0 B13R2.369 CC1C(=O)Nc2ccccc2O1 H61075 [0,0,0,0,0,0|2,0,1]=3 1 B13R2.369 CC1C(=O)Nc2ccccc2S1 H61012 [0,0,0,0,0,0|2,0,1]=3 2 B13R2.369 Cc1c(=O)[nH]c2ccccc2n1 H51733 [0,0,0,0,0,0|2,0,0]=2 3 B13R2.369 Cc1c(nc2ccccc2n1)C B23313 [0,0,0,0,0,0|3,0,1]=4 4 B13R2.369 Cc1c(nc2ccccc2n1)Cl H51734 [0,0,0,0,0,0|3,0,1]=4 5 B13R2.369 Cc1cc2ccccc2cc1C L08386 [0,0,0,0,0,0|3,0,0]=3 6 B13R2.369 Cc1cc2ccccc2nc1Cl H50492 [0,0,0,0,0,0|2,0,1]=3 7 B13R2.369 c1ccc2c(c1)cc(c(=O)o2)Cl H27494 [0,0,0,0,0,0|2,0,0]=2 8 B13R2.369 c1ccc2c(c1)cc(c(=O)o2)N L14031 [0,0,0,0,0,0|2,0,0]=2 9 B13R2.369 c1ccc2c(c1)nc(c(n2)Cl)Cl A11734 [0,0,0,0,0,0|3,0,1]=4 10 B13R2.369 c1ccc2c(c1)nc(c(n2)O)O L07581 [0,0,0,0,0,0|1,0,2]=3 11 B13R2.369 c1ccc2cc(c(cc2c1)N)N A12993 [0,0,0,0,0,0|3,0,0]=3 12 B13R2.369 c1ccc2cc(c(cc2c1)N)O B24570 [0,0,0,0,0,0|2,0,0]=2 13 B13R2.369 c1ccc2cc(c(cc2c1)O)O A11307 [0,0,0,0,0,0|1,0,1]=2 14 B12R2.24 Cc1cc2ccccc2nc1 A13109 [1,0,0,0,0,0|1,0,1]=3 15 B12R2.24 Cc1ccc2c(c1)cccn2 B21892 [1,0,0,0,0,0|3,0,0]=4 16 B12R2.24 Cc1ccc2ccccc2c1 L02459 [1,0,0,0,0,0|2,0,0]=3 17 B12R2.24 Cc1ccc2ccccc2n1 A13412 [1,0,0,0,0,0|1,0,1]=3 18 B12R2.24 Cc1ccc2cccnc2c1 42475 [1,0,0,0,0,0|3,0,0]=4 19 B12R2.24 Cc1ccc2cccnc2n1 H34032 [1,0,0,0,0,0|2,0,1]=4 20 B12R2.24 Cc1cnc2ccccc2n1 A15895 [1,0,0,0,0,0|2,0,1]=4 21 B12R2.24 c1cc(=O)[nH]c2c1cncc2 H50121 [1,0,0,0,0,0|1,0,0]=2 22 B12R2.24 c1cc(cc2c1ccnc2)O L17067 [1,0,0,0,0,0|2,0,0]=3 23 B12R2.24 c1cc2c(nc1)NC(=O)CO2 L08473 [1,0,0,0,0,0|2,0,1]=4 24 B12R2.24 c1cc2cc(ccc2nc1)Br H55111 [1,0,0,0,0,0|3,0,0]=4 25 B12R2.24 c1cc2cc(ccc2nc1)Cl L20164 [1,0,0,0,0,0|3,0,0]=4 26 B12R2.24 c1cc2cc(ccc2nc1)F H35900 [1,0,0,0,0,0|3,0,0]=4 27 B12R2.24 c1cc2cc(ccc2nc1)N L13819 [1,0,0,0,0,0|3,0,0]=4 28 B12R2.24 c1cc2ccc(cc2nc1)Br H63987 [1,0,0,0,0,0|3,0,0]=4 29 B12R2.24 c1ccc2c(c1)CCC(=O)C2 L01053 [1,0,0,0,0,0|1,0,2]=4 30 B12R2.24 c1ccc2c(c1)CCC(=O)N2 H36638 [1,0,0,0,0,0|0,0,2]=3 31 B12R2.24 c1ccc2c(c1)CCC(=O)O2 B21229 [1,0,0,0,0,0|1,0,2]=4 32 B12R2.24 c1ccc2c(c1)CNC(=O)N2 L07763 [1,0,0,0,0,0|1,0,1]=3 33 B12R2.24 c1ccc2c(c1)NC(=O)CO2 H27622 [1,0,0,0,0,0|1,0,1]=3 34 B12R2.24 c1ccc2c(c1)NC(=O)CS2 A11091 [1,0,0,0,0,0|1,0,1]=3 35 B12R2.24 