1.104 c1cc(sc1CC(C(=O)O)N)Br TS27993 [0,1,0,0,1,0|1,0,0]=3 506 B12R1.104 c1cc(sc1C[C@@H](C(=O)O)N)Br TS27995 [0,1,0,0,1,0|1,0,0]=3 507 B12R1.104 c1cc(sc1C[C@H](C(=O)O)N)Br TS27994 [0,1,0,0,1,0|1,0,0]=3 508 B12R1.108 COC(=O)[C@@H](Cc1c[nH]cn1)N TS57653 [0,1,0,0,1,0|2,0,0]=4 509 B12R1.108 COC(=O)[C@H](Cc1c[nH]cn1)N TS01523 [0,1,0,0,1,0|2,0,0]=4 510 B12R1.145 Cn1cncc1C[C@@H](C(=O)O)N TS12663 [0,1,0,0,1,0|2,0,0]=4 511 B12R1.145 Cn1cncc1C[C@H](C(=O)O)N TS12665 [0,1,0,0,1,0|2,0,0]=4 512 B12R1.298 CN[C@@H](Cc1c[nH]cn1)C(=O)O TS38888 [0,1,0,0,1,0|2,0,0]=4 513 B12R1.298 CN[C@H](Cc1c[nH]cn1)C(=O)O TS38887 [0,1,0,0,1,0|2,0,0]=4 514 B12R1.20 CC(c1ccc(cc1)Cl)C(=O)O TS15384 [0,1,0,0,1,0|1,0,0]=3 515 B12R1.20 CC(c1ccc(cc1)O)C(=O)O TS43033 [0,1,0,0,1,0|1,0,0]=3 516 B12R1.20 Cc1ccc(cc1)C(=O)C(=O)O TS64974 [0,1,0,0,1,0|1,0,1]=4 517 B12R1.20 Cc1ccc(cc1)C(C(=O)O)N TS42892 [0,1,0,0,1,0|0,0,0]=2 518 B12R1.20 Cc1ccc(cc1)C(C)C(=O)O TS65000 [0,1,0,0,1,0|1,0,0]=3 519 B12R1.20 Cc1ccc(cc1)[C@H](C(=S)O)O TS54028 [0,1,0,0,1,0|1,1,0]=4 520 B12R1.20 c1cc(ccc1C(C(=O)O)Br)Cl TS27946 [0,1,0,0,1,0|1,0,0]=3 521 B12R1.20 c1cc(ccc1C(C(=O)O)N)Br TS65021 [0,1,0,0,1,0|0,0,0]=2 522 B12R1.20 c1cc(ccc1C(C(=O)O)N)Cl TS15524 [0,1,0,0,1,0|0,0,0]=2 523 B12R1.20 c1cc(ccc1C(C(=O)O)N)F TS03091 [0,1,0,0,1,0|0,0,0]=2 524 B12R1.20 c1cc(ccc1C(C(=O)O)N)I TS31200 [0,1,0,0,1,0|0,0,0]=2 525 B12R1.20 c1cc(ccc1C(C(=O)O)O)Br TS53111 [0,1,0,0,1,0|1,0,0]=3 526 B12R1.20 c1cc(ccc1C(C(=O)O)O)Cl TS15716 [0,1,0,0,1,0|1,0,0]=3 527 B12R1.20 c1cc(ccc1C(C(=O)O)O)Cl TS93829 [0,1,0,0,1,0|1,0,0]=3 528 B12R1.20 c1cc(ccc1C(C(=O)O)O)F TS45083 [0,1,0,0,1,0|1,0,0]=3 529 B12R1.20 c1cc(ccc1C(C(=O)O)O)O TS44810 [0,1,0,0,1,0|1,0,0]=3 530 B12R1.20 c1cc(ccc1[C@@H](C(=O)O)N)Cl TS15516 [0,1,0,0,1,0|0,0,0]=2 531 B12R1.20 c1cc(ccc1[C@@H](C(=O)O)N)F TS00312 [0,1,0,0,1,0|0,0,0]=2 532 B12R1.20 c1cc(ccc1[C@@H](C(=O)O)O)Cl TS15721 [0,1,0,0,1,0|1,0,0]=3 533 B12R1.20 c1cc(ccc1[C@H](C(=O)O)N)Cl TS22966 [0,1,0,0,1,0|0,0,0]=2 534 B12R1.20 c1cc(ccc1[C@H](C(=O)O)N)F TS39566 [0,1,0,0,1,0|0,0,0]=2 535 B12R1.20 c1cc(ccc1[C@H](C(=O)O)N)I TS31196 [0,1,0,0,1,0|0,0,0]=2 536 B12R1.20 c1cc(ccc1[C@H](C(=O)O)N)N TS12219 [0,1,0,0,1,0|0,0,0]=2 537 B12R1.20 c1cc(ccc1[C@H](C(=O)O)O)Br TS53116 [0,1,0,0,1,0|1,0,0]=3 538 B12R1.20 c1cc(ccc1[C@H](C(=O)O)O)Cl TS15710 [0,1,0,0,1,0|1,0,0]=3 539 B12R1.124 CC(c1ccccc1Cl)C(=O)O TS15383 [0,1,0,0,1,0|1,0,0]=3 540 B12R1.124 CC(c1ccccc1O)C(=O)O TS12173 [0,1,0,0,1,0|1,0,0]=3 541 B12R1.124 c1ccc(c(c1)C(=O)C(=O)O)F TS12471 [0,1,0,0,1,0|1,0,1]=4 542 B12R1.124 c1ccc(c(c1)C(C(=O)O)Br)Cl TS09017 [0,1,0,0,1,0|1,0,0]=3 543 B12R1.124 c1ccc(c(c1)C(C(=O)O)Br)Cl TS93283 [0,1,0,0,1,0|1,0,0]=3 544 B12R1.124 c1ccc(c(c1)C(C(=O)O)N)Br TS24813 [0,1,0,0,1,0|0,0,0]=2 545 B12R1.124 c1ccc(c(c1)C(C(=O)O)N)O TS12360 [0,1,0,0,1,0|0,0,0]=2 546 B12R1.124 c1ccc(c(c1)C(C(=O)O)O)Br TS53123 [0,1,0,0,1,0|1,0,0]=3 547 B12R1.124 c1ccc(c(c1)C(C(=O)O)O)Cl TS07850 [0,1,0,0,1,0|1,0,0]=3 548 B12R1.124 c1ccc(c(c1)C(C(=O)O)O)F TS45081 [0,1,0,0,1,0|1,0,0]=3 549 B12R1.124 c1ccc(c(c1)[C@@H](C(=O)O)N)O TS12355 [0,1,0,0,1,0|0,0,0]=2 550 B12R1.124 c1ccc(c(c1)[C@@H](C(=O)O)O)Cl TS22968 [0,1,0,0,1,0|1,0,0]=3 551 B12R1.124 c1ccc(c(c1)[C@H](C(=O)O)N)Cl TS01411 [0,1,0,0,1,0|0,0,0]=2 552 B12R1.124 c1ccc(c(c1)[C@H](C(=O)O)N)O TS43197 [0,1,0,0,1,0|0,0,0]=2 553 B12R1.124 c1ccc(c(c1)[C@H](C(=O)O)O)Cl TS22962 [0,1,0,0,1,0|1,0,0]=3 554 B12R1.225 CC(c1cccc(c1)Br)C(=O)O TS47050 [0,1,0,0,1,0|1,0,0]=3 555 B12R1.225 CC(c1cccc(c1)Cl)C(=O)O TS48658 [0,1,0,0,1,0|1,0,0]=3 556 B12R1.225 Cc1cccc(c1)C(C(=O)O)O TS43039 [0,1,0,0,1,0|1,0,0]=3 557 B12R1.225 Cc1cccc(n1)C(C(=O)O)N TS12217 [0,1,0,0,1,0|1,0,0]=3 558 B12R1.225 Cc1cccc(n1)C(C(=O)O)O TS43205 [0,1,0,0,1,0|2,0,0]=4 559 B12R1.225 c1cc(cc(c1)Br)C(C(=O)O)N TS24822 [0,1,0,0,1,0|0,0,0]=2 560 B12R1.225 c1cc(cc(c1)Br)C(C(=O)O)O TS53115 [0,1,0,0,1,0|1,0,0]=3 561 B12R1.225 c1cc(cc(c1)Cl)C(C(=O)O)N TS33220 [0,1,0,0,1,0|0,0,0]=2 562 B12R1.225 c1cc(cc(c1)Cl)C(C(=O)O)O TS15708 [0,1,0,0,1,0|1,0,0]=3 563 B12R1.225 c1cc(cc(c1)Cl)[C@@H](C(=O)O)O TS15715 [0,1,0,0,1,0|1,0,0]=3 564 B12R1.225 c1cc(cc(c1)Cl)[C@H](C(=O)O)N TS15506 [0,1,0,0,1,0|0,0,0]=2 565 B12R1.225 c1cc(cc(c1)F)C(C(=O)O)N TS12657 [0,1,0,0,1,0|0,0,0]=2 566 B12R1.225 c1cc(cc(c1)F)[C@@H](C(=O)O)N TS12662 [0,1,0,0,1,0|0,0,0]=2 567 B12R1.225 c1cc(cc(c1)O)C(C(=O)O)O TS44825 [0,1,0,0,1,0|1,0,0]=3 568 B12R1.225 c1cc(cc(c1)O)[C@H](C(=O)O)N TS43196 [0,1,0,0,1,0|0,0,0]=2 569 B12R1.253 CC(C)(c1ccccc1)C(=O)O TS01108 [0,1,0,0,1,0|1,0,0]=3 570 B12R1.253 CC(c1ccccc1)(C(=O)O)N TS12005 [0,1,0,0,1,0|0,0,0]=2 571 B12R1.253 C[C@@](c1ccccc1)(C(=O)O)O TS43029 [0,1,0,0,1,0|1,0,0]=3 572 B12R1.253 C[C@](c1ccccc1)(C(=O)O)N TS12025 [0,1,0,0,1,0|0,0,0]=2 573 B12R1.253 C[C@](c1ccccc1)(C(=O)O)O TS12161 [0,1,0,0,1,0|1,0,0]=3 574 B12R1.253 c1ccc(cc1)C(C(=O)N)(F)F TS12964 [0,1,0,0,1,0|2,0,0]=4 575 B12R1.253 c1ccnc(c1)C(C(=O)O)(F)F TS85741 [0,1,0,0,1,0|2,0,0]=4 576 B12R1.478 CC(=O)C(C#N)c1ccccc1 TS65634 [0,1,0,0,1,0|1,0,1]=4 577 B12R1.478 CCC(c1ccccc1)C(=O)Cl TS48366 [0,1,0,0,1,0|2,0,0]=4 578 B12R1.478 CCC(c1ccccc1)C(=O)N TS42598 [0,1,0,0,1,0|2,0,0]=4 579 B12R1.478 CCC(c1ccccc1)C(=O)O TS42761 [0,1,0,0,1,0|1,0,0]=3 580 B12R1.478 CN[C@@H](c1ccccc1)C(=O)O TS42891 [0,1,0,0,1,0|0,0,0]=2 581 B12R1.478 COC(c1ccccc1)C(=O)O TS12180 [0,1,0,0,1,0|1,0,0]=3 582 B12R1.478 COC(c1ccccc1)C(=O)[O-] TS15927 [0,1,0,0,1,0|1,0,1]=4 583 B12R1.478 CO[C@@H](c1ccccc1)C(=O)O TS43053 [0,1,0,0,1,0|1,0,0]=3 584 B12R1.478 CO[C@H](c1ccccc1)C(=O)O TS39563 [0,1,0,0,1,0|1,0,0]=3 585 B12R1.478 c1ccc(cc1)C(=NO)C(=O)O TS11996 [0,1,0,0,1,0|0,0,2]=4 586 B12R1.478 c1ccc(cc1)C(CO)C(=O)N TS34758 [0,1,0,0,1,0|2,0,0]=4 587 B12R1.478 c1ccc(cc1)C(CO)C(=O)O TS12203 [0,1,0,0,1,0|1,0,0]=3 588 B14R1.337 Cc1ccccc1C[C@@H](CC(=O)O)N TS65846 [0,1,0,0,0,1|0,0,0]=2 589 B14R1.337 Cc1ccccc1C[C@H](CC(=O)O)N TS52909 [0,1,0,0,0,1|0,0,0]=2 590 B14R1.337 c1ccc(c(c1)C[C@@H](CC(=O)O)N)Br TS58512 [0,1,0,0,0,1|0,0,0]=2 591 B14R1.337 c1ccc(c(c1)C[C@@H](CC(=O)O)N)Cl TS62802 [0,1,0,0,0,1|0,0,0]=2 592 B14R1.337 c1ccc(c(c1)C[C@@H](CC(=O)O)N)F TS53532 [0,1,0,0,0,1|0,0,0]=2 593 B14R1.337 c1ccc(c(c1)C[C@H](CC(=O)O)N)Br TS58511 [0,1,0,0,0,1|0,0,0]=2 594 B14R1.337 c1ccc(c(c1)C[C@H](CC(=O)O)N)Cl TS28003 [0,1,0,0,0,1|0,0,0]=2 595 B14R1.337 c1ccc(c(c1)C[C@H](CC(=O)O)N)F TS53530 [0,1,0,0,0,1|0,0,0]=2 596 B14R1.417 c1ccc(cc1)C(=O)C(CC(=O)O)Br TS29015 [0,1,0,0,0,1|1,0,1]=4 597 B14R1.425 c1ccc(cc1)CC(C(C(=O)O)O)N TS18053 [0,1,0,0,0,1|0,0,0]=2 598 B14R1.425 c1ccc(cc1)C[C@@H]([C@@H](C(=O)O)O)N TS53225 [0,1,0,0,0,1|0,0,0]=2 599 B14R1.425 c1ccc(cc1)C[C@H]([C@@H](C(=O)O)O)N TS52010 [0,1,0,0,0,1|0,0,0]=2 600 B14R1.425 c1ccc(cc1)C[C@H]([C@H](C(=O)O)O)N TS52020 [0,1,0,0,0,1|0,0,0]=2 601 B14R1.698 Cc1ccc(cc1)C[C@@H](CC(=O)O)N TS24791 [0,1,0,0,0,1|0,0,0]=2 602 B14R1.698 Cc1ccc(cc1)C[C@H](CC(=O)O)N TS24784 [0,1,0,0,0,1|0,0,0]=2 603 B14R1.698 c1cc(ccc1C[C@@H](CC(=O)O)N)Br TS58513 [0,1,0,0,0,1|0,0,0]=2 604 B14R1.698 c1cc(ccc1C[C@@H](CC(=O)O)N)Cl TS28001 [0,1,0,0,0,1|0,0,0]=2 605 B14R1.698 c1cc(ccc1C[C@@H](CC(=O)O)N)F TS53534 [0,1,0,0,0,1|0,0,0]=2 606 B14R1.698 c1cc(ccc1C[C@@H](CC(=O)O)N)I TS64302 [0,1,0,0,0,1|0,0,0]=2 607 B14R1.698 c1cc(ccc1C[C@H](CC(=O)O)N)Br TS58510 [0,1,0,0,0,1|0,0,0]=2 608 B14R1.698 c1cc(ccc1C[C@H](CC(=O)O)N)F TS53533 [0,1,0,0,0,1|0,0,0]=2 609 B14R1.698 c1cc(ccc1C[C@H](CC(=O)O)N)I TS64301 [0,1,0,0,0,1|0,0,0]=2 610 B14R1.743 COC(=O)CC(=O)Cc1ccccc1 