0 B14R2.203 CC[n+]1c(ccc2c1cccc2)C A10584 [0,0,0,0,0,0|3,0,0]=3 1 B14R2.203 c1cc2c(ccc(c2C#N)Br)nc1 H59484 [0,0,0,0,0,0|2,0,2]=4 2 B14R2.203 c1cc2c(ccc(c2C#N)N)nc1 H59061 [0,0,0,0,0,0|2,0,2]=4 3 B14R2.203 c1ccc2c(c1)ccc(c2C=O)O B23951 [0,0,0,0,0,0|1,0,1]=2 4 B14R2.203 c1ccc2c(c1)ccc(c2N=O)O A10622 [0,0,0,0,0,0|2,0,0]=2 5 B13R2.32 Cc1ccc2ccccc2c1Br L05093 [1,0,0,0,0,0|2,0,0]=3 6 B13R2.32 Cc1ccc2ccccc2c1C L09774 [1,0,0,0,0,0|1,0,0]=2 7 B13R2.32 Cc1ccc2ccccc2c1[Mg+] H54388 [1,0,0,0,0,0|2,0,0]=3 8 B13R2.32 Cn1c2ccccc2ccc1=O L09410 [1,0,0,0,0,0|1,0,1]=3 9 B13R2.32 c1cc2c(ccc(c2Br)N)nc1 H63150 [1,0,0,0,0,0|3,0,0]=4 10 B13R2.32 c1ccc2c(c1)C=CC(=S)C2O A12125 [1,0,0,0,0,0|1,1,1]=4 11 B13R2.32 c1ccc2c(c1)c(=O)c(co2)Br A14591 [1,0,0,0,0,0|3,0,0]=4 12 B13R2.32 c1ccc2c(c1)c(=O)c(co2)I H34295 [1,0,0,0,0,0|3,0,0]=4 13 B13R2.32 c1ccc2c(c1)ccc(c2Br)O A18692 [1,0,0,0,0,0|1,0,0]=2 14 B13R2.32 c1ccc2c(c1)ccc(c2N)O B24492 [1,0,0,0,0,0|0,0,0]=1 15 B13R2.32 c1ccc2c(c1)ccc(c2O)Br H66429 [1,0,0,0,0,0|2,0,0]=3 16 B13R2.1613 C=Cc1cccc2c1cccc2 H51043 [1,0,0,0,0,0|1,0,1]=3 17 B13R2.1613 CC[n+]1cccc2c1cccc2 A17854 [1,0,0,0,0,0|2,0,0]=3 18 B13R2.1613 CCc1cccc2c1cccc2 H56413 [1,0,0,0,0,0|1,0,0]=2 19 B13R2.1613 COc1cccc2c1cccc2 B24825 [1,0,0,0,0,0|2,0,0]=3 20 B13R2.1613 COc1cccc2c1nccc2 H54430 [1,0,0,0,0,0|3,0,0]=4 21 B13R2.1613 c1cc(c2cccnc2c1)C=O L19641 [1,0,0,0,0,0|2,0,1]=4 22 B13R2.1613 c1cc2cccnc2c(c1)C=O L19642 [1,0,0,0,0,0|2,0,1]=4 23 B13R2.1613 c1cc2cnccc2c(c1)C=O L19636 [1,0,0,0,0,0|2,0,1]=4 24 B13R2.1613 c1ccc2c(c1)c(ccn2)C=O L20203 [1,0,0,0,0,0|2,0,1]=4 25 B13R2.1613 c1ccc2c(c1)cccc2C#N L14498 [1,0,0,0,0,0|0,0,2]=3 26 B13R2.1613 c1ccc2c(c1)cccc2C=O A15610 [1,0,0,0,0,0|1,0,1]=3 27 B13R2.1613 c1ccc2c(c1)cccc2CBr H64116 [1,0,0,0,0,0|1,0,0]=2 28 B13R2.1613 c1ccc2c(c1)cccc2CCl B24385 [1,0,0,0,0,0|1,0,0]=2 29 B13R2.1613 c1ccc2c(c1)cccc2CN L03541 [1,0,0,0,0,0|0,0,0]=1 30 B13R2.1613 c1ccc2c(c1)cccc2CO L01347 [1,0,0,0,0,0|1,0,0]=2 31 B13R2.1613 c1ccc2c(c1)ccnc2C#N L19425 [1,0,0,0,0,0|1,0,2]=4 32 B13R2.1613 c1ccc2c(c1)cncc2C=O H61788 [1,0,0,0,0,0|2,0,1]=4 33 B13R2.1613 c1ccc2c(c1)cnnc2NN B22995 [1,0,0,0,0,0|3,0,0]=4 34 B15R2.1162 CC(=O)c1c2ccccc2ccc1O A18537 [0,1,0,0,0,0|1,0,1]=3 