c1ccc2c(c1)cc(cn2)Br A14573 [1,0,0,0,0,0|1,0,1]=3 36 B12R2.24 c1ccc2c(c1)cc(cn2)N A16592 [1,0,0,0,0,0|1,0,1]=3 37 B12R2.24 c1ccc2c(c1)cc(cn2)[Zn+] H58426 [1,0,0,0,0,0|1,0,1]=3 38 B12R2.24 c1ccc2c(c1)ccc(=O)o2 A15336 [1,0,0,0,0,0|1,0,0]=2 39 B12R2.24 c1ccc2c(c1)ccc(n2)Br H27302 [1,0,0,0,0,0|1,0,1]=3 40 B12R2.24 c1ccc2c(c1)ccc(n2)Cl B23443 [1,0,0,0,0,0|1,0,1]=3 41 B12R2.24 c1ccc2c(c1)ccc(n2)O B23064 [1,0,0,0,0,0|0,0,2]=3 42 B12R2.24 c1ccc2c(c1)ccc(n2)S H55749 [1,0,0,0,0,0|0,1,1]=3 43 B12R2.24 c1ccc2c(c1)ncc(n2)Br H61967 [1,0,0,0,0,0|2,0,1]=4 44 B12R2.24 c1ccc2c[n+](ccc2c1)[O-] A19738 [1,0,0,0,0,0|2,0,1]=4 45 B12R2.24 c1ccc2c[n+](ccc2c1)[O-] L14794 [1,0,0,0,0,0|2,0,1]=4 46 B12R2.24 c1ccc2cc(ccc2c1)Br A15300 [1,0,0,0,0,0|2,0,0]=3 47 B12R2.24 c1ccc2cc(ccc2c1)O A14564 [1,0,0,0,0,0|1,0,0]=2 48 B12R2.24 c1ccc2cc(ccc2c1)[Mg+] H51160 [1,0,0,0,0,0|2,0,0]=3 49 B12R2.24 c1ccc2cnc(cc2c1)O L19428 [1,0,0,0,0,0|2,0,0]=3 50 B14R2.639 CC1(C(=O)Nc2ccccc2O1)C H61025 [0,1,0,0,0,0|2,0,1]=4 51 B14R2.639 CC1(C(=O)Nc2ccccc2S1)C H61081 [0,1,0,0,0,0|2,0,1]=4 52 B14R2.1128 c1ccc2c(c1)[nH]c(=O)c(n2)CBr H27169 [0,1,0,0,0,0|2,0,0]=3 53 B14R2.1128 c1ccc2c(c1)cc(c(=O)[nH]2)C=O H33508 [0,1,0,0,0,0|0,0,1]=2 54 B14R2.1128 c1ccc2c(c1)cc(c(=O)o2)C#N H27871 [0,1,0,0,0,0|2,0,0]=3 55 B14R2.1128 c1ccc2c(c1)cc(c(n2)Cl)C=O H27133 [0,1,0,0,0,0|1,0,2]=4 56 B14R2.8239 c1cc(=O)oc2c1cc(c(c2)O)O A15393 [0,1,0,0,0,0|2,0,1]=4 57 B14R2.8239 c1cc2c(cc1Cl)[nH]c(=O)c(=O)[nH]2 L14038 [0,1,0,0,0,0|1,0,1]=3 58 B12R1.43 CC(=C)C(=O)Oc1ccccc1 L11978 [0,0,1,0,0,0|2,0,0]=3 59 B12R1.43 C\C(=C/c1ccccc1)\C(=O)O L00806 [0,0,1,0,0,0|2,0,0]=3 60 B12R1.43 c1ccc(cc1)CC(=O)C(=O)[O-] A14027 [0,0,1,0,0,0|1,0,2]=4 61 B12R1.43 c1ccc(cc1)CC(=O)C(=O)[O-] H56767 [0,0,1,0,0,0|1,0,2]=4 62 B12R1.43 c1ccc(cc1)CC(C(=O)O)O L09854 [0,0,1,0,0,0|1,0,2]=4 63 B12R1.43 c1ccc(cc1)C[C@@H](C(=O)N)N H62030 [0,0,1,0,0,0|1,0,2]=4 64 B12R1.43 c1ccc(cc1)C[C@@H](C(=O)N)N H65506 [0,0,1,0,0,0|1,0,2]=4 65 B12R1.43 c1ccc(cc1)C[C@@H](C(=O)O)O A18203 [0,0,1,0,0,0|1,0,2]=4 66 B12R1.43 c1ccc(cc1)C[C@H](C(=O)N)N H65853 [0,0,1,0,0,0|1,0,2]=4 67 B12R1.43 c1ccc(cc1)C[C@H](C(=O)O)O H35096 [0,0,1,0,0,0|1,0,2]=4 68 B12R1.43 