TS22889 [0,1,0,0,0,1|1,0,1]=4 611 B14R1.1485 CC(=O)OC(C)(C)Cc1ccccc1 TS17523 [0,1,0,0,0,1|2,0,0]=4 612 B14R1.5978 Cc1cccc(c1)C[C@@H](CC(=O)O)N TS24792 [0,1,0,0,0,1|0,0,0]=2 613 B14R1.5978 Cc1cccc(c1)C[C@H](CC(=O)O)N TS52910 [0,1,0,0,0,1|0,0,0]=2 614 B14R1.5978 c1cc(cc(c1)Cl)C[C@@H](CC(=O)O)N TS28002 [0,1,0,0,0,1|0,0,0]=2 615 B14R1.5978 c1cc(cc(c1)F)C[C@@H](CC(=O)O)N TS53536 [0,1,0,0,0,1|0,0,0]=2 616 B14R1.5978 c1cc(cc(c1)F)C[C@H](CC(=O)O)N TS53535 [0,1,0,0,0,1|0,0,0]=2 617 B14R1.415 CC(C(=O)O)NC(=O)c1ccccc1 TS17654 [0,1,0,0,0,1|1,0,1]=4 618 B14R1.415 CC(C(=O)O)OC(=O)c1ccccc1 TS17796 [0,1,0,0,0,1|1,0,1]=4 619 B14R1.415 CC(CC(=O)c1ccccc1)C(=O)O TS17475 [0,1,0,0,0,1|1,0,0]=3 620 B14R1.415 C[C@@H](C(=O)O)NC(=O)c1ccccc1 TS17644 [0,1,0,0,0,1|1,0,1]=4 621 B14R1.415 C[C@H](C(=O)O)NC(=O)c1ccccc1 TS17658 [0,1,0,0,0,1|1,0,1]=4 622 B14R1.415 c1ccc(cc1)C(=O)NC(C(=O)O)O TS51976 [0,1,0,0,0,1|1,0,1]=4 623 B14R1.679 CC(CSc1ccc(cc1)Cl)C(=O)O TS24992 [0,1,0,0,0,1|1,0,0]=3 624 B14R1.679 c1cc(ccc1CC[C@H](C(=O)O)N)O TS31088 [0,1,0,0,0,1|0,0,0]=2 625 B14R1.756 C[C@@H](C(=O)OC)NCc1ccccc1 TS00224 [0,1,0,0,0,1|1,0,0]=3 626 B14R1.756 C[C@H](C(=O)OC)NCc1ccccc1 TS24794 [0,1,0,0,0,1|1,0,0]=3 627 B14R1.4194 c1ccc(cc1)CN[C@@H](CO)C(=O)O TS52003 [0,1,0,0,0,1|1,0,0]=3 628 B14R1.3 CCc1ccc(cc1)CC(C(=O)O)N TS17678 [0,2,0,0,0,0|0,0,0]=2 629 B14R1.3 CCc1ccc(cc1)C[C@@H](C(=O)O)N TS51674 [0,2,0,0,0,0|0,0,0]=2 630 B14R1.3 CCc1ccc(cc1)C[C@H](C(=O)O)N TS17685 [0,2,0,0,0,0|0,0,0]=2 631 B14R1.3 COc1ccc(cc1)CC(C(=O)O)N TS18057 [0,2,0,0,0,0|0,0,0]=2 632 B14R1.3 COc1ccc(cc1)CC(C(=O)O)O TS53640 [0,2,0,0,0,0|1,0,0]=3 633 B14R1.3 COc1ccc(cc1)C[C@@H](C(=O)O)N TS53229 [0,2,0,0,0,0|0,0,0]=2 634 B14R1.3 c1cc(ccc1CC(C(=O)O)N)C#N TS51089 [0,2,0,0,0,0|0,0,0]=2 635 B14R1.3 c1cc(ccc1C[C@@H](C(=O)O)N)CN TS51847 [0,2,0,0,0,0|0,0,0]=2 636 B14R1.132 c1cc(ccc1C(C(C(=O)O)Br)Br)Cl TS64339 [0,2,0,0,0,0|1,0,0]=3 637 B14R1.134 COC(=O)C(Cc1ccc(cc1)Br)Br TS61685 [0,2,0,0,0,0|1,0,0]=3 638 B14R1.134 COC(=O)C(Cc1ccc(cc1)Cl)N TS62803 [0,2,0,0,0,0|0,0,0]=2 639 B14R1.134 COC(=O)C(Cc1ccc(cc1)F)N TS53531 [0,2,0,0,0,0|0,0,0]=2 640 B14R1.134 COC(=O)C(Cc1ccc(cc1)O)N TS18049 [0,2,0,0,0,0|0,0,0]=2 641 B14R1.134 COC(=O)C(Cc1ccc(cc1)O)N TS53230 [0,2,0,0,0,0|0,0,0]=2 642 B14R1.134 COC(=O)[C@@H](Cc1ccc(cc1)O)N TS77137 [0,2,0,0,0,0|0,0,0]=2 643 B14R1.134 COC(=O)[C@H](Cc1ccc(cc1)Br)N TS58514 [0,2,0,0,0,0|0,0,0]=2 644 B14R1.134 COC(=O)[C@H](Cc1ccc(cc1)Cl)N TS28004 [0,2,0,0,0,0|0,0,0]=2 645 B14R1.134 COC(=O)[C@H](Cc1ccc(cc1)O)N TS34586 [0,2,0,0,0,0|0,0,0]=2 646 B14R1.134 COC(=O)[C@H](Cc1ccc(cc1)O)N TS53227 [0,2,0,0,0,0|0,0,0]=2 647 B14R1.134 C[C@H](C(=O)OC)Oc1ccc(cc1)O TS53643 [0,2,0,0,0,0|2,0,0]=4 648 B14R1.134 c1cc(ccc1C[C@@H](C(=O)NN)N)O TS09200 [0,2,0,0,0,0|1,0,0]=3 649 B14R1.134 c1cc(ccc1C[C@H](C(=NO)O)N)O TS18247 [0,2,0,0,0,0|0,0,1]=3 650 B14R1.536 CN[C@@H](Cc1ccc(cc1)O)C(=O)O TS52002 [0,2,0,0,0,0|0,0,0]=2 651 B14R1.536 COC(Cc1ccc(cc1)Cl)C(=O)O TS85363 [0,2,0,0,0,0|1,0,0]=3 652 B14R1.686 Cc1ccc(cc1C)CC(C(=O)O)N TS17675 [0,2,0,0,0,0|0,0,0]=2 653 B14R1.686 Cc1ccc(cc1C)C[C@@H](C(=O)O)N TS51667 [0,2,0,0,0,0|0,0,0]=2 654 B14R1.686 c1cc(c(cc1CC(=O)C(=O)O)O)O TS18184 [0,2,0,0,0,0|1,0,1]=4 655 B14R1.686 c1cc(c(cc1CC(C(=O)O)N)Br)Br TS61746 [0,2,0,0,0,0|0,0,0]=2 656 B14R1.686 c1cc(c(cc1CC(C(=O)O)N)Br)O TS29425 [0,2,0,0,0,0|0,0,0]=2 657 B14R1.686 c1cc(c(cc1CC(C(=O)O)N)Cl)Cl TS65744 [0,2,0,0,0,0|0,0,0]=2 658 B14R1.686 c1cc(c(cc1CC(C(=O)O)N)Cl)F TS49323 [0,2,0,0,0,0|0,0,0]=2 659 B14R1.686 c1cc(c(cc1CC(C(=O)O)N)F)F TS19178 [0,2,0,0,0,0|0,0,0]=2 660 B14R1.686 c1cc(c(cc1CC(C(=O)O)N)F)O TS37707 [0,2,0,0,0,0|0,0,0]=2 661 B14R1.686 c1cc(c(cc1CC(C(=O)O)N)O)O TS18433 [0,2,0,0,0,0|0,0,0]=2 662 B14R1.686 