0 B13R2.369 CC1C(=O)Nc2ccccc2O1 H61075 [0,0,0,0,0,0|2,0,2]=4 1 B13R2.369 CC1C(=O)Nc2ccccc2S1 H61012 [0,0,0,0,0,0|3,0,1]=4 2 B13R2.369 Cc1c(=O)[nH]c2ccccc2n1 H51733 [0,0,0,0,0,0|3,0,0]=3 3 B13R2.369 Cc1c(nc2ccccc2n1)C B23313 [0,0,0,0,0,0|4,0,0]=4 4 B13R2.369 Cc1c(nc2ccccc2n1)Cl H51734 [0,0,0,0,0,0|4,0,0]=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|3,0,0]=3 7 B13R2.369 c1ccc2c(c1)cc(c(=O)o2)Cl H27494 [0,0,0,0,0,0|1,0,0]=1 8 B13R2.369 c1ccc2c(c1)cc(c(=O)o2)N L14031 [0,0,0,0,0,0|1,0,0]=1 9 B13R2.369 c1ccc2c(c1)nc(c(n2)Cl)Cl A11734 [0,0,0,0,0,0|4,0,0]=4 10 B13R2.369 c1ccc2c(c1)nc(c(n2)O)O L07581 [0,0,0,0,0,0|2,0,1]=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|2,0,0]=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|2,0,0]=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|3,0,0]=4 20 B12R2.24 Cc1cnc2ccccc2n1 A15895 [1,0,0,0,0,0|3,0,0]=4 21 B12R2.24 c1cc(=O)[nH]c2c1cncc2 H50121 [1,0,0,0,0,0|2,0,0]=3 22 B12R2.24 c1cc(cc2c1ccnc2)O L17067 [1,0,0,0,0,0|2,0,0]=3 23 B12R2.24 c1cc2cc(ccc2nc1)Br H55111 [1,0,0,0,0,0|3,0,0]=4 24 B12R2.24 c1cc2cc(ccc2nc1)Cl L20164 [1,0,0,0,0,0|3,0,0]=4 25 B12R2.24 c1cc2cc(ccc2nc1)F H35900 [1,0,0,0,0,0|3,0,0]=4 26 B12R2.24 c1cc2cc(ccc2nc1)N L13819 [1,0,0,0,0,0|3,0,0]=4 27 B12R2.24 c1cc2ccc(cc2nc1)Br H63987 [1,0,0,0,0,0|3,0,0]=4 28 B12R2.24 c1ccc2c(c1)CCC(=O)C2 L01053 [1,0,0,0,0,0|1,0,2]=4 29 B12R2.24 c1ccc2c(c1)CCC(=O)N2 H36638 [1,0,0,0,0,0|1,0,2]=4 30 B12R2.24 c1ccc2c(c1)CCC(=O)O2 B21229 [1,0,0,0,0,0|0,0,2]=3 31 B12R2.24 c1ccc2c(c1)CNC(=O)N2 L07763 [1,0,0,0,0,0|2,0,1]=4 32 B12R2.24 c1ccc2c(c1)NC(=O)CO2 H27622 [1,0,0,0,0,0|1,0,2]=4 33 B12R2.24 c1ccc2c(c1)NC(=O)CS2 A11091 [1,0,0,0,0,0|2,0,1]=4 34 B12R2.24 c1ccc2c(c1)cc(cn2)Br A14573 [1,0,0,0,0,0|2,0,0]=3 35 B12R2.24 c1ccc2c(c1)cc(cn2)N A16592 [1,0,0,0,0,0|2,0,0]=3 36 B12R2.24 c1ccc2c(c1)cc(cn2)[Zn+] H58426 [1,0,0,0,0,0|2,0,0]=3 37 B12R2.24 c1ccc2c(c1)ccc(=O)o2 A15336 [1,0,0,0,0,0|0,0,0]=1 38 B12R2.24 c1ccc2c(c1)ccc(n2)Br H27302 [1,0,0,0,0,0|2,0,0]=3 39 B12R2.24 c1ccc2c(c1)ccc(n2)Cl