c1ccc(cc1)N[C@H](C(=O)O)Cl H28776 [0,0,1,0,0,0|2,0,1]=4 69 B12R2.18 CC1c2ccccc2NC1=O H27662 [0,0,0,0,1,0|1,0,1]=3 70 B12R2.18 Cc1c([nH]c2c1cccc2)C A18504 [0,0,0,0,1,0|2,0,0]=3 71 B12R2.18 c1ccc2c(c1)C(=O)C(=O)N2 A12468 [0,0,0,0,1,0|0,0,1]=2 72 B12R2.18 c1ccc2c(c1)CC(C2=O)Br L12453 [0,0,0,0,1,0|1,0,2]=4 73 B12R2.100 c1c[nH]c2c1cc(c(c2)O)O H66709 [0,0,0,0,1,0|2,0,1]=4 74 B11R1.40 C=CC(=O)Oc1ccccc1 L11819 [1,0,1,0,0,0|1,0,0]=3 75 B11R1.40 CCC(=O)Nc1ccccc1 H31832 [1,0,1,0,0,0|0,0,2]=4 76 B11R1.40 C\C(=C/c1ccccc1)\C=O A10429 [1,0,1,0,0,0|1,0,0]=3 77 B11R1.40 c1ccc(cc1)NC(=O)NN B25578 [1,0,1,0,0,0|2,0,0]=4 78 B11R1.40 c1ccc(cc1)\C=C(\C=O)/Br A14230 [1,0,1,0,0,0|1,0,0]=3 79 B11R1.91 CC(=O)\C=C\c1ccccc1 A13537 [1,0,1,0,0,0|1,0,0]=3 80 B11R1.91 c1cc(cnc1)\C=C\C(=O)O A14747 [1,0,1,0,0,0|2,0,0]=4 81 B11R1.91 c1ccc(cc1)CNC(=O)N B24945 [1,0,1,0,0,0|1,0,1]=4 82 B11R1.91 c1ccc(cc1)COC(=O)N A11569 [1,0,1,0,0,0|1,0,1]=4 83 B11R1.91 c1ccc(cc1)NCC(=O)O A14182 [1,0,1,0,0,0|1,0,1]=4 84 B11R1.91 c1ccc(cc1)NNC(=O)N B22331 [1,0,1,0,0,0|2,0,0]=4 85 B11R1.91 c1ccc(cc1)OCC(=O)N A14934 [1,0,1,0,0,0|1,0,1]=4 86 B11R1.91 c1ccc(cc1)\C=C\C(=O)Cl A12016 [1,0,1,0,0,0|1,0,0]=3 87 B11R1.91 c1ccc(cc1)\C=C\C(=O)N A13429 [1,0,1,0,0,0|0,0,0]=2 88 B11R1.91 c1ccc(cc1)\C=C\C(=O)O A13538 [1,0,1,0,0,0|1,0,0]=3 89 B11R1.91 c1ccc(cc1)\C=C\[N+](=O)[O-] L14367 [1,0,1,0,0,0|2,0,0]=4 90 B11R1.91 c1cnccc1\C=C\C(=O)O L13458 [1,0,1,0,0,0|2,0,0]=4 91 B11R1.86 CC(=O)Nc1ccccc1Br L20132 [1,0,1,0,0,0|1,0,1]=4 92 B11R1.86 CC(=O)Nc1ccccc1Cl A14711 [1,0,1,0,0,0|1,0,1]=4 93 B11R1.86 CC(=O)Nc1ccccc1F A16927 [1,0,1,0,0,0|1,0,1]=4 94 B11R1.86 CC(=O)Nc1ccccc1N H27343 [1,0,1,0,0,0|1,0,1]=4 95 B11R1.86 CC(=O)Nc1ccccc1O B21264 [1,0,1,0,0,0|1,0,1]=4 96 B11R1.86 Cc1ccccc1CC(=O)O A15783 [1,0,1,0,0,0|1,0,1]=4 97 B11R1.86 Cc1ccccc1NC(=O)C A13235 [1,0,1,0,0,0|0,0,2]=4 98 B11R1.86 Cc1ccccc1NC(=O)N B23086 [1,0,1,0,0,0|1,0,1]=4 99 B11R1.86 c1ccc(c(c1)CC(=O)O)Br A16900 [1,0,1,0,0,0|1,0,1]=4 100 B11R1.86 c1ccc(c(c1)CC(=O)O)Cl A15834 [1,0,1,0,0,0|1,0,1]=4 101 B11R1.86 c1ccc(c(c1)CC(=O)O)F A10596 [1,0,1,0,0,0|1,0,1]=4 102 B11R1.86 c1ccc(c(c1)CC(=O)O)I L15116 [1,0,1,0,0,0|1,0,1]=4 103 B11R1.86 