0 B15R2.33 Cc1ccc(=O)n(c1)c2ccccc2 TS59358 [0,0,0,0,0,0|0,0,0]=0 1 B15R2.33 c1ccc(cc1)c2cc(ccc2Br)Br TS60967 [0,0,0,0,0,0|3,0,0]=3 2 B15R2.33 c1ccc(cc1)c2cc(ccc2O)O TS48883 [0,0,0,0,0,0|2,0,1]=3 3 B15R2.33 c1ccc(cc1)c2cc(ccc2O)O TS73998 [0,0,0,0,0,0|2,0,1]=3 4 B15R2.33 c1ccnc(c1)c2cc(ccc2Cl)N TS19880 [0,0,0,0,0,0|4,0,0]=4 5 B15R2.33 c1ccnc(c1)c2cc(ccc2Cl)O TS38884 [0,0,0,0,0,0|4,0,0]=4 6 B14R2.21 Cc1cc(ccn1)c2ccccc2 TS12703 [1,0,0,0,0,0|2,0,0]=3 7 B14R2.21 Cc1cc(cnc1)c2ccccc2 TS12693 [1,0,0,0,0,0|2,0,0]=3 8 B14R2.21 Cc1cc(cnn1)c2ccccc2 TS45143 [1,0,0,0,0,0|3,0,0]=4 9 B14R2.21 Cc1cccc(c1)c2ccccc2 TS85088 [1,0,0,0,0,0|1,0,0]=2 10 B14R2.21 Cc1cccc(n1)c2ccccc2 TS12702 [1,0,0,0,0,0|2,0,0]=3 11 B14R2.21 Cc1ccnc(c1)c2ccccc2 TS12691 [1,0,0,0,0,0|2,0,0]=3 12 B14R2.21 c1cc(cc(c1)N)c2cccnc2 TS39295 [1,0,0,0,0,0|3,0,0]=4 13 B14R2.21 c1cc(cc(c1)N)c2ccncc2 TS45136 [1,0,0,0,0,0|3,0,0]=4 14 B14R2.21 c1ccc(cc1)c2cc(ccn2)Cl TS16265 [1,0,0,0,0,0|3,0,0]=4 15 B14R2.21 c1ccc(cc1)c2cc(ccn2)N TS02970 [1,0,0,0,0,0|3,0,0]=4 16 B14R2.21 c1ccc(cc1)c2cc(ccn2)O TS13001 [1,0,0,0,0,0|3,0,0]=4 17 B14R2.21 c1ccc(cc1)c2cc(cnc2)Br TS65941 [1,0,0,0,0,0|3,0,0]=4 18 B14R2.21 c1ccc(cc1)c2cc(cnc2)Cl TS16260 [1,0,0,0,0,0|3,0,0]=4 19 B14R2.21 c1ccc(cc1)c2cc(cnc2)N TS02655 [1,0,0,0,0,0|3,0,0]=4 20 B14R2.21 c1ccc(cc1)c2cc(cnc2)O TS45305 [1,0,0,0,0,0|3,0,0]=4 21 B14R2.21 c1ccc(cc1)c2cccc(=O)[nH]2 TS45304 [1,0,0,0,0,0|3,0,0]=4 22 B14R2.21 c1ccc(cc1)c2cccc(c2)Br TS39709 [1,0,0,0,0,0|2,0,0]=3 23 B14R2.21 c1ccc(cc1)c2cccc(c2)Cl TS50839 [1,0,0,0,0,0|2,0,0]=3 24 B14R2.21 c1ccc(cc1)c2cccc(c2)I TS93517 [1,0,0,0,0,0|2,0,0]=3 25 B14R2.21 c1ccc(cc1)c2cccc(c2)N TS20077 [1,0,0,0,0,0|2,0,0]=3 26 B14R2.21 c1ccc(cc1)c2cccc(c2)N TS65878 [1,0,0,0,0,0|2,0,0]=3 27 B14R2.21 c1ccc(cc1)c2cccc(c2)O TS12817 [1,0,0,0,0,0|2,0,0]=3 28 B14R2.21 c1ccc(cc1)c2cccc(n2)Br TS08377 [1,0,0,0,0,0|3,0,0]=4 29 B14R2.21 c1ccc(cc1)c2cccc(n2)Cl TS16264 [1,0,0,0,0,0|3,0,0]=4 30 B14R2.21 c1ccc(cc1)c2cccc(n2)F TS07720 [1,0,0,0,0,0|3,0,0]=4 31 B14R2.21 c1ccc(cc1)c2cccc(n2)N TS45137 [1,0,0,0,0,0|3,0,0]=4 32 B14R2.21 c1ccc(cc1)c2cccn(=O)c2 TS13004 [1,0,0,0,0,0|3,0,0]=4 33 B14R2.21 c1ccc(cc1)c2ccnc(c2)Cl TS50986 [1,0,0,0,0,0|3,0,0]=4 34 B14R2.21 c1ccc(cc1)c2ccnc(c2)F TS45606 [1,0,0,0,0,0|3,0,0]=4 35 B14R2.21 c1ccc(cc1)c2ccnc(c2)N TS00758 [1,0,0,0,0,0|3,0,0]=4 36 B14R2.21 c1ccnc(c1)c2cccc(c2)Br TS47051 [1,0,0,0,0,0|3,0,0]=4 37 