0 B13R1.450 CCOC(=O)c1cc(cc(c1)C)C TS47549 [0,0,0,0,0,0|3,0,0]=3 1 B13R1.450 CCOC(=O)c1cc(cc(c1)Cl)Cl TS22542 [0,0,0,0,0,0|1,0,0]=1 2 B13R1.450 CCOC(=O)c1cc(cc(c1)I)Br TS79282 [0,0,0,0,0,0|1,2,0]=3 3 B13R1.450 CCOC(=O)c1cc(cc(c1)N)N TS47932 [0,0,0,0,0,0|3,0,0]=3 4 B13R1.450 CCOC(=O)c1cc(cc(c1)O)O TS48229 [0,0,0,0,0,0|3,0,0]=3 5 B13R1.450 CCOC(=O)c1cc(nc(n1)Cl)C TS19117 [0,0,0,0,0,0|2,0,0]=2 6 B13R1.450 CCOC(=O)c1cc(nc(n1)O)C TS48243 [0,0,0,0,0,0|3,0,0]=3 7 B12R1.17 CCCC(=O)c1cccc(c1)C TS42482 [1,0,0,0,0,0|3,0,0]=4 8 B12R1.17 CCOC(=O)c1cc(ccn1)Br TS09613 [1,0,0,0,0,0|2,1,0]=4 9 B12R1.17 CCOC(=O)c1cc(ccn1)N TS88120 [1,0,0,0,0,0|3,0,0]=4 10 B12R1.17 CCOC(=O)c1cc(cnc1)Br TS09809 [1,0,0,0,0,0|2,1,0]=4 11 B12R1.17 CCOC(=O)c1cc(cnc1)C TS12010 [1,0,0,0,0,0|3,0,0]=4 12 B12R1.17 CCOC(=O)c1cc(cnc1)F TS64890 [1,0,0,0,0,0|2,1,0]=4 13 B12R1.17 CCOC(=O)c1cc(ncn1)Cl TS87829 [1,0,0,0,0,0|1,0,0]=2 14 B12R1.17 CCOC(=O)c1cccc(c1)Br TS08510 [1,0,0,0,0,0|1,1,0]=3 15 B12R1.17 CCOC(=O)c1cccc(c1)C TS11846 [1,0,0,0,0,0|2,0,0]=3 16 B12R1.17 CCOC(=O)c1cccc(c1)Cl TS15385 [1,0,0,0,0,0|1,0,0]=2 17 B12R1.17 CCOC(=O)c1cccc(c1)F TS44848 [1,0,0,0,0,0|1,1,0]=3 18 B12R1.17 CCOC(=O)c1cccc(c1)I TS31079 [1,0,0,0,0,0|1,1,0]=3 19 B12R1.17 CCOC(=O)c1cccc(c1)N TS08509 [1,0,0,0,0,0|2,0,0]=3 20 B12R1.17 CCOC(=O)c1cccc(c1)N TS29672 [1,0,0,0,0,0|2,0,0]=3 21 B12R1.17 CCOC(=O)c1cccc(c1)O TS12170 [1,0,0,0,0,0|2,0,0]=3 22 B12R1.17 CCOC(=O)c1cccc(c1)[Zn+] TS64290 [1,0,0,0,0,0|2,0,0]=3 23 B12R1.17 CCOC(=O)c1cccc(n1)Br TS08519 [1,0,0,0,0,0|2,1,0]=4 24 B12R1.17 CCOC(=O)c1ccnc(c1)Br TS24818 [1,0,0,0,0,0|0,1,0]=2 25 B12R1.17 CCOC(=O)c1ccnc(c1)Cl TS55913 [1,0,0,0,0,0|0,0,0]=1 26 B12R1.17 CCOC(=O)c1ccnc(c1)N TS47474 [1,0,0,0,0,0|1,0,0]=2 27 B12R1.358 CCC(=O)c1cc(cc(c1)Cl)Cl TS94244 [1,0,0,0,0,0|1,0,0]=2 28 B12R1.358 CCC(=O)c1cc(cc(c1)F)F TS45101 [1,0,0,0,0,0|1,2,0]=4 29 B12R1.358 COC(=O)c1cc(cc(c1)Br)Br TS58435 [1,0,0,0,0,0|1,2,0]=4 30 B12R1.358 COC(=O)c1cc(cc(c1)Br)F TS53411 [1,0,0,0,0,0|1,2,0]=4 31 B12R1.358 COC(=O)c1cc(cc(c1)Cl)Cl