35 B15R2.1162 c1ccc2c(c1)ccc(c2C(=O)O)O L13426 [0,1,0,0,0,0|1,0,1]=3 36 B15R2.2115 COc1ccc2ccccc2c1C=O B20483 [0,1,0,0,0,0|1,0,1]=3 37 B13R1.42 CCOC(=O)\C=C\c1ccccc1 A12906 [0,0,1,0,0,0|2,0,1]=4 38 B12R1.27 COC(=O)\C=C\c1ccccc1 A15975 [1,0,1,0,0,0|1,0,1]=4 39 B12R2.24 Cc1cc2ccccc2nc1 A13109 [2,0,0,0,0,0|2,0,0]=4 40 B12R2.24 Cc1ccc2c(c1)cccn2 B21892 [2,0,0,0,0,0|2,0,0]=4 41 B12R2.24 Cc1ccc2ccccc2c1 L02459 [2,0,0,0,0,0|1,0,0]=3 42 B12R2.24 Cc1ccc2ccccc2n1 A13412 [2,0,0,0,0,0|2,0,0]=4 43 B12R2.24 Cc1ccc2cccnc2c1 42475 [2,0,0,0,0,0|2,0,0]=4 44 B12R2.24 c1cc(cc2c1ccnc2)O L17067 [2,0,0,0,0,0|1,0,0]=3 45 B12R2.24 c1cc2cc(ccc2nc1)Br H55111 [2,0,0,0,0,0|2,0,0]=4 46 B12R2.24 c1cc2cc(ccc2nc1)Cl L20164 [2,0,0,0,0,0|2,0,0]=4 47 B12R2.24 c1cc2cc(ccc2nc1)F H35900 [2,0,0,0,0,0|2,0,0]=4 48 B12R2.24 c1cc2cc(ccc2nc1)N L13819 [2,0,0,0,0,0|2,0,0]=4 49 B12R2.24 c1cc2ccc(cc2nc1)Br H63987 [2,0,0,0,0,0|2,0,0]=4 50 B12R2.24 c1ccc2c(c1)cc(cn2)Br A14573 [2,0,0,0,0,0|2,0,0]=4 51 B12R2.24 c1ccc2c(c1)cc(cn2)N A16592 [2,0,0,0,0,0|2,0,0]=4 52 B12R2.24 c1ccc2c(c1)cc(cn2)[Zn+] H58426 [2,0,0,0,0,0|2,0,0]=4 53 B12R2.24 c1ccc2c(c1)ccc(=O)o2 A15336 [2,0,0,0,0,0|1,0,1]=4 54 B12R2.24 c1ccc2c(c1)ccc(n2)Br H27302 [2,0,0,0,0,0|2,0,0]=4 55 B12R2.24 c1ccc2c(c1)ccc(n2)Cl B23443 [2,0,0,0,0,0|2,0,0]=4 56 B12R2.24 c1ccc2c(c1)ccc(n2)O B23064 [2,0,0,0,0,0|1,0,0]=3 57 B12R2.24 c1ccc2c(c1)ccc(n2)S H55749 [2,0,0,0,0,0|1,1,0]=4 58 B12R2.24 c1ccc2c[n+](ccc2c1)[O-] A19738 [2,0,0,0,0,0|1,0,1]=4 59 B12R2.24 c1ccc2c[n+](ccc2c1)[O-] L14794 [2,0,0,0,0,0|1,0,1]=4 60 B12R2.24 c1ccc2cc(ccc2c1)Br A15300 [2,0,0,0,0,0|1,0,0]=3 61 B12R2.24 c1ccc2cc(ccc2c1)O A14564 [2,0,0,0,0,0|0,0,0]=2 62 B12R2.24 c1ccc2cc(ccc2c1)[Mg+] H51160 [2,0,0,0,0,0|1,0,0]=3 63 B12R2.24 c1ccc2cnc(cc2c1)O L19428 [2,0,0,0,0,0|1,0,0]=3 64 B12R2.1081 Cc1c2ccccc2ccn1 H27029 [2,0,0,0,0,0|1,0,0]=3 65 B12R2.1081 Cc1cccc2c1cccc2 A15327 [2,0,0,0,0,0|0,0,0]=2 66 B12R2.1081 Cc1cccc2c1nccc2 L03288 [2,0,0,0,0,0|1,0,0]=3 67 B12R2.1081 Cc1cccc2c1nccn2 A19300 [2,0,0,0,0,0|2,0,0]=4 68 B12R2.1081 Cc1ccnc2c1cccc2 A14040 [2,0,0,0,0,0|1,0,0]=3 69 B12R2.1081 c1cc(c2cccnc2c1)N L19628 [2,0,0,0,0,0|1,0,0]=3 70 B12R2.1081 c1cc2c(cccn2)c(c1)Br L19634 [2,0,0,0,0,0|2,0,0]=4 71 