B23443 [1,0,0,0,0,0|2,0,0]=3 40 B12R2.24 c1ccc2c(c1)ccc(n2)O B23064 [1,0,0,0,0,0|1,0,1]=3 41 B12R2.24 c1ccc2c(c1)ccc(n2)S H55749 [1,0,0,0,0,0|1,1,0]=3 42 B12R2.24 c1ccc2c(c1)ncc(n2)Br H61967 [1,0,0,0,0,0|3,0,0]=4 43 B12R2.24 c1ccc2c[n+](ccc2c1)[O-] A19738 [1,0,0,0,0,0|2,0,1]=4 44 B12R2.24 c1ccc2c[n+](ccc2c1)[O-] L14794 [1,0,0,0,0,0|2,0,1]=4 45 B12R2.24 c1ccc2cc(ccc2c1)Br A15300 [1,0,0,0,0,0|2,0,0]=3 46 B12R2.24 c1ccc2cc(ccc2c1)O A14564 [1,0,0,0,0,0|1,0,0]=2 47 B12R2.24 c1ccc2cc(ccc2c1)[Mg+] H51160 [1,0,0,0,0,0|2,0,0]=3 48 B12R2.24 c1ccc2cnc(cc2c1)O L19428 [1,0,0,0,0,0|2,0,0]=3 49 B14R2.1128 c1ccc2c(c1)[nH]c(=O)c(n2)CBr H27169 [0,1,0,0,0,0|3,0,0]=4 50 B14R2.1128 c1ccc2c(c1)cc(c(=O)[nH]2)C=O H33508 [0,1,0,0,0,0|1,0,1]=3 51 B14R2.1128 c1ccc2c(c1)cc(c(=O)o2)C#N H27871 [0,1,0,0,0,0|1,0,0]=2 52 B14R2.1128 c1ccc2c(c1)cc(c(n2)Cl)C=O H27133 [0,1,0,0,0,0|2,0,1]=4 53 B14R2.8239 c1cc(=O)oc2c1cc(c(c2)O)O A15393 [0,1,0,0,0,0|2,0,1]=4 54 B14R2.8239 c1cc2c(cc1Cl)[nH]c(=O)c(=O)[nH]2 L14038 [0,1,0,0,0,0|2,0,1]=4 55 B12R1.43 CC(=C)C(=O)Oc1ccccc1 L11978 [0,0,1,0,0,0|1,0,0]=2 56 B12R1.43 C\C(=C/c1ccccc1)\C(=O)O L00806 [0,0,1,0,0,0|1,0,0]=2 57 B12R1.43 c1ccc(cc1)CC(=O)C(=O)[O-] A14027 [0,0,1,0,0,0|0,0,3]=4 58 B12R1.43 c1ccc(cc1)CC(=O)C(=O)[O-] H56767 [0,0,1,0,0,0|0,0,3]=4 59 B12R1.43 c1ccc(cc1)CC(C(=O)O)N A10132 [0,0,1,0,0,0|1,0,2]=4 60 B12R1.43 c1ccc(cc1)CC(C(=O)O)O L09854 [0,0,1,0,0,0|0,0,2]=3 61 B12R1.43 c1ccc(cc1)C[C@@H](C(=O)O)N A13238 [0,0,1,0,0,0|1,0,2]=4 62 B12R1.43 c1ccc(cc1)C[C@@H](C(=O)O)O A18203 [0,0,1,0,0,0|0,0,2]=3 63 B12R1.43 c1ccc(cc1)C[C@H](C(=O)O)N A10572 [0,0,1,0,0,0|1,0,2]=4 64 B12R1.43 c1ccc(cc1)C[C@H](C(=O)O)O H35096 [0,0,1,0,0,0|0,0,2]=3 65 B12R1.43 c1ccc(cc1)N[C@H](C(=O)O)Cl H28776 [0,0,1,0,0,0|2,0,1]=4 66 B12R2.18 CC1c2ccccc2NC1=O H27662 [0,0,0,0,1,0|2,0,1]=4 67 B12R2.18 Cc1c([nH]c2c1cccc2)C A18504 [0,0,0,0,1,0|3,0,0]=4 68 B12R2.18 c1ccc2c(c1)C(=O)C(=O)N2 A12468 [0,0,0,0,1,0|1,0,1]=3 69 B12R2.18 c1ccc2c(c1)CC(C2=O)Br L12453 [0,0,0,0,1,0|1,0,2]=4 70 B12R2.100 