B14R2.21 c1ccnc(c1)c2cccc(c2)F TS45605 [1,0,0,0,0,0|3,0,0]=4 38 B14R2.24 Cc1c(cccn1)c2ccccc2 TS12700 [1,0,0,0,0,0|3,0,0]=4 39 B14R2.24 Cc1ccccc1c2ccccc2 TS12568 [1,0,0,0,0,0|2,0,0]=3 40 B14R2.24 Cc1cccnc1c2ccccc2 TS70661 [1,0,0,0,0,0|3,0,0]=4 41 B14R2.24 Cc1ccncc1c2ccccc2 TS39335 [1,0,0,0,0,0|3,0,0]=4 42 B14R2.24 Cc1cnccc1c2ccccc2 TS12699 [1,0,0,0,0,0|3,0,0]=4 43 B14R2.24 c1ccc(c(c1)c2ccccn2)N TS45148 [1,0,0,0,0,0|3,0,0]=4 44 B14R2.24 c1ccc(c(c1)c2cccnc2)N TS45141 [1,0,0,0,0,0|3,0,0]=4 45 B14R2.24 c1ccc(c(c1)c2ccncc2)N TS45139 [1,0,0,0,0,0|3,0,0]=4 46 B14R2.24 c1ccc(cc1)c2c(cccn2)Br TS56415 [1,0,0,0,0,0|3,0,0]=4 47 B14R2.24 c1ccc(cc1)c2c(cccn2)N TS02639 [1,0,0,0,0,0|3,0,0]=4 48 B14R2.24 c1ccc(cc1)c2c(cccn2)N TS20292 [1,0,0,0,0,0|3,0,0]=4 49 B14R2.24 c1ccc(cc1)c2c(cccn2)O TS45310 [1,0,0,0,0,0|2,0,1]=4 50 B14R2.24 c1ccc(cc1)c2cccc[n+]2[O-] TS45302 [1,0,0,0,0,0|2,0,1]=4 51 B14R2.24 c1ccc(cc1)c2ccccc2Br TS25349 [1,0,0,0,0,0|2,0,0]=3 52 B14R2.24 c1ccc(cc1)c2ccccc2Cl TS50840 [1,0,0,0,0,0|2,0,0]=3 53 B14R2.24 c1ccc(cc1)c2ccccc2F TS45451 [1,0,0,0,0,0|2,0,0]=3 54 B14R2.24 c1ccc(cc1)c2ccccc2I TS34167 [1,0,0,0,0,0|2,0,0]=3 55 B14R2.24 c1ccc(cc1)c2ccccc2N TS39643 [1,0,0,0,0,0|2,0,0]=3 56 B14R2.24 c1ccc(cc1)c2ccccc2S TS65645 [1,0,0,0,0,0|1,1,0]=3 57 B14R2.24 c1ccc(cc1)c2cccnc2Br TS56416 [1,0,0,0,0,0|3,0,0]=4 58 B14R2.24 c1ccc(cc1)c2cccnc2Cl TS16266 [1,0,0,0,0,0|3,0,0]=4 59 B14R2.24 c1ccc(cc1)c2cccnc2F TS45604 [1,0,0,0,0,0|3,0,0]=4 60 B14R2.24 c1ccc(cc1)c2cccnc2N TS02877 [1,0,0,0,0,0|3,0,0]=4 61 B14R2.24 c1ccc(cc1)c2cccnc2O TS45308 [1,0,0,0,0,0|2,0,1]=4 62 B14R2.24 c1ccc(cc1)c2ccncc2Br TS56417 [1,0,0,0,0,0|3,0,0]=4 63 B14R2.24 c1ccc(cc1)c2ccncc2Cl TS16261 [1,0,0,0,0,0|3,0,0]=4 64 B14R2.24 c1ccc(cc1)c2ccncc2O TS08985 [1,0,0,0,0,0|2,0,1]=4 65 B14R2.24 c1ccc(cc1)c2cnccc2Br TS56414 [1,0,0,0,0,0|3,0,0]=4 66 B14R2.24 c1ccc(cc1)c2cnccc2Cl TS16267 [1,0,0,0,0,0|3,0,0]=4 67 B14R2.24 c1ccnc(c1)c2ccccn2=O TS13157 [1,0,0,0,0,0|3,0,0]=4 68 B16R2.27 COc1ccc(c(c1)c2ccccc2)N TS18836 [0,1,0,0,0,0|2,0,0]=3 69 B16R2.314 c1ccc(cc1)c2c(ccc(c2Cl)Cl)Cl TS68045 [0,1,0,0,0,0|3,0,0]=4 70 B16R2.2443 COc1ccc(cc1c2ccccc2)N TS56726 [0,1,0,0,0,0|2,0,1]=4 71 B16R2.2859 Cc1ccc(cc1)C2=CC(=O)C=CC2=O TS18612 [0,1,0,0,0,0|2,0,0]=3 72 B16R2.2859 c1cc(ccc1c2cc(ccc2Br)Br)Br TS80736 [0,1,0,0,0,0|3,0,0]=4 73 B16R2.2859 c1cc(ccc1c2cc(ccc2Cl)Cl)Cl TS68037 [0,1,0,0,0,0|3,0,0]=4 74 B16R2.2911 