0 B14R2.781 BrC(Br)c1ccc2ccccc2n1 Amb2609692 [0,0,0,0,0,0|3,0,1]=4 1 B14R2.781 C=C(C)c1cc2ccccc2cn1 Amb28193339 [0,0,0,0,0,0|2,0,0]=2 2 B14R2.781 C=C(C)c1ccc2ccccc2c1 Amb6360067 [0,0,0,0,0,0|1,0,0]=1 3 B14R2.781 C=C(C)c1ccc2ccccc2n1 Amb26451445 [0,0,0,0,0,0|2,0,0]=2 4 B14R2.781 C=C(C)c1ccc2ncccc2c1 Amb27462453 [0,0,0,0,0,0|2,0,0]=2 5 B14R2.781 C=C(C)c1cnc2ccccc2c1 Amb27642702 [0,0,0,0,0,0|2,0,0]=2 6 B14R2.781 CC(=O)C1=Cc2ccccc2CC1 Amb27587327 [0,0,0,0,0,0|0,0,2]=2 7 B14R2.781 CC(=O)C1=Cc2ccccc2OC1 Amb7094361 [0,0,0,0,0,0|1,0,1]=2 8 B14R2.781 CC(=O)C1COc2ccccc2C1 Amb24670907 [0,0,0,0,0,0|1,0,3]=4 9 B14R2.781 CC(=O)C1COc2ccccc2O1 Amb9752738 [0,0,0,0,0,0|2,0,2]=4 10 B14R2.781 CC(=O)C1COc2ccccc2S1 Amb17570722 [0,0,0,0,0,0|2,0,2]=4 11 B14R2.781 CC(=O)C1CSc2ccccc2O1 Amb27662768 [0,0,0,0,0,0|2,0,2]=4 12 B14R2.781 CC(=O)N1CCc2ccccc2C1 Amb6347929 [0,0,0,0,0,0|1,0,3]=4 13 B14R2.781 CC(=O)[C@H]1COc2ccccc2O1 Amb27621290 [0,0,0,0,0,0|2,0,2]=4 14 B14R2.781 CC(=O)c1cc2ccccc2cn1 Amb21858387 [0,0,0,0,0,0|1,0,0]=1 15 B14R2.781 CC(=O)c1cc2ccccc2nn1 Amb27486145 [0,0,0,0,0,0|2,0,0]=2 16 B14R2.781 CC(=O)c1ccc2c(c1)CCCC2 Amb1651449 [0,0,0,0,0,0|0,0,4]=4 17 B14R2.781 CC(=O)c1ccc2c(c1)CCCN2 Amb9134084 [0,0,0,0,0,0|1,0,3]=4 18 B14R2.781 CC(=O)c1ccc2c(c1)CCCO2 Amb18196804 [0,0,0,0,0,0|1,0,3]=4 19 B14R2.781 CC(=O)c1ccc2c(c1)CCNC2 Amb18112911 [0,0,0,0,0,0|1,0,3]=4 20 B14R2.781 CC(=O)c1ccc2c(c1)CCNC2 Amb21857541 [0,0,0,0,0,0|1,0,3]=4 21 B14R2.781 CC(=O)c1ccc2c(c1)CCOC2 Amb27776573 [0,0,0,0,0,0|1,0,3]=4 22 B14R2.781 CC(=O)c1ccc2c(c1)CNCC2 Amb9134082 [0,0,0,0,0,0|1,0,3]=4 23 B14R2.781 CC(=O)c1ccc2c(c1)COCO2 Amb18195573 [0,0,0,0,0,0|2,0,2]=4 24 B14R2.781 CC(=O)c1ccc2c(c1)NCCC2 Amb17592997 [0,0,0,0,0,0|1,0,3]=4 25 B14R2.781 CC(=O)c1ccc2c(c1)NCCO2 Amb17094120 [0,0,0,0,0,0|2,0,2]=4 26 B14R2.781 CC(=O)c1ccc2c(c1)OCCC2 Amb27948661 [0,0,0,0,0,0|1,0,3]=4 27 B14R2.781 CC(=O)c1ccc2c(c1)OCCO2 Amb1039808 [0,0,0,0,0,0|2,0,2]=4 28 B14R2.781 CC(=O)c1ccc2ccccc2c1 Amb752737 [0,0,0,0,0,0|0,0,0]=0 29 B14R2.781 CC(=O)c1ccc2ccccc2n1 Amb5494070 [0,0,0,0,0,0|1,0,0]=1 30 B14R2.781 CC(=O)c1ccc2cccnc2c1 Amb18352594 [0,0,0,0,0,0|1,0,0]=1 31 B14R2.781 CC(=O)c1ccc2cccnc2n1 Amb24378538 [0,0,0,0,0,0|2,0,0]=2 32 B14R2.781 CC(=O)c1ccc2ccncc2c1 Amb18353408 [0,0,0,0,0,0|1,0,0]=1 33 B14R2.781 CC(=O)c1ccc2cnccc2c1 Amb19103647 [0,0,0,0,0,0|1,0,0]=1 34 B14R2.781 CC(=O)c1ccc2ncccc2c1 Amb18353467 [0,0,0,0,0,0|1,0,0]=1 35 B14R2.781 CC(=O)c1ccc2ncccc2n1 Amb27645980 [0,0,0,0,0,0|2,0,0]=2 36 B14R2.781 CC(=O)c1ccc2nccnc2c1 Amb18198344 [0,0,0,0,0,0|2,0,0]=2 37 B14R2.781 CC(=O)c1ccc2ncncc2c1 Amb26644475 [0,0,0,0,0,0|2,0,0]=2 38 B14R2.781 CC(=O)c1cnc2ccccc2c1 Amb18793962 [0,0,0,0,0,0|1,0,0]=1 39 B14R2.781 CC(=O)c1cnc2ccccc2n1 Amb9822157 [0,0,0,0,0,0|2,0,0]=2 40 B14R2.781 CC(=O)c1cnc2cccnc2c1 Amb13890073 [0,0,0,0,0,0|2,0,0]=2 41 B14R2.781 CC(Br)c1ccc2ccccc2c1 Amb8835394 [0,0,0,0,0,0|1,0,1]=2 42 B14R2.781 CC(Br)c1ccc2nccnc2c1 Amb27812141 [0,0,0,0,0,0|3,0,1]=4 43 B14R2.781 CC(C)C1=Cc2ccccc2CC1 Amb27441309 [0,0,0,0,0,0|1,0,3]=4 44 B14R2.781 CC(C)c1ccc2c(c1)C=CCN2 Amb18062205 [0,0,0,0,0,0|2,0,2]=4 45 B14R2.781 CC(C)c1ccc2c(c1)C=CCO2 Amb27267043 [0,0,0,0,0,0|2,0,2]=4 46 B14R2.781 CC(C)c1ccc2ccccc2c1 Amb2720809 [0,0,0,0,0,0|1,0,1]=2 47 B14R2.781 CC(C)c1ccc2ccccc2n1 Amb24715817 [0,0,0,0,0,0|2,0,1]=3 48 B14R2.781 CC(C)c1ccc2ccncc2c1 Amb19100676 [0,0,0,0,0,0|2,0,1]=3 49 B14R2.781 CC(C)c1ccc2cnccc2c1 Amb24091749 [0,0,0,0,0,0|2,0,1]=3 50 B14R2.781 CC(C)c1ccc2ncccc2c1 Amb6893055 [0,0,0,0,0,0|2,0,1]=3 51 B14R2.781 CC(C)c1cnc2ccccc2c1 Amb17334869 [0,0,0,0,0,0|2,0,1]=3 52 B14R2.781 CC(Cl)c1cc2ccccc2cn1 Amb27858110 [0,0,0,0,0,0|2,0,1]=3 53 B14R2.781 CC(N)c1ccc2ccccc2c1 Amb1211899 [0,0,0,0,0,0|1,0,1]=2 54 B14R2.781 CC(N)c1ccc2ccccc2c1 Amb6239355 [0,0,0,0,0,0|1,0,1]=2 55 B14R2.781 CC(N)c1ccc2ccccc2n1 Amb24548779 [0,0,0,0,0,0|2,0,1]=3 56 B14R2.781 CC(N)c1ccc2cccnc2c1 Amb18352716 [0,0,0,0,0,0|2,0,1]=3 57 B14R2.781 CC(N)c1ccc2cnccc2c1 Amb18352433 [0,0,0,0,0,0|2,0,1]=3 58 B14R2.781 CC(N)c1ccc2cnccc2n1 Amb27597044 [0,0,0,0,0,0|3,0,1]=4 59 B14R2.781 CC(N)c1ccc2ncccc2c1 Amb19104603 [0,0,0,0,0,0|2,0,1]=3 60 B14R2.781 CC(N)c1ccc2ncccc2n1 Amb27863677 [0,0,0,0,0,0|3,0,1]=4 61 B14R2.781 CC(N)c1ccc2nccnc2c1 Amb13890526 [0,0,0,0,0,0|3,0,1]=4 62 B14R2.781 CC(N)c1cnc2ccccc2c1 Amb18944280 [0,0,0,0,0,0|2,0,1]=3 63 B14R2.781 CC(N)c1cnc2ccccc2n1 Amb27227842 [0,0,0,0,0,0|3,0,1]=4 64 B14R2.781 CC(O)C1=COc2ccccc2O1 Amb27661173 [0,0,0,0,0,0|2,0,2]=4 65 B14R2.781 CC(O)C1=Cc2ccccc2CC1 Amb28321250 [0,0,0,0,0,0|0,0,4]=4 66 B14R2.781 CC(O)C1=Cc2ccccc2OC1 Amb27242657 [0,0,0,0,0,0|1,0,3]=4 67 B14R2.781 CC(O)c1ccc2ccccc2c1 Amb9748274 [0,0,0,0,0,0|0,0,2]=2 68 B14R2.781 CC(O)c1ccc2ccccc2n1 Amb25215245 [0,0,0,0,0,0|1,0,2]=3 69 B14R2.781 CC(O)c1ccc2cccnc2n1 Amb35647264 [0,0,0,0,0,0|2,0,2]=4 70 B14R2.781 CC(O)c1ccc2ccncc2c1 Amb18352498 [0,0,0,0,0,0|1,0,2]=3 71 B14R2.781 CC(O)c1ccc2cnccc2c1 Amb19104578 [0,0,0,0,0,0|1,0,2]=3 72 B14R2.781 CC(O)c1ccc2ncccc2c1 Amb17622029 [0,0,0,0,0,0|1,0,2]=3 73 B14R2.781 CC(O)c1cnc2ccccc2c1 Amb33535848 [0,0,0,0,0,0|1,0,2]=3 74 B14R2.781 CC(S)c1ccc2ccccc2c1 Amb7784705 [0,0,0,0,0,0|0,1,1]=2 75 B14R2.781 CN(C)c1ccc2ccccc2c1 Amb22228802 [0,0,0,0,0,0|2,0,0]=2 76 B14R2.781 CN(C)c1ccc2ccccc2n1 Amb4010061 [0,0,0,0,0,0|3,0,0]=3 77 B14R2.781 CN(C)c1ccc2ccncc2c1 Amb19100677 [0,0,0,0,0,0|3,0,0]=3 78 B14R2.781 CN(C)c1ccc2cnccc2c1 Amb19109237 [0,0,0,0,0,0|3,0,0]=3 79 B14R2.781 CN(C)c1ccc2ncccc2c1 Amb534256 [0,0,0,0,0,0|3,0,0]=3 80 B14R2.781 CN(C)c1ccc2ncccc2c1 Amb612958 [0,0,0,0,0,0|3,0,0]=3 81 B14R2.781 CN(C)c1cnc2ccccc2c1 Amb18269699 [0,0,0,0,0,0|3,0,0]=3 82 B14R2.781 CN(C)c1cnc2ccccc2n1 Amb2609368 [0,0,0,0,0,0|4,0,0]=4 83 B14R2.781 CN(N)c1cnc2ccccc2n1 Amb2725768 [0,0,0,0,0,0|4,0,0]=4 84 B14R2.781 CS(=O)C1=NCc2ccccc2N1 Amb27624966 [0,0,0,0,0,0|3,0,1]=4 85 B14R2.781 CS(=O)c1ccc2ccccc2c1 Amb10553605 [0,0,0,0,0,0|1,0,0]=1 86 B14R2.781 C[C@@H](Cl)c1ccc2ccccc2c1 Amb27858415 [0,0,0,0,0,0|1,0,1]=2 87 B14R2.781 C[C@@H](N)c1ccc2ccccc2c1 Amb13951472 [0,0,0,0,0,0|1,0,1]=2 88 B14R2.781 C[C@@H](N)c1ccc2ccccc2c1 Amb3941411 [0,0,0,0,0,0|1,0,1]=2 89 B14R2.781 C[C@@H](N)c1ccc2ccccc2n1 Amb27187332 [0,0,0,0,0,0|2,0,1]=3 90 B14R2.781 C[C@@H](N)c1ccc2cccnc2c1 Amb25117082 [0,0,0,0,0,0|2,0,1]=3 91 B14R2.781 C[C@@H](N)c1ccc2cccnc2n1 Amb27249481 [0,0,0,0,0,0|3,0,1]=4 92 B14R2.781 C[C@@H](N)c1ccc2ccncc2c1 Amb27225875 [0,0,0,0,0,0|2,0,1]=3 93 B14R2.781 C[C@@H](N)c1ccc2cnccc2c1 Amb25669386 [0,0,0,0,0,0|2,0,1]=3 94 B14R2.781 C[C@@H](N)c1ccc2ncccc2c1 Amb25743624 [0,0,0,0,0,0|2,0,1]=3 95 B14R2.781 C[C@@H](N)c1ccc2nccnc2c1 Amb27799567 [0,0,0,0,0,0|3,0,1]=4 96 B14R2.781 C[C@@H](N)c1cnc2ccccc2c1 Amb25250663 [0,0,0,0,0,0|2,0,1]=3 97 B14R2.781 C[C@@H](N)c1cnc2ccccc2n1 Amb33377794 [0,0,0,0,0,0|3,0,1]=4 98 B14R2.781 C[C@@H](O)C1=Cc2ccccc2CC1 Amb28079043 [0,0,0,0,0,0|0,0,4]=4 99 B14R2.781 C[C@@H](O)c1ccc2ccccc2c1 Amb10844722 [0,0,0,0,0,0|0,0,2]=2 100 B14R2.781 C[C@@H](O)c1ccc2ccccc2n1 Amb25839820 [0,0,0,0,0,0|1,0,2]=3 101 B14R2.781 C[C@@H](O)c1ccc2cccnc2c1 Amb32879517 [0,0,0,0,0,0|1,0,2]=3 102 B14R2.781 C[C@@H](O)c1ccc2ncccc2c1 Amb26865756 [0,0,0,0,0,0|1,0,2]=3 103 B14R2.781 C[C@@H](O)c1ccc2nccnc2c1 Amb28322824 [0,0,0,0,0,0|2,0,2]=4 104 B14R2.781 C[C@@H](O)c1cnc2ccccc2c1 Amb25872625 [0,0,0,0,0,0|1,0,2]=3 105 B14R2.781 C[C@@H](O)c1cnc2ccccc2n1 Amb33378852 [0,0,0,0,0,0|2,0,2]=4 106 B14R2.781 C[C@H](N)c1cc2ccccc2cn1 Amb24058224 [0,0,0,0,0,0|2,0,1]=3 107 B14R2.781 C[C@H](N)c1ccc2ccccc2c1 Amb2611666 [0,0,0,0,0,0|1,0,1]=2 108 B14R2.781 C[C@H](N)c1ccc2ccccc2n1 Amb24711720 [0,0,0,0,0,0|2,0,1]=3 109 B14R2.781 C[C@H](N)c1ccc2cccnc2c1 Amb25948512 [0,0,0,0,0,0|2,0,1]=3 110 B14R2.781 C[C@H](N)c1ccc2cnccc2c1 Amb24058131 [0,0,0,0,0,0|2,0,1]=3 111 B14R2.781 C[C@H](N)c1ccc2ncccc2c1 Amb27947620 [0,0,0,0,0,0|2,0,1]=3 112 B14R2.781 C[C@H](N)c1cnc2ccccc2c1 Amb25791638 [0,0,0,0,0,0|2,0,1]=3 113 B14R2.781 C[C@H](N)c1cnc2ccccc2n1 Amb33377793 [0,0,0,0,0,0|3,0,1]=4 114 B14R2.781 C[C@H](O)C1=Cc2ccccc2CC1 Amb27763822 [0,0,0,0,0,0|0,0,4]=4 115 B14R2.781 C[C@H](O)c1cc2ccccc2cn1 Amb27411298 [0,0,0,0,0,0|1,0,2]=3 116 B14R2.781 C[C@H](O)c1ccc2ccccc2c1 Amb4605849 [0,0,0,0,0,0|0,0,2]=2 117 B14R2.781 C[C@H](O)c1ccc2ccccc2n1 Amb26943845 [0,0,0,0,0,0|1,0,2]=3 118 B14R2.781 C[C@H](O)c1ccc2cccnc2c1 Amb32879621 [0,0,0,0,0,0|1,0,2]=3 119 B14R2.781 C[C@H](O)c1ccc2ncccc2c1 Amb25348503 [0,0,0,0,0,0|1,0,2]=3 120 B14R2.781 C[C@H](O)c1ccc2nccnc2c1 Amb28243575 [0,0,0,0,0,0|2,0,2]=4 121 B14R2.781 C[C@H](O)c1cnc2ccccc2c1 Amb25872666 [0,0,0,0,0,0|1,0,2]=3 122 B14R2.781 C[C@H](O)c1cnc2ccccc2n1 Amb33358202 [0,0,0,0,0,0|2,0,2]=4 123 B14R2.781 FC(F)c1ccc2ccccc2c1 Amb20669942 [0,0,0,0,0,0|2,0,1]=3 124 B14R2.781 FC(F)c1ccc2ccccc2n1 Amb20669752 [0,0,0,0,0,0|3,0,1]=4 125 B14R2.781 FC(F)c1ccc2cccnc2c1 Amb26543059 [0,0,0,0,0,0|3,0,1]=4 126 B14R2.781 FC(F)c1ccc2ccncc2c1 Amb20621048 [0,0,0,0,0,0|3,0,1]=4 127 B14R2.781 FC(F)c1ccc2ncccc2c1 Amb27445957 [0,0,0,0,0,0|3,0,1]=4 128 B14R2.781 FC(F)c1cnc2ccccc2c1 Amb20669753 [0,0,0,0,0,0|3,0,1]=4 129 B14R2.781 N=C(N)C1=Cc2ccccc2OC1 Amb22370889 [0,0,0,0,0,0|3,0,1]=4 130 B14R2.781 N=C(N)c1cc2ccccc2cn1 Amb22277016 [0,0,0,0,0,0|3,0,0]=3 131 B14R2.781 N=C(N)c1cc2ccccc2cn1 Amb2696272 [0,0,0,0,0,0|3,0,0]=3 132 B14R2.781 N=C(N)c1cc2ccccc2cn1 Amb8630178 [0,0,0,0,0,0|3,0,0]=3 133 B14R2.781 N=C(N)c1ccc2ccccc2c1 Amb33528675 [0,0,0,0,0,0|2,0,0]=2 134 B14R2.781 N=C(N)c1ccc2ccccc2c1 Amb8630189 [0,0,0,0,0,0|2,0,0]=2 135 B14R2.781 N=C(N)c1ccc2ccccc2n1 Amb17579234 [0,0,0,0,0,0|3,0,0]=3 136 B14R2.781 N=C(N)c1ccc2ccccc2n1 Amb2696393 [0,0,0,0,0,0|3,0,0]=3 137 B14R2.781 N=C(N)c1ccc2cccnc2c1 Amb19103097 [0,0,0,0,0,0|3,0,0]=3 138 B14R2.781 N=C(N)c1ccc2cccnc2n1 Amb22277042 [0,0,0,0,0,0|4,0,0]=4 139 B14R2.781 N=C(N)c1ccc2cccnc2n1 Amb28250175 [0,0,0,0,0,0|4,0,0]=4 140 B14R2.781 N=C(N)c1ccc2ccncc2c1 Amb18350470 [0,0,0,0,0,0|3,0,0]=3 141 B14R2.781 N=C(N)c1ccc2cnccc2c1 Amb18351403 [0,0,0,0,0,0|3,0,0]=3 142 B14R2.781 N=C(N)c1ccc2cnccc2n1 Amb22277043 [0,0,0,0,0,0|4,0,0]=4 143 B14R2.781 N=C(N)c1ccc2cnccc2n1 Amb26021713 [0,0,0,0,0,0|4,0,0]=4 144 B14R2.781 N=C(N)c1ccc2ncccc2c1 Amb19103139 [0,0,0,0,0,0|3,0,0]=3 145 B14R2.781 N=C(N)c1ccc2ncccc2n1 Amb22277046 [0,0,0,0,0,0|4,0,0]=4 146 B14R2.781 N=C(N)c1ccc2ncccc2n1 Amb26495063 [0,0,0,0,0,0|4,0,0]=4 147 B14R2.781 N=C(N)c1cnc2ccccc2c1 Amb2696396 [0,0,0,0,0,0|3,0,0]=3 148 B14R2.781 N=C(N)c1cnc2ccccc2c1 Amb8630201 [0,0,0,0,0,0|3,0,0]=3 149 B14R2.781 N=C(N)c1cnc2ccccc2n1 Amb24061358 [0,0,0,0,0,0|4,0,0]=4 150 B14R2.781 NC(=O)C1=CCc2ccccc2C1 Amb27180284 [0,0,0,0,0,0|1,0,2]=3 151 B14R2.781 NC(=O)C1=CCc2ccccc2O1 Amb27618226 [0,0,0,0,0,0|2,0,1]=3 152 B14R2.781 NC(=O)C1=CNc2ccccc2C1 Amb27748674 [0,0,0,0,0,0|2,0,1]=3 153 B14R2.781 NC(=O)C1=Cc2ccccc2OC1 Amb8340835 [0,0,0,0,0,0|2,0,1]=3 154 B14R2.781 NC(=O)C1=Nc2ccccc2CS1 