c1ccc(c(c1)CC(=O)O)O A13924 [1,0,1,0,0,0|1,0,1]=4 104 B11R1.86 c1ccc(c(c1)NC(=O)N)F L01247 [1,0,1,0,0,0|2,0,0]=4 105 B11R2.20 c1cc2c(cccn2)nc1 H64484 [2,0,0,0,0,0|1,0,1]=4 106 B11R2.20 c1ccc2c(c1)CCC=C2 L11430 [2,0,0,0,0,0|1,0,1]=4 107 B11R2.20 c1ccc2c(c1)ccc[nH+]2 H55300 [2,0,0,0,0,0|0,0,1]=3 108 B11R2.20 c1ccc2c(c1)cccn2 43225 [2,0,0,0,0,0|0,0,1]=3 109 B11R2.20 c1ccc2c(c1)cccn2 A11545 [2,0,0,0,0,0|0,0,1]=3 110 B11R2.20 c1ccc2c(c1)cncn2 B24094 [2,0,0,0,0,0|1,0,1]=4 111 B11R2.20 c1ccc2c(c1)nccn2 A14055 [2,0,0,0,0,0|1,0,1]=4 112 B11R2.20 c1ccc2ccccc2c1 33347 [2,0,0,0,0,0|1,0,0]=3 113 B11R2.20 c1ccc2ccccc2c1 A13188 [2,0,0,0,0,0|1,0,0]=3 114 B11R2.20 c1ccc2cnccc2c1 B21279 [2,0,0,0,0,0|2,0,0]=4 115 B13R1.418 c1ccc(cc1)\C=C(/C#N)\C(=O)O L04133 [0,1,1,0,0,0|2,0,0]=4 116 B13R2.32 CN1c2ccccc2OCC1=O H27196 [1,1,0,0,0,0|1,0,1]=4 117 B13R2.32 Cc1ccc2ccccc2c1Br L05093 [1,1,0,0,0,0|2,0,0]=4 118 B13R2.32 Cc1ccc2ccccc2c1C L09774 [1,1,0,0,0,0|2,0,0]=4 119 B13R2.32 Cc1ccc2ccccc2c1[Mg+] H54388 [1,1,0,0,0,0|2,0,0]=4 120 B13R2.32 Cn1c2ccccc2ccc1=O L09410 [1,1,0,0,0,0|0,0,0]=2 121 B13R2.32 c1ccc2c(c1)C=CC(=S)C2O A12125 [1,1,0,0,0,0|1,1,0]=4 122 B13R2.32 c1ccc2c(c1)c(=O)c(co2)Br A14591 [1,1,0,0,0,0|2,0,0]=4 123 B13R2.32 c1ccc2c(c1)c(=O)c(co2)I H34295 [1,1,0,0,0,0|2,0,0]=4 124 B13R2.32 c1ccc2c(c1)ccc(c2Br)O A18692 [1,1,0,0,0,0|1,0,0]=3 125 B13R2.32 c1ccc2c(c1)ccc(c2N)O B24492 [1,1,0,0,0,0|1,0,0]=3 126 B13R2.32 c1ccc2c(c1)ccc(c2O)Br H66429 [1,1,0,0,0,0|2,0,0]=4 127 B13R2.57 C=Cc1ccc2ccccc2c1 A12470 [1,1,0,0,0,0|2,0,0]=4 128 B13R2.57 COc1ccc2c(c1)cccn2 A11736 [1,1,0,0,0,0|2,0,0]=4 129 B13R2.57 COc1ccc2ccccc2c1 A17650 [1,1,0,0,0,0|1,0,0]=3 130 B13R2.57 CSc1ccc2ccccc2c1 B22368 [1,1,0,0,0,0|1,1,0]=4 131 B13R2.57 c1ccc2c(c1)cc(cn2)C=O L13815 [1,1,0,0,0,0|0,0,2]=4 132 B13R2.57 c1ccc2c(c1)ccc(n2)C#N L19427 [1,1,0,0,0,0|1,0,1]=4 133 B13R2.57 c1ccc2c(c1)ccc(n2)C=O L20202 [1,1,0,0,0,0|0,0,1]=3 134 B13R2.57 c1ccc2c(c1)ccc(n2)CCl A14102 [1,1,0,0,0,0|1,0,1]=4 135 B13R2.57 c1ccc2c(c1)ccc(n2)NN H50700 [1,1,0,0,0,0|1,0,1]=4 136 B13R2.57 c1ccc2cc(ccc2c1)C#N L03704 [1,1,0,0,0,0|2,0,0]=4 137 B13R2.57 c1ccc2cc(ccc2c1)C=O B25157 [1,1,0,0,0,0|1,0,0]=3 