c1c[nH]c2c1cc(c(c2)O)O H66709 [0,0,0,0,1,0|2,0,1]=4 71 B11R1.40 C=CC(=O)Oc1ccccc1 L11819 [1,0,1,0,0,0|0,0,0]=2 72 B11R1.40 COC(=O)Oc1ccccc1 B25232 [1,0,1,0,0,0|1,0,1]=4 73 B11R1.40 C\C(=C/c1ccccc1)\C=O A10429 [1,0,1,0,0,0|1,0,0]=3 74 B11R1.40 c1ccc(cc1)OC(=O)CBr H60464 [1,0,1,0,0,0|1,0,1]=4 75 B11R1.40 c1ccc(cc1)\C=C(\C=O)/Br A14230 [1,0,1,0,0,0|1,0,0]=3 76 B11R1.91 B(\C=C\c1ccccc1)(O)O H53227 [1,0,1,0,0,0|1,0,1]=4 77 B11R1.91 CC(=C)COc1ccccc1 B22369 [1,0,1,0,0,0|1,0,1]=4 78 B11R1.91 CC(=O)\C=C\c1ccccc1 A13537 [1,0,1,0,0,0|1,0,0]=3 79 B11R1.91 c1cc(cnc1)\C=C\C(=O)O A14747 [1,0,1,0,0,0|1,0,0]=3 80 B11R1.91 c1ccc(cc1)C#CC(=O)O A15163 [1,0,1,0,0,0|0,0,2]=4 81 B11R1.91 c1ccc(cc1)CCC(=O)O A14908 [1,0,1,0,0,0|0,0,2]=4 82 B11R1.91 c1ccc(cc1)NCC(=O)O A14182 [1,0,1,0,0,0|1,0,1]=4 83 B11R1.91 c1ccc(cc1)OCC(=O)O A12541 [1,0,1,0,0,0|1,0,1]=4 84 B11R1.91 c1ccc(cc1)SCC(=O)O B22280 [1,0,1,0,0,0|1,0,1]=4 85 B11R1.91 c1ccc(cc1)\C=C\C(=O)Cl A12016 [1,0,1,0,0,0|1,0,0]=3 86 B11R1.91 c1ccc(cc1)\C=C\C(=O)N A13429 [1,0,1,0,0,0|1,0,0]=3 87 B11R1.91 c1ccc(cc1)\C=C\C(=O)O A13538 [1,0,1,0,0,0|0,0,0]=2 88 B11R1.91 c1ccc(cc1)\C=C\[N+](=O)[O-] L14367 [1,0,1,0,0,0|1,0,1]=4 89 B11R1.91 c1cnccc1\C=C\C(=O)O L13458 [1,0,1,0,0,0|1,0,0]=3 90 B11R1.86 CC(=O)Nc1ccccc1O B21264 [1,0,1,0,0,0|2,0,0]=4 91 B11R1.86 Cc1ccccc1CC(=O)O A15783 [1,0,1,0,0,0|1,0,1]=4 92 B11R1.86 c1ccc(c(c1)CC(=O)O)Br A16900 [1,0,1,0,0,0|1,0,1]=4 93 B11R1.86 c1ccc(c(c1)CC(=O)O)Cl A15834 [1,0,1,0,0,0|1,0,1]=4 94 B11R1.86 c1ccc(c(c1)CC(=O)O)F A10596 [1,0,1,0,0,0|1,0,1]=4 95 B11R1.86 c1ccc(c(c1)CC(=O)O)I L15116 [1,0,1,0,0,0|1,0,1]=4 96 B11R1.86 c1ccc(c(c1)CC(=O)O)O A13924 [1,0,1,0,0,0|0,0,1]=3 97 B11R2.20 c1cc2c(cccn2)nc1 H64484 [2,0,0,0,0,0|2,0,0]=4 98 B11R2.20 c1ccc2c(c1)CCC=C2 L11430 [2,0,0,0,0,0|1,0,1]=4 99 B11R2.20 c1ccc2c(c1)ccc[nH+]2 H55300 [2,0,0,0,0,0|1,0,0]=3 100 B11R2.20 c1ccc2c(c1)cccn2 43225 [2,0,0,0,0,0|1,0,0]=3 101 B11R2.20 c1ccc2c(c1)cccn2 A11545 [2,0,0,0,0,0|1,0,0]=3 102 B11R2.20 c1ccc2c(c1)cncn2 B24094 [2,0,0,0,0,0|2,0,0]=4 