Amb27862450 [0,0,0,0,0,0|3,0,1]=4 155 B14R2.781 NC(=O)C1C=Cc2ccccc2C1 Amb27590334 [0,0,0,0,0,0|1,0,2]=3 156 B14R2.781 NC(=O)c1cc2ccccc2cn1 Amb22498017 [0,0,0,0,0,0|2,0,0]=2 157 B14R2.781 NC(=O)c1cc2ccncc2cn1 Amb27608576 [0,0,0,0,0,0|3,0,0]=3 158 B14R2.781 NC(=O)c1ccc2ccccc2c1 Amb2701601 [0,0,0,0,0,0|1,0,0]=1 159 B14R2.781 NC(=O)c1ccc2ccccc2n1 Amb8997730 [0,0,0,0,0,0|2,0,0]=2 160 B14R2.781 NC(=O)c1ccc2cccnc2c1 Amb18352381 [0,0,0,0,0,0|2,0,0]=2 161 B14R2.781 NC(=O)c1ccc2cnccc2c1 Amb19103361 [0,0,0,0,0,0|2,0,0]=2 162 B14R2.781 NC(=O)c1ccc2ncccc2c1 Amb18789669 [0,0,0,0,0,0|2,0,0]=2 163 B14R2.781 NC(=O)c1ccc2nccnc2c1 Amb16192028 [0,0,0,0,0,0|3,0,0]=3 164 B14R2.781 NC(=O)c1ccc2ncncc2c1 Amb24730735 [0,0,0,0,0,0|3,0,0]=3 165 B14R2.781 NC(=O)c1cnc2ccccc2n1 Amb1086720 [0,0,0,0,0,0|3,0,0]=3 166 B14R2.781 NC(=O)c1cnc2ccncc2c1 Amb25974930 [0,0,0,0,0,0|3,0,0]=3 167 B14R2.781 NC(=O)c1nnc2ccccc2n1 Amb28293609 [0,0,0,0,0,0|4,0,0]=4 168 B14R2.781 NC(=S)C1=Cc2ccccc2OC1 Amb2723366 [0,0,0,0,0,0|2,1,1]=4 169 B14R2.781 NC(=S)c1cc2ccccc2cn1 Amb28243596 [0,0,0,0,0,0|2,1,0]=3 170 B14R2.781 NC(=S)c1ccc2ccccc2c1 Amb1117722 [0,0,0,0,0,0|1,1,0]=2 171 B14R2.781 NC(=S)c1ccc2ccccc2n1 Amb18547575 [0,0,0,0,0,0|2,1,0]=3 172 B14R2.781 NC(=S)c1ccc2cccnc2c1 Amb18352376 [0,0,0,0,0,0|2,1,0]=3 173 B14R2.781 NC(=S)c1ccc2ncccc2c1 Amb18352480 [0,0,0,0,0,0|2,1,0]=3 174 B14R2.781 NC(=S)c1ccc2nccnc2c1 Amb28316377 [0,0,0,0,0,0|3,1,0]=4 175 B14R2.781 NC(=S)c1cnc2ccccc2c1 Amb25061220 [0,0,0,0,0,0|2,1,0]=3 176 B14R2.781 NC(=S)c1cnc2ccccc2n1 Amb27841374 [0,0,0,0,0,0|3,1,0]=4 177 B14R2.781 O=C(Br)c1ccc2ccccc2c1 Amb27629780 [0,0,0,0,0,0|1,0,0]=1 178 B14R2.781 O=C(Cl)C1C=Cc2ccccc2C1 Amb27607095 [0,0,0,0,0,0|1,0,2]=3 179 B14R2.781 O=C(Cl)c1ccc2ccccc2c1 Amb3939132 [0,0,0,0,0,0|1,0,0]=1 180 B14R2.781 O=C(Cl)c1ccc2ccccc2n1 Amb2690457 [0,0,0,0,0,0|2,0,0]=2 181 B14R2.781 O=C(Cl)c1ccc2cccnc2c1 Amb26881101 [0,0,0,0,0,0|2,0,0]=2 182 B14R2.781 O=C(Cl)c1ccc2ccncc2c1 Amb28243663 [0,0,0,0,0,0|2,0,0]=2 183 B14R2.781 O=C(Cl)c1ccc2cnccc2c1 Amb27433478 [0,0,0,0,0,0|2,0,0]=2 184 B14R2.781 O=C(Cl)c1ccc2cnncc2c1 Amb25984842 [0,0,0,0,0,0|3,0,0]=3 185 B14R2.781 O=C(Cl)c1ccc2ncccc2c1 Amb10808738 [0,0,0,0,0,0|2,0,0]=2 186 B14R2.781 O=C(Cl)c1ccc2ncccc2c1 Amb18948483 [0,0,0,0,0,0|2,0,0]=2 187 B14R2.781 O=C(Cl)c1ccc2nccnc2c1 Amb2723163 [0,0,0,0,0,0|3,0,0]=3 188 B14R2.781 O=C(Cl)c1cnc2ccccc2c1 Amb16230809 [0,0,0,0,0,0|2,0,0]=2 189 B14R2.781 O=C(Cl)c1cnc2ccccc2n1 Amb2719807 [0,0,0,0,0,0|3,0,0]=3 190 B14R2.781 O=C(Cl)c1nnc2ccccc2n1 Amb35744340 [0,0,0,0,0,0|4,0,0]=4 191 B14R2.781 O=C(F)c1ccc2ccccc2c1 Amb25723360 [0,0,0,0,0,0|1,0,0]=1 192 B14R2.781 O=C(O)C1=CC2C=CC=CN2C=N1 Amb18196965 [0,0,0,0,0,0|3,0,1]=4 193 B14R2.781 O=C(O)C1=CCc2ccccc2O1 Amb27666943 [0,0,0,0,0,0|2,0,1]=3 194 B14R2.781 O=C(O)C1=CNc2ccccc2O1 Amb28343193 [0,0,0,0,0,0|3,0,0]=3 195 B14R2.781 O=C(O)C1=COc2ccccc2C1 Amb27221946 [0,0,0,0,0,0|2,0,1]=3 196 B14R2.781 O=C(O)C1=COc2ccccc2O1 Amb18128045 [0,0,0,0,0,0|3,0,0]=3 197 B14R2.781 O=C(O)C1=COc2ncccc2C1 Amb27475731 [0,0,0,0,0,0|3,0,1]=4 198 B14R2.781 O=C(O)C1=CSc2ccccc2N1 Amb27179145 [0,0,0,0,0,0|3,0,0]=3 199 B14R2.781 O=C(O)C1=Cc2ccccc2CO1 Amb27232943 [0,0,0,0,0,0|2,0,1]=3 200 B14R2.781 O=C(O)C1=Cc2ccccc2OC1 Amb1215611 [0,0,0,0,0,0|2,0,1]=3 201 B14R2.781 O=C(O)C1=Cc2ccccc2SN1 Amb22228836 [0,0,0,0,0,0|3,0,0]=3 202 B14R2.781 O=C(O)C1=NNc2ccccc2S1 Amb18130074 [0,0,0,0,0,0|4,0,0]=4 203 B14R2.781 O=C(O)C1C=Cc2ccccc2C1 Amb17470503 [0,0,0,0,0,0|1,0,2]=3 204 B14R2.781 O=C(O)[C@@H]1C=Cc2ccccc2C1 Amb27952482 [0,0,0,0,0,0|1,0,2]=3 205 B14R2.781 O=C(O)c1cc2ccccc2cn1 Amb2720149 [0,0,0,0,0,0|2,0,0]=2 206 B14R2.781 O=C(O)c1cc2ccccc2cn1 Amb3940183 [0,0,0,0,0,0|2,0,0]=2 207 B14R2.781 O=C(O)c1cc2ccccc2nn1 Amb530406 [0,0,0,0,0,0|3,0,0]=3 208 B14R2.781 O=C(O)c1cc2cccnc2cn1 Amb18197838 [0,0,0,0,0,0|3,0,0]=3 209 B14R2.781 O=C(O)c1cc2ccncc2cn1 Amb18197836 [0,0,0,0,0,0|3,0,0]=3 210 B14R2.781 O=C(O)c1cc2ccnnc2cn1 Amb18197500 [0,0,0,0,0,0|4,0,0]=4 211 B14R2.781 O=C(O)c1cc2cnccc2cn1 Amb18197811 [0,0,0,0,0,0|3,0,0]=3 212 B14R2.781 O=C(O)c1cc2nnccc2cn1 Amb18197501 [0,0,0,0,0,0|4,0,0]=4 213 B14R2.781 O=C(O)c1ccc2c(c1)C=CCC2 Amb26847796 [0,0,0,0,0,0|1,0,2]=3 214 B14R2.781 O=C(O)c1ccc2c(c1)CCC=C2 Amb26304214 [0,0,0,0,0,0|1,0,2]=3 215 B14R2.781 O=C(O)c1ccc2ccccc2c1 Amb17678851 [0,0,0,0,0,0|1,0,0]=1 216 B14R2.781 O=C(O)c1ccc2ccccc2n1 Amb1233401 [0,0,0,0,0,0|2,0,0]=2 217 B14R2.781 O=C(O)c1ccc2ccccc2n1 Amb21858747 [0,0,0,0,0,0|2,0,0]=2 218 B14R2.781 O=C(O)c1ccc2ccccc2n1 Amb33513278 [0,0,0,0,0,0|2,0,0]=2 219 B14R2.781 O=C(O)c1ccc2cccnc2c1 Amb2548374 [0,0,0,0,0,0|2,0,0]=2 220 B14R2.781 O=C(O)c1ccc2cccnc2n1 Amb2567493 [0,0,0,0,0,0|3,0,0]=3 221 B14R2.781 O=C(O)c1ccc2cccnc2n1 Amb2691468 [0,0,0,0,0,0|3,0,0]=3 222 B14R2.781 O=C(O)c1ccc2cccnc2n1 Amb34202999 [0,0,0,0,0,0|3,0,0]=3 223 B14R2.781 O=C(O)c1ccc2ccncc2c1 Amb8009842 [0,0,0,0,0,0|2,0,0]=2 224 B14R2.781 O=C(O)c1ccc2ccncc2n1 Amb21962775 [0,0,0,0,0,0|3,0,0]=3 225 B14R2.781 O=C(O)c1ccc2cnccc2c1 Amb33542741 [0,0,0,0,0,0|2,0,0]=2 226 B14R2.781 O=C(O)c1ccc2cnccc2n1 Amb2691469 [0,0,0,0,0,0|3,0,0]=3 227 B14R2.781 O=C(O)c1ccc2cncnc2c1 Amb23439150 [0,0,0,0,0,0|3,0,0]=3 228 B14R2.781 O=C(O)c1ccc2cncnc2n1 Amb18197502 [0,0,0,0,0,0|4,0,0]=4 229 B14R2.781 O=C(O)c1ccc2cnncc2c1 Amb28124751 [0,0,0,0,0,0|3,0,0]=3 230 B14R2.781 O=C(O)c1ccc2ncccc2c1 Amb10553803 [0,0,0,0,0,0|2,0,0]=2 231 B14R2.781 O=C(O)c1ccc2ncccc2c1 Amb6335229 [0,0,0,0,0,0|2,0,0]=2 232 B14R2.781 O=C(O)c1ccc2ncccc2n1 Amb5627449 [0,0,0,0,0,0|3,0,0]=3 233 B14R2.781 O=C(O)c1ccc2nccnc2c1 Amb1209684 [0,0,0,0,0,0|3,0,0]=3 234 B14R2.781 O=C(O)c1ccc2nccnc2n1 Amb2795876 [0,0,0,0,0,0|4,0,0]=4 235 B14R2.781 O=C(O)c1ccc2ncncc2c1 Amb10604067 [0,0,0,0,0,0|3,0,0]=3 236 B14R2.781 O=C(O)c1ccc2nnccc2c1 Amb25368925 [0,0,0,0,0,0|3,0,0]=3 237 B14R2.781 O=C(O)c1cnc2ccccc2c1 Amb1995107 [0,0,0,0,0,0|2,0,0]=2 238 B14R2.781 O=C(O)c1cnc2ccccc2n1 Amb6355834 [0,0,0,0,0,0|3,0,0]=3 239 B14R2.781 O=C(O)c1cnc2cccnc2c1 Amb9174242 [0,0,0,0,0,0|3,0,0]=3 240 B14R2.781 O=C(O)c1cnc2ccncc2c1 Amb9701811 [0,0,0,0,0,0|3,0,0]=3 241 B14R2.781 O=C(O)c1cnc2cnccc2c1 Amb20248674 [0,0,0,0,0,0|3,0,0]=3 242 B14R2.781 O=C(O)c1cnc2cnccc2n1 Amb27813441 [0,0,0,0,0,0|4,0,0]=4 243 B14R2.781 O=C(O)c1cnc2ncccc2c1 Amb2795317 [0,0,0,0,0,0|3,0,0]=3 244 B14R2.781 O=C(O)c1cnc2ncccc2n1 Amb10071424 [0,0,0,0,0,0|4,0,0]=4 245 B14R2.781 O=C(O)c1cnc2nccnc2c1 Amb2795885 [0,0,0,0,0,0|4,0,0]=4 246 B14R2.781 O=C(O)c1ncc2ccccc2n1 Amb10241300 [0,0,0,0,0,0|3,0,0]=3 247 B14R2.781 O=C(O)c1ncc2ccccc2n1 Amb9854893 [0,0,0,0,0,0|3,0,0]=3 248 B14R2.781 O=C(O)c1ncc2ccncc2n1 Amb27969520 [0,0,0,0,0,0|4,0,0]=4 249 B14R2.781 O=C(O)c1ncc2cnccc2n1 Amb28058636 [0,0,0,0,0,0|4,0,0]=4 250 B14R2.781 O=C(O)c1nnc2ccccc2n1 Amb18647881 [0,0,0,0,0,0|4,0,0]=4 251 B14R2.781 O=C([O-])c1cc2ccccc2cn1 Amb33513246 [0,0,0,0,0,0|2,0,0]=2 252 B14R2.781 O=C([O-])c1cc2ccccc2nn1 Amb7969762 [0,0,0,0,0,0|3,0,0]=3 253 B14R2.781 O=C([O-])c1ccc2ccccc2c1 Amb22045657 [0,0,0,0,0,0|1,0,0]=1 254 B14R2.781 O=C([O-])c1ccc2ccccc2n1 Amb22730245 [0,0,0,0,0,0|2,0,0]=2 255 B14R2.781 O=C([O-])c1ccc2cnccc2n1 Amb33513110 [0,0,0,0,0,0|3,0,0]=3 256 B14R2.781 O=C([O-])c1ccc2nccnc2c1 Amb2519063 [0,0,0,0,0,0|3,0,0]=3 257 B14R2.781 O=N(=O)c1ccc2cccnc2c1 Amb20621920 [0,0,0,0,0,0|3,0,0]=3 258 B14R2.781 O=N(=O)c1ccc2ncccc2c1 Amb20621921 [0,0,0,0,0,0|3,0,0]=3 259 B14R2.781 O=S(Cl)c1ccc2ccccc2c1 Amb27974351 [0,0,0,0,0,0|2,0,0]=2 260 B14R2.781 O=S(O)c1ccc2ccccc2c1 Amb4013237 [0,0,0,0,0,0|2,0,0]=2 261 B14R2.781 O=S([O-])C1=Cc2ccccc2CC1 Amb25843494 [0,0,0,0,0,0|2,0,2]=4 262 B14R2.781 O=S([O-])C1=Cc2ccccc2OC1 Amb32754116 [0,0,0,0,0,0|3,0,1]=4 263 B14R2.781 O=S([O-])c1ccc2ccccc2c1 Amb19944455 [0,0,0,0,0,0|2,0,0]=2 264 B14R2.781 O=S([O-])c1ccc2ccccc2n1 Amb32755763 [0,0,0,0,0,0|3,0,0]=3 265 B14R2.781 O=S([O-])c1ccc2cnccc2c1 Amb32754521 [0,0,0,0,0,0|3,0,0]=3 266 B14R2.781 O=S([O-])c1ccc2ncccc2c1 Amb32754151 [0,0,0,0,0,0|3,0,0]=3 267 B14R2.781 O=S([O-])c1cnc2ccccc2c1 Amb32754816 [0,0,0,0,0,0|3,0,0]=3 268 B14R2.781 O=[N+]([O-])c1cc2ccccc2cn1 Amb27244121 [0,0,0,0,0,0|3,0,0]=3 269 B14R2.781 O=[N+]([O-])c1cc2ccccc2nn1 Amb22752613 [0,0,0,0,0,0|4,0,0]=4 270 B14R2.781 O=[N+]([O-])c1ccc2c(c1)C=CCC2 Amb27396085 [0,0,0,0,0,0|2,0,2]=4 271 B14R2.781 O=[N+]([O-])c1ccc2c(c1)C=CNC2 Amb27180060 [0,0,0,0,0,0|3,0,1]=4 272 B14R2.781 O=[N+]([O-])c1ccc2c(c1)CNC=C2 Amb27830236 [0,0,0,0,0,0|3,0,1]=4 273 B14R2.781 O=[N+]([O-])c1ccc2ccccc2c1 Amb9787778 [0,0,0,0,0,0|2,0,0]=2 274 B14R2.781 O=[N+]([O-])c1ccc2ccccc2n1 Amb26046367 [0,0,0,0,0,0|3,0,0]=3 275 B14R2.781 O=[N+]([O-])c1ccc2cccnc2c1 Amb2610660 [0,0,0,0,0,0|3,0,0]=3 276 B14R2.781 O=[N+]([O-])c1ccc2cccnc2n1 Amb27968236 [0,0,0,0,0,0|4,0,0]=4 277 B14R2.781 O=[N+]([O-])c1ccc2ccncc2c1 Amb18349237 [0,0,0,0,0,0|3,0,0]=3 278 B14R2.781 O=[N+]([O-])c1ccc2cnccc2c1 Amb19100678 [0,0,0,0,0,0|3,0,0]=3 279 B14R2.781 O=[N+]([O-])c1ccc2cnccc2n1 Amb28051683 [0,0,0,0,0,0|4,0,0]=4 280 B14R2.781 O=[N+]([O-])c1ccc2cncnc2c1 Amb5718817 [0,0,0,0,0,0|4,0,0]=4 281 B14R2.781 O=[N+]([O-])c1ccc2cnncc2c1 Amb2703278 [0,0,0,0,0,0|4,0,0]=4 282 B14R2.781 O=[N+]([O-])c1ccc2ncccc2c1 Amb1117677 [0,0,0,0,0,0|3,0,0]=3 283 B14R2.781 O=[N+]([O-])c1ccc2ncccc2n1 Amb27796584 [0,0,0,0,0,0|4,0,0]=4 284 B14R2.781 O=[N+]([O-])c1ccc2nccnc2c1 Amb1072108 [0,0,0,0,0,0|4,0,0]=4 285 B14R2.781 O=[N+]([O-])c1ccc2ncncc2c1 Amb25324309 [0,0,0,0,0,0|4,0,0]=4 286 B14R2.781 O=[N+]([O-])c1cnc2ccccc2c1 Amb2615444 [0,0,0,0,0,0|3,0,0]=3 287 B14R2.781 O=[N+]([O-])c1cnc2ccncc2c1 Amb22500679 [0,0,0,0,0,0|4,0,0]=4 288 B14R2.781 OB(O)c1ccc2ccccc2c1 Amb2383493 [0,0,0,0,0,0|2,0,1]=3 289 B14R2.781 OB(O)c1ccc2ccccc2n1 Amb8397278 [0,0,0,0,0,0|3,0,1]=4 290 B14R2.781 OB(O)c1ccc2cccnc2c1 Amb16185641 [0,0,0,0,0,0|3,0,1]=4 291 B14R2.781 OB(O)c1ccc2ccncc2c1 Amb16185766 [0,0,0,0,0,0|3,0,1]=4 292 B14R2.781 OB(O)c1ccc2cnccc2c1 Amb10071487 [0,0,0,0,0,0|3,0,1]=4 293 B14R2.781 OB(O)c1ccc2cnccc2c1 Amb28989450 [0,0,0,0,0,0|3,0,1]=4 294 B14R2.781 OB(O)c1ccc2ncccc2c1 Amb10069986 [0,0,0,0,0,0|3,0,1]=4 295 B14R2.781 OB(O)c1ccc2ncccc2c1 Amb1995117 [0,0,0,0,0,0|3,0,1]=4 296 B14R2.781 OB(O)c1ccc2ncccc2c1 Amb22492393 [0,0,0,0,0,0|3,0,1]=4 297 B14R2.781 OB(O)c1cnc2ccccc2c1 Amb10069114 [0,0,0,0,0,0|3,0,1]=4 298 B14R2.781 OB(O)c1cnc2ccccc2c1 Amb1995105 [0,0,0,0,0,0|3,0,1]=4 299 B14R2.781 OC(=S)c1ccc2ncccc2n1 Amb27200757 [0,0,0,0,0,0|3,0,1]=4 300 B13R2.57 BrCc1ccc2ccccc2c1 Amb2609043 [1,0,0,0,0,0|1,0,1]=3 301 B13R2.57 BrCc1ccc2ccccc2n1 Amb21857522 [1,0,0,0,0,0|2,0,1]=4 302 B13R2.57 BrCc1ccc2ccccc2n1 Amb8397282 [1,0,0,0,0,0|2,0,1]=4 303 B13R2.57 BrCc1ccc2cccnc2c1 Amb21927780 [1,0,0,0,0,0|2,0,1]=4 304 B13R2.57 BrCc1ccc2cccnc2c1 Amb25202125 [1,0,0,0,0,0|2,0,1]=4 305 B13R2.57 BrCc1ccc2ccncc2c1 Amb10070401 [1,0,0,0,0,0|2,0,1]=4 306 B13R2.57 BrCc1ccc2ccncc2c1 Amb13890504 [1,0,0,0,0,0|2,0,1]=4 307 B13R2.57 BrCc1ccc2cnccc2c1 Amb10070778 [1,0,0,0,0,0|2,0,1]=4 308 B13R2.57 BrCc1ccc2ncccc2c1 Amb22641432 [1,0,0,0,0,0|2,0,1]=4 309 B13R2.57 BrCc1cnc2ccccc2c1 Amb24061934 [1,0,0,0,0,0|2,0,1]=4 310 B13R2.57 BrCc1cnc2ccccc2c1 Amb32652350 [1,0,0,0,0,0|2,0,1]=4 311 B13R2.57 C#Cc1ccc2ccccc2c1 Amb10071054 [1,0,0,0,0,0|0,0,2]=3 312 B13R2.57 C#Cc1ccc2ccccc2n1 Amb22490538 [1,0,0,0,0,0|1,0,2]=4 313 B13R2.57 C#Cc1ccc2cccnc2c1 Amb21857606 [1,0,0,0,0,0|1,0,2]=4 314 B13R2.57 C#Cc1ccc2cnccc2c1 Amb21857755 [1,0,0,0,0,0|1,0,2]=4 315 B13R2.57 C#Cc1ccc2ncccc2c1 Amb18787471 [1,0,0,0,0,0|1,0,2]=4 316 B13R2.57 C#Cc1cnc2ccccc2c1 Amb776988 [1,0,0,0,0,0|1,0,2]=4 317 B13R2.57 C=Cc1ccc2ccccc2c1 Amb8394029 [1,0,0,0,0,0|0,0,1]=2 318 B13R2.57 C=Cc1ccc2ccccc2n1 Amb10071967 [1,0,0,0,0,0|1,0,1]=3 319 B13R2.57 C=Cc1ccc2cccnc2c1 Amb32681920 [1,0,0,0,0,0|1,0,1]=3 320 B13R2.57 C=Cc1ccc2cccnc2n1 Amb25090917 [1,0,0,0,0,0|2,0,1]=4 321 B13R2.57 C=Cc1ccc2ccncc2n1 Amb25894686 [1,0,0,0,0,0|2,0,1]=4 322 B13R2.57 C=Cc1ccc2cnccc2c1 Amb28066715 [1,0,0,0,0,0|1,0,1]=3 323 B13R2.57 C=Cc1ccc2cncnc2c1 Amb27239005 [1,0,0,0,0,0|2,0,1]=4 324 B13R2.57 C=Cc1ccc2ncccc2c1 Amb26841127 [1,0,0,0,0,0|1,0,1]=3 325 B13R2.57 C=Cc1ccc2ncccc2n1 Amb25682614 [1,0,0,0,0,0|2,0,1]=4 326 B13R2.57 C=Cc1ccc2ncncc2c1 Amb28043018 [1,0,0,0,0,0|2,0,1]=4 327 B13R2.57 C=Cc1cnc2ccccc2c1 Amb8394032 [1,0,0,0,0,0|1,0,1]=3 328 B13R2.57 C=Cc1cnc2ccccc2n1 Amb24085078 [1,0,0,0,0,0|2,0,1]=4 329 B13R2.57 C=Cc1cnc2cccnc2c1 Amb25842365 [1,0,0,0,0,0|2,0,1]=4 330 B13R2.57 C=Cc1cnc2cnccc2c1 Amb27663550 [1,0,0,0,0,0|2,0,1]=4 331 B13R2.57 C=Cc1cnc2ncccc2c1 Amb27653603 [1,0,0,0,0,0|2,0,1]=4 332 B13R2.57 C=Nc1ccc2ncccc2c1 Amb27667186 [1,0,0,0,0,0|2,0,1]=4 333 B13R2.57 CCC1C=Cc2ccccc2N1 Amb27949234 [1,0,0,0,0,0|1,0,2]=4 334 B13R2.57 CC[n+]1ccc2ccccc2c1 Amb27649764 [1,0,0,0,0,0|1,0,1]=3 335 B13R2.57 CCc1ccc2c(c1)C=CCN2 Amb18559646 [1,0,0,0,0,0|1,0,2]=4 336 B13R2.57 CCc1ccc2c(c1)C=CCO2 Amb23441446 [1,0,0,0,0,0|1,0,2]=4 337 B13R2.57 CCc1ccc2ccccc2c1 Amb6298320 [1,0,0,0,0,0|0,0,1]=2 338 B13R2.57 CCc1ccc2ccccc2n1 Amb20667571 [1,0,0,0,0,0|1,0,1]=3 339 B13R2.57 CCc1ccc2cccnc2c1 Amb24436476 [1,0,0,0,0,0|1,0,1]=3 340 B13R2.57 CCc1ccc2cccnc2n1 Amb28141810 [1,0,0,0,0,0|2,0,1]=4 341 B13R2.57 CCc1ccc2ccncc2c1 Amb19100642 [1,0,0,0,0,0|1,0,1]=3 342 B13R2.57 CCc1ccc2cnccc2c1 Amb24091669 [1,0,0,0,0,0|1,0,1]=3 343 B13R2.57 CCc1ccc2cnccc2n1 Amb24648881 [1,0,0,0,0,0|2,0,1]=4 344 B13R2.57 CCc1ccc2ncccc2c1 Amb18355325 [1,0,0,0,0,0|1,0,1]=3 345 B13R2.57 CCc1ccc2ncncc2c1 Amb28435490 [1,0,0,0,0,0|2,0,1]=4 346 B13R2.57 CCc1cnc2ccccc2c1 Amb15691863 [1,0,0,0,0,0|1,0,1]=3 347 B13R2.57 CNc1ccc2ccccc2c1 Amb415893 [1,0,0,0,0,0|1,0,0]=2 348 B13R2.57 CNc1ccc2ccccc2n1 Amb6627062 [1,0,0,0,0,0|2,0,0]=3 349 B13R2.57 CNc1ccc2cccnc2c1 Amb5717611 [1,0,0,0,0,0|2,0,0]=3 350 B13R2.57 CNc1ccc2cnccc2c1 Amb19109233 [1,0,0,0,0,0|2,0,0]=3 351 B13R2.57 CNc1ccc2cnccc2c1 Amb33532500 [1,0,0,0,0,0|2,0,0]=3 352 B13R2.57 CNc1ccc2cnccc2c1 Amb35789161 [1,0,0,0,0,0|2,0,0]=3 353 B13R2.57 CNc1ccc2ncccc2c1 Amb18949283 [1,0,0,0,0,0|2,0,0]=3 354 B13R2.57 CNc1ccc2ncccc2n1 Amb22751196 [1,0,0,0,0,0|3,0,0]=4 355 B13R2.57 CNc1ccc2nnccc2c1 Amb22751177 [1,0,0,0,0,0|3,0,0]=4 356 B13R2.57 CNc1cnc2ccccc2c1 Amb18948972 [1,0,0,0,0,0|2,0,0]=3 357 B13R2.57 CNc1cnc2ccccc2n1 Amb18947325 [1,0,0,0,0,0|3,0,0]=4 358 B13R2.57 CNc1ncc2ccccc2n1 Amb25363322 [1,0,0,0,0,0|3,0,0]=4 359 B13R2.57 COc1cc2ccccc2cn1 Amb25861237 [1,0,0,0,0,0|2,0,0]=3 360 B13R2.57 COc1cc2ccncc2cn1 Amb28250059 [1,0,0,0,0,0|3,0,0]=4 361 B13R2.57 COc1cc2ncccc2cn1 Amb27847145 [1,0,0,0,0,0|3,0,0]=4 362 B13R2.57 COc1ccc2c(c1)C=CCC2 Amb2383773 [1,0,0,0,0,0|1,0,2]=4 363 B13R2.57 COc1ccc2c(c1)C=CCN2 Amb18062202 [1,0,0,0,0,0|2,0,1]=4 364 B13R2.57 COc1ccc2c(c1)C=CCO2 Amb23441461 [1,0,0,0,0,0|2,0,1]=4 365 B13R2.57 COc1ccc2c(c1)CCC=C2 Amb26651800 [1,0,0,0,0,0|1,0,2]=4 366 B13R2.57 COc1ccc2c(c1)NCC=C2 Amb18559644 [1,0,0,0,0,0|2,0,1]=4 367 B13R2.57 COc1ccc2ccccc2c1 Amb2610832 [1,0,0,0,0,0|1,0,0]=2 368 B13R2.57 COc1ccc2ccccc2n1 Amb20171196 [1,0,0,0,0,0|2,0,0]=3 369 B13R2.57 COc1ccc2cccnc2c1 Amb17617089 [1,0,0,0,0,0|2,0,0]=3 370 B13R2.57 COc1ccc2cccnc2c1 Amb24183299 [1,0,0,0,0,0|2,0,0]=3 371 B13R2.57 COc1ccc2cccnc2n1 Amb27624881 [1,0,0,0,0,0|3,0,0]=4 372 B13R2.57 COc1ccc2ccncc2c1 Amb10610318 [1,0,0,0,0,0|2,0,0]=3 373 B13R2.57 COc1ccc2ccncc2c1 Amb5638098 [1,0,0,0,0,0|2,0,0]=3 374 B13R2.57 COc1ccc2cnccc2c1 Amb10071944 [1,0,0,0,0,0|2,0,0]=3 375 B13R2.57 COc1ccc2cnccc2c1 Amb22236031 [1,0,0,0,0,0|2,0,0]=3 376 B13R2.57 COc1ccc2cncnc2c1 Amb22745180 [1,0,0,0,0,0|3,0,0]=4 377 B13R2.57 COc1ccc2cnncc2c1 Amb26464081 [1,0,0,0,0,0|3,0,0]=4 378 B13R2.57 COc1ccc2ncccc2c1 Amb1156981 [1,0,0,0,0,0|2,0,0]=3 379 B13R2.57 COc1ccc2ncccc2n1 Amb27453648 [1,0,0,0,0,0|3,0,0]=4 380 B13R2.57 COc1ccc2nccnc2c1 Amb10068725 [1,0,0,0,0,0|3,0,0]=4 381 B13R2.57 COc1cnc2ccccc2c1 Amb19957896 [1,0,0,0,0,0|2,0,0]=3 382 B13R2.57 COc1cnc2cccnc2c1 Amb21959422 [1,0,0,0,0,0|3,0,0]=4 383 B13R2.57 COc1ncc2ccccc2n1 Amb22745160 [1,0,0,0,0,0|3,0,0]=4 384 B13R2.57 CSc1ccc2ccccc2c1 Amb2609071 [1,0,0,0,0,0|1,0,0]=2 385 B13R2.57 CSc1ccc2ccccc2n1 Amb6477854 [1,0,0,0,0,0|2,0,0]=3 386 B13R2.57 CSc1ccc2cccnc2n1 Amb27186169 [1,0,0,0,0,0|3,0,0]=4 387 B13R2.57 CSc1ccc2ccncc2c1 Amb27968016 [1,0,0,0,0,0|2,0,0]=3 388 B13R2.57 ClCc1c[nH+]c2ccccc2c1 Amb31273163 [1,0,0,0,0,0|2,0,1]=4 389 B13R2.57 ClCc1cc2ccccc2cn1 Amb20620761 [1,0,0,0,0,0|2,0,1]=4 390 B13R2.57 ClCc1cc2ccccc2cn1 Amb22235579 [1,0,0,0,0,0|2,0,1]=4 391 B13R2.57 ClCc1ccc2ccccc2[nH+]1 Amb24113853 [1,0,0,0,0,0|2,0,1]=4 392 B13R2.57 ClCc1ccc2ccccc2c1 Amb2796492 [1,0,0,0,0,0|1,0,1]=3 393 B13R2.57 ClCc1ccc2ccccc2n1 Amb6892745 [1,0,0,0,0,0|2,0,1]=4 394 B13R2.57 ClCc1ccc2cccnc2c1 Amb25259693 [1,0,0,0,0,0|2,0,1]=4 395 B13R2.57 ClCc1ccc2cccnc2c1 Amb32757719 [1,0,0,0,0,0|2,0,1]=4 396 B13R2.57 ClCc1ccc2ccncc2c1 Amb27955828 [1,0,0,0,0,0|2,0,1]=4 397 B13R2.57 ClCc1ccc2cnccc2c1 Amb25138786 [1,0,0,0,0,0|2,0,1]=4 398 B13R2.57 ClCc1ccc2cnccc2c1 Amb32751753 [1,0,0,0,0,0|2,0,1]=4 399 B13R2.57 ClCc1ccc2ncccc2c1 Amb32685297 [1,0,0,0,0,0|2,0,1]=4 400 B13R2.57 ClCc1ccc2ncccc2c1 Amb9132860 [1,0,0,0,0,0|2,0,1]=4 401 B13R2.57 ClCc1cnc2ccccc2c1 Amb19375278 [1,0,0,0,0,0|2,0,1]=4 402 B13R2.57 FCc1ccc2ccccc2c1 Amb28139672 [1,0,0,0,0,0|1,0,1]=3 403 B13R2.57 ICc1ccc2ccccc2n1 Amb28141827 [1,0,0,0,0,0|2,0,1]=4 404 B13R2.57 N#Cc1cc2ccccc2cn1 Amb8395995 [1,0,0,0,0,0|2,0,1]=4 405 B13R2.57 N#Cc1ccc2ccccc2c1 Amb4009131 [1,0,0,0,0,0|1,0,1]=3 406 B13R2.57 N#Cc1ccc2ccccc2n1 Amb1063463 [1,0,0,0,0,0|2,0,1]=4 407 B13R2.57 N#Cc1ccc2cccnc2c1 Amb9901753 [1,0,0,0,0,0|2,0,1]=4 408 B13R2.57 N#Cc1ccc2ccncc2c1 Amb10842296 [1,0,0,0,0,0|2,0,1]=4 409 B13R2.57 N#Cc1ccc2cnccc2c1 Amb10842295 [1,0,0,0,0,0|2,0,1]=4 410 B13R2.57 N#Cc1ccc2ncccc2c1 Amb18787501 [1,0,0,0,0,0|2,0,1]=4 411 B13R2.57 N#Cc1cnc2ccccc2c1 Amb2390028 [1,0,0,0,0,0|2,0,1]=4 412 B13R2.57 N#[N+]c1ccc2ncccc2c1 Amb27850516 [1,0,0,0,0,0|3,0,0]=4 413 B13R2.57 N=Cc1ccc2ccccc2n1 Amb27642853 [1,0,0,0,0,0|2,0,0]=3 414 B13R2.57 NCc1cc2ccccc2cn1 Amb22728928 [1,0,0,0,0,0|2,0,1]=4 415 B13R2.57 NCc1cc2ccccc2cn1 Amb8010863 [1,0,0,0,0,0|2,0,1]=4 416 B13R2.57 NCc1ccc2ccccc2c1 Amb1120053 [1,0,0,0,0,0|1,0,1]=3 417 B13R2.57 NCc1ccc2ccccc2c1 Amb19957972 [1,0,0,0,0,0|1,0,1]=3 418 B13R2.57 NCc1ccc2ccccc2c1 Amb7969859 [1,0,0,0,0,0|1,0,1]=3 419 B13R2.57 NCc1ccc2ccccc2n1 Amb1139476 [1,0,0,0,0,0|2,0,1]=4 420 B13R2.57 NCc1ccc2ccccc2n1 Amb15695438 [1,0,0,0,0,0|2,0,1]=4 421 B13R2.57 NCc1ccc2ccccc2n1 Amb7990033 [1,0,0,0,0,0|2,0,1]=4 422 B13R2.57 NCc1ccc2cccnc2c1 Amb16185723 [1,0,0,0,0,0|2,0,1]=4 423 B13R2.57 NCc1ccc2cccnc2c1 Amb21928073 [1,0,0,0,0,0|2,0,1]=4 424 B13R2.57 NCc1ccc2ccncc2c1 Amb8009846 [1,0,0,0,0,0|2,0,1]=4 425 B13R2.57 NCc1ccc2cnccc2c1 Amb22736520 [1,0,0,0,0,0|2,0,1]=4 426 B13R2.57 NCc1ccc2cnccc2c1 Amb33533285 [1,0,0,0,0,0|2,0,1]=4 427 B13R2.57 NCc1ccc2ncccc2c1 Amb10608799 [1,0,0,0,0,0|2,0,1]=4 428 B13R2.57 NCc1ccc2ncccc2c1 Amb10825274 [1,0,0,0,0,0|2,0,1]=4 429 B13R2.57 NCc1ccc2ncccc2c1 Amb1946047 [1,0,0,0,0,0|2,0,1]=4 430 B13R2.57 NCc1cnc2ccccc2c1 Amb10576326 [1,0,0,0,0,0|2,0,1]=4 431 B13R2.57 NCc1cnc2ccccc2c1 Amb17622269 [1,0,0,0,0,0|2,0,1]=4 432 B13R2.57 NCc1cnc2ccccc2c1 Amb33527281 [1,0,0,0,0,0|2,0,1]=4 433 B13R2.57 NCc1cnc2ccccc2c1 Amb33545553 [1,0,0,0,0,0|2,0,1]=4 434 B13R2.57 NNc1cc2ccccc2cn1 Amb5494121 [1,0,0,0,0,0|3,0,0]=4 435 B13R2.57 NNc1ccc2ccccc2c1 Amb1772358 [1,0,0,0,0,0|2,0,0]=3 436 B13R2.57 NNc1ccc2ccccc2c1 Amb6296513 [1,0,0,0,0,0|2,0,0]=3 437 B13R2.57 NNc1ccc2ccccc2n1 Amb1105542 [1,0,0,0,0,0|3,0,0]=4 438 B13R2.57 NNc1ccc2cccnc2c1 Amb18645204 [1,0,0,0,0,0|3,0,0]=4 439 B13R2.57 NNc1ccc2cccnc2c1 Amb22235093 [1,0,0,0,0,0|3,0,0]=4 440 B13R2.57 NNc1ccc2ccncc2c1 Amb24548856 [1,0,0,0,0,0|3,0,0]=4 441 B13R2.57 NNc1ccc2cnccc2c1 Amb10844883 [1,0,0,0,0,0|3,0,0]=4 442 B13R2.57 NNc1ccc2ncccc2c1 Amb18182419 [1,0,0,0,0,0|3,0,0]=4 443 B13R2.57 NNc1ccc2ncccc2c1 Amb21964376 [1,0,0,0,0,0|3,0,0]=4 444 B13R2.57 NNc1cnc2ccccc2c1 Amb18645202 [1,0,0,0,0,0|3,0,0]=4 445 B13R2.57 NNc1cnc2ccccc2c1 Amb28984102 [1,0,0,0,0,0|3,0,0]=4 446 B13R2.57 NOc1ccc2ncccc2c1 Amb24397483 [1,0,0,0,0,0|3,0,0]=4 447 B13R2.57 O=CC1=CNc2ccccc2C1 Amb25152519 [1,0,0,0,0,0|1,0,1]=3 448 B13R2.57 O=CC1=COc2ccccc2O1 Amb25348637 [1,0,0,0,0,0|2,0,0]=3 449 B13R2.57 O=CC1=CSc2ccccc2S1 Amb28239532 [1,0,0,0,0,0|2,0,0]=3 450 B13R2.57 O=CC1=Cc2ccccc2OC1 Amb1158025 [1,0,0,0,0,0|1,0,1]=3 451 B13R2.57 O=CC1=Cc2ccccc2SS1 Amb27409512 [1,0,0,0,0,0|2,0,0]=3 452 B13R2.57 O=Cc1cc2ccccc2cn1 Amb8010573 [1,0,0,0,0,0|1,0,0]=2 453 B13R2.57 O=Cc1cc2cccnc2cn1 Amb31379099 [1,0,0,0,0,0|2,0,0]=3 454 B13R2.57 O=Cc1ccc2c(c1)NC=CO2 Amb27213205 [1,0,0,0,0,0|2,0,0]=3 455 B13R2.57 O=Cc1ccc2c(c1)OC=CO2 Amb28344164 [1,0,0,0,0,0|2,0,0]=3 456 B13R2.57 O=Cc1ccc2c(n1)NCC=C2 Amb27430445 [1,0,0,0,0,0|2,0,1]=4 457 B13R2.57 O=Cc1ccc2ccccc2c1 Amb3939951 [1,0,0,0,0,0|0,0,0]=1 458 B13R2.57 O=Cc1ccc2ccccc2n1 Amb533663 [1,0,0,0,0,0|1,0,0]=2 459 B13R2.57 O=Cc1ccc2cccnc2c1 Amb2548373 [1,0,0,0,0,0|1,0,0]=2 460 B13R2.57 O=Cc1ccc2cccnc2n1 Amb1323330 [1,0,0,0,0,0|2,0,0]=3 461 B13R2.57 O=Cc1ccc2ccncc2c1 Amb8010572 [1,0,0,0,0,0|1,0,0]=2 462 B13R2.57 O=Cc1ccc2ccncc2n1 Amb22498133 [1,0,0,0,0,0|2,0,0]=3 463 B13R2.57 O=Cc1ccc2cnccc2c1 Amb8010571 [1,0,0,0,0,0|1,0,0]=2 464 B13R2.57 O=Cc1ccc2cnccc2n1 Amb3931332 [1,0,0,0,0,0|2,0,0]=3 465 B13R2.57 O=Cc1ccc2cncnc2c1 Amb24456830 [1,0,0,0,0,0|2,0,0]=3 466 B13R2.57 O=Cc1ccc2ncccc2c1 Amb1266161 [1,0,0,0,0,0|1,0,0]=2 467 B13R2.57 O=Cc1ccc2ncccc2n1 Amb25292132 [1,0,0,0,0,0|2,0,0]=3 468 B13R2.57 O=Cc1ccc2nccnc2c1 Amb1158037 [1,0,0,0,0,0|2,0,0]=3 469 B13R2.57 O=Cc1cnc2ccccc2c1 Amb1995106 [1,0,0,0,0,0|1,0,0]=2 470 B13R2.57 O=Cc1cnc2ccccc2n1 Amb6315572 [1,0,0,0,0,0|2,0,0]=3 471 B13R2.57 O=Cc1cnc2cccnc2c1 Amb13890074 [1,0,0,0,0,0|2,0,0]=3 472 B13R2.57 O=Cc1cnc2cccnc2n1 Amb27616908 [1,0,0,0,0,0|3,0,0]=4 473 B13R2.57 O=Cc1cnc2ccncc2c1 Amb27846960 [1,0,0,0,0,0|2,0,0]=3 474 B13R2.57 O=Cc1cnc2ncccc2c1 Amb8010589 [1,0,0,0,0,0|2,0,0]=3 475 B13R2.57 O=Nc1ccc2ccccc2c1 Amb27170669 [1,0,0,0,0,0|1,0,0]=2 476 B13R2.57 OCc1cc2ccccc2cn1 Amb8439028 [1,0,0,0,0,0|1,0,2]=4 477 B13R2.57 OCc1ccc2ccccc2c1 Amb2389960 [1,0,0,0,0,0|0,0,2]=3 478 B13R2.57 OCc1ccc2ccccc2n1 Amb1154605 [1,0,0,0,0,0|1,0,2]=4 479 B13R2.57 OCc1ccc2cccnc2c1 Amb19105058 [1,0,0,0,0,0|1,0,2]=4 480 B13R2.57 OCc1ccc2ccncc2c1 Amb19104916 [1,0,0,0,0,0|1,0,2]=4 481 B13R2.57 OCc1ccc2cnccc2c1 Amb10070398 [1,0,0,0,0,0|1,0,2]=4 482 B13R2.57 OCc1ccc2ncccc2c1 Amb1995120 [1,0,0,0,0,0|1,0,2]=4 483 B13R2.57 OCc1cnc2ccccc2c1 Amb1995109 [1,0,0,0,0,0|1,0,2]=4 484 B13R2.57 OCc1cnc2ccccc2c1 Amb20668047 [1,0,0,0,0,0|1,0,2]=4 485 B13R2.57 SCc1ccc2ccccc2c1 Amb21943705 [1,0,0,0,0,0|0,1,1]=3 486 B13R2.57 SCc1ccc2ccccc2n1 Amb28200238 [1,0,0,0,0,0|1,1,1]=4 487 B13R2.57 SCc1ccc2cccnc2c1 Amb32878081 [1,0,0,0,0,0|1,1,1]=4 488 B13R2.57 SCc1ccc2cnccc2c1 Amb32788552 [1,0,0,0,0,0|1,1,1]=4 489 B13R2.57 SCc1ccc2ncccc2c1 Amb26634583 [1,0,0,0,0,0|1,1,1]=4 490 B13R2.57 SCc1cnc2ccccc2c1 Amb25083301 [1,0,0,0,0,0|1,1,1]=4 491 B13R2.57 [C-]#[N+]c1ccc2ccccc2c1 Amb22348022 [1,0,0,0,0,0|1,0,1]=3 492 B13R2.57 [C-]#[N+]c1ccc2ccccc2n1 Amb33200400 [1,0,0,0,0,0|2,0,1]=4 493 B13R2.57 [C-]#[N+]c1ccc2cccnc2c1 Amb32880579 [1,0,0,0,0,0|2,0,1]=4 494 B13R2.57 [C-]#[N+]c1ccc2ncccc2c1 Amb26440687 [1,0,0,0,0,0|2,0,1]=4 495 B13R2.57 [C-]#[N+]c1cnc2ccccc2c1 Amb25320374 [1,0,0,0,0,0|2,0,1]=4 496 B15R2.627 C=C1c2ccccc2CCN1C(C)=O Amb27250680 [0,1,0,0,0,0|1,0,2]=4 497 B15R2.627 CC(=O)C1=CC=C2C=CC=CN2C1=O Amb24309335 [0,1,0,0,0,0|1,0,0]=2 498 B15R2.627 CC(=O)C1=CNc2ccccc2C1=O Amb21913726 [0,1,0,0,0,0|1,0,0]=2 499 B15R2.627 CC(=O)C1CCc2ccccc2C1=O Amb2612989 [0,1,0,0,0,0|0,0,3]=4 500 B15R2.627 CC(=O)C1COc2ccccc2C1=O Amb26513582 [0,1,0,0,0,0|1,0,2]=4 501 B15R2.627 CC(=O)N1C=Nc2ccccc2C1=O Amb27783540 [0,1,0,0,0,0|2,0,0]=3 502 B15R2.627 CC(=O)c1ccc2c(c1O)C=CCO2 Amb27260502 [0,1,0,0,0,0|1,0,1]=3 503 B15R2.627 CC(=O)c1ccc2ccccc2c1I Amb32719881 [0,1,0,0,0,0|0,0,0]=1 504 B15R2.627 CC(=O)c1ccc2ccccc2c1N Amb25765176 [0,1,0,0,0,0|0,0,0]=1 505 B15R2.627 CC(=O)c1ccc2ccccc2c1O Amb1804666 [0,1,0,0,0,0|0,0,0]=1 506 B15R2.627 CC(=O)c1cnc2ccccc2c1C Amb26589941 [0,1,0,0,0,0|1,0,0]=2 507 B15R2.627 CC(=O)c1cnc2ccccc2c1N Amb28397911 [0,1,0,0,0,0|1,0,0]=2 508 B15R2.627 CC(C)N1C=Cc2ccccc2C1=O Amb19127188 [0,1,0,0,0,0|2,0,1]=4 509 B15R2.627 CC(C)c1ccc2cccnc2c1N Amb22899682 [0,1,0,0,0,0|2,0,1]=4 510 B15R2.627 CC(C)c1ccc2cccnc2c1O Amb28061463 [0,1,0,0,0,0|2,0,1]=4 511 B15R2.627 CC(N)c1ccc2ccccc2c1Br Amb27467629 [0,1,0,0,0,0|1,0,1]=3 512 B15R2.627 CC(O)c1ccc2ccccc2c1O Amb1110590 [0,1,0,0,0,0|0,0,2]=3 513 B15R2.627 CC(O)c1cnc2ccccc2c1Cl Amb27604328 [0,1,0,0,0,0|1,0,2]=4 514 B15R2.627 CC(O)c1cnc2ccccc2c1O Amb24120157 [0,1,0,0,0,0|1,0,2]=4 515 B15R2.627 CC(S)c1ccc2ccccc2c1O Amb7784709 [0,1,0,0,0,0|0,1,1]=3 516 B15R2.627 CC1=C(C(=O)O)CCc2ccccc21 Amb18649895 [0,1,0,0,0,0|1,0,2]=4 517 B15R2.627 CN(C)c1ccc2cnccc2c1N Amb27260697 [0,1,0,0,0,0|3,0,0]=4 518 B15R2.627 C[C@@H](N)c1ccc2ccccc2c1F Amb27762690 [0,1,0,0,0,0|1,0,1]=3 519 B15R2.627 C[C@H](N)c1ccc2ccccc2c1Br Amb27172074 [0,1,0,0,0,0|1,0,1]=3 520 B15R2.627 C[n+]1c(C(=O)[O-])ccc2ccccc21 Amb27252146 [0,1,0,0,0,0|2,0,0]=3 521 B15R2.627 C\C(N)=C1\C=Cc2ccccc2C1=O Amb28071142 [0,1,0,0,0,0|1,0,0]=2 522 B15R2.627 C\C(N)=C1\CCc2ccccc2C1=O Amb27986067 [0,1,0,0,0,0|1,0,2]=4 523 B15R2.627 Cc1c(B(O)O)ccc2ccccc12 Amb21929216 [0,1,0,0,0,0|2,0,1]=4 524 B15R2.627 Cc1c(C(=O)Cl)ccc2ccccc12 Amb24436049 [0,1,0,0,0,0|1,0,0]=2 525 B15R2.627 Cc1c(C(=O)O)ccc2ccccc12 Amb17778340 [0,1,0,0,0,0|1,0,0]=2 526 B15R2.627 Cc1c(C(=O)O)cnc2ccccc12 Amb20622350 [0,1,0,0,0,0|2,0,0]=3 527 B15R2.627 Cc1c(C(C)C)cnc2ccccc12 Amb27796509 [0,1,0,0,0,0|2,0,1]=4 528 B15R2.627 Cc1c(C(F)F)ccc2ccccc12 Amb25117097 [0,1,0,0,0,0|2,0,1]=4 529 B15R2.627 Cc1c([N+](=O)[O-])ccc2ccccc12 Amb26490533 [0,1,0,0,0,0|2,0,0]=3 530 B15R2.627 Cc1c([N+](=O)[O-])ccc2cccnc12 Amb1116589 [0,1,0,0,0,0|3,0,0]=4 531 B15R2.627 Cc1c([N+](=O)[O-])ccc2ncccc12 Amb22753381 [0,1,0,0,0,0|3,0,0]=4 532 B15R2.627 Cc1c([N+](=O)[O-])cnc2ccccc12 Amb22753380 [0,1,0,0,0,0|3,0,0]=4 533 B15R2.627 FC(F)c1ccc2ccccc2c1Br Amb25068947 [0,1,0,0,0,0|2,0,1]=4 534 B15R2.627 FC(F)c1ccc2ccccc2c1Cl Amb26924200 [0,1,0,0,0,0|2,0,1]=4 535 B15R2.627 FC(F)c1ccc2ccccc2c1I Amb26594298 [0,1,0,0,0,0|2,0,1]=4 536 B15R2.627 Fc1c(C(F)F)ccc2ccccc12 Amb25167663 [0,1,0,0,0,0|2,0,1]=4 537 B15R2.627 N=C(N)C1=COc2ccccc2C1=O Amb28120575 [0,1,0,0,0,0|3,0,0]=4 538 B15R2.627 NC(=O)C1=C(N)c2ccccc2CC1 Amb27631456 [0,1,0,0,0,0|1,0,2]=4 539 B15R2.627 NC(=O)C1=CNc2ccccc2C1=O Amb33551808 [0,1,0,0,0,0|2,0,0]=3 540 B15R2.627 NC(=O)C1=COc2ccccc2C1=O Amb28119920 [0,1,0,0,0,0|2,0,0]=3 541 B15R2.627 NC(=O)c1ccc2ccccc2c1O Amb6671845 [0,1,0,0,0,0|1,0,0]=2 542 B15R2.627 NC(=O)c1cnc2ccccc2c1Cl Amb22497990 [0,1,0,0,0,0|2,0,0]=3 543 B15R2.627 NC(=O)c1cnc2ccccc2c1N Amb27239918 [0,1,0,0,0,0|2,0,0]=3 544 B15R2.627 NC(=O)c1nnc2ccccc2c1N Amb2744147 [0,1,0,0,0,0|3,0,0]=4 545 B15R2.627 NC(=O)c1nnc2ccccc2c1S Amb28074067 [0,1,0,0,0,0|3,0,0]=4 546 B15R2.627 Nc1c(B(O)O)ccc2ccccc12 Amb28145913 [0,1,0,0,0,0|2,0,1]=4 547 B15R2.627 Nc1c(C(=O)Cl)ccc2ccccc12 Amb25696558 [0,1,0,0,0,0|1,0,0]=2 548 B15R2.627 Nc1c(C(=O)O)ccc2ccccc12 Amb7784297 [0,1,0,0,0,0|1,0,0]=2 549 B15R2.627 Nc1c(C(=O)O)ccc2cccnc12 Amb7784323 [0,1,0,0,0,0|2,0,0]=3 550 B15R2.627 Nc1c(C(=O)O)ccc2ccncc12 Amb27644936 [0,1,0,0,0,0|2,0,0]=3 551 B15R2.627 Nc1c(C(=O)O)cnc2ccccc12 Amb7094225 [0,1,0,0,0,0|2,0,0]=3 552 B15R2.627 Nc1c(C(=O)O)ncc2ccccc12 Amb24466390 [0,1,0,0,0,0|2,0,0]=3 553 B15R2.627 Nc1c(C(=O)O)nnc2ccccc12 Amb18820609 [0,1,0,0,0,0|3,0,0]=4 554 B15R2.627 Nc1c(C(F)F)ccc2ccccc12 Amb24513858 [0,1,0,0,0,0|2,0,1]=4 555 B15R2.627 Nc1c([N+](=O)[O-])ccc2ccccc12 Amb4409666 [0,1,0,0,0,0|2,0,0]=3 556 B15R2.627 Nc1c([N+](=O)[O-])ccc2ncccc12 Amb1395881 [0,1,0,0,0,0|3,0,0]=4 557 B15R2.627 Nc1c([N+](=O)[O-])cnc2ccccc12 Amb2697266 [0,1,0,0,0,0|3,0,0]=4 558 B15R2.627 O=C(Cl)C1=CNc2ccccc2C1=O Amb25756009 [0,1,0,0,0,0|2,0,0]=3 559 B15R2.627 O=C(Cl)c1ccc2ccccc2c1Cl Amb26505164 [0,1,0,0,0,0|1,0,0]=2 560 B15R2.627 O=C(Cl)c1ccc2ccccc2c1O Amb6743393 [0,1,0,0,0,0|1,0,0]=2 561 B15R2.627 O=C(Cl)c1ccc2cccnc2c1O Amb27828529 [0,1,0,0,0,0|2,0,0]=3 562 B15R2.627 O=C(Cl)c1ccc2ncccc2c1O Amb26645254 [0,1,0,0,0,0|2,0,0]=3 563 B15R2.627 O=C(O)C1=CC=C2C=CC=CN2C1=O Amb18061848 [0,1,0,0,0,0|2,0,0]=3 564 B15R2.627 O=C(O)C1=CN=C2C=CC=CN2C1=O Amb18035152 [0,1,0,0,0,0|3,0,0]=4 565 B15R2.627 O=C(O)C1=CN=C2C=CC=CN2C1=O Amb19372657 [0,1,0,0,0,0|3,0,0]=4 566 B15R2.627 O=C(O)C1=CN=C2C=CC=CN2C1=O Amb21894991 [0,1,0,0,0,0|3,0,0]=4 567 B15R2.627 O=C(O)C1=CNc2ccccc2C1=O Amb18012728 [0,1,0,0,0,0|2,0,0]=3 568 B15R2.627 O=C(O)C1=CNc2cccnc2C1=O Amb18650328 [0,1,0,0,0,0|3,0,0]=4 569 B15R2.627 O=C(O)C1=CNc2ncccc2C1=O Amb18819829 [0,1,0,0,0,0|3,0,0]=4 570 B15R2.627 O=C(O)C1=COc2ccccc2C1=O Amb19078127 [0,1,0,0,0,0|2,0,0]=3 571 B15R2.627 O=C(O)C1=COc2ccccc2C1O Amb27213020 [0,1,0,0,0,0|2,0,1]=4 572 B15R2.627 O=C(O)C1=CSc2ncccc2C1=O Amb24330518 [0,1,0,0,0,0|3,0,0]=4 573 B15R2.627 O=C(O)C1=NNc2ccccc2C1=O Amb18650330 [0,1,0,0,0,0|3,0,0]=4 574 B15R2.627 O=C(O)c1ccc2ccccc2c1Br Amb2747997 [0,1,0,0,0,0|1,0,0]=2 575 B15R2.627 O=C(O)c1ccc2ccccc2c1F Amb22547099 [0,1,0,0,0,0|1,0,0]=2 576 B15R2.627 O=C(O)c1ccc2ccccc2c1I Amb25994147 [0,1,0,0,0,0|1,0,0]=2 577 B15R2.627 O=C(O)c1ccc2ccccc2c1O Amb1211923 [0,1,0,0,0,0|1,0,0]=2 578 B15R2.627 O=C(O)c1ccc2ccccc2c1S Amb24733955 [0,1,0,0,0,0|1,0,0]=2 579 B15R2.627 O=C(O)c1ccc2cccnc2c1Br Amb23441935 [0,1,0,0,0,0|2,0,0]=3 580 B15R2.627 O=C(O)c1ccc2cccnc2c1O Amb10603943 [0,1,0,0,0,0|2,0,0]=3 581 B15R2.627 O=C(O)c1ccc2cnccc2c1O Amb24336790 [0,1,0,0,0,0|2,0,0]=3 582 B15R2.627 O=C(O)c1ccc2ncccc2c1Cl Amb24374526 [0,1,0,0,0,0|2,0,0]=3 583 B15R2.627 O=C(O)c1ccc2ncccc2c1F Amb26510956 [0,1,0,0,0,0|2,0,0]=3 584 B15R2.627 O=C(O)c1ccc2ncccc2c1O Amb26979717 [0,1,0,0,0,0|2,0,0]=3 585 B15R2.627 O=C(O)c1ccc2nccnc2c1Br Amb27398952 [0,1,0,0,0,0|3,0,0]=4 586 B15R2.627 O=C(O)c1ccc2nccnc2c1O Amb27843715 [0,1,0,0,0,0|3,0,0]=4 587 B15R2.627 O=C(O)c1cnc2ccccc2c1Br Amb22276938 [0,1,0,0,0,0|2,0,0]=3 588 B15R2.627 O=C(O)c1cnc2ccccc2c1Cl Amb20248151 [0,1,0,0,0,0|2,0,0]=3 589 B15R2.627 O=C(O)c1cnc2ccccc2c1O Amb1994675 [0,1,0,0,0,0|2,0,0]=3 590 B15R2.627 O=C(O)c1cnc2ccncc2c1Br Amb32418922 [0,1,0,0,0,0|3,0,0]=4 591 B15R2.627 O=C(O)c1ncc2ccccc2c1O Amb18650064 [0,1,0,0,0,0|2,0,0]=3 592 B15R2.627 O=C(O)c1ncc2cccnc2c1O Amb27471749 [0,1,0,0,0,0|3,0,0]=4 593 B15R2.627 O=C(O)c1ncc2ncccc2c1Br Amb7101484 [0,1,0,0,0,0|3,0,0]=4 594 B15R2.627 O=C(O)c1ncc2ncccc2c1O Amb18650325 [0,1,0,0,0,0|3,0,0]=4 595 B15R2.627 O=C(O)c1nnc2ccccc2c1Cl Amb28401395 [0,1,0,0,0,0|3,0,0]=4 596 B15R2.627 O=C([O-])C1=COc2ccccc2C1=O Amb33513231 [0,1,0,0,0,0|2,0,0]=3 597 B15R2.627 O=C([O-])c1cnc2ccccc2c1Br Amb33620629 [0,1,0,0,0,0|2,0,0]=3 598 B15R2.627 O=C([O-])c1cnc2ccccc2c1Cl Amb33328829 [0,1,0,0,0,0|2,0,0]=3 599 B15R2.627 O=C1C(=C(O)O)N=Cc2ccccc21 Amb27254347 [0,1,0,0,0,0|2,0,1]=4 600 B15R2.627 O=C1C([N+](=O)[O-])=CNc2ccccc21 Amb19650741 [0,1,0,0,0,0|3,0,0]=4 601 B15R2.627 O=N(=O)c1ccc2ccccc2c1O Amb6357462 [0,1,0,0,0,0|2,0,0]=3 602 B15R2.627 O=N(=O)c1cnc2ccccc2c1Cl Amb20620830 [0,1,0,0,0,0|3,0,0]=4 603 B15R2.627 O=S([O-])c1ccc2ccccc2c1Br Amb32755006 [0,1,0,0,0,0|2,0,0]=3 604 B15R2.627 O=S([O-])c1ccc2ccccc2c1F Amb32755398 [0,1,0,0,0,0|2,0,0]=3 605 B15R2.627 O=S([O-])c1cnc2ccccc2c1Cl Amb32754687 [0,1,0,0,0,0|3,0,0]=4 606 B15R2.627 O=[N+]([O-])c1ccc2ccccc2c1Br Amb4014723 [0,1,0,0,0,0|2,0,0]=3 607 B15R2.627 O=[N+]([O-])c1ccc2ccccc2c1F Amb22497544 [0,1,0,0,0,0|2,0,0]=3 608 B15R2.627 O=[N+]([O-])c1ccc2ccccc2c1O Amb2137065 [0,1,0,0,0,0|2,0,0]=3 609 B15R2.627 O=[N+]([O-])c1ccc2cccnc2c1O Amb23592263 [0,1,0,0,0,0|3,0,0]=4 610 B15R2.627 O=[N+]([O-])c1ccc2ncccc2c1Cl Amb26619563 [0,1,0,0,0,0|3,0,0]=4 611 B15R2.627 O=[N+]([O-])c1ccc2ncccc2c1I Amb2842948 [0,1,0,0,0,0|3,0,0]=4 612 B15R2.627 O=[N+]([O-])c1ccc2ncccc2c1O Amb19957340 [0,1,0,0,0,0|3,0,0]=4 613 B15R2.627 O=[N+]([O-])c1cnc2ccccc2c1Br Amb26648004 [0,1,0,0,0,0|3,0,0]=4 614 B15R2.627 O=[N+]([O-])c1cnc2ccccc2c1Cl Amb2697275 [0,1,0,0,0,0|3,0,0]=4 615 B15R2.627 O=[N+]([O-])c1cnc2ccccc2c1F Amb35642420 [0,1,0,0,0,0|3,0,0]=4 616 B15R2.627 O=[N+]([O-])c1cnc2ccccc2c1O Amb2697279 [0,1,0,0,0,0|3,0,0]=4 617 B15R2.627 O=[N+]([O-])c1ncc2ccccc2c1Cl Amb27848617 [0,1,0,0,0,0|3,0,0]=4 618 B15R2.627 OB(O)c1ccc2ccccc2c1Cl Amb27402489 [0,1,0,0,0,0|2,0,1]=4 619 B15R2.627 OB(O)c1ccc2ccccc2c1F Amb25374011 [0,1,0,0,0,0|2,0,1]=4 620 B15R2.627 OB(O)c1ccc2ccccc2c1O Amb24348151 [0,1,0,0,0,0|2,0,1]=4 621 B15R2.627 Oc1c(C(F)F)ccc2ccccc12 