TS19906 [1,0,0,0,0,0|1,0,0]=2 32 B12R1.358 COC(=O)c1cc(cc(c1)I)N TS31199 [1,0,0,0,0,0|2,1,0]=4 33 B12R1.358 COC(=O)c1cc(cc(c1)N)N TS12228 [1,0,0,0,0,0|3,0,0]=4 34 B12R1.358 COC(=O)c1cc(cc(c1)O)O TS12481 [1,0,0,0,0,0|3,0,0]=4 35 B12R1.358 COC(=O)c1cc(nc(c1)Br)Br TS89645 [1,0,0,0,0,0|0,2,0]=3 36 B12R1.358 COC(=O)c1cc(nc(c1)Cl)Cl TS39898 [1,0,0,0,0,0|0,0,0]=1 37 B12R1.358 COC(=O)c1cc(nc(n1)Cl)Cl TS56238 [1,0,0,0,0,0|1,0,0]=2 38 B12R1.358 Cc1cc(cc(c1)C(=O)OC)C TS11866 [1,0,0,0,0,0|3,0,0]=4 39 B12R1.358 Cc1cc(cc(n1)Br)C(=O)OC TS85232 [1,0,0,0,0,0|1,1,0]=3 40 B12R1.358 Cc1cc(cc(n1)Cl)C(=O)OC TS56250 [1,0,0,0,0,0|1,0,0]=2 41 B12R1.358 Cc1cc(nc(n1)Cl)C(=O)OC TS15727 [1,0,0,0,0,0|2,0,0]=3 42 B12R1.358 c1c(cc(cc1Cl)Cl)C(=O)NN TS38748 [1,0,0,0,0,0|3,0,0]=4 43 B14R1.605 CCOC(=O)c1cc(cc(c1)Br)OC TS93909 [0,1,0,0,0,0|2,1,0]=4 44 B14R1.6821 CCOC(=O)c1cc(c(c(c1)C)N)C TS51653 [0,1,0,0,0,0|3,0,0]=4 45 B14R1.6821 CCOC(=O)c1cc(c(c(c1)Cl)N)Cl TS25481 [0,1,0,0,0,0|1,0,0]=2 46 B14R1.6821 CCOC(=O)c1cc(c(c(c1)Cl)O)Cl TS25682 [0,1,0,0,0,0|1,0,0]=2 47 B14R1.6821 CCOC(=O)c1cc(c(c(c1)I)N)Br TS66803 [0,1,0,0,0,0|1,2,0]=4 48 B14R1.6821 CCOC(=O)c1cc(c(c(c1)I)N)I TS81612 [0,1,0,0,0,0|1,2,0]=4 49 B14R1.6821 CCOC(=O)c1cc(c(c(c1)O)O)O TS53973 [0,1,0,0,0,0|3,0,0]=4 50 B14R1.18985 CCOC(=O)c1cc(cc(c1Cl)N)Cl TS25487 [0,1,0,0,0,0|2,0,0]=3 51 B14R1.18985 CCOC(=O)c1cc(cc(c1O)Cl)Cl TS25683 [0,1,0,0,0,0|1,0,0]=2 52 B14R2.8045 c1c(cc(c2c1C(=O)CCC2)Cl)Cl TS21825 [0,0,0,1,0,0|2,0,0]=3 53 B14R2.8045 c1c(cc(c2c1C(=O)NCC2)Cl)Cl TS21974 [0,0,0,1,0,0|2,0,0]=3 54 B12R1.313 CCOC(=O)c1c(nc(o1)C)C TS44995 [0,0,0,0,1,0|3,0,0]=4 55 B12R1.313 CCOC(=O)c1c(nc(s1)Br)C TS08336 [0,0,0,0,1,0|2,1,0]=4 56 B12R1.313 CCOC(=O)c1c(nc(s1)C)C TS08487 [0,0,0,0,1,0|3,0,0]=4 57 B12R1.313 CCOC(=O)c1c(nc(s1)C)O TS03107 [0,0,0,0,1,0|3,0,0]=4 58 B12R1.313 CCOC(=O)c1c(nc(s1)Cl)C TS59768 [0,0,0,0,1,0|2,0,0]=3 59 B12R1.313 CCOC(=O)c1c(nc(s1)N)C TS08489 [0,0,0,0,1,0|3,0,0]=4 60 B12R1.313 CCOC(=O)c1c(nc(s1)N)C TS23591 [0,0,0,0,1,0|3,0,0]=4 