c1cc(c(cc1C[C@@H](C(=O)O)N)Br)O TS29426 [0,2,0,0,0,0|0,0,0]=2 663 B14R1.686 c1cc(c(cc1C[C@@H](C(=O)O)N)Cl)Cl TS65742 [0,2,0,0,0,0|0,0,0]=2 664 B14R1.686 c1cc(c(cc1C[C@@H](C(=O)O)N)Cl)O TS21923 [0,2,0,0,0,0|0,0,0]=2 665 B14R1.686 c1cc(c(cc1C[C@@H](C(=O)O)N)Cl)O TS63073 [0,2,0,0,0,0|0,0,0]=2 666 B14R1.686 c1cc(c(cc1C[C@@H](C(=O)O)N)F)O TS37708 [0,2,0,0,0,0|0,0,0]=2 667 B14R1.686 c1cc(c(cc1C[C@@H](C(=O)O)N)I)O TS70637 [0,2,0,0,0,0|0,0,0]=2 668 B14R1.686 c1cc(c(cc1C[C@@H](C(=O)O)N)N)O TS18248 [0,2,0,0,0,0|0,0,0]=2 669 B14R1.686 c1cc(c(cc1C[C@@H](C(=O)O)N)N)O TS73845 [0,2,0,0,0,0|0,0,0]=2 670 B14R1.686 c1cc(c(cc1C[C@@H](C(=O)O)N)O)O TS00122 [0,2,0,0,0,0|0,0,0]=2 671 B14R1.686 c1cc(c(cc1C[C@H](C(=O)O)N)Cl)Cl TS65741 [0,2,0,0,0,0|0,0,0]=2 672 B14R1.686 c1cc(c(cc1C[C@H](C(=O)O)N)F)O TS37710 [0,2,0,0,0,0|0,0,0]=2 673 B14R1.686 c1cc(c(cc1C[C@H](C(=O)O)N)O)O TS18430 [0,2,0,0,0,0|0,0,0]=2 674 B14R1.686 c1cc(c(cc1C[C@H](C(=O)[O-])O)O)O TS49725 [0,2,0,0,0,0|1,0,1]=4 675 B14R1.686 c1cn(cc(c1=O)O)C[C@@H](C(=O)O)N TS53980 [0,2,0,0,0,0|1,0,0]=3 676 B14R1.6049 CC(C(=O)O)Oc1ccc(cc1Cl)Cl TS25688 [0,2,0,0,0,0|2,0,0]=4 677 B14R1.6049 Cc1cc(ccc1CC(C(=O)O)N)O TS18061 [0,2,0,0,0,0|0,0,0]=2 678 B14R1.6049 Cc1cc(ccc1OC(C)C(=O)O)Cl TS21787 [0,2,0,0,0,0|2,0,0]=4 679 B14R1.6049 Cc1cc(ccc1O[C@H](C)C(=O)O)Cl TS21782 [0,2,0,0,0,0|2,0,0]=4 680 B14R1.6049 Cc1ccc(c(c1)C)CC(C(=O)O)N TS17672 [0,2,0,0,0,0|0,0,0]=2 681 B14R1.6049 Cc1ccc(c(c1)C)C[C@@H](C(=O)O)N TS51669 [0,2,0,0,0,0|0,0,0]=2 682 B14R1.6049 Cc1ccc(c(c1)C)C[C@H](C(=O)O)N TS51675 [0,2,0,0,0,0|0,0,0]=2 683 B14R1.6049 c1cc(c(cc1Cl)Cl)CC(C(=O)O)N TS53561 [0,2,0,0,0,0|0,0,0]=2 684 B14R1.6049 c1cc(c(cc1Cl)Cl)C[C@@H](C(=O)O)N TS25478 [0,2,0,0,0,0|0,0,0]=2 685 B14R1.6049 c1cc(c(cc1Cl)Cl)C[C@H](C(=O)O)N TS47213 [0,2,0,0,0,0|0,0,0]=2 686 B14R1.6049 c1cc(c(cc1F)F)CC(C(=O)O)N TS38070 [0,2,0,0,0,0|0,0,0]=2 687 B14R1.6049 c1cc(c(cc1F)F)C[C@@H](C(=O)O)N TS38074 [0,2,0,0,0,0|0,0,0]=2 688 B14R1.6049 c1cc(c(cc1F)F)C[C@H](C(=O)O)N TS38068 [0,2,0,0,0,0|0,0,0]=2 689 B14R1.6049 c1cc(c(cc1O)F)C[C@@H](C(=O)O)N TS37706 [0,2,0,0,0,0|0,0,0]=2 690 B14R1.6049 c1cc(c(cc1O)O)C[C@@H](C(=O)O)N TS53829 [0,2,0,0,0,0|0,0,0]=2 691 B14R1.6049 c1cn(c(=O)[nH]c1=O)C[C@@H](C(=O)O)N TS37700 [0,2,0,0,0,0|2,0,0]=4 692 B14R1.7626 CC(C)(C(=O)O)Oc1ccc(cc1)Cl TS21783 [0,2,0,0,0,0|2,0,0]=4 693 B14R1.7626 CC(C)(C(=O)O)Oc1ccc(cc1)F TS18588 [0,2,0,0,0,0|2,0,0]=4 694 B14R1.7626 CC(C)(C(=O)O)Oc1ccc(cc1)N TS59910 [0,2,0,0,0,0|2,0,0]=4 695 B14R1.7626 C[C@](Cc1ccc(cc1)O)(C(=O)O)N TS51999 [0,2,0,0,0,0|0,0,0]=2 696 B14R1.60 CCOC(=O)C(Cc1ccccn1)N TS17884 [0,2,0,0,0,0|1,0,0]=3 697 B14R1.60 CCOC(=O)[C@H](Cc1ccccc1)N TS24788 [0,2,0,0,0,0|0,0,0]=2 698 B14R1.85 COC(=O)[C@@H]([C@H](c1ccccc1)N)O TS08008 [0,2,0,0,0,0|1,0,0]=3 699 B14R1.85 COC(=O)[C@@H]([C@H](c1ccccc1)O)O TS18228 [0,2,0,0,0,0|1,0,0]=3 700 B14R1.85 COC(=O)[C@H]([C@@H](c1ccccc1)O)O TS53650 [0,2,0,0,0,0|1,0,0]=3 701 B14R1.135 COC(=O)[C@@H](Cc1cccc(c1)F)N TS25450 [0,2,0,0,0,0|0,0,0]=2 702 B14R1.1031 CN[C@@H](Cc1ccccc1)C(=O)OC TS52907 [0,2,0,0,0,0|0,0,0]=2 703 B14R1.1031 COC(=O)C(Cc1ccccc1)[N+]#[C-] TS50920 [0,2,0,0,0,0|0,0,1]=3 704 B14R1.1107 CC(Cc1ccccc1)(C(=O)OC)N TS24789 [0,2,0,0,0,0|0,0,0]=2 705 B14R1.75 COc1cccc(c1)CC(C(=O)O)N TS18070 [0,2,0,0,0,0|0,0,0]=2 706 B14R1.75 COc1cccc(c1)C[C@@H](C(=O)O)N TS52004 [0,2,0,0,0,0|0,0,0]=2 707 B14R1.75 c1cc(cc(c1)C#N)CC(C(=O)O)N TS51097 [0,2,0,0,0,0|0,0,0]=2 708 B14R1.75 c1cc(cc(c1)C#N)C[C@@H](C(=O)O)N TS02726 [0,2,0,0,0,0|0,0,0]=2 709 B14R1.75 c1cc(cc(c1)C#N)C[C@H](C(=O)O)N TS51087 [0,2,0,0,0,0|0,0,0]=2 710 B14R1.153 Cc1cccc(c1C)CC(C(=O)O)N TS51659 [0,2,0,0,0,0|0,0,0]=2 711 B14R1.153 c1cc(c(c(c1)Cl)Cl)CC(C(=O)O)N TS25484 [0,2,0,0,0,0|0,0,0]=2 712 B14R1.153 c1cc(c(c(c1)F)F)CC(C(=O)O)N TS19177 [0,2,0,0,0,0|0,0,0]=2 713 B14R1.153 c1cc(c(c(c1)F)F)C[C@@H](C(=O)O)N TS38077 [0,2,0,0,0,0|0,0,0]=2 714 B14R1.153 c1cc(c(c(c1)F)F)C[C@H](C(=O)O)N TS38066 [0,2,0,0,0,0|0,0,0]=2 715 B14R1.153 c1cc(c(c(c1)O)O)C[C@@H](C(=O)O)N TS53837 [0,2,0,0,0,0|0,0,0]=2 716 B14R1.542 CCC(Cc1cccc(c1)O)C(=O)O TS51819 [0,2,0,0,0,0|1,0,0]=3 717 B14R1.4257 Cc1cc(cc(c1)Br)CC(C(=O)O)N TS68084 [0,2,0,0,0,0|0,0,0]=2 718 B14R1.4257 Cc1cc(cc(c1)CC(C(=O)O)N)C TS17679 [0,2,0,0,0,0|0,0,0]=2 719 B14R1.4257 Cc1cc(cc(c1)F)CC(C(=O)O)N TS18436 [0,2,0,0,0,0|0,0,0]=2 720 B14R1.4257 Cc1cc(cc(c1)NC(C)C(=O)O)C TS51668 [0,2,0,0,0,0|2,0,0]=4 721 B14R1.4257 c1c(cc(cc1Cl)Cl)C[C@@H](C(=O)O)N TS25486 [0,2,0,0,0,0|0,0,0]=2 722 B14R1.4257 c1c(cc(cc1F)F)C[C@H](C(=O)O)N TS38076 [0,2,0,0,0,0|0,0,0]=2 723 B14R1.4404 CC(Cc1cccc(c1)O)(C(=O)O)N TS52013 [0,2,0,0,0,0|0,0,0]=2 724 B14R1.4474 Cc1ccc(c(c1)CC(C(=O)O)N)C TS17699 [0,2,0,0,0,0|0,0,0]=2 725 B14R1.4474 Cc1ccc(c(c1)C[C@@H](C(=O)O)N)C TS17674 [0,2,0,0,0,0|0,0,0]=2 726 B14R1.4474 c1cc(c(cc1Cl)CC(C(=O)O)N)Cl TS25475 [0,2,0,0,0,0|0,0,0]=2 727 B14R1.4474 c1cc(c(cc1Cl)C[C@@H](C(=O)O)N)Cl TS25482 [0,2,0,0,0,0|0,0,0]=2 728 B14R1.4474 c1cc(c(cc1Cl)C[C@H](C(=O)O)N)Cl TS25477 [0,2,0,0,0,0|0,0,0]=2 729 B14R1.4474 c1cc(c(cc1F)CC(C(=O)O)N)F TS38071 [0,2,0,0,0,0|0,0,0]=2 730 B14R1.4474 c1cc(c(cc1F)C[C@@H](C(=O)O)N)F TS38073 [0,2,0,0,0,0|0,0,0]=2 731 B14R1.4474 c1cc(c(cc1F)C[C@H](C(=O)O)N)F TS38069 [0,2,0,0,0,0|0,0,0]=2 732 B14R1.3135 COc1ccccc1CC(C(=O)O)N TS18048 [0,2,0,0,0,0|0,0,0]=2 733 B14R1.3135 COc1ccccc1C[C@@H](C(=O)O)N TS52023 [0,2,0,0,0,0|0,0,0]=2 734 B14R1.3135 [2H]Cc1ccccc1C[C@@H](C(=O)O)N TS14425 [0,2,0,0,0,0|0,0,0]=2 735 B14R1.3135 [2H]Oc1ccccc1C[C@@H](C(=O)O)N TS48094 [0,2,0,0,0,0|0,0,0]=2 736 B14R1.3135 c1ccc(c(c1)CC(C(=O)O)N)C#N TS17072 [0,2,0,0,0,0|0,0,0]=2 737 B14R1.3135 c1ccc(c(c1)C[C@@H](C(=O)O)N)C#N TS51082 [0,2,0,0,0,0|0,0,0]=2 738 B14R1.3135 c1ccc(c(c1)C[C@H](C(=O)O)N)C#N TS17095 [0,2,0,0,0,0|0,0,0]=2 739 B14R1.5971 Cc1cccc(c1CC(C(=O)O)N)C TS51677 [0,2,0,0,0,0|0,0,0]=2 740 B14R1.5971 c1cc(c(c(c1)Cl)CC(C(=O)O)N)Cl TS53559 [0,2,0,0,0,0|0,0,0]=2 741 B14R1.5971 c1cc(c(c(c1)Cl)CC(C(=O)O)N)F TS49324 [0,2,0,0,0,0|0,0,0]=2 742 B14R1.5971 c1cc(c(c(c1)Cl)C[C@@H](C(=O)O)N)Cl TS25485 [0,2,0,0,0,0|0,0,0]=2 743 B14R1.5971 c1cc(c(c(c1)F)C[C@H](C(=O)O)N)F TS38072 [0,2,0,0,0,0|0,0,0]=2 744 B14R1.980 [2H]CN[C@@H](Cc1ccccc1)C(=O)O TS14407 [0,2,0,0,0,0|0,0,0]=2 745 B14R1.980 c1ccc(cc1)CC(C(=O)O)NC=O TS17660 [0,2,0,0,0,0|0,0,0]=2 746 B14R1.980 c1ccc(cc1)C[C@@H](C(=O)O)NC=O TS17659 [0,2,0,0,0,0|0,0,0]=2 747 B14R1.4513 CN(C)[C@@H](Cc1ccccc1)C(=O)O TS51665 [0,2,0,0,0,0|0,0,0]=2 748 B14R1.4513 C[C@H]([C@@H](Cc1ccccc1)C(=O)O)O TS51838 [0,2,0,0,0,0|1,0,0]=3 749 B14R1.4513 c1ccc(cc1)CC(C(=O)O)C(=O)O TS17805 [0,2,0,0,0,0|1,0,0]=3 750 B14R1.8844 [2H]C[C@](Cc1ccccc1)(C(=O)O)N TS14424 [0,2,0,0,0,0|0,0,0]=2 751 B12R2.18 CC1Cc2ccccc2C1=O TS07227 [1,0,0,1,0,0|1,0,0]=3 752 B12R2.18 c1ccc2c(c1)CC(=O)C2=O TS07174 [1,0,0,1,0,0|1,0,1]=4 753 B12R2.18 c1ccc2c(c1)CC(C2=O)Br TS21064 [1,0,0,1,0,0|1,0,0]=3 754 B12R2.18 c1ccc2c(c1)CC(C2=O)I TS68074 [1,0,0,1,0,0|1,0,0]=3 755 B12R2.18 c1ccc2c(c1)CC(C2O)Br TS55072 [1,0,0,1,0,0|1,0,1]=4 756 B12R2.18 c1ccc2c(c1)CC(C2O)N TS48806 [1,0,0,1,0,0|0,0,1]=3 757 B12R2.18 c1ccc2c(c1)C[C@@H]([C@@H]2O)O TS09875 [1,0,0,1,0,0|1,0,1]=4 758 B12R2.18 c1ccc2c(c1)C[C@@H]([C@H]2O)Cl TS44951 [1,0,0,1,0,0|1,0,1]=4 759 B12R2.18 c1ccc2c(c1)C[C@H]([C@@H]2O)Br TS21447 [1,0,0,1,0,0|1,0,1]=4 760 B12R2.24 c1ccc2c(c1)CC(CN2)N TS40678 [1,0,0,1,0,0|1,0,1]=4 761 B12R2.24 c1ccc2c(c1)CC(CO2)N TS40753 [1,0,0,1,0,0|0,0,1]=3 762 B12R2.24 c1ccc2c(c1)CC(CO2)N TS48810 [1,0,0,1,0,0|0,0,1]=3 763 B12R2.24 c1ccc2c(c1)CC(CS2)N TS12090 [1,0,0,1,0,0|0,1,1]=4 764 B12R2.24 c1ccc2c(c1)CCC(C2)N TS08739 [1,0,0,1,0,0|1,0,1]=4 765 B12R2.24 c1ccc2c(c1)CCC(C2)N TS46761 [1,0,0,1,0,0|1,0,1]=4 766 B12R2.24 c1ccc2c(c1)CC[C@@H](C2)N TS07859 [1,0,0,1,0,0|1,0,1]=4 767 B12R2.27 c1ccc(cc1)C2=NC2C=O TS07087 [1,0,0,1,0,0|0,0,2]=4 768 B12R2.27 c1ccc(cc1)[C@@H]2[C@H](O2)CO TS09858 [1,0,0,1,0,0|1,0,1]=4 769 B12R2.27 c1ccc(cc1)[C@H]2[C@@H](O2)CO TS40848 [1,0,0,1,0,0|1,0,1]=4 770 B12R2.32 c1ccc2c(c1)CC(N2)CO TS40762 [1,0,0,1,0,0|0,0,1]=3 771 B12R2.32 c1ccc2c(c1)C[C@H](N2)CO TS40740 [1,0,0,1,0,0|0,0,1]=3 772 B12R2.32 c1ccc2c(c1)[nH]c(n2)C=O TS46946 [1,0,0,1,0,0|1,0,1]=4 773 B12R2.32 c1ccc2c(c1)cc([nH]2)C=O TS59905 [1,0,0,1,0,0|0,0,2]=4 774 B12R2.22 c1ccc(cc1)C2CC(=O)C2 TS89513 [1,0,0,1,0,0|1,0,0]=3 775 B12R2.22 c1ccc(cc1)C2CC(=O)N2 TS40527 [1,0,0,1,0,0|1,0,0]=3 776 B12R2.3190 c1ccc2c(c1)CC2C(=O)O TS39585 [1,0,0,1,0,0|0,0,0]=2 777 B12R2.252 c1csc2c1CC(C2)C(=O)O TS71342 [0,0,0,1,1,0|2,0,0]=4 778 B14R2.19 c1ccc(cc1)C[C@@H]2COC(=S)N2 TS51691 [0,0,0,1,0,1|1,1,0]=4 779 B14R2.19 c1ccc(cc1)C[C@H]2COC(=O)N2 TS94228 [0,0,0,1,0,1|1,0,0]=3 780 B14R2.19 c1ccc(cc1)C[C@H]2COC(=S)N2 TS51695 [0,0,0,1,0,1|1,1,0]=4 781 B14R2.19 c1ccc(cc1)C[C@H]2CSC(=O)N2 TS51694 [0,0,0,1,0,1|1,1,0]=4 782 B14R2.598 C[C@@H]1[C@@H](OC(=N1)N)c2ccccc2 TS46137 [0,0,0,1,0,1|2,0,0]=4 783 B14R2.598 C[C@@H]1[C@@H](OC(=O)N1)c2ccccc2 TS59856 [0,0,0,1,0,1|1,0,0]=3 784 B14R2.598 C[C@H]1[C@H](OC(=O)N1)c2ccccc2 TS14028 [0,0,0,1,0,1|1,0,0]=3 785 B14R2.598 c1ccc(cc1)C2C(=O)NC(=O)O2 TS13985 [0,0,0,1,0,1|1,0,1]=4 786 B14R2.768 c1ccc2c(c1)CC(=CC(=O)O)C2 TS13501 [0,0,0,1,0,1|1,0,1]=4 787 B14R2.768 c1ccc2c(c1)[nH]c(n2)CC(=O)O TS46490 [0,0,0,1,0,1|1,0,1]=4 788 B14R2.768 c1ccc2c(c1)cc([nH]2)CC(=O)O TS01487 [0,0,0,1,0,1|0,0,2]=4 789 B14R2.260 CC1C(=O)OC(=N1)c2ccccc2 TS45942 [0,0,0,1,0,1|1,0,1]=4 790 B14R2.260 CC1CN(NC1=O)c2ccccc2 TS47019 [0,0,0,1,0,1|2,0,0]=4 791 B14R2.741 c1ccc2c(c1)CCC(C(=O)N2)Br TS39707 [0,0,0,1,0,1|2,0,0]=4 792 B14R2.741 c1ccc2c(c1)CCC(C(=O)N2)Cl TS53563 [0,0,0,1,0,1|2,0,0]=4 793 B14R2.741 c1ccc2c(c1)CCC(C(=O)N2)N TS65838 [0,0,0,1,0,1|1,0,0]=3 794 B14R2.741 c1ccc2c(c1)CC[C@@H](C(=O)N2)N TS13877 [0,0,0,1,0,1|1,0,0]=3 795 B14R2.741 c1ccc2c(c1)CC[C@H](C(=O)N2)N TS46130 [0,0,0,1,0,1|1,0,0]=3 796 B14R2.781 CC(=O)C1COc2ccccc2O1 TS60191 [0,0,0,1,0,1|2,0,0]=4 797 B14R2.781 c1ccc2c(c1)C=C(CO2)C(=O)O TS46062 [0,0,0,1,0,1|1,0,1]=4 798 B14R2.781 c1ccc2c(c1)CC(CN2)C(=O)O TS00339 [0,0,0,1,0,1|1,0,0]=3 799 B14R2.781 c1ccc2c(c1)CC(CO2)C(=O)Cl TS53767 [0,0,0,1,0,1|2,0,0]=4 800 B14R2.781 c1ccc2c(c1)CC(CO2)C(=O)O TS14170 [0,0,0,1,0,1|1,0,0]=3 801 B14R2.781 c1ccc2c(c1)CC(NC2)C(=O)N TS85271 [0,0,0,1,0,1|2,0,0]=4 802 B14R2.781 c1ccc2c(c1)CCC(C2)C(=O)O TS46760 [0,0,0,1,0,1|1,0,0]=3 803 B14R2.781 c1ccc2c(c1)CCC(N2)C(=O)O TS46278 [0,0,0,1,0,1|0,0,0]=2 804 B14R2.781 c1ccc2c(c1)CCC(O2)C(=O)O TS47505 [0,0,0,1,0,1|1,0,0]=3 805 B14R2.781 c1ccc2c(c1)CC[C@@H](N2)C(=O)O TS21566 [0,0,0,1,0,1|0,0,0]=2 806 B14R2.781 c1ccc2c(c1)CC[C@@H](N2)C(=O)O TS46268 [0,0,0,1,0,1|0,0,0]=2 807 B14R2.781 c1ccc2c(c1)CC[C@H](N2)C(=O)O TS44407 [0,0,0,1,0,1|0,0,0]=2 808 B14R2.781 c1ccc2c(c1)CC[C@H](N2)C(=O)O TS46270 [0,0,0,1,0,1|0,0,0]=2 809 B14R2.781 c1ccc2c(c1)C[C@@H](NC2)C(=O)N TS46121 [0,0,0,1,0,1|2,0,0]=4 810 B14R2.781 c1ccc2c(c1)C[C@@H](NC2)C(=O)O TS59664 [0,0,0,1,0,1|1,0,0]=3 811 B14R2.781 c1ccc2c(c1)C[C@H](NC2)C(=O)N TS13876 [0,0,0,1,0,1|2,0,0]=4 812 B14R2.781 c1ccc2c(c1)C[C@H](NC2)C(=O)O TS08110 [0,0,0,1,0,1|1,0,0]=3 813 B14R2.781 c1ccc2c(c1)C[C@H](NC2)C(=O)O TS29158 [0,0,0,1,0,1|1,0,0]=3 814 B14R2.781 c1ccc2c(c1)C[C@H](NC2)C(=O)O TS59650 [0,0,0,1,0,1|1,0,0]=3 815 B14R2.781 