138 B13R2.57 c1ccc2cc(ccc2c1)CBr B24568 [1,1,0,0,0,0|2,0,0]=4 139 B13R2.57 c1ccc2cc(ccc2c1)CCl H50242 [1,1,0,0,0,0|2,0,0]=4 140 B13R2.155 Cc1ccc2ccc(cc2c1)C B21704 [1,1,0,0,0,0|2,0,0]=4 141 B13R2.155 c1cc(cc2c1ccc(=O)o2)O L04082 [1,1,0,0,0,0|1,0,0]=3 142 B13R2.155 c1cc(cc2c1ccc(c2)Br)Br H56097 [1,1,0,0,0,0|2,0,0]=4 143 B13R2.155 c1cc(cc2c1ccc(c2)O)O A10229 [1,1,0,0,0,0|1,0,0]=3 144 B13R2.155 c1cc2c(cc1Br)NC(=O)CO2 H27493 [1,1,0,0,0,0|1,0,1]=4 145 B13R2.155 c1cc2c(cc1Br)NC(=O)CS2 H61077 [1,1,0,0,0,0|1,0,1]=4 146 B13R2.155 c1cc2c(cc1O)NC(=O)CC2 H27485 [1,1,0,0,0,0|0,0,2]=4 147 B13R2.162 Cc1ccc2cccc(c2c1)C A18030 [1,1,0,0,0,0|2,0,0]=4 148 B13R2.162 Cc1ccc2cccc(c2n1)Cl B20504 [1,1,0,0,0,0|1,0,1]=4 149 B13R2.162 Cc1ccc2cccc(c2n1)O L06989 [1,1,0,0,0,0|1,0,1]=4 150 B13R2.162 c1cc(=O)[nH]c2c1cncc2Br H50045 [1,1,0,0,0,0|1,0,0]=3 151 B13R2.162 c1cc2c(cc(cn2)Br)c(c1)Br H54859 [1,1,0,0,0,0|1,0,1]=4 152 B13R2.162 c1cc2ccc(cc2c(c1)N)O A19404 [1,1,0,0,0,0|1,0,0]=3 153 B13R2.162 c1cc2ccc(cc2c(c1)O)O H28261 [1,1,0,0,0,0|1,0,0]=3 154 B13R2.162 c1cc2ccc(nc2c(c1)F)Cl H33446 [1,1,0,0,0,0|1,0,1]=4 155 B13R2.328 Cc1cc(c2ccccc2n1)Cl A15002 [1,1,0,0,0,0|1,0,1]=4 156 B13R2.328 Cc1cc(c2ccccc2n1)N L14295 [1,1,0,0,0,0|1,0,1]=4 157 B13R2.328 Cc1cc(c2ccccc2n1)O A14587 [1,1,0,0,0,0|1,0,1]=4 158 B13R2.328 Cc1cc(nc2c1cccc2)C L08348 [1,1,0,0,0,0|1,0,1]=4 159 B13R2.328 Cc1cc(nc2c1cccc2)Cl H26504 [1,1,0,0,0,0|1,0,1]=4 160 B13R2.328 Cc1cc(nc2c1cccc2)O L07417 [1,1,0,0,0,0|0,0,2]=4 161 B13R2.328 Cc1cc(nc2c1cccc2)S H34098 [1,1,0,0,0,0|0,1,1]=4 162 B13R2.328 Cc1cc2ccccc2[n+](c1)[O-] L10635 [1,1,0,0,0,0|1,0,1]=4 163 B13R2.328 c1ccc2c(c1)CC(=O)OC2=O A15538 [1,1,0,0,0,0|2,0,0]=4 164 B13R2.328 c1ccc2c(c1)c(=O)oc(=O)[nH]2 A14603 [1,1,0,0,0,0|1,0,0]=3 165 B13R2.328 c1ccc2c(c1)c(cc(=O)o2)O A14394 [1,1,0,0,0,0|1,0,0]=3 166 B13R2.328 c1ccc2c(c1)c(cc(n2)N)O L12760 [1,1,0,0,0,0|1,0,1]=4 167 B13R2.328 c1ccc2c(c1)c(cc(n2)O)O B20747 [1,1,0,0,0,0|0,0,2]=4 168 B13R2.328 c1ccc2c(c1)c(cc(n2)O)[O-] L12348 [1,1,0,0,0,0|0,0,2]=4 169 B13R2.328 c1ccc2c(c1)cc(cc2O)O A17739 [1,1,0,0,0,0|1,0,0]=3 170 B13R2.3683 Cc1ccc2c(c1)ccc(=O)o2 A19382 [1,1,0,0,0,0|1,0,0]=3 171 B13R2.3683 