61 B12R1.313 CCOC(=O)c1cc([nH]c1N)C TS88578 [0,0,0,0,1,0|2,0,1]=4 62 B12R1.313 CCOC(=O)c1cc(nn1C)C TS55888 [0,0,0,0,1,0|3,0,0]=4 63 B12R1.313 CCOC(=O)c1cc(oc1C)C TS44864 [0,0,0,0,1,0|3,0,0]=4 64 B12R1.313 CCOC(=O)c1cc(sc1Br)Br TS61117 [0,0,0,0,1,0|1,2,0]=4 65 B12R1.313 CCOC(=O)c1cc(sc1N)C TS48752 [0,0,0,0,1,0|3,0,0]=4 66 B12R1.313 CCOC(=O)c1cn(nc1C)C TS12537 [0,0,0,0,1,0|3,0,0]=4 67 B12R1.313 CCOC(=O)c1cn(nc1N)C TS12673 [0,0,0,0,1,0|3,0,0]=4 68 B12R1.314 CCOC(=O)c1cc(c(o1)C)C TS44859 [0,0,0,0,1,0|3,0,0]=4 69 B14R1.952 CCOC(=O)Cc1cc(cc(c1)C)C TS17526 [0,0,0,0,0,1|3,0,0]=4 70 B14R1.952 CCOC(=O)Cc1cc(nc(n1)C)O TS18245 [0,0,0,0,0,1|3,0,0]=4 71 B11R1.16 CCCC(=O)c1ccccc1 TS40658 [2,0,0,0,0,0|2,0,0]=4 72 B11R1.16 CCNC(=O)c1ccccc1 TS07570 [2,0,0,0,0,0|2,0,0]=4 73 B11R1.16 CCOC(=N)c1ccccc1 TS39808 [2,0,0,0,0,0|2,0,0]=4 74 B11R1.16 CCOC(=O)c1ccccc1 TS40849 [2,0,0,0,0,0|1,0,0]=3 75 B11R1.16 CCOC(=O)c1ccccn1 TS08499 [2,0,0,0,0,0|2,0,0]=4 76 B11R1.16 CCOC(=O)c1cccnc1 TS41007 [2,0,0,0,0,0|2,0,0]=4 77 B11R1.16 CCOC(=O)c1ccncc1 TS01460 [2,0,0,0,0,0|0,0,0]=2 78 B11R1.16 CCOC(=O)c1ccncn1 TS55949 [2,0,0,0,0,0|1,0,0]=3 79 B11R1.16 c1ccc(cc1)C(=O)OCCl TS12930 [2,0,0,0,0,0|2,0,0]=4 80 B11R1.23 CCC(=O)c1cccc(c1)C TS40654 [2,0,0,0,0,0|2,0,0]=4 81 B11R1.23 CCC(=O)c1cccc(c1)Cl TS12612 [2,0,0,0,0,0|1,0,0]=3 82 B11R1.23 CCC(=O)c1cccc(c1)F TS02767 [2,0,0,0,0,0|1,1,0]=4 83 B11R1.23 CCC(=O)c1cccc(c1)N TS40743 [2,0,0,0,0,0|2,0,0]=4 84 B11R1.23 CCC(=O)c1cccc(c1)O TS02798 [2,0,0,0,0,0|2,0,0]=4 85 B11R1.23 CNC(=O)c1ccnc(c1)Br TS44645 [2,0,0,0,0,0|1,1,0]=4 86 B11R1.23 COC(=O)c1cc(ccn1)Cl TS56293 [2,0,0,0,0,0|2,0,0]=4 87 B11R1.23 COC(=O)c1cc(ccn1)Cl TS56295 [2,0,0,0,0,0|2,0,0]=4 88 B11R1.23 COC(=O)c1cc(nnc1)Cl TS90959 [2,0,0,0,0,0|1,0,0]=3 89 B11R1.23 COC(=O)c1cc[nH]c(=O)c1 TS41248 [2,0,0,0,0,0|1,0,1]=4 90 B11R1.23 COC(=O)c1cccc(c1)Br TS56266 [2,0,0,0,0,0|1,1,0]=4 91 B11R1.23 COC(=O)c1cccc(c1)Cl TS12918 [2,0,0,0,0,0|1,0,0]=3 92 B11R1.23 COC(=O)c1cccc(c1)F TS41351 [2,0,0,0,0,0|1,1,0]=4 93 B11R1.23 