103 B11R2.20 c1ccc2c(c1)nccn2 A14055 [2,0,0,0,0,0|2,0,0]=4 104 B11R2.20 c1ccc2ccccc2c1 33347 [2,0,0,0,0,0|1,0,0]=3 105 B11R2.20 c1ccc2ccccc2c1 A13188 [2,0,0,0,0,0|1,0,0]=3 106 B11R2.20 c1ccc2cnccc2c1 B21279 [2,0,0,0,0,0|2,0,0]=4 107 B13R1.418 c1ccc(cc1)\C=C(/C#N)\C(=O)O L04133 [0,1,1,0,0,0|1,0,0]=3 108 B13R2.32 Cc1ccc2ccccc2c1Br L05093 [1,1,0,0,0,0|2,0,0]=4 109 B13R2.32 Cc1ccc2ccccc2c1C L09774 [1,1,0,0,0,0|2,0,0]=4 110 B13R2.32 Cc1ccc2ccccc2c1[Mg+] H54388 [1,1,0,0,0,0|2,0,0]=4 111 B13R2.32 Cn1c2ccccc2ccc1=O L09410 [1,1,0,0,0,0|1,0,0]=3 112 B13R2.32 c1ccc2c(c1)C=CC(=S)C2O A12125 [1,1,0,0,0,0|1,1,0]=4 113 B13R2.32 c1ccc2c(c1)c(=O)c(co2)Br A14591 [1,1,0,0,0,0|1,0,0]=3 114 B13R2.32 c1ccc2c(c1)c(=O)c(co2)I H34295 [1,1,0,0,0,0|1,0,0]=3 115 B13R2.32 c1ccc2c(c1)ccc(c2Br)O A18692 [1,1,0,0,0,0|1,0,0]=3 116 B13R2.32 c1ccc2c(c1)ccc(c2N)O B24492 [1,1,0,0,0,0|1,0,0]=3 117 B13R2.32 c1ccc2c(c1)ccc(c2O)Br H66429 [1,1,0,0,0,0|2,0,0]=4 118 B13R2.57 C=Cc1ccc2ccccc2c1 A12470 [1,1,0,0,0,0|2,0,0]=4 119 B13R2.57 COc1ccc2c(c1)cccn2 A11736 [1,1,0,0,0,0|2,0,0]=4 120 B13R2.57 COc1ccc2ccccc2c1 A17650 [1,1,0,0,0,0|1,0,0]=3 121 B13R2.57 CSc1ccc2ccccc2c1 B22368 [1,1,0,0,0,0|1,1,0]=4 122 B13R2.57 c1ccc2c(c1)cc(cn2)C=O L13815 [1,1,0,0,0,0|1,0,1]=4 123 B13R2.57 c1ccc2c(c1)ccc(n2)C#N L19427 [1,1,0,0,0,0|2,0,0]=4 124 B13R2.57 c1ccc2c(c1)ccc(n2)C=O L20202 [1,1,0,0,0,0|1,0,0]=3 125 B13R2.57 c1ccc2c(c1)ccc(n2)CCl A14102 [1,1,0,0,0,0|2,0,0]=4 126 B13R2.57 c1ccc2c(c1)ccc(n2)NN H50700 [1,1,0,0,0,0|2,0,0]=4 127 B13R2.57 c1ccc2cc(ccc2c1)C#N L03704 [1,1,0,0,0,0|2,0,0]=4 128 B13R2.57 c1ccc2cc(ccc2c1)C=O B25157 [1,1,0,0,0,0|1,0,0]=3 129 B13R2.57 c1ccc2cc(ccc2c1)CBr B24568 [1,1,0,0,0,0|2,0,0]=4 130 B13R2.57 c1ccc2cc(ccc2c1)CCl H50242 [1,1,0,0,0,0|2,0,0]=4 131 B13R2.155 Cc1ccc2ccc(cc2c1)C B21704 [1,1,0,0,0,0|2,0,0]=4 132 B13R2.155 c1cc(cc2c1ccc(=O)o2)O L04082 [1,1,0,0,0,0|0,0,0]=2 133 B13R2.155 c1cc(cc2c1ccc(c2)Br)Br H56097 [1,1,0,0,0,0|2,0,0]=4 134 B13R2.155 c1cc(cc2c1ccc(c2)O)O A10229 [1,1,0,0,0,0|1,0,0]=3 