Cc1ccc2c(c1)ccc(n2)C B23934 [1,1,0,0,0,0|1,0,1]=4 172 B13R2.3683 Cc1ccc2cc(ccc2n1)Br H27447 [1,1,0,0,0,0|1,0,1]=4 173 B13R2.3683 Cc1ccc2cc(ccc2n1)F A11469 [1,1,0,0,0,0|1,0,1]=4 174 B13R2.3683 Cc1ccc2cc(ccc2n1)N A13967 [1,1,0,0,0,0|1,0,1]=4 175 B13R2.3683 Cc1ccc2cc(ccc2n1)O A18846 [1,1,0,0,0,0|1,0,1]=4 176 B13R2.3683 c1cc(=O)[nH]c2c1cc(cc2)Br H54095 [1,1,0,0,0,0|0,0,0]=2 177 B13R2.3683 c1cc(=O)[nH]c2c1cc(cn2)Br H50042 [1,1,0,0,0,0|1,0,0]=3 178 B13R2.3683 c1cc(=O)oc2c1cc(cc2)N L11168 [1,1,0,0,0,0|1,0,0]=3 179 B13R2.3683 c1cc(cc2c1cc(cc2)Br)Br L16134 [1,1,0,0,0,0|2,0,0]=4 180 B13R2.3683 c1cc(cc2c1cc(cc2)Br)O A18535 [1,1,0,0,0,0|1,0,0]=3 181 B13R2.3683 c1cc(cc2c1cc(cc2)O)O B21465 [1,1,0,0,0,0|1,0,0]=3 182 B13R2.3683 c1cc(nc2c1cc(cc2)Br)Cl H54895 [1,1,0,0,0,0|1,0,1]=4 183 B13R2.3683 c1cc2c(cc1Br)CCC(=O)N2 H37968 [1,1,0,0,0,0|0,0,2]=4 184 B13R2.3683 c1cc2c(cc1Br)OCC(=O)N2 H61082 [1,1,0,0,0,0|1,0,1]=4 185 B13R2.3683 c1cc2c(cc1Br)SCC(=O)N2 H27563 [1,1,0,0,0,0|1,0,1]=4 186 B13R2.3683 c1cc2c(cc1Cl)SCC(=O)N2 H27157 [1,1,0,0,0,0|1,0,1]=4 187 B13R2.3683 c1cc2c(cc1N)OCC(=O)N2 H31534 [1,1,0,0,0,0|1,0,1]=4 188 B13R2.5179 c1cc2cc(ccc2c(c1)O)O L15801 [1,1,0,0,0,0|1,0,0]=3 189 B13R2.45 Cc1c2ccccc2[nH]c1C=O H66393 [0,1,0,0,1,0|1,0,0]=3 190 B13R2.45 Cc1c2ccccc2sc1C=O A11375 [0,1,0,0,1,0|2,0,0]=4 191 B13R2.135 c1ccc2c(c1)\C(=N\O)\C(=O)N2 B22732 [0,1,0,0,1,0|0,0,0]=2 192 B13R2.135 c1ccc2c(c1)c(c([nH]2)Cl)C=O H34381 [0,1,0,0,1,0|1,0,1]=4 193 B13R2.3028 Cc1ccc2c(c1)C(=O)C(=O)N2 L08009 [0,1,0,0,1,0|0,0,1]=3 194 B13R2.3028 c1cc2c(cc1Br)C(=O)C(=O)N2 A13641 [0,1,0,0,1,0|0,0,1]=3 195 B13R2.3028 c1cc2c(cc1Br)C(C(=O)N2)O A15869 [0,1,0,0,1,0|0,0,1]=3 196 B13R2.3028 c1cc2c(cc1Cl)C(=O)C(=O)N2 A13125 [0,1,0,0,1,0|0,0,1]=3 197 B13R2.3028 c1cc2c(cc1F)C(=O)C(=O)N2 B20831 [0,1,0,0,1,0|0,0,1]=3 198 B13R2.3028 c1cc2c(cc1I)C(=O)C(=O)N2 A14988 [0,1,0,0,1,0|0,0,1]=3 199 B13R2.3085 CN1C(=O)c2ccccc2C1=O L08991 [0,1,0,0,1,0|2,0,0]=4 200 B13R2.3085 CN1c2ccccc2C(=O)C1=O A12942 [0,1,0,0,1,0|0,0,1]=3 201 B13R2.3085 c1ccc2c(c1)C(=O)N(C2=O)Br A11601 [0,1,0,0,1,0|2,0,0]=4 202 B13R2.3085 c1ccc2c(c1)C(=O)N(C2=O)N A19914 [0,1,0,0,1,0|2,0,0]=4 203 B13R2.3085 