B12R2.1081 c1cc2c(cccn2)c(c1)O H51096 [2,0,0,0,0,0|2,0,0]=4 72 B12R2.1081 c1cc2cccnc2c(c1)Br H25961 [2,0,0,0,0,0|2,0,0]=4 73 B12R2.1081 c1cc2cccnc2c(c1)N A16752 [2,0,0,0,0,0|1,0,0]=3 74 B12R2.1081 c1cc2cccnc2c(c1)O 41272 [2,0,0,0,0,0|2,0,0]=4 75 B12R2.1081 c1cc2cccnc2c(c1)O A14720 [2,0,0,0,0,0|2,0,0]=4 76 B12R2.1081 c1cc2cccnc2c(c1)O L02743 [2,0,0,0,0,0|2,0,0]=4 77 B12R2.1081 c1cc2cccnc2c(c1)[O-] 43850 [2,0,0,0,0,0|2,0,0]=4 78 B12R2.1081 c1cc2cccnc2c(c1)[O-] H55656 [2,0,0,0,0,0|2,0,0]=4 79 B12R2.1081 c1cc2cnccc2c(c1)Br L19632 [2,0,0,0,0,0|2,0,0]=4 80 B12R2.1081 c1cc2cnccc2c(c1)N L01223 [2,0,0,0,0,0|1,0,0]=3 81 B12R2.1081 c1cc2cnccc2c(c1)O B25052 [2,0,0,0,0,0|2,0,0]=4 82 B12R2.1081 c1ccc2c(c1)c(ccn2)Cl H56721 [2,0,0,0,0,0|2,0,0]=4 83 B12R2.1081 c1ccc2c(c1)c(ccn2)O A15859 [2,0,0,0,0,0|2,0,0]=4 84 B12R2.1081 c1ccc2c(c1)c(ncn2)N H66948 [2,0,0,0,0,0|2,0,0]=4 85 B12R2.1081 c1ccc2c(c1)ccc[n+]2[O-] B25209 [2,0,0,0,0,0|2,0,0]=4 86 B12R2.1081 c1ccc2c(c1)cccc2Br A14122 [2,0,0,0,0,0|1,0,0]=3 87 B12R2.1081 c1ccc2c(c1)cccc2Cl A15029 [2,0,0,0,0,0|1,0,0]=3 88 B12R2.1081 c1ccc2c(c1)cccc2F A18378 [2,0,0,0,0,0|1,0,0]=3 89 B12R2.1081 c1ccc2c(c1)cccc2I B22644 [2,0,0,0,0,0|1,0,0]=3 90 B12R2.1081 c1ccc2c(c1)cccc2N 44088 [2,0,0,0,0,0|0,0,0]=2 91 B12R2.1081 c1ccc2c(c1)cccc2N H60409 [2,0,0,0,0,0|0,0,0]=2 92 B12R2.1081 c1ccc2c(c1)cccc2O A11862 [2,0,0,0,0,0|1,0,0]=3 93 B12R2.1081 c1ccc2c(c1)cccc2S B24876 [2,0,0,0,0,0|1,0,0]=3 94 B12R2.1081 c1ccc2c(c1)cccc2[Mg+] H51159 [2,0,0,0,0,0|1,0,0]=3 95 B12R2.1081 c1ccc2c(c1)ccnc2Cl L17831 [2,0,0,0,0,0|2,0,0]=4 96 B12R2.1081 c1ccc2c(c1)ccnc2O H29124 [2,0,0,0,0,0|2,0,0]=4 97 B12R2.1081 c1ccc2c(c1)cncc2Br A15951 [2,0,0,0,0,0|2,0,0]=4 98 B14R1.482 CCOc1ccccc1\C=C\C(=O)O L06650 [0,1,1,0,0,0|2,0,0]=4 99 B14R2.92 COc1ccc2ccccc2c1Br A18926 [1,1,0,0,0,0|1,0,0]=3 100 B14R2.92 c1ccc2c(c1)ccc(c2Br)CBr H50240 [1,1,0,0,0,0|2,0,0]=4 101 B14R2.92 c1ccc2c(c1)ccc(c2O)N=O A11980 [1,1,0,0,0,0|1,0,1]=4 102 B14R2.7724 CC1=CC(=O)c2ccccc2C1=O A13593 [1,1,0,0,0,0|2,0,0]=4 103 B14R2.7724 c1ccc2c(c1)C(=O)C=C(C2=O)O A11880 [1,1,0,0,0,0|1,0,0]=3 104 B14R2.1131 COc1ccc(c2c1cccc2)O B20701 [1,1,0,0,0,0|2,0,0]=4 105 B14R2.1131 c1ccc2c(c1)c(ccc2F)C#N B25335 [1,1,0,0,0,0|0,0,2]=4 