Cc1cccc(c1)C2=CC(=O)C=CC2=O TS18617 [0,1,0,0,0,0|2,0,0]=3 75 B16R2.2911 c1cc(cc(c1)Br)c2cc(ccc2Br)Br TS80737 [0,1,0,0,0,0|3,0,0]=4 76 B16R2.2911 c1cc(cc(c1)Cl)c2cc(ccc2Cl)Cl TS68047 [0,1,0,0,0,0|3,0,0]=4 77 B16R2.2996 Cc1ccccc1C2=CC(=O)C=CC2=O TS18619 [0,1,0,0,0,0|2,0,0]=3 78 B16R2.2996 c1ccc(c(c1)c2cc(ccc2Br)Br)Br TS80735 [0,1,0,0,0,0|3,0,0]=4 79 B16R2.2996 c1ccc(c(c1)c2cc(ccc2Cl)Cl)Cl TS68039 [0,1,0,0,0,0|3,0,0]=4 80 B16R2.2996 c1ccc(c(c1)c2cc(ccc2O)O)Cl TS23197 [0,1,0,0,0,0|2,0,1]=4 81 B16R2.6164 c1ccc(cc1)c2cc(cc(c2Cl)Cl)Cl TS68048 [0,1,0,0,0,0|3,0,0]=4 82 B14R1.423 c1ccc(cc1)NC(=O)C=CC(=O)O TS51271 [0,0,1,0,0,0|2,0,0]=3 83 B16R3.2583 Cc1ccc2c(c1)c3ccccc3[nH]2 TS14820 [0,0,0,1,0,0|2,0,0]=3 84 B16R3.2583 Cc1ccc2c(c1)c3ccccc3o2 TS48278 [0,0,0,1,0,0|1,0,1]=3 85 B16R3.2583 Cc1ccc2c(c1)c3ccccc3s2 TS18671 [0,0,0,1,0,0|1,1,0]=3 86 B16R3.2583 Cc1ccc2c(c1)c3cccnc3[nH]2 TS93061 [0,0,0,1,0,0|3,0,0]=4 87 B16R3.2583 c1ccc2c(c1)c3cc(ccc3[nH]2)Br TS09475 [0,0,0,1,0,0|3,0,0]=4 88 B16R3.2583 c1ccc2c(c1)c3cc(ccc3[nH]2)I TS93420 [0,0,0,1,0,0|3,0,0]=4 89 B16R3.2583 c1ccc2c(c1)c3cc(ccc3o2)Br TS27569 [0,0,0,1,0,0|2,0,1]=4 90 B16R3.2583 c1ccc2c(c1)c3cc(ccc3s2)Br TS29895 [0,0,0,1,0,0|2,1,0]=4 91 B16R3.2583 c1ccc2c(c1)c3cc(ccc3s2)F TS19398 [0,0,0,1,0,0|2,1,0]=4 92 B14R2.277 Cc1ccc(n1c2ccccc2)C TS13036 [0,0,0,0,1,0|1,0,0]=2 93 B14R2.277 c1ccc(cc1)N2C(=O)C=CC2=O TS59315 [0,0,0,0,1,0|1,0,0]=2 94 B14R2.277 c1ccc(cc1)N2C(=O)CCC2=O TS45933 [0,0,0,0,1,0|1,0,2]=4 95 B14R2.277 c1ccc(cc1)N2C(=O)CNC2=O TS13821 [0,0,0,0,1,0|2,0,1]=4 96 B14R2.277 c1ccc(cc1)N2C(=O)CNC2=S TS17499 [0,0,0,0,1,0|2,0,1]=4 97 B14R2.277 c1ccc(cc1)N2C(=O)CSC2=O TS51647 [0,0,0,0,1,0|2,0,1]=4 98 B14R2.277 c1ccc(cc1)N2C(=O)CSC2=S TS43678 [0,0,0,0,1,0|2,0,1]=4 99 B14R2.277 c1ccc(cc1)N2C(=O)N=NC2=O TS09766 [0,0,0,0,1,0|3,0,0]=4 100 B14R2.277 c1ccc(cc1)n2c(=O)[nH][nH]c2=O TS46258 [0,0,0,0,1,0|3,0,0]=4 101 B14R2.598 CC1=NN(C(=O)C1)c2ccccc2 TS45786 [0,0,0,0,1,0|1,0,1]=3 102 B14R2.598 CC1CC(=O)N(N1)c2ccccc2 TS13878 [0,0,0,0,1,0|1,0,2]=4 103 B14R2.598 Cc1cc(n(n1)c2ccccc2)Br TS59720 [0,0,0,0,1,0|2,0,0]=3 104 B14R2.598 Cc1cc(n(n1)c2ccccc2)C TS13195 [0,0,0,0,1,0|2,0,0]=3 105 B14R2.598 Cc1cc(n(n1)c2ccccc2)Cl TS51567 [0,0,0,0,1,0|2,0,0]=3 106 B14R2.598 Cc1cc(n(n1)c2ccccc2)N TS13366 [0,0,0,0,1,0|2,0,0]=3 107 B14R2.598 c1ccc(cc1)C2=CC(=O)OC2=O TS45732 [0,0,0,0,1,0|3,0,0]=4 108 B14R2.598 c1ccc(cc1)N2C(=O)CC(=N2)N