c1ccc2c(c1)C(=O)N(C2=O)O A13862 [0,1,0,0,1,0|1,0,0]=3 204 B13R2.3085 c1ccc2c(c1)c(=O)c(=O)c2=O 43846 [0,1,0,0,1,0|0,0,1]=3 205 B13R2.3085 c1ccc2c(c1)c(=O)c(=O)c2=O A10409 [0,1,0,0,1,0|0,0,1]=3 206 B13R2.4825 c1cc2c(c(c1)Br)NC(=O)C2=O H32843 [0,1,0,0,1,0|0,0,1]=3 207 B13R2.4825 c1cc2c(c(c1)Cl)NC(=O)C2=O H55594 [0,1,0,0,1,0|0,0,1]=3 208 B13R2.4825 c1cc2c(c(c1)F)NC(=O)C2=O H26827 [0,1,0,0,1,0|0,0,1]=3 209 B13R2.4825 c1cc2c(c(c1)I)NC(=O)C2=O H52344 [0,1,0,0,1,0|0,0,1]=3 210 B15R2.117 COc1cc2ccccc2cc1OC H55523 [0,2,0,0,0,0|1,0,1]=4 211 B15R2.984 B(c1cc2ccccc2nc1Br)(O)O L20327 [0,2,0,0,0,0|1,0,1]=4 212 B15R2.984 B(c1cc2ccccc2nc1Cl)(O)O L20329 [0,2,0,0,0,0|1,0,1]=4 213 B15R2.984 B(c1cc2ccccc2nc1F)(O)O L20341 [0,2,0,0,0,0|1,0,1]=4 214 B15R2.984 CC(=O)c1cc2ccccc2oc1=O A12532 [0,2,0,0,0,0|1,0,1]=4 215 B15R2.984 c1ccc2c(c1)cc(c(=O)o2)C(=O)O L07133 [0,2,0,0,0,0|1,0,0]=3 216 B15R2.984 c1ccc2cc(c(cc2c1)C(=O)O)N L19312 [0,2,0,0,0,0|2,0,0]=4 217 B15R2.984 c1ccc2cc(c(cc2c1)C(=O)O)O A19214 [0,2,0,0,0,0|1,0,0]=3 218 B13R2.435 CC(=O)c1cc2ccccc2o1 L13771 [0,0,1,1,0,0|1,0,0]=3 219 B13R2.435 CC(=O)c1cc2ccccc2s1 B21173 [0,0,1,1,0,0|1,1,0]=4 220 B13R2.435 c1cc2c(cc(o2)C(=O)O)nc1 H34400 [0,0,1,1,0,0|2,0,0]=4 221 B13R2.435 c1ccc2c(c1)cc([nH]2)C(=O)O A18690 [0,0,1,1,0,0|2,0,0]=4 222 B13R2.435 c1ccc2c(c1)cc(o2)C(=O)O A15579 [0,0,1,1,0,0|1,0,0]=3 223 B13R2.435 c1ccc2c(c1)cc(s2)C(=O)Cl L08140 [0,0,1,1,0,0|1,1,0]=4 224 B13R2.435 c1ccc2c(c1)cc(s2)C(=O)N A12292 [0,0,1,1,0,0|0,1,0]=3 225 B13R2.435 c1ccc2c(c1)cc(s2)C(=O)O A12471 [0,0,1,1,0,0|1,1,0]=4 226 B13R2.1613 c1ccc2c(c1)cccc2C=O A15610 [0,0,1,1,0,0|2,0,0]=4 227 B11R1.36 c1ccc(cc1)C(=O)C(=O)O L00648 [0,0,1,0,1,0|1,0,0]=3 228 B11R1.36 c1ccc(cc1)C(C(=O)N)O L04679 [0,0,1,0,1,0|0,0,1]=3 229 B11R1.36 c1ccc(cc1)C(C(=O)O)O A14223 [0,0,1,0,1,0|1,0,1]=4 230 B11R1.36 c1ccc(cc1)[C@@H](C(=O)N)N H65751 [0,0,1,0,1,0|1,0,1]=4 231 B11R1.36 c1ccc(cc1)[C@@H](C(=O)O)O A15061 [0,0,1,0,1,0|1,0,1]=4 232 B11R1.36 c1ccc(cc1)[C@H](C(=O)O)O A14767 [0,0,1,0,1,0|1,0,1]=4 233 B11R1.36 c1ccc(cc1)[C@H](C(=O)O)O L19116 [0,0,1,0,1,0|1,0,1]=4 234 B11R1.222 c1ccc(c(c1)C(=O)NO)O A11528 [0,0,1,0,1,0|2,0,0]=4 235 B11R2.1 