Amb25875109 [0,1,0,0,0,0|2,0,1]=4 622 B15R2.984 C=C(C)c1cc2ccccc2cc1N Amb28129756 [0,1,0,0,0,0|1,0,0]=2 623 B15R2.984 C=C(C)c1cc2ccccc2cc1O Amb27612758 [0,1,0,0,0,0|1,0,0]=2 624 B15R2.984 C=C(Cl)c1nc2ccccc2cc1Br Amb28252487 [0,1,0,0,0,0|2,0,1]=4 625 B15R2.984 CC(=O)C1=C(C)Nc2ccccc2S1 Amb6358222 [0,1,0,0,0,0|2,0,0]=3 626 B15R2.984 CC(=O)C1=CC2=CNC=CC2=NC1=O Amb28144610 [0,1,0,0,0,0|2,0,0]=3 627 B15R2.984 CC(=O)C1=Cc2ccccc2OC1=O Amb18364021 [0,1,0,0,0,0|1,0,0]=2 628 B15R2.984 CC(=O)C1=Cc2ccccc2OC1=S Amb28192329 [0,1,0,0,0,0|1,0,0]=2 629 B15R2.984 CC(=O)C1=Cc2cnccc2NC1=O Amb19882339 [0,1,0,0,0,0|2,0,0]=3 630 B15R2.984 CC(=O)C1Sc2ccccc2NC1=O Amb27240566 [0,1,0,0,0,0|2,0,1]=4 631 B15R2.984 CC(=O)c1cc2ccccc2cc1N Amb18129530 [0,1,0,0,0,0|0,0,0]=1 632 B15R2.984 CC(=O)c1cc2ccccc2cc1O Amb18129613 [0,1,0,0,0,0|0,0,0]=1 633 B15R2.984 CC(=O)c1cc2ccccc2nc1C Amb25703558 [0,1,0,0,0,0|1,0,0]=2 634 B15R2.984 CC(=O)c1cc2ccccc2nc1Cl Amb5755987 [0,1,0,0,0,0|1,0,0]=2 635 B15R2.984 CC(=O)c1cc2ccccc2nc1I Amb27200705 [0,1,0,0,0,0|1,0,0]=2 636 B15R2.984 CC(=O)c1cc2ccccc2nc1N Amb24453452 [0,1,0,0,0,0|1,0,0]=2 637 B15R2.984 CC(=O)c1cc2ccccc2nc1O Amb22396163 [0,1,0,0,0,0|1,0,0]=2 638 B15R2.984 CC(=O)c1cc2cnccc2nc1C Amb2691471 [0,1,0,0,0,0|2,0,0]=3 639 B15R2.984 CC(=O)c1cc2ncccc2nc1C Amb27871382 [0,1,0,0,0,0|2,0,0]=3 640 B15R2.984 CC(=O)c1nc2ccccc2cc1C Amb22498218 [0,1,0,0,0,0|1,0,0]=2 641 B15R2.984 CC(=O)c1nc2ccccc2nc1C Amb9828127 [0,1,0,0,0,0|2,0,0]=3 642 B15R2.984 CC(=O)c1nc2ncccc2nc1C Amb27802839 [0,1,0,0,0,0|3,0,0]=4 643 B15R2.984 CC(C)c1cc2ccccc2cc1Br Amb32650453 [0,1,0,0,0,0|1,0,1]=3 644 B15R2.984 CC(C)c1cc2ccccc2cc1Cl Amb32650452 [0,1,0,0,0,0|1,0,1]=3 645 B15R2.984 CC(C)c1cc2ccccc2cc1O Amb26427127 [0,1,0,0,0,0|1,0,1]=3 646 B15R2.984 CC(C)c1cc2ccccc2nc1Br Amb17160816 [0,1,0,0,0,0|2,0,1]=4 647 B15R2.984 CC(C)c1nc2ccccc2cc1O Amb25957737 [0,1,0,0,0,0|2,0,1]=4 648 B15R2.984 CC(N)c1cc2ccccc2cc1Br Amb27600177 [0,1,0,0,0,0|1,0,1]=3 649 B15R2.984 CC(N)c1cc2ccccc2cc1Cl Amb26897441 [0,1,0,0,0,0|1,0,1]=3 650 B15R2.984 CC(N)c1cc2ccccc2cc1F Amb25687613 [0,1,0,0,0,0|1,0,1]=3 651 B15R2.984 CC(N)c1cc2ccccc2cc1O Amb27258057 [0,1,0,0,0,0|1,0,1]=3 652 B15R2.984 CC(N)c1cc2ccccc2nc1Cl Amb26424946 [0,1,0,0,0,0|2,0,1]=4 653 B15R2.984 CC(N)c1cc2cccnc2cc1F Amb27965464 [0,1,0,0,0,0|2,0,1]=4 654 B15R2.984 CC(N)c1cc2cccnc2cc1O Amb27873423 [0,1,0,0,0,0|2,0,1]=4 655 B15R2.984 CC(N)c1nc2ccccc2cc1Br Amb27641521 [0,1,0,0,0,0|2,0,1]=4 656 B15R2.984 CC(N)c1nc2ccccc2cc1N Amb27387964 [0,1,0,0,0,0|2,0,1]=4 657 B15R2.984 CC(O)C1=Cc2ccccc2NC1=O Amb18015645 [0,1,0,0,0,0|1,0,2]=4 658 B15R2.984 CC(O)c1cc2ccccc2cc1N Amb29875242 [0,1,0,0,0,0|0,0,2]=3 659 B15R2.984 CC(O)c1cc2ccccc2cc1O Amb27793840 [0,1,0,0,0,0|0,0,2]=3 660 B15R2.984 CC(O)c1cc2ccccc2nc1Cl Amb5755950 [0,1,0,0,0,0|1,0,2]=4 661 B15R2.984 CC(O)c1cc2cccnc2cc1F Amb27980442 [0,1,0,0,0,0|1,0,2]=4 662 B15R2.984 CC(O)c1nc2ccccc2cc1O Amb24403904 [0,1,0,0,0,0|1,0,2]=4 663 B15R2.984 CC1=C(C(=O)O)Cc2ccccc2O1 Amb19148851 [0,1,0,0,0,0|2,0,1]=4 664 B15R2.984 CC1=C(C(=O)O)Oc2ccccc2O1 Amb27758585 [0,1,0,0,0,0|3,0,0]=4 665 B15R2.984 CC1=C(C(=O)O)Sc2ccccc2N1 Amb845511 [0,1,0,0,0,0|3,0,0]=4 666 B15R2.984 CC1Oc2ccccc2C=C1C(=O)O Amb24331389 [0,1,0,0,0,0|2,0,1]=4 667 B15R2.984 CN(C)C1=Cc2ccccc2OC1=O Amb27849225 [0,1,0,0,0,0|3,0,0]=4 668 B15R2.984 C[C@@H](N)c1cc2ccccc2cc1Br Amb27395779 [0,1,0,0,0,0|1,0,1]=3 669 B15R2.984 C[C@@H](N)c1cc2ccccc2cc1N Amb27259030 [0,1,0,0,0,0|1,0,1]=3 670 B15R2.984 C[C@@H](N)c1cc2ccccc2nc1Cl Amb27419584 [0,1,0,0,0,0|2,0,1]=4 671 B15R2.984 C[C@@H](O)c1cc2ccccc2nc1Cl Amb33058649 [0,1,0,0,0,0|1,0,2]=4 672 B15R2.984 C[C@H](N)c1cc2ccccc2cc1N Amb27644641 [0,1,0,0,0,0|1,0,1]=3 673 B15R2.984 C[C@H](N)c1cc2ccccc2cc1O Amb27263665 [0,1,0,0,0,0|1,0,1]=3 674 B15R2.984 C[C@H](N)c1cc2ccccc2nc1Cl Amb25732594 [0,1,0,0,0,0|2,0,1]=4 675 B15R2.984 C[C@H](N)c1cc2cccnc2cc1O Amb27263406 [0,1,0,0,0,0|2,0,1]=4 676 B15R2.984 C[C@H](O)c1cc2ccccc2nc1Cl Amb33058652 [0,1,0,0,0,0|1,0,2]=4 677 B15R2.984 C[C@H](O)c1nc2ccccc2cc1Br Amb27663836 [0,1,0,0,0,0|1,0,2]=4 678 B15R2.984 C[n+]1cc2ccccc2cc1C(=O)[O-] Amb26641795 [0,1,0,0,0,0|2,0,0]=3 679 B15R2.984 Cc1cc2ccccc2cc1B(O)O Amb27155635 [0,1,0,0,0,0|2,0,1]=4 680 B15R2.984 Cc1cc2ccccc2cc1C(=O)Cl Amb27390033 [0,1,0,0,0,0|1,0,0]=2 681 B15R2.984 Cc1cc2ccccc2cc1C(=O)O Amb10844302 [0,1,0,0,0,0|1,0,0]=2 682 B15R2.984 Cc1cc2ccccc2cc1C(C)N Amb27399771 [0,1,0,0,0,0|1,0,1]=3 683 B15R2.984 Cc1cc2ccccc2nc1C(=O)O Amb18649515 [0,1,0,0,0,0|2,0,0]=3 684 B15R2.984 Cc1cc2ccccc2nc1C(=O)O Amb30349337 [0,1,0,0,0,0|2,0,0]=3 685 B15R2.984 Cc1cc2ccccc2nc1C(C)Br Amb27255295 [0,1,0,0,0,0|2,0,1]=4 686 B15R2.984 Cc1cc2ccccc2nc1C(N)=O Amb22498478 [0,1,0,0,0,0|2,0,0]=3 687 B15R2.984 Cc1cc2ccccc2nc1N(C)N Amb27803944 [0,1,0,0,0,0|3,0,0]=4 688 B15R2.984 Cc1cc2cccnc2nc1C(=O)O Amb32668048 [0,1,0,0,0,0|3,0,0]=4 689 B15R2.984 Cc1cc2ccncc2nc1C(=O)O Amb32668057 [0,1,0,0,0,0|3,0,0]=4 690 B15R2.984 Cc1cc2cnccc2nc1C(=O)O Amb8011460 [0,1,0,0,0,0|3,0,0]=4 691 B15R2.984 Cc1cc2ncccc2cc1[N+](=O)[O-] Amb4034952 [0,1,0,0,0,0|3,0,0]=4 692 B15R2.984 Cc1cc2nccnc2cc1C(=O)O Amb24739752 [0,1,0,0,0,0|3,0,0]=4 693 B15R2.984 Cc1nc2ccccc2cc1C(=O)O Amb1107297 [0,1,0,0,0,0|2,0,0]=3 694 B15R2.984 Cc1nc2ccccc2cc1C(=O)O Amb82078 [0,1,0,0,0,0|2,0,0]=3 695 B15R2.984 Cc1nc2ccccc2cc1C(N)=O Amb547839 [0,1,0,0,0,0|2,0,0]=3 696 B15R2.984 Cc1nc2ccccc2nc1C(=O)O Amb5501637 [0,1,0,0,0,0|3,0,0]=4 697 B15R2.984 Cc1nc2ccccc2nc1C(N)=O Amb20265895 [0,1,0,0,0,0|3,0,0]=4 698 B15R2.984 Cc1nc2ccncc2cc1C(=O)O Amb2691475 [0,1,0,0,0,0|3,0,0]=4 699 B15R2.984 Cc1nc2ccncc2cc1C(N)=O Amb28254653 [0,1,0,0,0,0|3,0,0]=4 700 B15R2.984 Cc1nc2ncccc2cc1C(=O)O Amb10071253 [0,1,0,0,0,0|3,0,0]=4 701 B15R2.984 Cc1nc2ncccc2cc1C(=O)O Amb2691467 [0,1,0,0,0,0|3,0,0]=4 702 B15R2.984 FC(F)c1cc2ccccc2cc1Br Amb27462164 [0,1,0,0,0,0|2,0,1]=4 703 B15R2.984 FC(F)c1cc2ccccc2cc1Cl Amb24336095 [0,1,0,0,0,0|2,0,1]=4 704 B15R2.984 Fc1cc2ccccc2cc1C(F)F Amb26507971 [0,1,0,0,0,0|2,0,1]=4 705 B15R2.984 N=C(N)c1cc2ccccc2cc1O Amb27653971 [0,1,0,0,0,0|2,0,0]=3 706 B15R2.984 N=C(N)c1cc2ccccc2nc1Cl Amb33057637 [0,1,0,0,0,0|3,0,0]=4 707 B15R2.984 N=C(N)c1cc2ccccc2nc1N Amb27750585 [0,1,0,0,0,0|3,0,0]=4 708 B15R2.984 N=C(N)c1cc2ccccc2oc1=O Amb4135450 [0,1,0,0,0,0|3,0,0]=4 709 B15R2.984 N=C1Oc2ccccc2C=C1C(N)=O Amb19751870 [0,1,0,0,0,0|2,0,0]=3 710 B15R2.984 N=C1Oc2ccccc2C=C1C(N)=S Amb21862611 [0,1,0,0,0,0|2,1,0]=4 711 B15R2.984 N=C1Sc2ccccc2C=C1C(N)=S Amb27405346 [0,1,0,0,0,0|2,1,0]=4 712 B15R2.984 NC(=O)C1=Cc2ccccc2OC1=O Amb19186060 [0,1,0,0,0,0|2,0,0]=3 713 B15R2.984 NC(=O)C1=Nc2ccccc2NC1=O Amb20465774 [0,1,0,0,0,0|3,0,0]=4 714 B15R2.984 NC(=O)c1cc2ccccc2cc1F Amb28141892 [0,1,0,0,0,0|1,0,0]=2 715 B15R2.984 NC(=O)c1cc2ccccc2cc1N Amb18944638 [0,1,0,0,0,0|1,0,0]=2 716 B15R2.984 NC(=O)c1cc2ccccc2cc1O Amb3941049 [0,1,0,0,0,0|1,0,0]=2 717 B15R2.984 NC(=O)c1cc2ccccc2nc1Cl Amb24065586 [0,1,0,0,0,0|2,0,0]=3 718 B15R2.984 NC(=O)c1cc2ccccc2nc1N Amb6315603 [0,1,0,0,0,0|2,0,0]=3 719 B15R2.984 NC(=O)c1cc2cccnc2nc1O Amb18650091 [0,1,0,0,0,0|3,0,0]=4 720 B15R2.984 NC(=O)c1cc2ccncc2nc1N Amb18649801 [0,1,0,0,0,0|3,0,0]=4 721 B15R2.984 NC(=O)c1cc2cnccc2cc1O Amb27240233 [0,1,0,0,0,0|2,0,0]=3 722 B15R2.984 NC(=O)c1cc2cnccc2nc1O Amb28062977 [0,1,0,0,0,0|3,0,0]=4 723 B15R2.984 NC(=O)c1cc2ncccc2nc1Cl Amb27169451 [0,1,0,0,0,0|3,0,0]=4 724 B15R2.984 NC(=O)c1cc2ncccc2nc1N Amb18649802 [0,1,0,0,0,0|3,0,0]=4 725 B15R2.984 NC(=O)c1nc2ccccc2cc1N Amb23400354 [0,1,0,0,0,0|2,0,0]=3 726 B15R2.984 NC(=O)c1nc2ccccc2nc1Cl Amb27189071 [0,1,0,0,0,0|3,0,0]=4 727 B15R2.984 NC(=O)c1nc2ccccc2nc1N Amb2609365 [0,1,0,0,0,0|3,0,0]=4 728 B15R2.984 NC(=S)C1=Cc2ccccc2OC1=O Amb18108354 [0,1,0,0,0,0|2,1,0]=4 729 B15R2.984 NC(=S)c1cc2ccccc2nc1Cl Amb33057632 [0,1,0,0,0,0|2,1,0]=4 730 B15R2.984 NC(=S)c1cc2ccccc2nc1N Amb28061194 [0,1,0,0,0,0|2,1,0]=4 731 B15R2.984 Nc1cc2ccccc2cc1B(O)O Amb27611793 [0,1,0,0,0,0|2,0,1]=4 732 B15R2.984 Nc1cc2ccccc2cc1C(=O)Cl Amb28254245 [0,1,0,0,0,0|1,0,0]=2 733 B15R2.984 Nc1cc2ccccc2cc1C(=O)O Amb1207395 [0,1,0,0,0,0|1,0,0]=2 734 B15R2.984 Nc1cc2ccccc2cc1C(F)F Amb27862485 [0,1,0,0,0,0|2,0,1]=4 735 B15R2.984 Nc1cc2ccccc2cc1[N+](=O)[O-] Amb8439110 [0,1,0,0,0,0|2,0,0]=3 736 B15R2.984 Nc1cc2ccccc2nc1C(=O)O Amb23401877 [0,1,0,0,0,0|2,0,0]=3 737 B15R2.984 Nc1cc2cccnc2nc1C(=O)O Amb34913283 [0,1,0,0,0,0|3,0,0]=4 738 B15R2.984 Nc1cc2ncccc2cc1[N+](=O)[O-] Amb27967098 [0,1,0,0,0,0|3,0,0]=4 739 B15R2.984 Nc1cc2nccnc2cc1C(=O)O Amb18820577 [0,1,0,0,0,0|3,0,0]=4 740 B15R2.984 Nc1nc2ccccc2cc1C(=O)O Amb17777636 [0,1,0,0,0,0|2,0,0]=3 741 B15R2.984 Nc1nc2ccccc2cc1C(=O)[O-] Amb17777637 [0,1,0,0,0,0|2,0,0]=3 742 B15R2.984 Nc1nc2ccccc2cc1[N+](=O)[O-] Amb5751212 [0,1,0,0,0,0|3,0,0]=4 743 B15R2.984 Nc1nc2ccccc2nc1C(=O)O Amb18650089 [0,1,0,0,0,0|3,0,0]=4 744 B15R2.984 Nc1nc2ccncc2cc1C(=O)O Amb27975432 [0,1,0,0,0,0|3,0,0]=4 745 B15R2.984 Nc1nc2ncccc2cc1C(=O)O Amb18650088 [0,1,0,0,0,0|3,0,0]=4 746 B15R2.984 O=C(Cl)C1=Cc2ccccc2NC1=O Amb26332443 [0,1,0,0,0,0|2,0,0]=3 747 B15R2.984 O=C(Cl)C1=Cc2ccccc2OC1=O Amb20246903 [0,1,0,0,0,0|2,0,0]=3 748 B15R2.984 O=C(Cl)c1cc2ccccc2cc1Br Amb27952281 [0,1,0,0,0,0|1,0,0]=2 749 B15R2.984 O=C(Cl)c1cc2ccccc2cc1F Amb24336383 [0,1,0,0,0,0|1,0,0]=2 750 B15R2.984 O=C(Cl)c1cc2ccccc2cc1I Amb25906033 [0,1,0,0,0,0|1,0,0]=2 751 B15R2.984 O=C(Cl)c1cc2ccccc2cc1O Amb17595532 [0,1,0,0,0,0|1,0,0]=2 752 B15R2.984 O=C(Cl)c1cc2ccccc2nc1Cl Amb2724873 [0,1,0,0,0,0|2,0,0]=3 753 B15R2.984 O=C(Cl)c1cc2cccnc2cc1O Amb25364028 [0,1,0,0,0,0|2,0,0]=3 754 B15R2.984 O=C(Cl)c1cc2ncccc2cc1O Amb24468316 [0,1,0,0,0,0|2,0,0]=3 755 B15R2.984 O=C(Cl)c1cc2nccnc2cc1Cl Amb23559623 [0,1,0,0,0,0|3,0,0]=4 756 B15R2.984 O=C(Cl)c1nc2ccccc2cc1O Amb27808978 [0,1,0,0,0,0|2,0,0]=3 757 B15R2.984 O=C(Cl)c1nc2ccccc2nc1Cl Amb27612208 [0,1,0,0,0,0|3,0,0]=4 758 B15R2.984 O=C(Cl)c1nc2ccccc2nc1O Amb25254894 [0,1,0,0,0,0|3,0,0]=4 759 B15R2.984 O=C(O)C1=CN2C=CC=CC2=CC1=O Amb27650693 [0,1,0,0,0,0|2,0,0]=3 760 B15R2.984 O=C(O)C1=Cc2ccccc2NC1=O Amb17933901 [0,1,0,0,0,0|2,0,0]=3 761 B15R2.984 O=C(O)C1=Cc2ccccc2OC1=O Amb17988932 [0,1,0,0,0,0|2,0,0]=3 762 B15R2.984 O=C(O)C1=Cc2ccccc2OC1=S Amb27401176 [0,1,0,0,0,0|2,0,0]=3 763 B15R2.984 O=C(O)C1=Cc2cccnc2NC1=O Amb18023998 [0,1,0,0,0,0|3,0,0]=4 764 B15R2.984 O=C(O)C1=Cc2ccncc2NC1=O Amb27403180 [0,1,0,0,0,0|3,0,0]=4 765 B15R2.984 O=C(O)C1=Cc2ccncc2OC1=O Amb18650693 [0,1,0,0,0,0|3,0,0]=4 766 B15R2.984 O=C(O)C1=Cc2cnccc2NC1=O Amb23440666 [0,1,0,0,0,0|3,0,0]=4 767 B15R2.984 O=C(O)C1=Nc2ccccc2NC1=O Amb19957530 [0,1,0,0,0,0|3,0,0]=4 768 B15R2.984 O=C(O)c1cc2ccccc2cc1Br Amb18667010 [0,1,0,0,0,0|1,0,0]=2 769 B15R2.984 O=C(O)c1cc2ccccc2cc1Cl Amb18130974 [0,1,0,0,0,0|1,0,0]=2 770 B15R2.984 O=C(O)c1cc2ccccc2cc1F Amb27160679 [0,1,0,0,0,0|1,0,0]=2 771 B15R2.984 O=C(O)c1cc2ccccc2cc1I Amb9677501 [0,1,0,0,0,0|1,0,0]=2 772 B15R2.984 O=C(O)c1cc2ccccc2cc1O Amb2714487 [0,1,0,0,0,0|1,0,0]=2 773 B15R2.984 O=C(O)c1cc2ccccc2cc1S Amb17595442 [0,1,0,0,0,0|1,0,0]=2 774 B15R2.984 O=C(O)c1cc2ccccc2nc1Br Amb25882734 [0,1,0,0,0,0|2,0,0]=3 775 B15R2.984 O=C(O)c1cc2ccccc2nc1Cl Amb1106612 [0,1,0,0,0,0|2,0,0]=3 776 B15R2.984 O=C(O)c1cc2ccccc2nc1O Amb17665422 [0,1,0,0,0,0|2,0,0]=3 777 B15R2.984 O=C(O)c1cc2ccccc2nc1S Amb22396122 [0,1,0,0,0,0|2,0,0]=3 778 B15R2.984 O=C(O)c1cc2cccnc2cc1Cl Amb27412424 [0,1,0,0,0,0|2,0,0]=3 779 B15R2.984 O=C(O)c1cc2cccnc2cc1F Amb27614309 [0,1,0,0,0,0|2,0,0]=3 780 B15R2.984 O=C(O)c1cc2cccnc2nc1Cl Amb26993912 [0,1,0,0,0,0|3,0,0]=4 781 B15R2.984 O=C(O)c1cc2cnccc2cc1F Amb35788373 [0,1,0,0,0,0|2,0,0]=3 782 B15R2.984 O=C(O)c1cc2ncccc2cc1Cl Amb35748157 [0,1,0,0,0,0|2,0,0]=3 783 B15R2.984 O=C(O)c1cc2ncccc2cc1Cl Amb35748184 [0,1,0,0,0,0|2,0,0]=3 784 B15R2.984 O=C(O)c1cc2ncccc2cc1O Amb23448900 [0,1,0,0,0,0|2,0,0]=3 785 B15R2.984 O=C(O)c1cc2nccnc2cc1F Amb24566007 [0,1,0,0,0,0|3,0,0]=4 786 B15R2.984 O=C(O)c1nc2ccccc2cc1Br Amb25732803 [0,1,0,0,0,0|2,0,0]=3 787 B15R2.984 O=C(O)c1nc2ccccc2cc1Cl Amb25183686 [0,1,0,0,0,0|2,0,0]=3 788 B15R2.984 O=C(O)c1nc2ccccc2cc1F Amb22547385 [0,1,0,0,0,0|2,0,0]=3 789 B15R2.984 O=C(O)c1nc2ccccc2cc1I Amb28245950 [0,1,0,0,0,0|2,0,0]=3 790 B15R2.984 O=C(O)c1nc2ccccc2cc1S Amb18655001 [0,1,0,0,0,0|2,0,0]=3 791 B15R2.984 O=C(O)c1nc2ccccc2nc1Cl Amb15701213 [0,1,0,0,0,0|3,0,0]=4 792 B15R2.984 O=C(O)c1nc2ccccc2nc1O Amb1076430 [0,1,0,0,0,0|3,0,0]=4 793 B15R2.984 O=C(O)c1nc2ncccc2cc1Br Amb2795055 [0,1,0,0,0,0|3,0,0]=4 794 B15R2.984 O=C([O-])c1cc2ccccc2cc1O Amb22547753 [0,1,0,0,0,0|1,0,0]=2 795 B15R2.984 O=C1Oc2ccccc2C=C1[N+](=O)[O-] Amb19665106 [0,1,0,0,0,0|3,0,0]=4 796 B15R2.984 O=[N+]([O-])c1cc2ccccc2cc1Br Amb8439062 [0,1,0,0,0,0|2,0,0]=3 797 B15R2.984 O=[N+]([O-])c1cc2ccccc2cc1I Amb21954251 [0,1,0,0,0,0|2,0,0]=3 798 B15R2.984 O=[N+]([O-])c1cc2ccccc2cc1O Amb28239713 [0,1,0,0,0,0|2,0,0]=3 799 B15R2.984 O=[N+]([O-])c1cc2ccccc2nc1Br Amb23580744 [0,1,0,0,0,0|3,0,0]=4 800 B15R2.984 O=[N+]([O-])c1cc2ccccc2nc1Cl Amb9768234 [0,1,0,0,0,0|3,0,0]=4 801 B15R2.984 O=[N+]([O-])c1cc2ccccc2nc1S Amb23440669 [0,1,0,0,0,0|3,0,0]=4 802 B15R2.984 O=[N+]([O-])c1cc2cccnc2cc1Br Amb27392083 [0,1,0,0,0,0|3,0,0]=4 803 B15R2.984 O=[N+]([O-])c1cc2cccnc2cc1Cl Amb24682604 [0,1,0,0,0,0|3,0,0]=4 804 B15R2.984 O=[N+]([O-])c1cc2cccnc2cc1O Amb27475621 [0,1,0,0,0,0|3,0,0]=4 805 B15R2.984 O=[N+]([O-])c1nc2ccccc2cc1O Amb9767543 [0,1,0,0,0,0|3,0,0]=4 806 B15R2.984 OB(O)c1cc2ccccc2cc1Br Amb28186920 [0,1,0,0,0,0|2,0,1]=4 807 B15R2.984 OB(O)c1cc2ccccc2cc1Cl Amb26868374 [0,1,0,0,0,0|2,0,1]=4 808 B15R2.984 OB(O)c1cc2ccccc2cc1O Amb20171354 [0,1,0,0,0,0|2,0,1]=4 809 B15R2.984 Oc1cc2ccccc2cc1C(F)F Amb25966014 [0,1,0,0,0,0|2,0,1]=4 810 B15R2.1601 C#CC(=O)c1ccc2cccnc2n1 Amb35655575 [0,1,0,0,0,0|2,0,1]=4 811 B15R2.1601 C#CC(=O)c1ccc2nccnc2c1 Amb27760080 [0,1,0,0,0,0|2,0,1]=4 812 B15R2.1601 C#CC(C)c1ccc2ccccc2c1 Amb33361945 [0,1,0,0,0,0|1,0,1]=3 813 B15R2.1601 C#CC(C)c1ccc2ccccc2n1 Amb33201372 [0,1,0,0,0,0|2,0,1]=4 814 B15R2.1601 C#CC(C)c1ccc2cccnc2c1 Amb32878869 [0,1,0,0,0,0|2,0,1]=4 815 B15R2.1601 C#CC(C)c1ccc2ncccc2c1 Amb33148690 [0,1,0,0,0,0|2,0,1]=4 816 B15R2.1601 C#CC(C)c1cnc2ccccc2c1 Amb33323980 [0,1,0,0,0,0|2,0,1]=4 817 B15R2.1601 C#CC(N)c1ccc2ccccc2c1 Amb23448717 [0,1,0,0,0,0|1,0,2]=4 818 B15R2.1601 C#CC(O)c1ccc2ccccc2c1 Amb26511200 [0,1,0,0,0,0|0,0,3]=4 819 B15R2.1601 C=C(CBr)c1ccc2ccccc2c1 Amb33451358 [0,1,0,0,0,0|1,0,0]=2 820 B15R2.1601 C=C(CBr)c1ccc2ccccc2n1 Amb33334259 [0,1,0,0,0,0|2,0,0]=3 821 B15R2.1601 C=C(CBr)c1ccc2cccnc2c1 Amb33433666 [0,1,0,0,0,0|2,0,0]=3 822 B15R2.1601 C=C(CBr)c1ccc2ncccc2c1 Amb33435511 [0,1,0,0,0,0|2,0,0]=3 823 B15R2.1601 C=C(CBr)c1cnc2ccccc2c1 Amb33433804 [0,1,0,0,0,0|2,0,0]=3 824 B15R2.1601 C=C(CBr)c1cnc2ccccc2n1 Amb33477467 [0,1,0,0,0,0|3,0,0]=4 825 B15R2.1601 C=C(CCl)c1ccc2ccccc2c1 Amb33052561 [0,1,0,0,0,0|1,0,0]=2 826 B15R2.1601 C=C(CCl)c1ccc2ccccc2n1 Amb33257912 [0,1,0,0,0,0|2,0,0]=3 827 B15R2.1601 C=C(CCl)c1ccc2cccnc2c1 Amb33222942 [0,1,0,0,0,0|2,0,0]=3 828 B15R2.1601 C=C(CCl)c1cnc2ccccc2n1 Amb33220518 [0,1,0,0,0,0|3,0,0]=4 829 B15R2.1601 C=C(CN)c1ccc2ccccc2c1 Amb33361942 [0,1,0,0,0,0|1,0,0]=2 830 B15R2.1601 C=C(CN)c1ccc2ccccc2n1 Amb33201366 [0,1,0,0,0,0|2,0,0]=3 831 B15R2.1601 C=C(CN)c1ccc2cccnc2c1 Amb32878861 [0,1,0,0,0,0|2,0,0]=3 832 B15R2.1601 C=C(CN)c1ccc2ncccc2c1 Amb33148685 [0,1,0,0,0,0|2,0,0]=3 833 B15R2.1601 C=C(CN)c1cnc2ccccc2c1 Amb33323970 [0,1,0,0,0,0|2,0,0]=3 834 B15R2.1601 C=C(CN)c1cnc2ccccc2n1 Amb33377310 [0,1,0,0,0,0|3,0,0]=4 835 B15R2.1601 C=C(CO)c1ccc2ccccc2c1 Amb28350200 [0,1,0,0,0,0|1,0,0]=2 836 B15R2.1601 C=CC(=O)c1ccc2ccccc2c1 Amb21856049 [0,1,0,0,0,0|0,0,1]=2 837 B15R2.1601 C=CC(=O)c1ccc2ccccc2n1 Amb26853011 [0,1,0,0,0,0|1,0,1]=3 838 B15R2.1601 C=CC(=O)c1ccc2cccnc2c1 Amb25112378 [0,1,0,0,0,0|1,0,1]=3 839 B15R2.1601 C=CC(=O)c1ccc2cccnc2n1 Amb35655576 [0,1,0,0,0,0|2,0,1]=4 840 B15R2.1601 C=CC(=O)c1ccc2cnccc2c1 Amb27450312 [0,1,0,0,0,0|1,0,1]=3 841 B15R2.1601 C=CC(=O)c1ccc2ncccc2c1 Amb24649491 [0,1,0,0,0,0|1,0,1]=3 842 B15R2.1601 C=CC(=O)c1ccc2nccnc2c1 Amb27747143 [0,1,0,0,0,0|2,0,1]=4 843 B15R2.1601 C=CC(=O)c1cnc2ccccc2c1 Amb27632542 [0,1,0,0,0,0|1,0,1]=3 844 B15R2.1601 C=CC(=O)c1cnc2ccccc2n1 Amb27662888 [0,1,0,0,0,0|2,0,1]=4 845 B15R2.1601 C=CC(O)c1ccc2ccccc2c1 Amb26854604 [0,1,0,0,0,0|0,0,3]=4 846 B15R2.1601 C=C[C@@H](O)c1ccc2ccccc2c1 Amb27835073 [0,1,0,0,0,0|0,0,3]=4 847 B15R2.1601 C=C[C@H](N)c1ccc2ccccc2c1 Amb27596065 [0,1,0,0,0,0|1,0,2]=4 848 B15R2.1601 CC(C#N)c1ccc2ccccc2c1 Amb8950024 [0,1,0,0,0,0|1,0,1]=3 849 B15R2.1601 CC(C#N)c1ccc2ccccc2n1 Amb33502665 [0,1,0,0,0,0|2,0,1]=4 850 B15R2.1601 CC(C#N)c1ccc2cccnc2c1 Amb32879623 [0,1,0,0,0,0|2,0,1]=4 851 B15R2.1601 CC(C#N)c1ccc2ncccc2c1 Amb24355262 [0,1,0,0,0,0|2,0,1]=4 852 B15R2.1601 CC(C#N)c1cnc2ccccc2c1 Amb33325130 [0,1,0,0,0,0|2,0,1]=4 853 B15R2.1601 CC(C=O)c1ccc2ccccc2c1 Amb24336340 [0,1,0,0,0,0|0,0,1]=2 854 B15R2.1601 CC(C=O)c1ccc2ccccc2n1 Amb33201370 [0,1,0,0,0,0|1,0,1]=3 855 B15R2.1601 CC(C=O)c1ccc2cccnc2c1 Amb32878866 [0,1,0,0,0,0|1,0,1]=3 856 B15R2.1601 CC(C=O)c1ccc2ncccc2c1 Amb33148689 [0,1,0,0,0,0|1,0,1]=3 857 B15R2.1601 CC(C=O)c1cnc2ccccc2c1 Amb33323977 [0,1,0,0,0,0|1,0,1]=3 858 B15R2.1601 CC(C=O)c1cnc2ccccc2n1 Amb33377317 [0,1,0,0,0,0|2,0,1]=4 859 B15R2.1601 CC(CBr)c1ccc2ccccc2c1 Amb28350443 [0,1,0,0,0,0|1,0,1]=3 860 B15R2.1601 CC(CBr)c1ccc2ccccc2n1 Amb33334254 [0,1,0,0,0,0|2,0,1]=4 861 B15R2.1601 CC(CBr)c1ccc2cccnc2c1 Amb33433335 [0,1,0,0,0,0|2,0,1]=4 862 B15R2.1601 CC(CBr)c1ccc2ncccc2c1 Amb33435498 [0,1,0,0,0,0|2,0,1]=4 863 B15R2.1601 CC(CBr)c1cnc2ccccc2c1 Amb33434154 [0,1,0,0,0,0|2,0,1]=4 864 B15R2.1601 CC(CCl)c1ccc2ccccc2c1 Amb27240366 [0,1,0,0,0,0|1,0,1]=3 865 B15R2.1601 CC(CN)c1ccc2ccccc2c1 Amb8950121 [0,1,0,0,0,0|1,0,1]=3 866 B15R2.1601 CC(CN)c1ccc2ccccc2n1 Amb33502500 [0,1,0,0,0,0|2,0,1]=4 867 B15R2.1601 CC(CN)c1ccc2cccnc2c1 Amb25675076 [0,1,0,0,0,0|2,0,1]=4 868 B15R2.1601 CC(CN)c1ccc2cnccc2c1 Amb25027446 [0,1,0,0,0,0|2,0,1]=4 869 B15R2.1601 CC(CN)c1ccc2ncccc2c1 Amb17321736 [0,1,0,0,0,0|2,0,1]=4 870 B15R2.1601 CC(CN)c1cnc2ccccc2c1 Amb17321735 [0,1,0,0,0,0|2,0,1]=4 871 B15R2.1601 CC(CO)c1ccc2ccccc2c1 Amb25110781 [0,1,0,0,0,0|0,0,2]=3 872 B15R2.1601 CC(CO)c1ccc2cccnc2c1 Amb33749207 [0,1,0,0,0,0|1,0,2]=4 873 B15R2.1601 CC(CO)c1ccc2cnccc2c1 Amb33745862 [0,1,0,0,0,0|1,0,2]=4 874 B15R2.1601 CC(CO)c1ccc2ncccc2c1 Amb33749209 [0,1,0,0,0,0|1,0,2]=4 875 B15R2.1601 CC(NN)c1ccc2cccnc2c1 Amb27852344 [0,1,0,0,0,0|2,0,1]=4 876 B15R2.1601 CC(NO)c1ccc2ccccc2c1 Amb10606964 [0,1,0,0,0,0|0,0,2]=3 877 B15R2.1601 CC(ON)c1ccc2ccccc2c1 Amb33362168 [0,1,0,0,0,0|0,0,2]=3 878 B15R2.1601 CC(ON)c1ccc2ccccc2n1 Amb33201381 [0,1,0,0,0,0|1,0,2]=4 879 B15R2.1601 CC(ON)c1ccc2cccnc2c1 Amb32879178 [0,1,0,0,0,0|1,0,2]=4 880 B15R2.1601 CC(ON)c1ccc2ncccc2c1 Amb33143292 [0,1,0,0,0,0|1,0,2]=4 881 B15R2.1601 CC(ON)c1cnc2ccccc2c1 Amb33323989 [0,1,0,0,0,0|1,0,2]=4 882 B15R2.1601 CCC(=O)N1C=Cc2ccccc2C1 Amb24468547 [0,1,0,0,0,0|1,0,1]=3 883 B15R2.1601 CCC(=O)c1cc2ccccc2cn1 Amb27872482 [0,1,0,0,0,0|1,0,0]=2 884 B15R2.1601 CCC(=O)c1ccc2ccccc2c1 Amb4017274 [0,1,0,0,0,0|0,0,0]=1 885 B15R2.1601 CCC(=O)c1ccc2cccnc2n1 Amb35655577 [0,1,0,0,0,0|2,0,0]=3 886 B15R2.1601 CCC(=O)c1ccc2cnccc2c1 Amb25685033 [0,1,0,0,0,0|1,0,0]=2 887 B15R2.1601 CCC(=O)c1ccc2nccnc2c1 Amb18822143 [0,1,0,0,0,0|2,0,0]=3 888 B15R2.1601 CCC(=O)c1cnc2ccccc2n1 Amb27784833 [0,1,0,0,0,0|2,0,0]=3 889 B15R2.1601 CCC(C)c1ccc2ccccc2c1 Amb28133819 [0,1,0,0,0,0|1,0,1]=3 890 B15R2.1601 CCC(Cl)c1ccc2ncccc2c1 Amb27835514 [0,1,0,0,0,0|2,0,1]=4 891 B15R2.1601 CCC(Cl)c1cnc2ccccc2c1 Amb27982286 [0,1,0,0,0,0|2,0,1]=4 892 B15R2.1601 CCC(N)c1ccc2ccccc2c1 Amb18287330 [0,1,0,0,0,0|1,0,1]=3 893 B15R2.1601 CCC(N)c1ccc2ccncc2c1 Amb27408487 [0,1,0,0,0,0|2,0,1]=4 894 B15R2.1601 CCC(N)c1ccc2cnccc2c1 Amb27817121 [0,1,0,0,0,0|2,0,1]=4 895 B15R2.1601 CCC(N)c1cnc2ccccc2c1 Amb18950475 [0,1,0,0,0,0|2,0,1]=4 896 B15R2.1601 CCC(O)c1ccc2ccccc2n1 Amb28342661 [0,1,0,0,0,0|1,0,2]=4 897 B15R2.1601 CC[C@@H](N)c1ccc2ccccc2c1 Amb23440391 [0,1,0,0,0,0|1,0,1]=3 898 B15R2.1601 CC[C@@H](N)c1ccc2ccccc2c1 Amb27243952 [0,1,0,0,0,0|1,0,1]=3 899 B15R2.1601 CC[C@@H](N)c1ccc2ccccc2n1 Amb28457192 [0,1,0,0,0,0|2,0,1]=4 900 B15R2.1601 CC[C@@H](N)c1ccc2cnccc2c1 Amb27830515 [0,1,0,0,0,0|2,0,1]=4 901 B15R2.1601 CC[C@@H](O)c1ccc2ccccc2c1 Amb27612746 [0,1,0,0,0,0|0,0,2]=3 902 B15R2.1601 CC[C@@H](O)c1cnc2ccccc2c1 Amb27969111 [0,1,0,0,0,0|1,0,2]=4 903 B15R2.1601 CC[C@H](N)c1cc2ccccc2cn1 Amb28292899 [0,1,0,0,0,0|2,0,1]=4 904 B15R2.1601 CC[C@H](N)c1ccc2ccccc2c1 Amb33802002 [0,1,0,0,0,0|1,0,1]=3 905 B15R2.1601 CC[C@H](N)c1ccc2cccnc2c1 Amb27170687 [0,1,0,0,0,0|2,0,1]=4 906 B15R2.1601 CC[C@H](N)c1ccc2ccncc2c1 Amb28283324 [0,1,0,0,0,0|2,0,1]=4 907 B15R2.1601 CC[C@H](O)c1ccc2ccccc2c1 Amb28200346 [0,1,0,0,0,0|0,0,2]=3 908 B15R2.1601 CNC(=N)c1ccc2nccnc2c1 Amb27629975 [0,1,0,0,0,0|3,0,0]=4 909 B15R2.1601 CNC(=N)c1cnc2ccccc2c1 Amb27784742 [0,1,0,0,0,0|2,0,0]=3 910 B15R2.1601 CNC(=O)C1=Cc2ccccc2OC1 Amb8332527 [0,1,0,0,0,0|1,0,1]=3 911 B15R2.1601 CNC(=O)c1ccc2ccccc2c1 Amb8333498 [0,1,0,0,0,0|0,0,0]=1 912 B15R2.1601 CNC(=O)c1ccc2cccnc2n1 Amb35640742 [0,1,0,0,0,0|2,0,0]=3 913 B15R2.1601 CNC(=O)c1ccc2nccnc2c1 Amb22736296 [0,1,0,0,0,0|2,0,0]=3 914 B15R2.1601 CNC(=O)c1cnc2ccccc2c1 Amb22584213 [0,1,0,0,0,0|1,0,0]=2 915 B15R2.1601 CNC(=O)c1ncc2ccccc2n1 Amb28317890 [0,1,0,0,0,0|2,0,0]=3 916 B15R2.1601 CNC(=S)c1ccc2ncccc2c1 Amb28315160 [0,1,0,0,0,0|1,1,0]=3 917 B15R2.1601 CNC(C)c1ccc2ccccc2c1 Amb10610054 [0,1,0,0,0,0|1,0,1]=3 918 B15R2.1601 CNC(C)c1ccc2ccccc2c1 Amb9705536 [0,1,0,0,0,0|1,0,1]=3 919 B15R2.1601 CNC(C)c1ccc2ncccc2c1 Amb24419658 [0,1,0,0,0,0|2,0,1]=4 920 B15R2.1601 CNC(C)c1cnc2ccccc2c1 