TS45952 [0,0,0,0,1,0|2,0,1]=4 109 B16R2.317 Cc1ccc(c(c1)Cc2ccccc2)O TS18650 [0,0,0,0,0,1|1,0,1]=3 110 B16R2.317 Cc1ccc(c(c1)Oc2ccccc2)F TS19392 [0,0,0,0,0,1|2,0,0]=3 111 B16R2.317 c1ccc(cc1)Cc2cc(ccc2O)Cl TS22515 [0,0,0,0,0,1|2,0,1]=4 112 B13R2.3 c1cc[n+](cc1)c2ccncc2 TS24679 [2,0,0,0,0,0|1,0,1]=4 113 B13R2.3 c1ccc(cc1)[n+]2ccccc2 TS17383 [2,0,0,0,0,0|0,0,1]=3 114 B13R2.3 c1ccc(cc1)c2ccccc2 TS13841 [2,0,0,0,0,0|1,0,0]=3 115 B13R2.3 c1ccc(cc1)c2ccccc2 TS65182 [2,0,0,0,0,0|1,0,0]=3 116 B13R2.3 c1ccc(cc1)c2ccccn2 TS02179 [2,0,0,0,0,0|2,0,0]=4 117 B13R2.3 c1ccc(cc1)c2ccccn2 TS94256 [2,0,0,0,0,0|2,0,0]=4 118 B13R2.3 c1ccc(cc1)c2cccnc2 TS32944 [2,0,0,0,0,0|2,0,0]=4 119 B13R2.3 c1ccc(cc1)c2ccncc2 TS10589 [2,0,0,0,0,0|2,0,0]=4 120 B15R1.111 c1cc(ccc1NC(=O)C=CC(=O)O)Br TS30748 [0,1,1,0,0,0|2,0,0]=4 121 B15R1.111 c1cc(ccc1NC(=O)C=CC(=O)O)Cl TS52233 [0,1,1,0,0,0|2,0,0]=4 122 B15R1.111 c1cc(ccc1NC(=O)C=CC(=O)O)F TS43597 [0,1,1,0,0,0|2,0,0]=4 123 B15R1.111 c1cc(ccc1NC(=O)C=CC(=O)O)I TS61326 [0,1,1,0,0,0|2,0,0]=4 124 B15R2.17 COc1cccc(c1)c2ccccc2 TS15291 [1,1,0,0,0,0|1,0,0]=3 125 B15R2.17 COc1cccc(c1)c2cccnc2 TS48734 [1,1,0,0,0,0|2,0,0]=4 126 B15R2.17 c1ccc(cc1)c2cccc(c2)C=O TS22824 [1,1,0,0,0,0|1,0,1]=4 127 B15R2.17 c1ccc(cc1)c2cccc(c2)CBr TS32923 [1,1,0,0,0,0|1,0,0]=3 128 B15R2.17 c1ccc(cc1)c2cccc(c2)CO TS48578 [1,1,0,0,0,0|1,0,0]=3 129 B15R2.17 c1ccc(cc1)c2cccc(c2)NN TS49884 [1,1,0,0,0,0|2,0,0]=4 130 B15R2.27 Cc1cc(cc(=O)o1)c2ccccc2 TS48877 [1,1,0,0,0,0|2,0,0]=4 131 B15R2.28 Cc1cccc(c1)c2ccc(cn2)N TS15301 [1,1,0,0,0,0|2,0,0]=4 132 B15R2.28 c1cc(cc(c1)Br)c2ccc(cc2)F TS62945 [1,1,0,0,0,0|2,0,0]=4 133 B15R2.28 c1cc(cc(c1)Cl)c2ccc(cc2)Cl TS23617 [1,1,0,0,0,0|2,0,0]=4 134 B15R2.28 c1cc(cc(c1)Cl)c2ccc(cc2)N TS26471 [1,1,0,0,0,0|2,0,0]=4 135 B15R2.28 c1cc(cc(c1)F)c2ccc(cc2)Br TS62943 [1,1,0,0,0,0|2,0,0]=4 136 B15R2.28 c1cc(cc(c1)F)c2ccc(cc2)N TS50385 [1,1,0,0,0,0|2,0,0]=4 137 B15R2.28 c1cc(cc(c1)N)c2ccc(cc2)Cl TS38520 [1,1,0,0,0,0|2,0,0]=4 138 B15R2.28 c1cc(cc(c1)N)c2ccc(cc2)F TS15803 [1,1,0,0,0,0|2,0,0]=4 139 B15R2.30 Cc1cccc(c1)c2cccc(c2)Br TS62416 [1,1,0,0,0,0|1,0,0]=3 140 B15R2.30 Cc1cccc(c1)c2cccc(c2)C TS65728 [1,1,0,0,0,0|1,0,0]=3 141 B15R2.30 c1cc(cc(c1)Br)c2cccc(c2)Br TS93409 [1,1,0,0,0,0|2,0,0]=4 142 B15R2.30 c1cc(cc(c1)Cl)c2cccc(c2)Cl TS23619 [1,1,0,0,0,0|2,0,0]=4 143 B15R2.30 c1cc(cc(c1)F)c2cccc(c2)F TS51062 [1,1,0,0,0,0|2,0,0]=4 144 