135 B13R2.162 Cc1ccc2cccc(c2c1)C A18030 [1,1,0,0,0,0|2,0,0]=4 136 B13R2.162 Cc1ccc2cccc(c2n1)Cl B20504 [1,1,0,0,0,0|2,0,0]=4 137 B13R2.162 Cc1ccc2cccc(c2n1)O L06989 [1,1,0,0,0,0|2,0,0]=4 138 B13R2.162 c1cc(=O)[nH]c2c1cncc2Br H50045 [1,1,0,0,0,0|2,0,0]=4 139 B13R2.162 c1cc2c(cc(cn2)Br)c(c1)Br H54859 [1,1,0,0,0,0|2,0,0]=4 140 B13R2.162 c1cc2ccc(cc2c(c1)N)O A19404 [1,1,0,0,0,0|1,0,0]=3 141 B13R2.162 c1cc2ccc(cc2c(c1)O)O H28261 [1,1,0,0,0,0|1,0,0]=3 142 B13R2.162 c1cc2ccc(nc2c(c1)F)Cl H33446 [1,1,0,0,0,0|2,0,0]=4 143 B13R2.328 Cc1cc(c2ccccc2n1)Cl A15002 [1,1,0,0,0,0|2,0,0]=4 144 B13R2.328 Cc1cc(c2ccccc2n1)N L14295 [1,1,0,0,0,0|2,0,0]=4 145 B13R2.328 Cc1cc(c2ccccc2n1)O A14587 [1,1,0,0,0,0|2,0,0]=4 146 B13R2.328 Cc1cc(nc2c1cccc2)C L08348 [1,1,0,0,0,0|2,0,0]=4 147 B13R2.328 Cc1cc(nc2c1cccc2)Cl H26504 [1,1,0,0,0,0|2,0,0]=4 148 B13R2.328 Cc1cc(nc2c1cccc2)O L07417 [1,1,0,0,0,0|1,0,1]=4 149 B13R2.328 Cc1cc(nc2c1cccc2)S H34098 [1,1,0,0,0,0|1,1,0]=4 150 B13R2.328 Cc1cc2ccccc2[n+](c1)[O-] L10635 [1,1,0,0,0,0|2,0,0]=4 151 B13R2.328 c1ccc2c(c1)CC(=O)OC2=O A15538 [1,1,0,0,0,0|2,0,0]=4 152 B13R2.328 c1ccc2c(c1)c(=O)oc(=O)[nH]2 A14603 [1,1,0,0,0,0|2,0,0]=4 153 B13R2.328 c1ccc2c(c1)c(cc(=O)o2)O A14394 [1,1,0,0,0,0|0,0,0]=2 154 B13R2.328 c1ccc2c(c1)c(cc(n2)N)O L12760 [1,1,0,0,0,0|2,0,0]=4 155 B13R2.328 c1ccc2c(c1)c(cc(n2)O)O B20747 [1,1,0,0,0,0|1,0,1]=4 156 B13R2.328 c1ccc2c(c1)c(cc(n2)O)[O-] L12348 [1,1,0,0,0,0|1,0,1]=4 157 B13R2.328 c1ccc2c(c1)cc(cc2O)O A17739 [1,1,0,0,0,0|1,0,0]=3 158 B13R2.3683 Cc1ccc2c(c1)ccc(=O)o2 A19382 [1,1,0,0,0,0|0,0,0]=2 159 B13R2.3683 Cc1ccc2c(c1)ccc(n2)C B23934 [1,1,0,0,0,0|2,0,0]=4 160 B13R2.3683 Cc1ccc2cc(ccc2n1)Br H27447 [1,1,0,0,0,0|2,0,0]=4 161 B13R2.3683 Cc1ccc2cc(ccc2n1)F A11469 [1,1,0,0,0,0|2,0,0]=4 162 B13R2.3683 Cc1ccc2cc(ccc2n1)N A13967 [1,1,0,0,0,0|2,0,0]=4 163 B13R2.3683 Cc1ccc2cc(ccc2n1)O A18846 [1,1,0,0,0,0|2,0,0]=4 164 B13R2.3683 c1cc(=O)[nH]c2c1cc(cc2)Br H54095 [1,1,0,0,0,0|1,0,0]=3 165 B13R2.3683 c1cc(=O)[nH]c2c1cc(cn2)Br H50042 [1,1,0,0,0,0|2,0,0]=4 166 B13R2.3683 c1cc(=O)oc2c1cc(cc2)N L11168 [1,1,0,0,0,0|0,0,0]=2 167 B13R2.3683 c1cc(cc2c1cc(cc2)Br)Br L16134 [1,1,0,0,0,0|2,0,0]=4 168 B13R2.3683 c1cc(cc2c1cc(cc2)Br)O A18535 [1,1,0,0,0,0|1,0,0]=3 169 B13R2.3683 c1cc(cc2c1cc(cc2)O)O B21465 [1,1,0,0,0,0|1,0,0]=3 170 B13R2.3683 c1cc(nc2c1cc(cc2)Br)Cl H54895 [1,1,0,0,0,0|2,0,0]=4 171 B13R2.5179 c1cc2cc(ccc2c(c1)O)O L15801 [1,1,0,0,0,0|1,0,0]=3 172 B13R2.45 Cc1c2ccccc2[nH]c1C=O H66393 [0,1,0,0,1,0|2,0,0]=4 173 B13R2.45 Cc1c2ccccc2sc1C=O A11375 [0,1,0,0,1,0|1,1,0]=4 174 B13R2.135 c1ccc2c(c1)\C(=N\O)\C(=O)N2 B22732 [0,1,0,0,1,0|1,0,0]=3 175 B13R2.135 c1ccc2c(c1)c(c([nH]2)Cl)C=O H34381 [0,1,0,0,1,0|2,0,0]=4 176 B13R2.3028 Cc1ccc2c(c1)C(=O)C(=O)N2 L08009 [0,1,0,0,1,0|1,0,1]=4 177 B13R2.3028 c1cc2c(cc1Br)C(=O)C(=O)N2 A13641 [0,1,0,0,1,0|1,0,1]=4 178 B13R2.3028 c1cc2c(cc1Br)C(C(=O)N2)O A15869 [0,1,0,0,1,0|1,0,1]=4 179 B13R2.3028 c1cc2c(cc1Cl)C(=O)C(=O)N2 A13125 [0,1,0,0,1,0|1,0,1]=4 180 B13R2.3028 c1cc2c(cc1F)C(=O)C(=O)N2 B20831 [0,1,0,0,1,0|1,0,1]=4 181 B13R2.3028 c1cc2c(cc1I)C(=O)C(=O)N2 A14988 [0,1,0,0,1,0|1,0,1]=4 182 B13R2.3085 CN1C(=O)c2ccccc2C1=O L08991 [0,1,0,0,1,0|2,0,0]=4 183 B13R2.3085 CN1c2ccccc2C(=O)C1=O A12942 [0,1,0,0,1,0|1,0,1]=4 184 B13R2.3085 c1ccc2c(c1)C(=O)N(C2=O)Br A11601 [0,1,0,0,1,0|2,0,0]=4 185 B13R2.3085 c1ccc2c(c1)C(=O)N(C2=O)N A19914 [0,1,0,0,1,0|2,0,0]=4 186 B13R2.3085 c1ccc2c(c1)C(=O)N(C2=O)O A13862 [0,1,0,0,1,0|1,0,0]=3 187 B13R2.3085 c1ccc2c(c1)c(=O)c(=O)c2=O 43846 [0,1,0,0,1,0|0,0,1]=3 188 B13R2.3085 c1ccc2c(c1)c(=O)c(=O)c2=O A10409 [0,1,0,0,1,0|0,0,1]=3 189 B13R2.4825 c1cc2c(c(c1)Br)NC(=O)C2=O H32843 [0,1,0,0,1,0|1,0,1]=4 190 B13R2.4825 c1cc2c(c(c1)Cl)NC(=O)C2=O H55594 [0,1,0,0,1,0|1,0,1]=4 191 B13R2.4825 c1cc2c(c(c1)F)NC(=O)C2=O H26827 [0,1,0,0,1,0|1,0,1]=4 192 B13R2.4825 c1cc2c(c(c1)I)NC(=O)C2=O H52344 [0,1,0,0,1,0|1,0,1]=4 193 B15R2.117 COc1cc2ccccc2cc1OC H55523 [0,2,0,0,0,0|1,0,1]=4 194 B15R2.984 B(c1cc2ccccc2nc1Br)(O)O L20327 [0,2,0,0,0,0|2,0,0]=4 195 B15R2.984 