COC(=O)c1cccc(c1)I TS70627 [2,0,0,0,0,0|1,1,0]=4 94 B11R1.23 COC(=O)c1cccc(c1)N TS10028 [2,0,0,0,0,0|2,0,0]=4 95 B11R1.23 COC(=O)c1cccc(c1)O TS10128 [2,0,0,0,0,0|2,0,0]=4 96 B11R1.23 COC(=O)c1cccc(n1)Cl TS34580 [2,0,0,0,0,0|2,0,0]=4 97 B11R1.23 COC(=O)c1ccnc(c1)Br TS00847 [2,0,0,0,0,0|0,1,0]=3 98 B11R1.23 COC(=O)c1ccnc(c1)Cl TS56251 [2,0,0,0,0,0|0,0,0]=2 99 B11R1.23 COC(=O)c1ccnc(c1)F TS32975 [2,0,0,0,0,0|0,1,0]=3 100 B11R1.23 COC(=O)c1ccnc(c1)I TS68679 [2,0,0,0,0,0|0,1,0]=3 101 B11R1.23 COC(=O)c1ccnc(c1)N TS10155 [2,0,0,0,0,0|1,0,0]=3 102 B11R1.23 COC(=O)c1ccnc(n1)Cl TS88958 [2,0,0,0,0,0|1,0,0]=3 103 B11R1.23 Cc1cc(ncn1)C(=O)OC TS90103 [2,0,0,0,0,0|2,0,0]=4 104 B11R1.23 Cc1cccc(c1)C(=O)OC TS09871 [2,0,0,0,0,0|2,0,0]=4 105 B11R1.23 c1cc(cc(c1)Cl)C(=O)CBr TS00836 [2,0,0,0,0,0|2,0,0]=4 106 B11R1.23 c1cc(cc(c1)Cl)C(=O)CCl TS50852 [2,0,0,0,0,0|2,0,0]=4 107 B11R1.23 c1cc(cc(c1)Cl)C(=O)CN TS20094 [2,0,0,0,0,0|2,0,0]=4 108 B11R1.23 c1cc(cc(c1)Cl)C(=O)OO TS02719 [2,0,0,0,0,0|2,0,0]=4 109 B11R1.23 c1cnc(cc1C(=O)CBr)Cl TS56563 [2,0,0,0,0,0|1,0,0]=3 110 B11R1.23 c1cnc(cc1C(=O)NN)Cl TS13080 [2,0,0,0,0,0|2,0,0]=4 111 B11R1.34 CCNc1cc(cc(c1)Cl)Cl TS16293 [2,0,0,0,0,0|2,0,0]=4 112 B11R1.34 CCOc1cc(cc(c1)Cl)F TS13592 [2,0,0,0,0,0|1,1,0]=4 113 B11R1.34 CCOc1cc(nc(n1)N)Cl TS09657 [2,0,0,0,0,0|2,0,0]=4 114 B11R1.74 B(c1cc(nc(c1)Cl)Cl)(O)O TS17394 [2,0,0,0,0,0|1,0,1]=4 115 B11R1.74 CC(=O)c1cc(cc(c1)Cl)Cl TS65783 [2,0,0,0,0,0|1,0,0]=3 116 B11R1.74 CC(=O)c1cc(cc(c1)Cl)F TS09350 [2,0,0,0,0,0|1,1,0]=4 117 B11R1.74 Cc1cc(cc(n1)C)C(=O)O TS10020 [2,0,0,0,0,0|2,0,0]=4 118 B11R1.74 Cc1cc(cc(n1)Cl)C(=O)Cl TS07938 [2,0,0,0,0,0|2,0,0]=4 119 B11R1.74 Cc1cc(cc(n1)Cl)C(=O)O TS00932 [2,0,0,0,0,0|1,0,0]=3 120 B11R1.74 Cc1cc(cc(n1)N)C(=O)O TS88197 [2,0,0,0,0,0|2,0,0]=4 121 B11R1.74 c1c(cc(cc1Cl)Br)C(=O)O TS32930 [2,0,0,0,0,0|1,1,0]=4 122 B11R1.74 c1c(cc(cc1Cl)Cl)C(=O)Cl TS20795 [2,0,0,0,0,0|2,0,0]=4 123 B11R1.74 c1c(cc(cc1Cl)Cl)C(=O)N TS16277 [2,0,0,0,0,0|2,0,0]=4 124 B11R1.74 c1c(cc(cc1Cl)Cl)C(=O)O TS00127 [2,0,0,0,0,0|1,0,0]=3 125 B11R1.74 c1c(cc(cc1Cl)I)C(=O)O TS09359 [2,0,0,0,0,0|1,1,0]=4 126 B11R1.74 c1c(cc(cc1F)Cl)C(=O)O TS09353 [2,0,0,0,0,0|1,1,0]=4 127 B11R1.74 c1c(cc(cc1N)Cl)C(=O)O TS22769 [2,0,0,0,0,0|2,0,0]=4 128 B11R1.74 c1c(cc(cc1O)Cl)C(=O)O TS13254 [2,0,0,0,0,0|2,0,0]=4 129 B11R1.74 c1c(cc(nc1Br)Br)C(=O)O TS00696 [2,0,0,0,0,0|0,2,0]=4 130 B11R1.74 c1c(cc(nc1Cl)Cl)C(=O)Cl TS43888 [2,0,0,0,0,0|1,0,0]=3 131 B11R1.74 c1c(cc(nc1Cl)Cl)C(=O)O TS47303 [2,0,0,0,0,0|0,0,0]=2 132 B11R1.74 c1c(cc(nc1Cl)Cl)C(=S)N TS20312 [2,0,0,0,0,0|1,1,0]=4 133 B11R1.74 c1c(cc(nc1Cl)Cl)[N+](=O)[O-] TS17593 [2,0,0,0,0,0|1,0,1]=4 134 B11R1.74 c1c(cc(nc1F)F)C(=O)O TS11096 [2,0,0,0,0,0|0,2,0]=4 135 B11R1.74 c1c(cc(nc1O)Cl)C(=O)N TS13262 [2,0,0,0,0,0|2,0,0]=4 136 B11R1.74 c1c(cc(nc1O)O)C(=O)O TS10558 [2,0,0,0,0,0|2,0,0]=4 137 B11R1.74 c1c(nc(nc1Cl)Cl)C(=O)Cl TS60243 [2,0,0,0,0,0|2,0,0]=4 138 B13R1.12 CCOC(=O)c1c(c(ncn1)Cl)Br TS88354 [1,1,0,0,0,0|1,0,0]=3 139 B13R1.12 CCOC(=O)c1cccc(c1O)O TS48225 [1,1,0,0,0,0|2,0,0]=4 140 B13R1.12 CCOC(=O)c1ccnc(c1C)C TS47728 [1,1,0,0,0,0|1,0,0]=3 141 B13R1.446 CCOC(=O)c1cc(ccc1C)Br TS26967 [1,1,0,0,0,0|1,1,0]=4 142 B13R1.446 CCOC(=O)c1cc(ccc1C)C TS14232 [1,1,0,0,0,0|2,0,0]=4 143 B13R1.446 CCOC(=O)c1cc(ccc1C)I TS58068 [1,1,0,0,0,0|1,1,0]=4 144 B13R1.446 CCOC(=O)c1cc(ccc1Cl)Cl TS22536 [1,1,0,0,0,0|1,0,0]=3 145 B13R1.446 CCOC(=O)c1cc(ccc1F)N TS48412 [1,1,0,0,0,0|2,0,0]=4 146 B13R1.446 CCOC(=O)c1cc(ccc1N)Br TS27098 [1,1,0,0,0,0|1,1,0]=4 147 B13R1.446 CCOC(=O)c1cc(ccc1N)Cl TS37791 [1,1,0,0,0,0|1,0,0]=3 148 B13R1.446 CCOC(=O)c1cc(ccc1N)I TS58145 [1,1,0,0,0,0|1,1,0]=4 149 B13R1.446 CCOC(=O)c1cc(ccc1O)Br TS62113 [1,1,0,0,0,0|1,1,0]=4 150 B13R1.446 CCOC(=O)c1cc(ccc1O)I TS35479 [1,1,0,0,0,0|1,1,0]=4 151 B13R1.460 CCOC(=O)c1cccc(c1)CCl TS54129 [1,1,0,0,0,0|1,0,0]=3 152 B13R1.460 CCOC(=O)c1cccc(c1)NN TS55923 [1,1,0,0,0,0|2,0,0]=4 153 B13R1.460 CCOC(=O)c1cccc(c1)OC TS14577 [1,1,0,0,0,0|2,0,0]=4 154 B13R1.460 CCOC(=O)c1ccnc(c1)CN TS85092 [1,1,0,0,0,0|1,0,0]=3 155 