B15R2.30 c1cc(cc(c1)N)c2cccc(c2)Cl TS26473 [1,1,0,0,0,0|2,0,0]=4 145 B15R2.30 c1cc(cc(c1)N)c2cccc(c2)F TS15802 [1,1,0,0,0,0|2,0,0]=4 146 B15R2.32 Cc1c(cccc1Cl)c2ccccc2 TS19490 [1,1,0,0,0,0|2,0,0]=4 147 B15R2.94 Cc1cc(ccc1N)c2ccccc2 TS48461 [1,1,0,0,0,0|1,0,0]=3 148 B15R2.94 c1ccc(cc1)c2ccc(c(c2)Br)F TS62944 [1,1,0,0,0,0|2,0,0]=4 149 B15R2.94 c1ccc(cc1)c2ccc(c(c2)Cl)Cl TS23616 [1,1,0,0,0,0|2,0,0]=4 150 B15R2.94 c1ccc(cc1)c2ccc(c(c2)Cl)O TS19875 [1,1,0,0,0,0|2,0,0]=4 151 B15R2.94 c1ccc(cc1)c2ccc(c(c2)I)O TS58613 [1,1,0,0,0,0|2,0,0]=4 152 B15R2.94 c1ccc(cc1)c2ccc(c(c2)N)O TS15465 [1,1,0,0,0,0|2,0,0]=4 153 B15R2.94 c1ccc(cc1)c2ccc(c(c2)O)O TS48875 [1,1,0,0,0,0|2,0,0]=4 154 B15R2.332 Cc1cccc(n1)c2ccccc2N TS15308 [1,1,0,0,0,0|2,0,0]=4 155 B15R2.332 c1ccc(c(c1)c2cccc(c2)Cl)Cl TS23618 [1,1,0,0,0,0|2,0,0]=4 156 B15R2.332 c1ccc(c(c1)c2cccc(c2)Cl)N TS26474 [1,1,0,0,0,0|2,0,0]=4 157 B15R2.332 c1ccc(c(c1)c2cccc(c2)F)N TS50386 [1,1,0,0,0,0|2,0,0]=4 158 B15R2.21 CNc1ccccc1c2ccccc2 TS16314 [1,1,0,0,0,0|2,0,0]=4 159 B15R2.21 COc1ccccc1c2ccccc2 TS48590 [1,1,0,0,0,0|1,0,1]=4 160 B15R2.21 c1ccc(c(c1)C=O)c2cccnc2 TS02467 [1,1,0,0,0,0|2,0,0]=4 161 B15R2.21 c1ccc(c(c1)C=O)c2ccncc2 TS48426 [1,1,0,0,0,0|2,0,0]=4 162 B15R2.21 c1ccc(cc1)c2ccccc2C#N TS47755 [1,1,0,0,0,0|2,0,0]=4 163 B15R2.21 c1ccc(cc1)c2ccccc2C=O TS02178 [1,1,0,0,0,0|1,0,0]=3 164 B15R2.21 c1ccc(cc1)c2ccccc2CN TS22682 [1,1,0,0,0,0|2,0,0]=4 165 B15R2.21 c1ccc(cc1)c2ccccc2CO TS48580 [1,1,0,0,0,0|1,0,1]=4 166 B15R2.21 c1ccc(cc1)c2ccccc2NN TS15314 [1,1,0,0,0,0|2,0,0]=4 167 B15R2.21 c1ccc(cc1)c2ccccc2NN TS49885 [1,1,0,0,0,0|2,0,0]=4 168 B15R2.21 c1ccc(cc1)c2ccccc2[Mg]Br TS29097 [1,1,0,0,0,0|2,0,0]=4 169 B15R2.308 Cc1ccc(cc1)c2ccccc2N TS49683 [1,1,0,0,0,0|2,0,0]=4 170 B15R2.308 c1ccc(c(c1)c2ccc(cc2)Cl)Cl TS23621 [1,1,0,0,0,0|2,0,0]=4 171 B15R2.308 c1ccc(c(c1)c2ccc(cc2)Cl)N TS22840 [1,1,0,0,0,0|2,0,0]=4 172 B15R2.308 c1ccc(c(c1)c2ccc(cc2)Cl)N TS26475 [1,1,0,0,0,0|2,0,0]=4 173 B15R2.308 c1ccc(c(c1)c2ccc(cc2)N)Cl TS26472 [1,1,0,0,0,0|2,0,0]=4 174 B15R2.308 c1ccc(c(c1)c2ccc(cc2)N)F TS50387 [1,1,0,0,0,0|2,0,0]=4 175 B15R2.389 c1ccc(cc1)c2ccc(cc2Br)Br TS60966 [1,1,0,0,0,0|2,0,0]=4 176 B15R2.389 c1ccc(cc1)c2ccc(cc2F)Br TS62942 [1,1,0,0,0,0|2,0,0]=4 177 B15R2.389 c1ccc(cc1)c2ccc(cc2F)F TS51063 [1,1,0,0,0,0|2,0,0]=4 178 B15R2.541 c1ccc(cc1)c2c(cccc2Br)Br TS60968 [1,1,0,0,0,0|2,0,0]=4 179 B15R2.541 