106 B14R2.1146 c1ccc2c(c1)c(cc(=O)[nH]2)CBr B25305 [1,1,0,0,0,0|2,0,0]=4 107 B14R2.7150 CCNc1cccc2c1cccc2 A19502 [1,1,0,0,0,0|1,0,0]=3 108 B14R2.7150 CCOc1cccc2c1nccc2 A16997 [1,1,0,0,0,0|2,0,0]=4 109 B14R2.7150 CNCc1cccc2c1cccc2 H28719 [1,1,0,0,0,0|0,0,0]=2 110 B14R2.7150 c1ccc2c(c1)cccc2CC#N L06696 [1,1,0,0,0,0|0,0,1]=3 111 B14R2.7150 c1ccc2c(c1)cccc2CCBr 43491 [1,1,0,0,0,0|1,0,0]=3 112 B14R2.7150 c1ccc2c(c1)cccc2CCO H27218 [1,1,0,0,0,0|1,0,0]=3 113 B14R2.7150 c1ccc2c(c1)cccc2N=C=O A17200 [1,1,0,0,0,0|1,0,1]=4 114 B14R2.7150 c1ccc2c(c1)cccc2N=C=S L12418 [1,1,0,0,0,0|1,0,1]=4 115 B14R2.31359 B(c1cccc2c1cccc2)(O)O B21219 [1,1,0,0,0,0|2,0,0]=4 116 B14R2.31359 CC(=O)c1cccc2c1cccc2 A12918 [1,1,0,0,0,0|1,0,1]=4 117 B14R2.31359 CC(c1cccc2c1cccc2)N L09342 [1,1,0,0,0,0|0,0,0]=2 118 B14R2.31359 CN(C)c1cccc2c1cccc2 36438 [1,1,0,0,0,0|2,0,0]=4 119 B14R2.31359 C[C@@H](c1cccc2c1cccc2)N A17176 [1,1,0,0,0,0|0,0,0]=2 120 B14R2.31359 C[C@@H](c1cccc2c1cccc2)N L19301 [1,1,0,0,0,0|0,0,0]=2 121 B14R2.31359 C[C@@H](c1cccc2c1cccc2)O H60100 [1,1,0,0,0,0|1,0,0]=3 122 B14R2.31359 C[C@H](c1cccc2c1cccc2)N A16918 [1,1,0,0,0,0|0,0,0]=2 123 B14R2.31359 C[C@H](c1cccc2c1cccc2)N H66696 [1,1,0,0,0,0|0,0,0]=2 124 B14R2.31359 C[C@H](c1cccc2c1cccc2)N L19300 [1,1,0,0,0,0|0,0,0]=2 125 B14R2.31359 c1ccc2c(c1)cccc2C(=O)Cl A14460 [1,1,0,0,0,0|1,0,1]=4 126 B14R2.31359 c1ccc2c(c1)cccc2C(=O)N L08364 [1,1,0,0,0,0|0,0,1]=3 127 B14R2.31359 c1ccc2c(c1)cccc2C(=O)O A10273 [1,1,0,0,0,0|1,0,1]=4 128 B14R2.31359 c1ccc2c(c1)cccc2C(=S)N H52204 [1,1,0,0,0,0|0,0,1]=3 129 B16R2.2073 COc1ccc2ccccc2c1C(=O)O H60434 [0,2,0,0,0,0|1,0,1]=4 130 B16R2.34040 COC(=O)c1c2ccccc2ccc1O B22278 [0,2,0,0,0,0|1,0,1]=4 131 B16R2.28256 CCOc1ccc2ccccc2c1C=O B25306 [0,2,0,0,0,0|1,0,1]=4 132 B16R2.333 CN(C)Cc1c2ccccc2ccc1O H50430 [0,2,0,0,0,0|0,0,0]=2 133 B14R2.24 c1ccc(cc1)c2ccccc2O A10592 [0,0,1,1,0,0|1,0,1]=4 134 B14R3.164 c1cc2cccc3c2c(c1)CC3 A14922 [1,0,0,1,0,0|1,0,0]=3 135 B12R2.18 Cc1c([nH]c2c1cccc2)C A18504 [1,0,0,0,1,0|2,0,0]=4 136 B12R2.1 c1ccc2c(c1)c(c[nH]2)CO L15762 [1,0,0,0,1,0|2,0,0]=4 137 B12R2.315 CCc1cccc2c1[nH]cc2 L14875 [1,0,0,0,1,0|2,0,0]=4 138 B12R2.315 c1cc(c2cc[nH]c2c1)CN H54963 [1,0,0,0,1,0|1,0,0]=3