c1ccc2c(c1)NCC(O2)C(=O)O TS47697 [0,0,0,1,0,1|1,0,0]=3 816 B14R2.781 c1ccc2c(c1)OCC(O2)C(=O)O TS07897 [0,0,0,1,0,1|1,0,0]=3 817 B14R2.781 c1ccc2c(c1)OC[C@@H](O2)C(=O)O TS00213 [0,0,0,1,0,1|1,0,0]=3 818 B14R2.781 c1ccc2c(c1)OC[C@H](O2)C(=O)O TS33127 [0,0,0,1,0,1|1,0,0]=3 819 B14R2.4529 Cc1ccc2c(c1)cc([nH]2)C(=O)O TS13662 [0,1,0,1,0,0|0,0,2]=4 820 B14R2.4529 c1cc(cc2c1cc([nH]2)C(=O)O)Br TS39537 [0,1,0,1,0,0|0,0,2]=4 821 B14R2.4529 c1cc(cc2c1cc([nH]2)C(=O)O)Cl TS08437 [0,1,0,1,0,0|0,0,2]=4 822 B14R2.4529 c1cc(cc2c1cc([nH]2)C(=O)O)F TS02275 [0,1,0,1,0,0|0,0,2]=4 823 B14R2.4529 c1cc(cc2c1cc([nH]2)C(=O)O)O TS13990 [0,1,0,1,0,0|0,0,2]=4 824 B14R2.4529 c1cc2c(cc1Br)cc([nH]2)C(=O)O TS16790 [0,1,0,1,0,0|0,0,2]=4 825 B14R2.4529 c1cc2c(cc1Br)nc([nH]2)C(=O)O TS57493 [0,1,0,1,0,0|1,0,1]=4 826 B14R2.4529 c1cc2c(cc1Cl)[nH]c(n2)C(=O)O TS53761 [0,1,0,1,0,0|1,0,1]=4 827 B14R2.4529 c1cc2c(cc1F)[nH]c(n2)C(=O)O TS01221 [0,1,0,1,0,0|1,0,1]=4 828 B14R2.4529 c1cc2c(cc1F)cc([nH]2)C(=O)O TS03320 [0,1,0,1,0,0|0,0,2]=4 829 B14R2.4529 c1cc2c(cc1N)cc([nH]2)C(=O)O TS46082 [0,1,0,1,0,0|0,0,2]=4 830 B14R2.4529 c1cc2c(cc1N)nc([nH]2)C(=O)O TS44400 [0,1,0,1,0,0|1,0,1]=4 831 B14R2.4529 c1cc2c(cc1O)cc([nH]2)C(=O)O TS13993 [0,1,0,1,0,0|0,0,2]=4 832 B14R2.8239 c1cc2c(cc1Cl)NC(=O)C(C2)N TS18367 [0,1,0,1,0,0|1,0,0]=3 833 B14R2.30 c1ccc(cc1)CC2CCCC2=O TS45814 [0,1,0,1,0,0|2,0,0]=4 834 B14R2.972 COC(=O)C1Cc2ccccc2N1 TS46274 [0,1,0,1,0,0|0,0,0]=2 835 B14R2.972 COC(=O)c1[nH]c2ccccc2n1 TS13829 [0,1,0,1,0,0|1,0,1]=4 836 B14R2.972 COC(=O)c1cc2ccccc2[nH]1 TS45932 [0,1,0,1,0,0|0,0,2]=4 837 B14R2.7969 Cc1cccc2c1[nH]c(c2)C(=O)O TS13659 [0,1,0,1,0,0|0,0,2]=4 838 B14R2.7969 Cc1cccc2c1cc([nH]2)C(=O)O TS07814 [0,1,0,1,0,0|0,0,2]=4 839 B14R2.7969 Cc1cccc2c1nc([nH]2)C(=O)O TS71224 [0,1,0,1,0,0|1,0,1]=4 840 B14R2.7969 c1cc2c(cc([nH]2)C(=O)O)c(c1)Br TS70939 [0,1,0,1,0,0|0,0,2]=4 841 B14R2.7969 c1cc2c(cc([nH]2)C(=O)O)c(c1)Cl TS18129 [0,1,0,1,0,0|0,0,2]=4 842 B14R2.7969 c1cc2c(cc([nH]2)C(=O)O)c(c1)F TS39507 [0,1,0,1,0,0|0,0,2]=4 843 B14R2.7969 c1cc2cc([nH]c2c(c1)Br)C(=O)O TS55656 [0,1,0,1,0,0|0,0,2]=4 844 B14R2.7969 c1cc2cc([nH]c2c(c1)N)C(=O)O TS13805 [0,1,0,1,0,0|0,0,2]=4 845 B14R2.7969 c1cc2cc([nH]c2c(c1)O)C(=O)O TS13988 [0,1,0,1,0,0|0,0,2]=4 846 B14R2.450 CC1=C(Cc2c1cccc2)C(=O)O TS13486 [0,1,0,1,0,0|1,0,1]=4 847 B14R2.450 Cc1c2ccccc2[nH]c1C(=O)O TS13673 [0,1,0,1,0,0|0,0,2]=4 848 B14R2.450 Cn1c2ccccc2cc1C(=O)O TS00473 [0,1,0,1,0,0|0,0,2]=4 849 B14R2.450 Cn1c2ccccc2nc1C(=O)O TS08696 [0,1,0,1,0,0|1,0,1]=4 850 B14R2.450 c1ccc2c(c1)c(c([nH]2)C(=O)O)I TS54989 [0,1,0,1,0,0|0,0,2]=4 851 B14R2.450 c1ccc2c(c1)c(c([nH]2)C(=O)O)O TS46246 [0,1,0,1,0,0|0,0,2]=4 852 B14R2.450 c1ccc2c(c1)c(c(s2)C(=O)O)N TS51650 [0,1,0,1,0,0|1,0,1]=4 853 B14R2.789 c1ccc2c(c1)CC(C2)(C(=O)O)N TS08804 [0,1,0,1,0,0|0,0,0]=2 854 B14R2.5443 Cc1ccccc1[C@@H]2C[C@H]2C(=O)O TS13853 [0,1,0,1,0,0|1,0,0]=3 855 B10R1.15 C=CC(c1ccccc1)Cl TS41223 [1,0,0,0,1,0|2,0,0]=4 856 B10R1.15 C=CC(c1ccccc1)O TS36829 [1,0,0,0,1,0|2,0,0]=4 857 B10R1.15 C=C[C@@H](c1ccccc1)O TS36848 [1,0,0,0,1,0|2,0,0]=4 858 B10R1.15 C=C[C@H](c1ccccc1)O TS36828 [1,0,0,0,1,0|2,0,0]=4 859 B10R1.15 CC(CO)c1ccccc1 TS06093 [1,0,0,0,1,0|1,0,1]=4 860 B10R1.15 CCC(c1ccccc1)N TS36947 [1,0,0,0,1,0|1,0,1]=4 861 B10R1.15 CC[C@H](c1ccccc1)N TS46586 [1,0,0,0,1,0|1,0,1]=4 862 B10R1.15 CN(C=O)c1ccccc1 TS36925 [1,0,0,0,1,0|2,0,0]=4 863 B10R1.15 C[C@@H](CO)c1ccccc1 TS37012 [1,0,0,0,1,0|1,0,1]=4 864 B10R1.15 C[C@@H](c1ccccc1)NO TS37112 [1,0,0,0,1,0|2,0,0]=4 865 B10R1.15 C[C@H](CO)c1ccccc1 TS37011 [1,0,0,0,1,0|1,0,1]=4 866 B10R1.15 C[C@H](c1ccccc1)NO TS06188 [1,0,0,0,1,0|2,0,0]=4 867 B10R1.15 c1ccc(cc1)C(=O)C=O TS36799 [1,0,0,0,1,0|1,0,1]=4 868 B10R1.15 