c1ccc(cc1)c2c(cccc2Cl)Cl TS23622 [1,1,0,0,0,0|2,0,0]=4 180 B15R2.555 Cc1ccccc1c2ccccc2C TS15020 [1,1,0,0,0,0|2,0,0]=4 181 B15R2.555 c1ccc(c(c1)c2ccccc2Br)Br TS60965 [1,1,0,0,0,0|2,0,0]=4 182 B15R2.555 c1ccc(c(c1)c2ccccc2F)F TS51065 [1,1,0,0,0,0|2,0,0]=4 183 B15R2.555 c1ccc(c(c1)c2ccccc2I)I TS69456 [1,1,0,0,0,0|2,0,0]=4 184 B15R2.555 c1ccc(c(c1)c2ccccc2N)N TS15311 [1,1,0,0,0,0|2,0,0]=4 185 B15R2.555 c1ccc(c(c1)c2ccccc2O)O TS48887 [1,1,0,0,0,0|1,0,1]=4 186 B15R2.323 Cc1cc(=O)n(n1C)c2ccccc2 TS16014 [0,1,0,0,1,0|1,0,0]=3 187 B15R2.323 Cc1cc(=O)n(n1C)c2ccccc2 TS63392 [0,1,0,0,1,0|1,0,0]=3 188 B15R2.323 Cc1cc(=O)n(n1C)c2ccccc2 TS72894 [0,1,0,0,1,0|1,0,0]=3 189 B15R2.7148 Cc1cccc(c1)N2C(=O)C=CC2=O TS49047 [0,1,0,0,1,0|1,0,0]=3 190 B15R2.7148 c1cc(cc(c1)Br)N2C(=O)C=CC2=O TS28284 [0,1,0,0,1,0|1,0,0]=3 191 B15R2.7148 c1cc(cc(c1)Cl)N2C(=O)C=CC2=O TS43345 [0,1,0,0,1,0|1,0,0]=3 192 B15R2.7148 c1cc(cc(c1)F)N2C(=O)C=CC2=O TS51263 [0,1,0,0,1,0|1,0,0]=3 193 B15R2.7458 Cc1ccc(n1c2c(cccn2)O)C TS16011 [0,1,0,0,1,0|2,0,0]=4 194 B15R2.7458 Cc1ccc(n1c2ccccc2N)C TS48937 [0,1,0,0,1,0|1,0,0]=3 195 B15R2.7458 Cc1ccccc1N2C(=O)C=CC2=O TS15786 [0,1,0,0,1,0|1,0,0]=3 196 B15R2.7458 c1cc(c(nc1)Cl)N2C(=O)C=CC2=O TS43557 [0,1,0,0,1,0|2,0,0]=4 197 B15R2.7458 c1ccc(c(c1)N2C(=O)C=CC2=O)Br TS28285 [0,1,0,0,1,0|1,0,0]=3 198 B15R2.7458 c1ccc(c(c1)N2C(=O)C=CC2=O)Cl TS20431 [0,1,0,0,1,0|1,0,0]=3 199 B15R2.7458 c1ccc(c(c1)N2C(=O)C=CC2=O)F TS51260 [0,1,0,0,1,0|1,0,0]=3 200 B15R2.18925 Cc1ccc(cc1)N2C(=O)C=CC2=O TS49041 [0,1,0,0,1,0|1,0,0]=3 201 B15R2.18925 Cc1ccc(cc1)n2c(ccc2C)C TS48765 [0,1,0,0,1,0|1,0,0]=3 202 B15R2.18925 Cc1ccc(n1c2ccc(cc2)Br)C TS62807 [0,1,0,0,1,0|1,0,0]=3 203 B15R2.18925 Cc1ccc(n1c2ccc(cc2)Cl)C TS20072 [0,1,0,0,1,0|1,0,0]=3 204 B15R2.18925 Cc1ccc(n1c2ccc(cc2)N)C TS15672 [0,1,0,0,1,0|1,0,0]=3 205 B15R2.18925 c1cc(ccc1N)N2C(=O)C=CC2=O TS50692 [0,1,0,0,1,0|1,0,0]=3 206 B15R2.18925 c1cc(ccc1N2C(=O)C=CC2=O)Br TS28280 [0,1,0,0,1,0|1,0,0]=3 207 B15R2.18925 c1cc(ccc1N2C(=O)C=CC2=O)Cl TS43346 [0,1,0,0,1,0|1,0,0]=3 208 B15R2.18925 c1cc(ccc1N2C(=O)C=CC2=O)F TS51261 [0,1,0,0,1,0|1,0,0]=3 209 B15R2.18925 c1cc(ccc1N2C(=O)C=CC2=O)I TS56098 [0,1,0,0,1,0|1,0,0]=3 210 B15R2.18925 c1cc(ccc1N2C(=O)C=CC2=O)O TS50875 [0,1,0,0,1,0|1,0,0]=3 211 B15R2.309 Cc1cc(=O)n([nH]1)c2ccc(cc2)Cl TS20662 [0,1,0,0,1,0|1,0,0]=3 212 B15R2.309 Cc1cc(n(n1)c2ccc(cc2)N)C TS50585 [0,1,0,0,1,0|2,0,0]=4 213 