B(c1cc2ccccc2nc1Cl)(O)O L20329 [0,2,0,0,0,0|2,0,0]=4 196 B15R2.984 B(c1cc2ccccc2nc1F)(O)O L20341 [0,2,0,0,0,0|2,0,0]=4 197 B15R2.984 CC(=O)c1cc2ccccc2oc1=O A12532 [0,2,0,0,0,0|0,0,1]=3 198 B15R2.984 c1ccc2c(c1)cc(c(=O)o2)C(=O)O L07133 [0,2,0,0,0,0|0,0,0]=2 199 B15R2.984 c1ccc2cc(c(cc2c1)C(=O)O)N L19312 [0,2,0,0,0,0|2,0,0]=4 200 B15R2.984 c1ccc2cc(c(cc2c1)C(=O)O)O A19214 [0,2,0,0,0,0|1,0,0]=3 201 B13R2.435 B(c1cc2ccccc2o1)(O)O B23676 [0,0,1,1,0,0|1,0,1]=4 202 B13R2.435 CC(=O)c1cc2ccccc2o1 L13771 [0,0,1,1,0,0|1,0,0]=3 203 B13R2.435 CC(=O)c1cc2ccccc2s1 B21173 [0,0,1,1,0,0|1,1,0]=4 204 B13R2.435 c1cc2c(cc(o2)C(=O)O)nc1 H34400 [0,0,1,1,0,0|1,0,0]=3 205 B13R2.435 c1ccc2c(c1)cc([nH]2)C(=O)O A18690 [0,0,1,1,0,0|1,0,0]=3 206 B13R2.435 c1ccc2c(c1)cc(o2)C(=O)O A15579 [0,0,1,1,0,0|0,0,0]=2 207 B13R2.435 c1ccc2c(c1)cc(s2)C(=O)Cl L08140 [0,0,1,1,0,0|1,1,0]=4 208 B13R2.435 c1ccc2c(c1)cc(s2)C(=O)N A12292 [0,0,1,1,0,0|1,1,0]=4 209 B13R2.435 c1ccc2c(c1)cc(s2)C(=O)O A12471 [0,0,1,1,0,0|0,1,0]=3 210 B13R2.435 c1ccn2cc(nc2c1)C(=O)O H35025 [0,0,1,1,0,0|2,0,0]=4 211 B13R2.1613 c1ccc2c(c1)cccc2C=O A15610 [0,0,1,1,0,0|2,0,0]=4 212 B11R1.36 CC(c1ccccc1)C(=O)O L00709 [0,0,1,0,1,0|1,0,1]=4 213 B11R1.36 C[C@@H](c1ccccc1)C(=O)O L08802 [0,0,1,0,1,0|1,0,1]=4 214 B11R1.36 C[C@H](c1ccccc1)C(=O)O A17639 [0,0,1,0,1,0|1,0,1]=4 215 B11R1.36 c1ccc(cc1)C(=O)C(=O)O L00648 [0,0,1,0,1,0|0,0,1]=3 216 B11R1.36 c1ccc(cc1)C(C(=O)N)O L04679 [0,0,1,0,1,0|1,0,1]=4 217 B11R1.36 c1ccc(cc1)C(C(=O)O)F L01745 [0,0,1,0,1,0|1,0,1]=4 218 B11R1.36 c1ccc(cc1)C(C(=O)O)N B21129 [0,0,1,0,1,0|1,0,1]=4 219 B11R1.36 c1ccc(cc1)C(C(=O)O)O A14223 [0,0,1,0,1,0|0,0,1]=3 220 B11R1.36 c1ccc(cc1)[C@@H](C(=O)O)N A15669 [0,0,1,0,1,0|1,0,1]=4 221 B11R1.36 c1ccc(cc1)[C@@H](C(=O)O)N A19360 [0,0,1,0,1,0|1,0,1]=4 222 B11R1.36 c1ccc(cc1)[C@@H](C(=O)O)O A15061 [0,0,1,0,1,0|0,0,1]=3 223 B11R1.36 c1ccc(cc1)[C@H](C(=O)O)O A14767 [0,0,1,0,1,0|0,0,1]=3 224 B11R1.36 c1ccc(cc1)[C@H](C(=O)O)O L19116 [0,0,1,0,1,0|0,0,1]=3 225 B11R1.222 c1ccc(c(c1)C(=O)NO)O A11528 [0,0,1,0,1,0|2,0,0]=4 226 B11R2.1 Cc1c[nH]c2c1cccc2 L03890 [1,0,0,0,1,0|2,0,0]=4 227 B11R2.1 Cc1csc2c1cccc2 A15772 [1,0,0,0,1,0|1,1,0]=4 228 B11R2.1 Cn1ccc2c1cccc2 A12605 [1,0,0,0,1,0|2,0,0]=4 229 B11R2.1 c1cc2c(c(co2)Br)nc1 H33652 [1,0,0,0,1,0|2,0,0]=4 230 B11R2.1 c1ccc2c(c1)C(=O)CO2 A10202 [1,0,0,0,1,0|0,0,2]=4 231 B11R2.1 c1ccc2c(c1)C(=O)N=N2 L05860 [1,0,0,0,1,0|2,0,0]=4 232 B11R2.1 c1ccc2c(c1)CCC2=O A11056 [1,0,0,0,1,0|0,0,2]=4 233 B11R2.1 c1ccc2c(c1)COC2=O A15516 [1,0,0,0,1,0|1,0,1]=4 234 B11R2.1 c1ccc2c(c1)c(=O)[nH]o2 H50899 [1,0,0,0,1,0|1,0,1]=4 235 B11R2.1 c1ccc2c(c1)c(=O)[nH]s2 H60492 [1,0,0,0,1,0|2,0,0]=4 236 B11R2.1 c1ccc2c(c1)c(c[nH]2)I H66490 [1,0,0,0,1,0|2,0,0]=4 237 B11R2.1 c1ccc2c(c1)c(cs2)Br H32948 [1,0,0,0,1,0|1,1,0]=4 238 B11R2.10 CC1=Cc2ccccc2C1 H26875 [1,0,0,0,1,0|1,0,1]=4 239 B11R2.10 Cc1cc2ccccc2[nH]1 A10764 [1,0,0,0,1,0|2,0,0]=4 240 B11R2.10 Cc1cc2ccccc2s1 H32224 [1,0,0,0,1,0|1,1,0]=4 241 B11R2.10 Cc1nc2ccccc2o1 A13198 [1,0,0,0,1,0|2,0,0]=4 242 B11R2.10 c1cc2c([nH]c(=O)o2)nc1 H66234 [1,0,0,0,1,0|2,0,0]=4 243 B11R2.10 c1ccc2c(c1)CC(=C2)Br B25474 [1,0,0,0,1,0|1,0,1]=4 244 B11R2.10 c1ccc2c(c1)CC(=O)C2 A12574 [1,0,0,0,1,0|1,0,1]=4 245 B11R2.10 c1ccc2c(c1)CC(=O)N2 A18764 [1,0,0,0,1,0|1,0,1]=4 246 B11R2.10 c1ccc2c(c1)CC(=O)O2 A18617 [1,0,0,0,1,0|0,0,1]=3 247 B11R2.10 c1ccc2c(c1)[nH]c(=O)o2 A19378 [1,0,0,0,1,0|1,0,0]=3 248 B11R2.10 c1ccc2c(c1)[nH]c(n2)O A18324 [1,0,0,0,1,0|2,0,0]=4 249 B11R2.10 c1ccc2c(c1)nc(o2)Cl L07981 [1,0,0,0,1,0|2,0,0]=4 250 B11R2.10 c1ccc2c(c1)nc(o2)S A12346 [1,0,0,0,1,0|1,1,0]=4 251 B11R2.10 c1ccc2c(c1)nc(s2)O A16648 [1,0,0,0,1,0|1,1,0]=4 252 B11R2.36 c1cc(cc2c1cc[nH]2)O H55951 [1,0,0,0,1,0|2,0,0]=4 253 B11R2.36 c1cc2c(cc[nH]2)cc1O L00858 [1,0,0,0,1,0|2,0,0]=4 254 B13R1.348 CC(=O)CC(=O)Oc1ccccc1 L19599 [0,0,1,0,0,1|0,0,2]=4 255 B13R1.351 CC(=C)C(=O)OCc1ccccc1 L10840 [0,0,1,0,0,1|1,0,0]=3 256 B13R1.351 C[C@@H](C(=O)OCc1ccccc1)O L14645 [0,0,1,0,0,1|0,0,2]=4 257 B13R1.351 c1ccc(cc1)CC[C@H](C(=O)O)O H52804 [0,0,1,0,0,1|0,0,2]=4