Cc1c[nH]c2c1cccc2 L03890 [1,0,0,0,1,0|1,0,0]=3 236 B11R2.1 Cc1csc2c1cccc2 A15772 [1,0,0,0,1,0|2,0,0]=4 237 B11R2.1 Cn1ccc2c1cccc2 A12605 [1,0,0,0,1,0|2,0,0]=4 238 B11R2.1 c1cc2c(c[nH]c2nc1)Br H66137 [1,0,0,0,1,0|2,0,0]=4 239 B11R2.1 c1cc2c(c[nH]c2nc1)I H59457 [1,0,0,0,1,0|2,0,0]=4 240 B11R2.1 c1ccc2c(c1)C(=O)CO2 A10202 [1,0,0,0,1,0|1,0,1]=4 241 B11R2.1 c1ccc2c(c1)C(=O)N=N2 L05860 [1,0,0,0,1,0|2,0,0]=4 242 B11R2.1 c1ccc2c(c1)CCC2=O A11056 [1,0,0,0,1,0|0,0,2]=4 243 B11R2.1 c1ccc2c(c1)COC2=O A15516 [1,0,0,0,1,0|1,0,1]=4 244 B11R2.1 c1ccc2c(c1)c(=O)[nH]o2 H50899 [1,0,0,0,1,0|2,0,0]=4 245 B11R2.1 c1ccc2c(c1)c(=O)[nH]s2 H60492 [1,0,0,0,1,0|2,0,0]=4 246 B11R2.1 c1ccc2c(c1)c(c[nH]2)I H66490 [1,0,0,0,1,0|1,0,0]=3 247 B11R2.1 c1ccc2c(c1)c(cs2)Br H32948 [1,0,0,0,1,0|2,0,0]=4 248 B11R2.1 c1ccc2c(c1)c(n[nH]2)Br H37775 [1,0,0,0,1,0|2,0,0]=4 249 B11R2.1 c1ccc2c(c1)c(n[nH]2)N H33435 [1,0,0,0,1,0|2,0,0]=4 250 B11R2.10 CC1=Cc2ccccc2C1 H26875 [1,0,0,0,1,0|1,0,1]=4 251 B11R2.10 Cc1[nH]c2ccccc2n1 A17290 [1,0,0,0,1,0|2,0,0]=4 252 B11R2.10 Cc1cc2ccccc2[nH]1 A10764 [1,0,0,0,1,0|1,0,0]=3 253 B11R2.10 Cc1cc2ccccc2s1 H32224 [1,0,0,0,1,0|2,0,0]=4 254 B11R2.10 c1cc2c([nH]c(=O)o2)nc1 H66234 [1,0,0,0,1,0|2,0,0]=4 255 B11R2.10 c1ccc2c(c1)CC(=C2)Br B25474 [1,0,0,0,1,0|1,0,1]=4 256 B11R2.10 c1ccc2c(c1)CC(=O)C2 A12574 [1,0,0,0,1,0|1,0,1]=4 257 B11R2.10 c1ccc2c(c1)CC(=O)N2 A18764 [1,0,0,0,1,0|0,0,1]=3 258 B11R2.10 c1ccc2c(c1)CC(=O)O2 A18617 [1,0,0,0,1,0|1,0,1]=4 259 B11R2.10 c1ccc2c(c1)[nH]c(=O)o2 A19378 [1,0,0,0,1,0|1,0,0]=3 260 B11R2.10 c1ccc2c(c1)[nH]c(n2)Br H26183 [1,0,0,0,1,0|2,0,0]=4 261 B11R2.10 c1ccc2c(c1)[nH]c(n2)Cl A12193 [1,0,0,0,1,0|2,0,0]=4 262 B11R2.10 c1ccc2c(c1)[nH]c(n2)N L02066 [1,0,0,0,1,0|2,0,0]=4 263 B11R2.10 c1ccc2c(c1)[nH]c(n2)O A18324 [1,0,0,0,1,0|1,0,0]=3 264 B11R2.10 c1ccc2c(c1)[nH]c(n2)S A18350 [1,0,0,0,1,0|1,1,0]=4 265 B11R2.10 c1ccc2c(c1)nc(s2)O A16648 [1,0,0,0,1,0|1,0,1]=4 266 B11R2.36 c1cc(cc2c1cc[nH]2)O H55951 [1,0,0,0,1,0|2,0,0]=4 267 B11R2.36 c1cc2c(cc[nH]2)cc1O L00858 [1,0,0,0,1,0|2,0,0]=4 268 B13R1.348 CC(=O)CC(=O)Nc1ccccc1 A17534 [0,0,1,0,0,1|0,0,2]=4 269 B13R1.351 CC(=C)C(=O)OCc1ccccc1 L10840 [0,0,1,0,0,1|2,0,0]=4