B15R2.309 Cc1ccc(cc1)n2c(=O)cc([nH]2)C TS50766 [0,1,0,0,1,0|1,0,0]=3 214 B15R2.309 Cc1ccc(cc1)n2c(cc(n2)C)N TS50584 [0,1,0,0,1,0|2,0,0]=4 215 B15R2.309 Cc1ccc(cc1)n2c(cc(n2)C)O TS50745 [0,1,0,0,1,0|1,0,1]=4 216 B15R2.321 Cc1c(c(n(n1)c2ccccc2)C)Br TS28154 [0,1,0,0,1,0|2,0,0]=4 217 B15R2.334 Cc1cc(=O)n([nH]1)c2cccc(c2)Cl TS20664 [0,1,0,0,1,0|1,0,0]=3 218 B15R2.334 Cc1cccc(c1)n2c(cc(n2)C)N TS23751 [0,1,0,0,1,0|2,0,0]=4 219 B15R2.557 Cc1cc(=O)n([nH]1)c2ccccc2Cl TS20665 [0,1,0,0,1,0|1,0,0]=3 220 B15R2.557 Cc1cc(=O)n([nH]1)c2ccccc2Cl TS93318 [0,1,0,0,1,0|1,0,0]=3 221 B15R2.1682 CCc1cc(n(n1)c2ccccc2)N TS50578 [0,1,0,0,1,0|2,0,0]=4 222 B17R2.1349 c1ccc(cc1)Oc2cc(ccc2C=O)F TS49060 [0,1,0,0,0,1|2,0,0]=4 223 B17R2.1963 c1ccc(cc1)Oc2cc(ccc2F)CO TS49425 [0,1,0,0,0,1|2,0,0]=4 224 B17R2.5356 Cc1ccc(c(c1)C(=O)c2ccccc2)C TS43837 [0,1,0,0,0,1|2,0,0]=4 225 B17R2.5356 Cc1ccc(c(c1)C(=O)c2ccccc2)O TS44185 [0,1,0,0,0,1|1,0,1]=4 226 B17R2.1933 c1ccc(cc1)n2cc(c(=O)[nH]c2=O)C#N TS21480 [0,2,0,0,0,0|1,0,1]=4 227 B17R2.2358 Cn1c(=O)cc(n(c1=O)c2ccccc2)N TS22240 [0,2,0,0,0,0|2,0,0]=4 228 B17R2.2359 c1ccc(cc1)n2c(=O)c(c(c(n2)O)Cl)Cl TS02218 [0,2,0,0,0,0|2,0,0]=4 229 B17R2.3472 Cc1ccc(c(c1)c2cc(ccc2C)C)C TS47110 [0,2,0,0,0,0|2,0,0]=4 230 B15R2.38 Cc1ccccc1Sc2ccccc2 TS19059 [0,0,1,1,0,0|2,0,0]=4 231 B15R2.38 c1ccc(cc1)Nc2ccccc2Br TS27699 [0,0,1,1,0,0|2,0,0]=4 232 B15R2.38 c1ccc(cc1)Nc2ccccc2Cl TS38516 [0,0,1,1,0,0|2,0,0]=4 233 B15R2.38 c1ccc(cc1)Nc2ccccc2N TS15303 [0,0,1,1,0,0|2,0,0]=4 234 B15R2.29 Cc1ccc(cc1)Nc2ccccc2 TS48465 [0,0,1,1,0,0|1,0,0]=3 235 B15R2.29 Cc1ccc(cc1)Oc2ccccc2 TS48574 [0,0,1,1,0,0|2,0,0]=4 236 B15R2.29 Cc1ccc(cc1)Sc2ccccc2 TS19061 [0,0,1,1,0,0|2,0,0]=4 237 B15R2.29 c1ccc(cc1)Nc2ccc(cc2)Br TS27697 [0,0,1,1,0,0|2,0,0]=4 238 B15R2.29 c1ccc(cc1)Nc2ccc(cc2)Cl TS38521 [0,0,1,1,0,0|2,0,0]=4 239 B15R2.29 c1ccc(cc1)Nc2ccc(cc2)N TS15306 [0,0,1,1,0,0|2,0,0]=4 240 B15R2.29 c1ccc(cc1)Nc2ccc(cc2)N TS49887 [0,0,1,1,0,0|2,0,0]=4 241 B15R2.29 c1ccc(cc1)Nc2ccc(cc2)N TS54530 [0,0,1,1,0,0|2,0,0]=4 242 B15R2.29 c1ccc(cc1)Nc2ccc(cc2)O TS22844 [0,0,1,1,0,0|2,0,0]=4 243 B15R3.3 c1ccc-2c(c1)Cc3c2cccc3 TS43118 [1,0,0,1,0,0|2,0,0]=4 244 B15R3.3 c1ccc2c(c1)-c3ccccc3[I+]2 TS75228 [1,0,0,1,0,0|2,0,0]=4 245 B15R3.3 c1ccc2c(c1)c3ccccc3[nH]2 TS33208 [1,0,0,1,0,0|2,0,0]=4 246 B15R3.3 c1ccc2c(c1)c3ccccc3[nH]2 TS38868 [1,0,0,1,0,0|2,0,0]=4 247 B15R3.3 c1ccc2c(c1)c3ccccc3o2 TS01429 [1,0,0,1,0,0|1,0,1]=4 248 B15R3.3 c1ccc2c(c1)c3ccccc3s2 TS48596 [1,0,0,1,0,0|1,1,0]=4 249 B17R3.3205 Cc1ccc2cc3ccccc3cc2c1 TS17540 [0,0,0,1,0,1|2,0,0]=4 250 B17R3.56301 Cc1ccc(c2c1c3ccccc3s2)C TS21378 [0,0,0,1,0,1|2,0,0]=4 251 B17R3.1513 CCc1ccc2c(c1)c3ccccc3[nH]2 TS18108 [0,1,0,1,0,0|2,0,0]=4 252 B17R3.2813 Cc1cc2c3ccccc3sc2cc1C TS21381 [0,1,0,1,0,0|1,1,0]=4 253 B17R3.31640 Cc1ccc2c(c1C)c3ccccc3s2 TS21380 [0,1,0,1,0,0|1,1,0]=4 254 B17R3.18998 Cc1ccc2ccc3ccccc3c2c1 TS51517 [0,1,0,1,0,0|2,0,0]=4 255 B17R3.31713 c1ccc2c(c1)-c3cc(ccc3C2=O)Br TS93514 [0,1,0,1,0,0|2,0,0]=4 256 B17R3.31627 Cc1ccc2c(c1)c3cc(ccc3s2)C TS21377 [0,1,0,1,0,0|1,1,0]=4 257 B17R3.284867 Cc1ccc2c(c1)c3cccc(c3s2)C TS21376 [0,1,0,1,0,0|1,1,0]=4 258 B17R3.34483 Cc1cc(c2c(c1)c3ccccc3s2)C TS21382 [0,1,0,1,0,0|1,1,0]=4 259 B13R1.45 CN(C)C=CC(=O)c1ccccc1 TS45993 [0,0,1,0,1,0|1,0,1]=4 260 B13R1.45 c1ccc(cc1)C(=O)C=CC(=O)O TS46065 [0,0,1,0,1,0|2,0,0]=4 261 B13R1.348 CC(=CC(=O)C)Nc1ccccc1 TS09767 [0,0,1,0,1,0|2,0,0]=4 262 B13R1.348 CC(=O)CC(=O)Nc1ccccc1 TS14035 [0,0,1,0,1,0|1,0,1]=4 263 B13R2.10 Cc1ccn(n1)c2ccccc2 TS41931 [1,0,0,0,1,0|1,0,0]=3 264 B13R2.10 c1ccc(cc1)n2cc(cn2)Br TS23612 [1,0,0,0,1,0|2,0,0]=4 265 B13R2.10 c1ccc(cc1)n2ccc(n2)N TS42054 [1,0,0,0,1,0|2,0,0]=4 266 B13R2.15 c1ccc(cc1)n2c(ccn2)N TS42050 [1,0,0,0,1,0|2,0,0]=4 267 B13R2.15 c1ccc(cc1)n2cc[nH]c2=S TS46142 [1,0,0,0,1,0|2,0,0]=4 268 B15R2.31 Cc1cccc(c1)Nc2ccccc2 TS39313 [1,0,0,0,0,1|1,0,0]=3 269 B15R2.31 Cc1cccc(c1)Oc2ccccc2 TS48592 [1,0,0,0,0,1|1,0,0]=3 270 B15R2.31 Cc1cccc(c1)Sc2ccccc2 TS19060 [1,0,0,0,0,1|1,0,0]=3 271 B15R2.31 c1ccc(cc1)C[n+]2cccc(c2)O TS23370 [1,0,0,0,0,1|1,0,1]=4 272 B15R2.31 c1ccc(cc1)C[n+]2cccc(c2)O TS30249 [1,0,0,0,0,1|1,0,1]=4 273 B15R2.31 c1ccc(cc1)Cc2cccc(c2)N TS48456 [1,0,0,0,0,1|2,0,0]=4 274 B15R2.31 c1ccc(cc1)Cc2cccc(c2)O TS65889 [1,0,0,0,0,1|2,0,0]=4 275 B15R2.31 c1ccc(cc1)Nc2cccc(c2)Br TS27696 [1,0,0,0,0,1|2,0,0]=4 276 B15R2.31 c1ccc(cc1)Nc2cccc(c2)Cl TS38518 [1,0,0,0,0,1|2,0,0]=4 277 B15R2.31 c1ccc(cc1)Nc2cccc(c2)N TS15313 [1,0,0,0,0,1|2,0,0]=4 278 B15R2.31 c1ccc(cc1)Nc2cccc(c2)O TS15456 [1,0,0,0,0,1|2,0,0]=4 279 B15R2.31 c1ccc(cc1)Oc2cccc(c2)Br TS16747 [1,0,0,0,0,1|2,0,0]=4 280 B15R2.31 c1ccc(cc1)Oc2cccc(c2)N TS48736 [1,0,0,0,0,1|2,0,0]=4 281 B15R2.31 c1ccc(cc1)Oc2cccc(c2)O TS70705 [1,0,0,0,0,1|2,0,0]=4 282 B17R2.5365 Cc1ccc(c(c1)N=Nc2ccccc2)O TS21342 [0,0,0,0,0,2|1,0,1]=4