B13R1.460 CCOC(=O)c1ccnc(c1)OC TS14763 [1,1,0,0,0,0|1,0,0]=3 156 B13R1.460 CCOC(=O)c1ccnc(n1)SC TS54039 [1,1,0,0,0,0|2,0,0]=4 157 B13R1.466 CCOC(=O)c1cc(c(nc1)Cl)Cl TS49704 [1,1,0,0,0,0|2,0,0]=4 158 B13R1.466 CCOC(=O)c1ccc(c(c1)Br)F TS62395 [1,1,0,0,0,0|1,1,0]=4 159 B13R1.466 CCOC(=O)c1ccc(c(c1)Br)N TS61959 [1,1,0,0,0,0|1,1,0]=4 160 B13R1.466 CCOC(=O)c1ccc(c(c1)Br)O TS27263 [1,1,0,0,0,0|1,1,0]=4 161 B13R1.466 CCOC(=O)c1ccc(c(c1)C)Br TS33047 [1,1,0,0,0,0|2,0,0]=4 162 B13R1.466 CCOC(=O)c1ccc(c(c1)C)N TS85101 [1,1,0,0,0,0|2,0,0]=4 163 B13R1.466 CCOC(=O)c1ccc(c(c1)Cl)N TS37804 [1,1,0,0,0,0|1,0,0]=3 164 B13R1.466 CCOC(=O)c1ccc(c(c1)F)F TS48851 [1,1,0,0,0,0|1,1,0]=4 165 B13R1.466 CCOC(=O)c1ccc(c(c1)F)N TS65213 [1,1,0,0,0,0|1,1,0]=4 166 B13R1.466 CCOC(=O)c1ccc(c(c1)I)C TS58065 [1,1,0,0,0,0|1,1,0]=4 167 B13R1.466 CCOC(=O)c1ccc(c(c1)I)N TS58141 [1,1,0,0,0,0|1,1,0]=4 168 B13R1.466 CCOC(=O)c1ccc(c(c1)I)O TS35480 [1,1,0,0,0,0|1,1,0]=4 169 B13R1.466 CCOC(=O)c1ccc(c(c1)N)F TS48414 [1,1,0,0,0,0|2,0,0]=4 170 B13R1.466 CCOC(=O)c1ccc(c(c1)N)N TS47924 [1,1,0,0,0,0|2,0,0]=4 171 B13R1.466 CCOC(=O)c1ccc(c(c1)O)I TS58255 [1,1,0,0,0,0|2,0,0]=4 172 B13R1.466 CCOC(=O)c1ccc(c(c1)O)O TS14929 [1,1,0,0,0,0|2,0,0]=4 173 B13R1.2678 COC(=O)c1cc(c(c(c1)Cl)O)Cl TS23228 [1,1,0,0,0,0|1,0,0]=3 174 B13R1.2678 c1c(cc(c(c1Cl)N)Cl)C(=O)CBr TS34491 [1,1,0,0,0,0|2,0,0]=4 175 B13R1.4789 CCC(=O)c1cc(cc(c1O)Cl)Cl TS22539 [1,1,0,0,0,0|1,0,0]=3 176 B13R1.4789 COC(=O)c1cc(cc(c1Cl)N)Cl TS49706 [1,1,0,0,0,0|2,0,0]=4 177 B13R1.4789 COC(=O)c1cc(cc(c1N)I)Cl TS60956 [1,1,0,0,0,0|1,1,0]=4 178 B13R1.4789 COC(=O)c1cc(cc(c1O)N)Cl TS65075 [1,1,0,0,0,0|2,0,0]=4 179 B13R1.4789 COC(=O)c1cc(nc(c1N)Cl)Cl TS08567 [1,1,0,0,0,0|0,0,0]=2 180 B13R1.4789 c1c(cc(c(c1C(=O)CBr)O)Cl)Cl TS34684 [1,1,0,0,0,0|2,0,0]=4 181 B15R1.766 CCOC(=O)Cn1cc(c(=O)c(c1)Cl)Cl TS62800 [0,1,0,0,0,1|2,0,0]=4 182 B15R1.3941 CCOC(=O)C(=O)c1cc(cc(c1)Cl)F TS53084 [0,1,0,0,0,1|1,1,0]=4 183 B15R1.5924 CCCOC(=O)c1cc(c(c(c1)Cl)O)Cl TS62669 [0,2,0,0,0,0|1,0,0]=3 184 B15R1.5451 