c1ccc(cc1)C(C#N)N TS22755 [1,0,0,0,1,0|1,0,1]=4 869 B10R1.15 c1ccc(cc1)C(CN)N TS37030 [1,0,0,0,1,0|1,0,1]=4 870 B10R1.15 c1ccc(cc1)C(CO)N TS37105 [1,0,0,0,1,0|0,0,1]=3 871 B10R1.15 c1ccc(cc1)C(CO)O TS06242 [1,0,0,0,1,0|1,0,1]=4 872 B10R1.15 c1ccc(cc1)[C@@H](CO)N TS06187 [1,0,0,0,1,0|0,0,1]=3 873 B10R1.15 c1ccc(cc1)[C@@H](CO)O TS08646 [1,0,0,0,1,0|1,0,1]=4 874 B10R1.15 c1ccc(cc1)[C@H](CO)N TS00302 [1,0,0,0,1,0|0,0,1]=3 875 B10R1.15 c1ccc(cc1)[C@H](CO)O TS59488 [1,0,0,0,1,0|1,0,1]=4 876 B10R1.66 c1c(nc[nH]1)CCC(=O)O TS37352 [1,0,0,0,1,0|2,0,0]=4 877 B10R1.66 c1c[nH]cc1CCC(=O)O TS06358 [1,0,0,0,1,0|1,0,0]=3 878 B10R1.66 c1cc([nH]c1)CCC(=O)O TS02495 [1,0,0,0,1,0|1,0,0]=3 879 B10R1.66 c1cc(oc1)CCC(=O)O TS37339 [1,0,0,0,1,0|1,0,0]=3 880 B10R1.66 c1cc(sc1)CCC(=O)O TS41627 [1,0,0,0,1,0|1,0,0]=3 881 B10R1.66 c1cn(cn1)CCC(=O)O TS08836 [1,0,0,0,1,0|2,0,0]=4 882 B10R1.66 c1cnc([nH]1)CCC(=O)O TS08837 [1,0,0,0,1,0|2,0,0]=4 883 B10R1.66 c1csc(n1)CCC(=O)O TS41784 [1,0,0,0,1,0|2,0,0]=4 884 B10R1.23 c1cc(oc1)C(C(=O)O)N TS06573 [0,0,0,0,2,0|1,0,0]=3 885 B10R1.23 c1cc(sc1)C(C(=O)O)N TS41779 [0,0,0,0,2,0|1,0,0]=3 886 B10R1.23 c1cc(sc1)[C@@H](C(=O)O)N TS41781 [0,0,0,0,2,0|1,0,0]=3 887 B10R1.23 c1cc(sc1)[C@H](C(=O)O)N TS08075 [0,0,0,0,2,0|1,0,0]=3 888 B10R1.23 c1cscc1C(C(=O)O)N TS16452 [0,0,0,0,2,0|1,0,0]=3 889 B10R1.23 c1cscc1[C@@H](C(=O)O)N TS41778 [0,0,0,0,2,0|1,0,0]=3 890 B10R1.23 c1cscc1[C@H](C(=O)O)N TS41780 [0,0,0,0,2,0|1,0,0]=3 891 B12R1.252 CC(=O)CSCc1ccccc1 TS14651 [1,0,0,0,0,1|1,0,0]=3 892 B12R1.252 CC(=O)NCCc1ccccc1 TS42602 [1,0,0,0,0,1|1,0,0]=3 893 B12R1.252 CC(=O)OCCc1ccccc1 TS11854 [1,0,0,0,0,1|1,0,0]=3 894 B12R1.252 C[C@@H](COCc1ccccc1)O TS43107 [1,0,0,0,0,1|1,0,1]=4 895 B12R1.252 C[C@H](COCc1ccccc1)O TS43112 [1,0,0,0,0,1|1,0,1]=4 896 B12R1.252 c1ccc(cc1)C=CCC(=O)O TS11546 [1,0,0,0,0,1|0,0,1]=3 897 B12R1.252 c1ccc(cc1)CCCC(=O)Cl TS48364 [1,0,0,0,0,1|1,0,0]=3 898 B12R1.252 c1ccc(cc1)COCC(=O)Cl TS55761 [1,0,0,0,0,1|1,0,0]=3 899 B12R1.252 c1ccc(cc1)COCC(=O)O TS09024 [1,0,0,0,0,1|0,0,0]=2 900 B12R1.252 c1ccc(cc1)CONC(=O)N TS09026 [1,0,0,0,0,1|2,0,0]=4 901 B12R1.252 c1ccc(cc1)CSCC(=O)N TS14831 [1,0,0,0,0,1|1,0,0]=3 902 B12R1.252 c1ccc(cc1)CSCC(=O)O TS15003 [1,0,0,0,0,1|0,0,0]=2 903 B12R1.252 c1ccc(cc1)NCCC(=O)N TS11897 [1,0,0,0,0,1|1,0,0]=3 904 B12R1.252 c1ccc(cc1)NCCC(=O)O TS42898 [1,0,0,0,0,1|0,0,0]=2 905 B12R1.252 c1ccc(cc1)OCCC(=O)O TS43043 [1,0,0,0,0,1|0,0,0]=2 906 B12R1.252 c1ccc(cc1)SCCC(=O)O TS15008 [1,0,0,0,0,1|0,0,0]=2 907 B12R1.252 c1ccnc(c1)NCCC(=O)O TS12214 [1,0,0,0,0,1|1,0,0]=3 908 B12R1.252 c1cnccc1CCCC(=O)O TS38168 [1,0,0,0,0,1|1,0,0]=3 909 B12R1.260 c1cc(oc1)C[C@@H](CC(=O)O)N TS44998 [0,0,0,0,1,1|1,0,0]=3 910 B12R1.260 c1cc(oc1)C[C@H](CC(=O)O)N TS44988 [0,0,0,0,1,1|1,0,0]=3 911 B12R1.260 c1cscc1C[C@@H](CC(=O)O)N TS50025 [0,0,0,0,1,1|1,0,0]=3 912 B12R1.260 c1cscc1C[C@H](CC(=O)O)N TS50024 [0,0,0,0,1,1|1,0,0]=3 913 B14R1.423 c1ccc(cc1)CC(=O)NCC(=O)O TS17643 [0,0,0,0,0,2|1,0,1]=4 914 B14R1.818 c1ccc(cc1)CCC(CC(=O)O)N TS17692 [0,0,0,0,0,2|0,0,0]=2 915 B14R1.6449 c1ccc(cc1)C=CC[C@@H](C(=O)O)N TS51305 [0,0,0,0,0,2|0,0,0]=2 916 B14R1.6449 c1ccc(cc1)C=CC[C@H](C(=O)O)N TS17301 [0,0,0,0,0,2|0,0,0]=2 917 B14R1.6449 c1ccc(cc1)CCC[C@@H](C(=O)O)N TS51662 [0,0,0,0,0,2|0,0,0]=2 918 B14R1.6449 c1ccc(cc1)CCC[C@H](C(=O)O)N TS51660 [0,0,0,0,0,2|0,0,0]=2 919 B14R1.6449 c1ccc(cc1)CNC[C@@H](C(=O)O)N TS17890 [0,0,0,0,0,2|0,0,0]=2 920 B14R1.6449 c1ccc(cc1)CNC[C@H](C(=O)O)N TS17885 [0,0,0,0,0,2|0,0,0]=2 921 B14R1.6449 c1ccc(cc1)COCC(C(=O)O)N TS52018 [0,0,0,0,0,2|0,0,0]=2 922 B14R1.6449 c1ccc(cc1)COC[C@@H](C(=O)O)N TS59330 [0,0,0,0,0,2|0,0,0]=2 923 B14R1.6449 c1ccc(cc1)COC[C@H](C(=O)O)N TS52009 [0,0,0,0,0,2|0,0,0]=2