CC(C)(C)OC(=O)c1cc(cc(c1)Cl)Cl TS62410 [0,2,0,0,0,0|1,0,0]=3 185 B15R1.5451 CC(C)(C)OC(=O)c1cc(nc(c1)Cl)Cl TS62526 [0,2,0,0,0,0|0,0,0]=2 186 B15R1.36498 CCOC(=O)c1cc(c(c(c1)Cl)OC)Cl TS62668 [0,2,0,0,0,0|1,0,0]=3 187 B15R1.36507 CCOC(=O)c1cc(nc(c1C#N)Cl)C TS52105 [0,2,0,0,0,0|1,0,0]=3 188 B15R1.36507 CCOC(=O)c1cc(nc(c1C#N)S)C TS50148 [0,2,0,0,0,0|2,0,0]=4 189 B15R1.37153 CCOC(=O)c1c(c(nc(c1F)F)N)F TS49724 [0,2,0,0,0,0|1,1,0]=4 190 B13R2.162 c1c2c(cnc1Cl)CCCC2=O TS94333 [1,0,0,1,0,0|1,0,0]=3 191 B13R2.162 c1cc2c(cc1Cl)C(=O)CCC2 TS85144 [1,0,0,1,0,0|2,0,0]=4 192 B13R2.162 c1cc2c(cc1Cl)C(=O)NCC2 TS14849 [1,0,0,1,0,0|2,0,0]=4 193 B13R2.342 c1cc2c(c(c1)Cl)CCCC2=O TS59723 [1,0,0,1,0,0|2,0,0]=4 194 B13R2.342 c1cc2c(c(c1)Cl)CCNC2=O TS14850 [1,0,0,1,0,0|2,0,0]=4 195 B13R2.328 c1c(cc(c2c1C=CCC2)Cl)Cl TS54159 [1,0,0,1,0,0|2,0,0]=4 196 B13R2.3742 c1c(cc(c2c1C(=O)CC2)Cl)Cl TS38032 [1,0,0,1,0,0|1,0,0]=3 197 B13R2.3742 c1c(cc(c2c1C(=O)CC2)Cl)F TS48653 [1,0,0,1,0,0|1,1,0]=4 198 B13R2.3742 c1c(cc(c2c1C(=O)CO2)Cl)Cl TS38371 [1,0,0,1,0,0|2,0,0]=4 199 B11R1.15 CCOC(=O)c1cc(c[nH]1)Br TS16548 [1,0,0,0,1,0|1,1,0]=4 200 B11R1.15 CCOC(=O)c1cc(c[nH]1)C TS32819 [1,0,0,0,1,0|2,0,0]=4 201 B11R1.15 CCOC(=O)c1cc(c[nH]1)N TS65113 [1,0,0,0,1,0|2,0,0]=4 202 B11R1.15 CCOC(=O)c1cc(cs1)C TS94883 [1,0,0,0,1,0|2,0,0]=4 203 B11R1.15 CCOC(=O)c1cc(n[nH]1)C TS41374 [1,0,0,0,1,0|2,0,0]=4 204 B11R1.15 CCOC(=O)c1cc(sc1)Br TS56618 [1,0,0,0,1,0|1,1,0]=4 205 B11R1.15 CCOC(=O)c1ccc([nH]1)C TS02261 [1,0,0,0,1,0|2,0,0]=4 206 B11R1.15 CCOC(=O)c1ccc(s1)Br TS71472 [1,0,0,0,1,0|1,1,0]=4 207 B11R1.15 CCOC(=O)c1ccc(s1)Cl TS60123 [1,0,0,0,1,0|1,0,0]=3 208 B11R1.15 CCOC(=O)c1cnc([nH]1)N TS10576 [1,0,0,0,1,0|2,0,0]=4 209 B11R1.15 CCOC(=O)c1cnc(o1)N TS41587 [1,0,0,0,1,0|2,0,0]=4 210 B11R1.15 CCOC(=O)c1cnc(s1)Br TS55908 [1,0,0,0,1,0|1,1,0]=4 211 B11R1.15 CCOC(=O)c1cnc(s1)C TS55922 [1,0,0,0,1,0|2,0,0]=4 212 B11R1.15 CCOC(=O)c1cnc(s1)Cl TS55917 [1,0,0,0,1,0|1,0,0]=3 213 B11R1.15 CCOC(=O)c1cnc(s1)N TS08495 [1,0,0,0,1,0|2,0,0]=4 214 B11R1.15 CCOC(=O)c1cnn(c1)C TS87813 [1,0,0,0,1,0|2,0,0]=4 215 B11R1.15 CCOC(=O)c1coc(n1)Cl TS55915 [1,0,0,0,1,0|2,0,0]=4 216 B11R1.15 CCOC(=O)c1nnc(s1)Cl TS93983 [1,0,0,0,1,0|2,0,0]=4 217 B11R1.199 CCOC(=O)c1c(nco1)C TS33048 [1,0,0,0,1,0|2,0,0]=4 218 B11R1.199 CCOC(=O)c1c(ncs1)Br TS70982 [1,0,0,0,1,0|1,1,0]=4 219 B11R1.199 CCOC(=O)c1cc[nH]c1C TS55201 [1,0,0,0,1,0|1,0,1]=4 220 B11R1.199 CCOC(=O)c1ccnn1C TS41376 [1,0,0,0,1,0|2,0,0]=4 221 B11R1.199 CCOC(=O)c1ccoc1C TS10403 [1,0,0,0,1,0|2,0,0]=4 222 B11R1.199 CCOC(=O)c1ccsc1C TS12835 [1,0,0,0,1,0|2,0,0]=4 223 B11R1.199 CCOC(=O)c1ccsc1N TS08473 [1,0,0,0,1,0|2,0,0]=4 224 B11R1.199 CCOC(=O)c1conc1C TS41500 [1,0,0,0,1,0|2,0,0]=4 225 B11R1.199 CCOC(=O)c1csnc1C TS13017 [1,0,0,0,1,0|2,0,0]=4 226 B11R1.225 COC(=O)c1cc(sc1Cl)Cl TS43941 [1,0,0,0,1,0|1,0,0]=3 227 B11R1.225 Cn1c(cc(n1)Cl)C(=O)OC TS90613 [1,0,0,0,1,0|2,0,0]=4 228 B11R1.226 COC(=O)c1cc(c(s1)Cl)N TS02984 [1,0,0,0,1,0|2,0,0]=4 229 B11R1.226 c1c(c(sc1C(=O)CCl)Cl)Cl TS24769 [1,0,0,0,1,0|2,0,0]=4 230 B13R1.20 CCOC(=O)Cc1cc(ncn1)C TS89863 [1,0,0,0,0,1|2,0,0]=4 231 B13R1.20 CCOC(=O)Nc1cccc(c1)Cl TS37805 [1,0,0,0,0,1|1,0,0]=3 232 B13R1.20 CCOC(=O)Nc1cccc(c1)O TS77131 [1,0,0,0,0,1|2,0,0]=4 233 B13R1.20 CCOC(=O)Oc1cccc(c1)C TS47887 [1,0,0,0,0,1|2,0,0]=4 234 B13R1.1511 CCOC(=O)c1ccc(cc1Cl)Cl TS49545 [0,0,0,0,1,1|1,0,0]=3 235 B13R1.1511 CCOC(=O)c1ccc(nc1C)C TS47736 [0,0,0,0,1,1|2,0,0]=4 236 B13R1.1511 CCOC(=O)c1cnc(cc1Cl)Cl TS55937 [0,0,0,0,1,1|1,0,0]=3 237 B13R1.1511 CCOC(=O)c1cnc(nc1C)C TS14623 [0,0,0,0,1,1|2,0,0]=4 238 B13R1.1511 CCOC(=O)c1cnc(nc1Cl)C TS90759 [0,0,0,0,1,1|1,0,0]=3 239 B13R1.1511 CCOC(=O)c1cnc(nc1Cl)Cl TS90013 [0,0,0,0,1,1|0,0,0]=2 240 B13R1.1511 CCOC(=O)c1cnc(nc1N)N TS14949 [0,0,0,0,1,1|2,0,0]=4 241 B13R1.1511 CCOC(=O)c1cnc(nc1N)O TS60122 [0,0,0,0,1,1|2,0,0]=4 242 B13R1.1511 CCOC(=O)c1cnc(nc1N)S TS18821 [0,0,0,0,1,1|2,0,0]=4 243 B13R1.1511 CCOC(=O)c1cnc(nc1O)C TS14941 [0,0,0,0,1,1|2,0,0]=4 244 B13R1.1511 CCOC(=O)c1cnc(nc1O)N TS01767 [0,0,0,0,1,1|2,0,0]=4