Amb18950479 [0,1,0,0,0,0|2,0,1]=4 921 B15R2.1601 CN[C@@H](C)c1ccc2ccccc2c1 Amb25037602 [0,1,0,0,0,0|1,0,1]=3 922 B15R2.1601 CN[C@@H](C)c1ccc2ccccc2n1 Amb27468595 [0,1,0,0,0,0|2,0,1]=4 923 B15R2.1601 CN[C@@H](C)c1ccc2cccnc2c1 Amb27253150 [0,1,0,0,0,0|2,0,1]=4 924 B15R2.1601 CN[C@@H](C)c1cnc2ccccc2c1 Amb27440840 [0,1,0,0,0,0|2,0,1]=4 925 B15R2.1601 CN[C@H](C)c1ccc2ncccc2c1 Amb28046798 [0,1,0,0,0,0|2,0,1]=4 926 B15R2.1601 COC(=N)c1ccc2ccccc2c1 Amb18323196 [0,1,0,0,0,0|1,0,0]=2 927 B15R2.1601 COC(=N)c1ccc2cnccc2c1 Amb27623514 [0,1,0,0,0,0|2,0,0]=3 928 B15R2.1601 COC(=N)c1cnc2ccccc2c1 Amb27593742 [0,1,0,0,0,0|2,0,0]=3 929 B15R2.1601 COC(=O)C1=CNc2ccccc2C1 Amb24727103 [0,1,0,0,0,0|1,0,1]=3 930 B15R2.1601 COC(=O)C1=Cc2ccccc2CC1 Amb25938484 [0,1,0,0,0,0|0,0,2]=3 931 B15R2.1601 COC(=O)C1=Cc2ccccc2OC1 Amb2424227 [0,1,0,0,0,0|1,0,1]=3 932 B15R2.1601 COC(=O)C1=Cc2ccncc2CC1 Amb28324712 [0,1,0,0,0,0|1,0,2]=4 933 B15R2.1601 COC(=O)C1=NOc2ccccc2C1 Amb26415216 [0,1,0,0,0,0|2,0,1]=4 934 B15R2.1601 COC(=O)c1cc2ccccc2cn1 Amb2722783 [0,1,0,0,0,0|1,0,0]=2 935 B15R2.1601 COC(=O)c1cc2ccncc2cn1 Amb27417469 [0,1,0,0,0,0|2,0,0]=3 936 B15R2.1601 COC(=O)c1ccc2c(c1)C=CCC2 Amb28062719 [0,1,0,0,0,0|0,0,2]=3 937 B15R2.1601 COC(=O)c1ccc2c(c1)C=CCO2 Amb13953050 [0,1,0,0,0,0|1,0,1]=3 938 B15R2.1601 COC(=O)c1ccc2ccccc2c1 Amb5721993 [0,1,0,0,0,0|0,0,0]=1 939 B15R2.1601 COC(=O)c1ccc2ccccc2n1 Amb19373194 [0,1,0,0,0,0|1,0,0]=2 940 B15R2.1601 COC(=O)c1ccc2ccccc2n1 Amb6334851 [0,1,0,0,0,0|1,0,0]=2 941 B15R2.1601 COC(=O)c1ccc2cccnc2c1 Amb19103848 [0,1,0,0,0,0|1,0,0]=2 942 B15R2.1601 COC(=O)c1ccc2cccnc2n1 Amb22490521 [0,1,0,0,0,0|2,0,0]=3 943 B15R2.1601 COC(=O)c1ccc2ccncc2c1 Amb18349241 [0,1,0,0,0,0|1,0,0]=2 944 B15R2.1601 COC(=O)c1ccc2cnccc2c1 Amb17933852 [0,1,0,0,0,0|1,0,0]=2 945 B15R2.1601 COC(=O)c1ccc2cnccc2c1 Amb22546432 [0,1,0,0,0,0|1,0,0]=2 946 B15R2.1601 COC(=O)c1ccc2cnccc2n1 Amb2691470 [0,1,0,0,0,0|2,0,0]=3 947 B15R2.1601 COC(=O)c1ccc2cncnc2c1 Amb24472213 [0,1,0,0,0,0|2,0,0]=3 948 B15R2.1601 COC(=O)c1ccc2cnncc2c1 Amb27442182 [0,1,0,0,0,0|2,0,0]=3 949 B15R2.1601 COC(=O)c1ccc2ncccc2c1 Amb2644069 [0,1,0,0,0,0|1,0,0]=2 950 B15R2.1601 COC(=O)c1ccc2nccnc2c1 Amb2725095 [0,1,0,0,0,0|2,0,0]=3 951 B15R2.1601 COC(=O)c1ccc2ncncc2c1 Amb25086935 [0,1,0,0,0,0|2,0,0]=3 952 B15R2.1601 COC(=O)c1ccc2nnccc2c1 Amb21857229 [0,1,0,0,0,0|2,0,0]=3 953 B15R2.1601 COC(=O)c1cnc2ccccc2c1 Amb9819003 [0,1,0,0,0,0|1,0,0]=2 954 B15R2.1601 COC(=O)c1cnc2ccccc2n1 Amb2615127 [0,1,0,0,0,0|2,0,0]=3 955 B15R2.1601 COC(=O)c1cnc2cccnc2c1 Amb21959437 [0,1,0,0,0,0|2,0,0]=3 956 B15R2.1601 COC(=O)c1cnc2ccncc2c1 Amb27260904 [0,1,0,0,0,0|2,0,0]=3 957 B15R2.1601 COC(=O)c1cnc2cnccc2c1 Amb24627777 [0,1,0,0,0,0|2,0,0]=3 958 B15R2.1601 COC(=O)c1ncc2ccccc2n1 Amb25920508 [0,1,0,0,0,0|2,0,0]=3 959 B15R2.1601 CSC(=S)c1ccc2ccccc2c1 Amb2608991 [0,1,0,0,0,0|0,1,0]=2 960 B15R2.1601 C[C@@H](C=O)c1ccc2ccccc2c1 Amb27210903 [0,1,0,0,0,0|0,0,1]=2 961 B15R2.1601 C[C@@H](CN)c1ccc2ccccc2c1 Amb33731715 [0,1,0,0,0,0|1,0,1]=3 962 B15R2.1601 C[C@@H](CN)c1ccc2cccnc2c1 Amb33728846 [0,1,0,0,0,0|2,0,1]=4 963 B15R2.1601 C[C@@H](CN)c1ccc2cnccc2c1 Amb33728849 [0,1,0,0,0,0|2,0,1]=4 964 B15R2.1601 C[C@@H](CN)c1ccc2ncccc2c1 Amb33728856 [0,1,0,0,0,0|2,0,1]=4 965 B15R2.1601 C[C@@H](CO)c1ccc2ccccc2c1 Amb27751767 [0,1,0,0,0,0|0,0,2]=3 966 B15R2.1601 C[C@@H](CO)c1ccc2cccnc2c1 Amb33738936 [0,1,0,0,0,0|1,0,2]=4 967 B15R2.1601 C[C@@H](CO)c1ccc2cnccc2c1 Amb33747023 [0,1,0,0,0,0|1,0,2]=4 968 B15R2.1601 C[C@@H](CO)c1ccc2ncccc2c1 Amb33738943 [0,1,0,0,0,0|1,0,2]=4 969 B15R2.1601 C[C@@H](NO)c1ccc2ccccc2c1 Amb27206664 [0,1,0,0,0,0|0,0,2]=3 970 B15R2.1601 C[C@H](CCl)c1ccc2ccccc2c1 Amb27388001 [0,1,0,0,0,0|1,0,1]=3 971 B15R2.1601 C[C@H](CN)c1ccc2ccccc2c1 Amb33747135 [0,1,0,0,0,0|1,0,1]=3 972 B15R2.1601 C[C@H](CN)c1ccc2cccnc2c1 Amb33726998 [0,1,0,0,0,0|2,0,1]=4 973 B15R2.1601 C[C@H](CN)c1ccc2cnccc2c1 Amb33748011 [0,1,0,0,0,0|2,0,1]=4 974 B15R2.1601 C[C@H](CN)c1ccc2ncccc2c1 Amb33726996 [0,1,0,0,0,0|2,0,1]=4 975 B15R2.1601 C[C@H](CO)c1ccc2ccccc2c1 Amb27205699 [0,1,0,0,0,0|0,0,2]=3 976 B15R2.1601 C[C@H](CO)c1ccc2cccnc2c1 Amb33731299 [0,1,0,0,0,0|1,0,2]=4 977 B15R2.1601 C[C@H](CO)c1ccc2cnccc2c1 Amb33731286 [0,1,0,0,0,0|1,0,2]=4 978 B15R2.1601 C[C@H](CO)c1ccc2ncccc2c1 Amb33748161 [0,1,0,0,0,0|1,0,2]=4 979 B15R2.1601 C\C(=N/N)c1ccc2ccccc2c1 Amb2702751 [0,1,0,0,0,0|1,0,0]=2 980 B15R2.1601 C\C(=N\N)c1ccc2ccccc2c1 Amb28421793 [0,1,0,0,0,0|1,0,0]=2 981 B15R2.1601 C\C(=N\O)c1ccc2ccccc2c1 Amb3484959 [0,1,0,0,0,0|0,0,1]=2 982 B15R2.1601 C\C(=N\O)c1ccc2cccnc2c1 Amb27209341 [0,1,0,0,0,0|1,0,1]=3 983 B15R2.1601 N#CC(=O)c1cnc2ccccc2n1 Amb27240232 [0,1,0,0,0,0|2,0,1]=4 984 B15R2.1601 N#CC(Cl)c1ccc2ccccc2c1 Amb27213128 [0,1,0,0,0,0|1,0,2]=4 985 B15R2.1601 N#CC(N)c1ccc2ccccc2c1 Amb33543198 [0,1,0,0,0,0|1,0,2]=4 986 B15R2.1601 N=C(NN)c1cc2ccccc2cn1 Amb28345689 [0,1,0,0,0,0|3,0,0]=4 987 B15R2.1601 NC(CF)c1ccc2ccccc2c1 Amb2372613 [0,1,0,0,0,0|1,0,1]=3 988 B15R2.1601 NC(CO)c1ccc2ccccc2c1 Amb2236212 [0,1,0,0,0,0|1,0,1]=3 989 B15R2.1601 NC(CO)c1ccc2ccccc2c1 Amb8854991 [0,1,0,0,0,0|1,0,1]=3 990 B15R2.1601 NC(CO)c1ccc2ccccc2n1 Amb24736528 [0,1,0,0,0,0|2,0,1]=4 991 B15R2.1601 NC(CO)c1ccc2cccnc2c1 Amb25102662 [0,1,0,0,0,0|2,0,1]=4 992 B15R2.1601 NC(CO)c1ccc2cnccc2c1 Amb27455147 [0,1,0,0,0,0|2,0,1]=4 993 B15R2.1601 NC(CO)c1ccc2ncccc2c1 Amb26939615 [0,1,0,0,0,0|2,0,1]=4 994 B15R2.1601 NC(CO)c1cnc2ccccc2c1 Amb28063034 [0,1,0,0,0,0|2,0,1]=4 995 B15R2.1601 NCC(=O)c1ccc2ccccc2c1 Amb16200345 [0,1,0,0,0,0|0,0,0]=1 996 B15R2.1601 NCC(=O)c1ccc2ccccc2c1 Amb21929148 [0,1,0,0,0,0|0,0,0]=1 997 B15R2.1601 NCC(=O)c1ccc2ccccc2n1 Amb27257595 [0,1,0,0,0,0|1,0,0]=2 998 B15R2.1601 NCC(=O)c1ccc2ccccc2n1 Amb35788248 [0,1,0,0,0,0|1,0,0]=2 999 B15R2.1601 NCC(=O)c1ccc2cccnc2c1 Amb25367057 [0,1,0,0,0,0|1,0,0]=2 1000 B15R2.1601 NCC(=O)c1ccc2ncccc2c1 Amb25900848 [0,1,0,0,0,0|1,0,0]=2 1001 B15R2.1601 NCC(=O)c1cnc2ccccc2c1 Amb10553604 [0,1,0,0,0,0|1,0,0]=2 1002 B15R2.1601 NCC(=O)c1cnc2ccccc2n1 Amb24511388 [0,1,0,0,0,0|2,0,0]=3 1003 B15R2.1601 NCC(F)c1ccc2ccccc2c1 Amb25843393 [0,1,0,0,0,0|1,0,1]=3 1004 B15R2.1601 NCC(F)c1ccc2ccccc2n1 Amb33201642 [0,1,0,0,0,0|2,0,1]=4 1005 B15R2.1601 NCC(F)c1ccc2cccnc2c1 Amb26395226 [0,1,0,0,0,0|2,0,1]=4 1006 B15R2.1601 NCC(F)c1ccc2cnccc2c1 Amb27435539 [0,1,0,0,0,0|2,0,1]=4 1007 B15R2.1601 NCC(F)c1ccc2ncccc2c1 Amb25228305 [0,1,0,0,0,0|2,0,1]=4 1008 B15R2.1601 NCC(F)c1cnc2ccccc2c1 Amb25980671 [0,1,0,0,0,0|2,0,1]=4 1009 B15R2.1601 NCC(N)c1ccc2cccnc2c1 Amb27413842 [0,1,0,0,0,0|2,0,1]=4 1010 B15R2.1601 NCC(N)c1ccc2ncccc2c1 Amb27467344 [0,1,0,0,0,0|2,0,1]=4 1011 B15R2.1601 NCC(O)c1ccc2ccccc2c1 Amb1108257 [0,1,0,0,0,0|0,0,2]=3 1012 B15R2.1601 NCC(O)c1ccc2ccccc2n1 Amb25851660 [0,1,0,0,0,0|1,0,2]=4 1013 B15R2.1601 NCC(O)c1ccc2cccnc2c1 Amb25689346 [0,1,0,0,0,0|1,0,2]=4 1014 B15R2.1601 NCC(O)c1ccc2ncccc2c1 Amb2697541 [0,1,0,0,0,0|1,0,2]=4 1015 B15R2.1601 NCC(O)c1cnc2ccccc2c1 Amb18562959 [0,1,0,0,0,0|1,0,2]=4 1016 B15R2.1601 NC[C@@H](N)c1ccc2ccccc2n1 Amb27435632 [0,1,0,0,0,0|2,0,1]=4 1017 B15R2.1601 NC[C@@H](O)c1ccc2ccccc2c1 Amb26433670 [0,1,0,0,0,0|0,0,2]=3 1018 B15R2.1601 NC[C@@H](O)c1ccc2ccccc2n1 Amb33201641 [0,1,0,0,0,0|1,0,2]=4 1019 B15R2.1601 NC[C@@H](O)c1ccc2cccnc2c1 Amb32879654 [0,1,0,0,0,0|1,0,2]=4 1020 B15R2.1601 NC[C@@H](O)c1ccc2ncccc2c1 Amb33143327 [0,1,0,0,0,0|1,0,2]=4 1021 B15R2.1601 NC[C@@H](O)c1cnc2ccccc2c1 Amb33324491 [0,1,0,0,0,0|1,0,2]=4 1022 B15R2.1601 NC[C@H](N)c1ccc2ccccc2n1 Amb27748240 [0,1,0,0,0,0|2,0,1]=4 1023 B15R2.1601 NC[C@H](N)c1ccc2cccnc2c1 Amb27881582 [0,1,0,0,0,0|2,0,1]=4 1024 B15R2.1601 NC[C@H](N)c1ccc2ncccc2c1 Amb27164322 [0,1,0,0,0,0|2,0,1]=4 1025 B15R2.1601 NC[C@H](O)c1ccc2ccccc2c1 Amb25836438 [0,1,0,0,0,0|0,0,2]=3 1026 B15R2.1601 NC[C@H](O)c1ccc2ccccc2n1 Amb33201975 [0,1,0,0,0,0|1,0,2]=4 1027 B15R2.1601 NC[C@H](O)c1ccc2cccnc2c1 Amb32879655 [0,1,0,0,0,0|1,0,2]=4 1028 B15R2.1601 NC[C@H](O)c1ccc2ncccc2c1 Amb33143357 [0,1,0,0,0,0|1,0,2]=4 1029 B15R2.1601 NC[C@H](O)c1cnc2ccccc2c1 Amb33324492 [0,1,0,0,0,0|1,0,2]=4 1030 B15R2.1601 NNC(=O)C1=Cc2ccccc2CC1 Amb28121461 [0,1,0,0,0,0|1,0,2]=4 1031 B15R2.1601 NNC(=O)c1ccc2ccccc2c1 Amb1133202 [0,1,0,0,0,0|1,0,0]=2 1032 B15R2.1601 NNC(=O)c1ccc2ccccc2n1 Amb1105104 [0,1,0,0,0,0|2,0,0]=3 1033 B15R2.1601 NNC(=O)c1ccc2cccnc2n1 Amb35640745 [0,1,0,0,0,0|3,0,0]=4 1034 B15R2.1601 NNC(=O)c1ccc2cnccc2c1 Amb22754512 [0,1,0,0,0,0|2,0,0]=3 1035 B15R2.1601 NNC(=O)c1ccc2cnncc2c1 Amb27463543 [0,1,0,0,0,0|3,0,0]=4 1036 B15R2.1601 NNC(=O)c1ccc2ncccc2c1 Amb1262733 [0,1,0,0,0,0|2,0,0]=3 1037 B15R2.1601 NNC(=O)c1ccc2ncccc2n1 Amb27432085 [0,1,0,0,0,0|3,0,0]=4 1038 B15R2.1601 NNC(=O)c1ccc2nccnc2c1 Amb5638090 [0,1,0,0,0,0|3,0,0]=4 1039 B15R2.1601 NNC(=O)c1cnc2ccccc2c1 Amb20239597 [0,1,0,0,0,0|2,0,0]=3 1040 B15R2.1601 NNC(=O)c1ncc2ccccc2n1 Amb27631761 [0,1,0,0,0,0|3,0,0]=4 1041 B15R2.1601 N[C@@H](CF)c1ccc2ccccc2c1 Amb27868655 [0,1,0,0,0,0|1,0,1]=3 1042 B15R2.1601 N[C@@H](CO)c1cc2ccccc2cn1 Amb27169512 [0,1,0,0,0,0|2,0,1]=4 1043 B15R2.1601 N[C@@H](CO)c1ccc2ccccc2c1 Amb23440423 [0,1,0,0,0,0|1,0,1]=3 1044 B15R2.1601 N[C@@H](CO)c1ccc2ccccc2c1 Amb26509299 [0,1,0,0,0,0|1,0,1]=3 1045 B15R2.1601 N[C@@H](CO)c1ccc2ccccc2n1 Amb25062966 [0,1,0,0,0,0|2,0,1]=4 1046 B15R2.1601 N[C@@H](CO)c1ccc2cccnc2c1 Amb27955783 [0,1,0,0,0,0|2,0,1]=4 1047 B15R2.1601 N[C@@H](CO)c1ccc2ccncc2c1 Amb27169514 [0,1,0,0,0,0|2,0,1]=4 1048 B15R2.1601 N[C@@H](CO)c1ccc2ncccc2c1 Amb24578336 [0,1,0,0,0,0|2,0,1]=4 1049 B15R2.1601 N[C@@H](CO)c1cnc2ccccc2c1 Amb26960340 [0,1,0,0,0,0|2,0,1]=4 1050 B15R2.1601 N[C@H](CF)c1ccc2ccccc2c1 Amb27273188 [0,1,0,0,0,0|1,0,1]=3 1051 B15R2.1601 N[C@H](CO)c1cc2ccccc2cn1 Amb27164270 [0,1,0,0,0,0|2,0,1]=4 1052 B15R2.1601 N[C@H](CO)c1ccc2ccccc2c1 Amb25727246 [0,1,0,0,0,0|1,0,1]=3 1053 B15R2.1601 N[C@H](CO)c1ccc2ccccc2n1 Amb24460310 [0,1,0,0,0,0|2,0,1]=4 1054 B15R2.1601 N[C@H](CO)c1ccc2cccnc2c1 Amb25859242 [0,1,0,0,0,0|2,0,1]=4 1055 B15R2.1601 N[C@H](CO)c1ccc2ncccc2c1 Amb27243953 [0,1,0,0,0,0|2,0,1]=4 1056 B15R2.1601 N[C@H](CO)c1cnc2ccccc2c1 Amb26046328 [0,1,0,0,0,0|2,0,1]=4 1057 B15R2.1601 N\C(=N/O)c1ccc2ccccc2c1 Amb2724905 [0,1,0,0,0,0|1,0,1]=3 1058 B15R2.1601 N\C(=N\O)c1ccc2ccccc2n1 Amb2696201 [0,1,0,0,0,0|2,0,1]=4 1059 B15R2.1601 N\C(=N\O)c1ccc2cnccc2c1 Amb27470116 [0,1,0,0,0,0|2,0,1]=4 1060 B15R2.1601 N\N=C(/N)c1ccc2ncccc2c1 Amb18323556 [0,1,0,0,0,0|3,0,0]=4 1061 B15R2.1601 N\N=C(\N)c1ccc2ccccc2n1 Amb19045997 [0,1,0,0,0,0|3,0,0]=4 1062 B15R2.1601 O=C(CBr)c1ccc2ccccc2c1 Amb1229977 [0,1,0,0,0,0|0,0,0]=1 1063 B15R2.1601 O=C(CBr)c1ccc2cccnc2n1 Amb35655574 [0,1,0,0,0,0|2,0,0]=3 1064 B15R2.1601 O=C(CBr)c1ccc2cnccc2c1 Amb25982731 [0,1,0,0,0,0|1,0,0]=2 1065 B15R2.1601 O=C(CBr)c1cnc2ncccc2c1 Amb27664141 [0,1,0,0,0,0|2,0,0]=3 1066 B15R2.1601 O=C(CCl)c1cc2ccccc2cn1 Amb27957259 [0,1,0,0,0,0|1,0,0]=2 1067 B15R2.1601 O=C(CCl)c1ccc2ccccc2c1 Amb24104160 [0,1,0,0,0,0|0,0,0]=1 1068 B15R2.1601 O=C(CCl)c1ccc2ccccc2n1 Amb24521506 [0,1,0,0,0,0|1,0,0]=2 1069 B15R2.1601 O=C(CCl)c1ccc2cccnc2c1 Amb33480523 [0,1,0,0,0,0|1,0,0]=2 1070 B15R2.1601 O=C(CCl)c1ccc2cccnc2n1 Amb35655573 [0,1,0,0,0,0|2,0,0]=3 1071 B15R2.1601 O=C(CCl)c1ccc2ncccc2c1 Amb27393452 [0,1,0,0,0,0|1,0,0]=2 1072 B15R2.1601 O=C(CCl)c1cnc2ccccc2c1 Amb25732423 [0,1,0,0,0,0|1,0,0]=2 1073 B15R2.1601 O=C(CCl)c1cnc2ccccc2n1 Amb26595888 [0,1,0,0,0,0|2,0,0]=3 1074 B15R2.1601 O=C(CF)c1ccc2ccccc2c1 Amb26846092 [0,1,0,0,0,0|0,0,0]=1 1075 B15R2.1601 O=C(CO)c1ccc2ccccc2c1 Amb27417478 [0,1,0,0,0,0|0,0,0]=1 1076 B15R2.1601 O=C(NO)c1ccc2ccccc2c1 Amb6265054 [0,1,0,0,0,0|1,0,0]=2 1077 B15R2.1601 O=C(NO)c1ccc2ccccc2n1 Amb33532658 [0,1,0,0,0,0|2,0,0]=3 1078 B15R2.1601 O=C(NO)c1ccc2cccnc2c1 Amb19103744 [0,1,0,0,0,0|2,0,0]=3 1079 B15R2.1601 O=C(NO)c1ccc2cccnc2n1 Amb29887057 [0,1,0,0,0,0|3,0,0]=4 1080 B15R2.1601 O=C(NO)c1ccc2ccncc2c1 Amb19103614 [0,1,0,0,0,0|2,0,0]=3 1081 B15R2.1601 O=C(NO)c1ccc2cnccc2c1 Amb18352530 [0,1,0,0,0,0|2,0,0]=3 1082 B15R2.1601 O=C(NO)c1ccc2ncccc2c1 Amb19059651 [0,1,0,0,0,0|2,0,0]=3 1083 B15R2.1601 O=C(NO)c1ccc2nccnc2c1 Amb19077611 [0,1,0,0,0,0|3,0,0]=4 1084 B15R2.1601 O=C(NO)c1cnc2ccccc2n1 Amb28429962 [0,1,0,0,0,0|3,0,0]=4 1085 B15R2.1601 O=CC(=O)c1ccc2ccccc2c1 Amb18129371 [0,1,0,0,0,0|0,0,1]=2 1086 B15R2.1601 O=CC(=O)c1ccc2ccccc2c1 Amb19957417 [0,1,0,0,0,0|0,0,1]=2 1087 B15R2.1601 O=CC(O)c1ccc2ccccc2c1 Amb28411630 [0,1,0,0,0,0|1,0,1]=3 1088 B15R2.1601 O=CN(O)c1ccc2ccccc2c1 Amb27883163 [0,1,0,0,0,0|2,0,0]=3 1089 B15R2.1601 OC(CBr)c1ccc2ccccc2c1 Amb27593387 [0,1,0,0,0,0|0,0,2]=3 1090 B15R2.1601 OC(CBr)c1ccc2ccccc2n1 Amb33333399 [0,1,0,0,0,0|1,0,2]=4 1091 B15R2.1601 OC(CBr)c1ccc2cccnc2c1 Amb33433362 [0,1,0,0,0,0|1,0,2]=4 1092 B15R2.1601 OC(CBr)c1ccc2ncccc2c1 Amb33435506 [0,1,0,0,0,0|1,0,2]=4 1093 B15R2.1601 OC(CBr)c1cnc2ccccc2c1 Amb33385131 [0,1,0,0,0,0|1,0,2]=4 1094 B15R2.1601 OC(CCl)c1ccc2ccccc2c1 Amb27152327 [0,1,0,0,0,0|0,0,2]=3 1095 B15R2.1601 OC(CCl)c1ccc2ccccc2n1 Amb33258246 [0,1,0,0,0,0|1,0,2]=4 1096 B15R2.1601 OC(CCl)c1ccc2cccnc2c1 Amb33222937 [0,1,0,0,0,0|1,0,2]=4 1097 B15R2.1601 OC(CF)c1ccc2ccccc2c1 Amb33361943 [0,1,0,0,0,0|0,0,2]=3 1098 B15R2.1601 OC(CF)c1ccc2ccccc2n1 Amb33201369 [0,1,0,0,0,0|1,0,2]=4 1099 B15R2.1601 OC(CF)c1ccc2cccnc2c1 Amb32878863 [0,1,0,0,0,0|1,0,2]=4 1100 B15R2.1601 OC(CF)c1ccc2ncccc2c1 Amb33148687 [0,1,0,0,0,0|1,0,2]=4 1101 B15R2.1601 OC(CF)c1cnc2ccccc2c1 Amb33323974 [0,1,0,0,0,0|1,0,2]=4 1102 B15R2.1601 OCC(O)c1ccc2ccccc2c1 Amb27591423 [0,1,0,0,0,0|0,0,2]=3 1103 B15R2.1601 OCC(O)c1ccc2ccccc2n1 Amb24672737 [0,1,0,0,0,0|1,0,2]=4 1104 B15R2.1601 OCC(O)c1ccc2cccnc2c1 Amb32878864 [0,1,0,0,0,0|1,0,2]=4 1105 B15R2.1601 OCC(O)c1ccc2ncccc2c1 Amb27471435 [0,1,0,0,0,0|1,0,2]=4 1106 B15R2.1601 OCC(O)c1cnc2ccccc2c1 Amb33323976 [0,1,0,0,0,0|1,0,2]=4 1107 B15R2.1601 OC[C@@H](O)c1ccc2ccccc2c1 Amb22336664 [0,1,0,0,0,0|0,0,2]=3 1108 B15R2.1601 OC[C@@H](O)c1ccc2ccccc2n1 Amb27166845 [0,1,0,0,0,0|1,0,2]=4 1109 B15R2.1601 OC[C@H](O)c1ccc2ccccc2n1 Amb28320948 [0,1,0,0,0,0|1,0,2]=4 1110 B15R2.1601 ONC(=S)c1ccc2cccnc2c1 Amb27634337 [0,1,0,0,0,0|2,0,1]=4 1111 B15R2.1601 O[C@H](CBr)c1ccc2ccccc2c1 Amb6893371 [0,1,0,0,0,0|0,0,2]=3 1112 B15R2.1601 O[C@H](CCl)c1ccc2ccccc2c1 Amb27248962 [0,1,0,0,0,0|0,0,2]=3 1113 B15R2.1601 O\N=C(/Cl)c1cc2ccccc2cn1 Amb34913794 [0,1,0,0,0,0|2,0,1]=4 1114 B15R2.1601 O\N=C(/Cl)c1ccc2cccnc2c1 Amb34913793 [0,1,0,0,0,0|2,0,1]=4 1115 B15R2.1601 O\N=C(/Cl)c1ccc2ccncc2c1 Amb34913792 [0,1,0,0,0,0|2,0,1]=4 1116 B15R2.1601 O\N=C(/Cl)c1ccc2ncccc2c1 Amb34913790 [0,1,0,0,0,0|2,0,1]=4 1117 B15R2.1601 O\N=C(\Cl)c1ccc2ccccc2c1 Amb28042479 [0,1,0,0,0,0|1,0,1]=3 1118 B15R2.1601 O\N=C(\Cl)c1cnc2ccccc2c1 Amb28185013 [0,1,0,0,0,0|2,0,1]=4 1119 B15R2.1601 [C-]#[N+]C(C)c1ccc2ccccc2c1 Amb3973340 [0,1,0,0,0,0|1,0,1]=3 1120 B15R2.1601 [C-]#[N+]C(C)c1ccc2cccnc2c1 Amb32878116 [0,1,0,0,0,0|2,0,1]=4 1121 B15R2.1601 [C-]#[N+]C(C)c1ccc2ncccc2c1 Amb33143301 [0,1,0,0,0,0|2,0,1]=4 1122 B15R2.1601 [C-]#[N+]C(C)c1cnc2ccccc2c1 Amb33324496 [0,1,0,0,0,0|2,0,1]=4 1123 B15R2.4441 CC(C)(C)c1ccc2ccccc2[o+]1 Amb3469612 [0,1,0,0,0,0|2,0,1]=4 1124 B15R2.4441 CC(C)(C)c1ccc2cccnc2c1 Amb28194298 [0,1,0,0,0,0|2,0,1]=4 1125 B15R2.4441 CC(C)(C)c1ccc2ccncc2c1 Amb18349239 [0,1,0,0,0,0|2,0,1]=4 1126 B15R2.4441 CC(C)(C)c1ccc2cnccc2c1 Amb26427970 [0,1,0,0,0,0|2,0,1]=4 1127 B15R2.4441 CC(C)(C)c1ccc2ncccc2c1 Amb8439115 [0,1,0,0,0,0|2,0,1]=4 1128 B15R2.4441 CC(C)(N)c1ccc2ccccc2c1 Amb16191882 [0,1,0,0,0,0|1,0,1]=3 1129 B15R2.4441 CC(C)(N)c1ccc2ccccc2c1 Amb28653159 [0,1,0,0,0,0|1,0,1]=3 1130 B15R2.4441 CC(C)(N)c1ccc2ccccc2n1 Amb25117371 [0,1,0,0,0,0|2,0,1]=4 1131 B15R2.4441 CC(C)(N)c1ccc2cccnc2c1 Amb24521624 [0,1,0,0,0,0|2,0,1]=4 1132 B15R2.4441 CC(C)(N)c1ccc2cnccc2c1 Amb28045290 [0,1,0,0,0,0|2,0,1]=4 1133 B15R2.4441 CC(C)(N)c1ccc2ncccc2c1 Amb26034047 [0,1,0,0,0,0|2,0,1]=4 1134 B15R2.4441 CC(C)(N)c1cnc2ccccc2c1 Amb18944279 [0,1,0,0,0,0|2,0,1]=4 1135 B15R2.4441 CC(C)(O)c1ccc2ccccc2c1 Amb19070063 [0,1,0,0,0,0|0,0,2]=3 1136 B15R2.4441 CC(C)(O)c1ccc2ccccc2n1 Amb25861719 [0,1,0,0,0,0|1,0,2]=4 1137 B15R2.4441 CC(C)(O)c1ccc2cccnc2c1 Amb25249063 [0,1,0,0,0,0|1,0,2]=4 1138 B15R2.4441 CC(C)(O)c1ccc2ncccc2c1 Amb25165335 [0,1,0,0,0,0|1,0,2]=4 1139 B15R2.4441 CC(C)(O)c1cnc2ccccc2c1 Amb2613044 [0,1,0,0,0,0|1,0,2]=4 1140 B15R2.4441 CC(F)(F)c1ccc2ccccc2c1 Amb20670171 [0,1,0,0,0,0|1,0,1]=3 1141 B15R2.4441 CS(=N)(=O)c1ccc2ccccc2c1 Amb27164019 [0,1,0,0,0,0|1,0,0]=2 1142 B15R2.4441 CS(=O)(=O)c1ccc2ccccc2c1 Amb4006805 [0,1,0,0,0,0|1,0,0]=2 1143 B15R2.4441 CS(=O)(=O)c1ccc2ccccc2n1 Amb8392317 [0,1,0,0,0,0|2,0,0]=3 1144 B15R2.4441 CS(=O)(=O)c1ccc2ncccc2c1 Amb4010051 [0,1,0,0,0,0|2,0,0]=3 1145 B15R2.4441 C[Si](C)(C)c1ccc2ccccc2c1 Amb19886441 [0,1,0,0,0,0|1,1,0]=3 1146 B15R2.4441 C[Si](C)(C)c1ccc2ccccc2n1 Amb27772994 [0,1,0,0,0,0|2,1,0]=4 1147 B15R2.4441 C[Si](C)(C)c1ccc2cccnc2c1 Amb27461188 [0,1,0,0,0,0|2,1,0]=4 1148 B15R2.4441 C[Si](C)(C)c1ccc2cnccc2c1 Amb28048762 [0,1,0,0,0,0|2,1,0]=4 1149 B15R2.4441 C[Si](C)(C)c1cnc2ccccc2c1 Amb27404791 [0,1,0,0,0,0|2,1,0]=4 1150 B15R2.4441 C[Si](C)(O)c1ccc2ccccc2c1 Amb25233243 [0,1,0,0,0,0|0,1,1]=3 1151 B15R2.4441 C[Si](C)(O)c1cnc2ccccc2c1 Amb28251706 [0,1,0,0,0,0|1,1,1]=4 1152 B15R2.4441 C[Sn](C)(C)c1ccc2ccncc2c1 Amb28989467 [0,1,0,0,0,0|3,0,0]=4 1153 B15R2.4441 C[Sn](C)(C)c1ccc2cnccc2c1 Amb32409463 [0,1,0,0,0,0|3,0,0]=4 1154 B15R2.4441 FC(F)(F)c1ccc2ccccc2c1 Amb20669935 [0,1,0,0,0,0|2,0,1]=4 1155 B15R2.4441 F[B-](F)(F)c1ccc2ccccc2c1 Amb10838997 [0,1,0,0,0,0|3,0,0]=4 1156 B15R2.4441 NS(=O)(=O)c1cc2ccccc2cn1 Amb27399228 [0,1,0,0,0,0|3,0,0]=4 1157 B15R2.4441 NS(=O)(=O)c1ccc2ccccc2c1 Amb1144424 [0,1,0,0,0,0|2,0,0]=3 1158 B15R2.4441 NS(=O)(=O)c1ccc2ccccc2n1 Amb27956781 [0,1,0,0,0,0|3,0,0]=4 1159 B15R2.4441 NS(=O)(=O)c1ccc2cccnc2c1 Amb25040269 [0,1,0,0,0,0|3,0,0]=4 1160 B15R2.4441 NS(=O)(=O)c1ccc2ncccc2c1 Amb28051500 [0,1,0,0,0,0|3,0,0]=4 1161 B15R2.4441 NS(=O)(=O)c1cnc2ccccc2c1 Amb25205955 [0,1,0,0,0,0|3,0,0]=4 1162 B15R2.4441 O=P(O)(O)c1ccc2ncccc2c1 Amb28075397 [0,1,0,0,0,0|3,0,0]=4 1163 B15R2.4441 O=P(O)(O)c1cnc2ccccc2c1 Amb27642545 [0,1,0,0,0,0|3,0,0]=4 1164 B15R2.4441 O=S(=O)(Br)c1ccc2ccccc2c1 Amb27817141 [0,1,0,0,0,0|2,0,0]=3 1165 B15R2.4441 O=S(=O)(Cl)c1cc2ccccc2cn1 Amb28077842 [0,1,0,0,0,0|3,0,0]=4 1166 B15R2.4441 O=S(=O)(Cl)c1ccc2ccccc2c1 Amb2722486 [0,1,0,0,0,0|2,0,0]=3 1167 B15R2.4441 O=S(=O)(Cl)c1ccc2ccccc2n1 Amb18946158 [0,1,0,0,0,0|3,0,0]=4 1168 B15R2.4441 O=S(=O)(Cl)c1ccc2cccnc2c1 Amb27807236 [0,1,0,0,0,0|3,0,0]=4 1169 B15R2.4441 O=S(=O)(Cl)c1ccc2ccncc2c1 Amb24053145 [0,1,0,0,0,0|3,0,0]=4 1170 B15R2.4441 O=S(=O)(Cl)c1ccc2cnccc2c1 Amb28314493 [0,1,0,0,0,0|3,0,0]=4 1171 B15R2.4441 O=S(=O)(Cl)c1ccc2ncccc2c1 Amb10603878 [0,1,0,0,0,0|3,0,0]=4 1172 B15R2.4441 O=S(=O)(Cl)c1cnc2ccccc2c1 Amb17619760 [0,1,0,0,0,0|3,0,0]=4 1173 B15R2.4441 O=S(=O)(F)c1ccc2ccccc2c1 Amb27866234 [0,1,0,0,0,0|2,0,0]=3 1174 B15R2.4441 O=S(=O)(F)c1ccc2ccccc2n1 Amb26899118 [0,1,0,0,0,0|3,0,0]=4 1175 B15R2.4441 O=S(=O)(F)c1ccc2cccnc2c1 Amb33076756 [0,1,0,0,0,0|3,0,0]=4 1176 B15R2.4441 O=S(=O)(F)c1ccc2cnccc2c1 Amb28124194 [0,1,0,0,0,0|3,0,0]=4 1177 B15R2.4441 O=S(=O)(F)c1ccc2ncccc2c1 Amb24638055 [0,1,0,0,0,0|3,0,0]=4 1178 B15R2.4441 O=S(=O)(F)c1cnc2ccccc2c1 Amb32717664 [0,1,0,0,0,0|3,0,0]=4 1179 B15R2.4441 O=S(=O)(O)c1ccc2ccccc2c1 Amb2793027 [0,1,0,0,0,0|2,0,0]=3 1180 B15R2.4441 O=S(=O)(O)c1ccc2ccccc2n1 Amb16187008 [0,1,0,0,0,0|3,0,0]=4 1181 B15R2.4441 O=S(=O)(O)c1cnc2ccccc2c1 Amb24082060 [0,1,0,0,0,0|3,0,0]=4 1182 B15R2.4441 O=S(=O)([O-])c1ccc2ccccc2c1 Amb22361281 [0,1,0,0,0,0|2,0,0]=3 1183 B15R2.4441 O=S(=O)([O-])c1ccc2ccccc2c1 Amb8516721 [0,1,0,0,0,0|2,0,0]=3 1184 B15R2.7174 C=C(C)c1ccc2ccc(Cl)cc2n1 Amb27438679 [0,1,0,0,0,0|2,0,0]=3 1185 B15R2.7174 C=C(C)c1ccc2ccc(O)cc2c1 Amb32751568 [0,1,0,0,0,0|1,0,0]=2 1186 B15R2.7174 CC(=O)C1=Cc2cc(Br)ccc2OC1 Amb7094379 [0,1,0,0,0,0|1,0,1]=3 1187 B15R2.7174 CC(=O)C1=Cc2cc(C)ccc2OC1 Amb7094368 [0,1,0,0,0,0|1,0,1]=3 1188 B15R2.7174 CC(=O)C1=Cc2cc(Cl)ccc2OC1 Amb7094378 [0,1,0,0,0,0|1,0,1]=3 1189 B15R2.7174 CC(=O)C1=Cc2cc(F)ccc2OC1 Amb32756592 [0,1,0,0,0,0|1,0,1]=3 1190 B15R2.7174 CC(=O)N1C=Cc2ccc(Cl)cc2C1 Amb22750784 [0,1,0,0,0,0|1,0,1]=3 1191 B15R2.7174 CC(=O)c1cc2cc(Br)ccc2nn1 Amb28135787 [0,1,0,0,0,0|2,0,0]=3 1192 B15R2.7174 CC(=O)c1ccc2c(c1)NC(=O)CC2 Amb23401727 [0,1,0,0,0,0|1,0,2]=4 1193 B15R2.7174 CC(=O)c1ccc2c(c1)NC(=O)CN2 Amb16186960 [0,1,0,0,0,0|2,0,1]=4 1194 B15R2.7174 CC(=O)c1ccc2c(c1)NC(=O)CO2 Amb1399321 [0,1,0,0,0,0|2,0,1]=4 1195 B15R2.7174 CC(=O)c1ccc2c(c1)NC(=O)CS2 Amb16186961 [0,1,0,0,0,0|2,0,1]=4 1196 B15R2.7174 CC(=O)c1ccc2c(c1)NC(=O)OC2 Amb27208553 [0,1,0,0,0,0|2,0,1]=4 1197 B15R2.7174 CC(=O)c1ccc2c(c1)OC(=O)C=C2 Amb28246862 [0,1,0,0,0,0|1,0,0]=2 1198 B15R2.7174 CC(=O)c1ccc2ccc(Br)cc2n1 Amb25351037 [0,1,0,0,0,0|1,0,0]=2 1199 B15R2.7174 CC(=O)c1ccc2ccc(C)nc2c1 Amb19104817 [0,1,0,0,0,0|1,0,0]=2 1200 B15R2.7174 CC(=O)c1ccc2ccc(Cl)nc2c1 Amb27749737 [0,1,0,0,0,0|1,0,0]=2 1201 B15R2.7174 CC(=O)c1ccc2ccc(F)cc2c1 Amb27847140 [0,1,0,0,0,0|0,0,0]=1 1202 B15R2.7174 CC(=O)c1ccc2ccc(O)cc2c1 Amb18649272 [0,1,0,0,0,0|0,0,0]=1 1203 B15R2.7174 CC(=O)c1ccc2cnc(Cl)cc2c1 Amb27242682 [0,1,0,0,0,0|1,0,0]=2 1204 B15R2.7174 CC(=O)c1ccc2ncc(Br)cc2c1 Amb16233399 [0,1,0,0,0,0|1,0,0]=2 1205 B15R2.7174 CC(=O)c1ccc2ncc(Cl)cc2c1 Amb26896461 [0,1,0,0,0,0|1,0,0]=2 1206 B15R2.7174 CC(=O)c1ccc2ncc(F)cc2c1 Amb30594162 [0,1,0,0,0,0|1,0,0]=2 1207 B15R2.7174 CC(=O)c1ccc2ncc(N)cc2c1 Amb26896462 [0,1,0,0,0,0|1,0,0]=2 1208 B15R2.7174 CC(=O)c1ccc2ncc(O)cc2c1 Amb30594163 [0,1,0,0,0,0|1,0,0]=2 1209 B15R2.7174 CC(=O)c1cnc2ccc(Br)cc2c1 Amb24716930 [0,1,0,0,0,0|1,0,0]=2 1210 B15R2.7174 CC(=O)c1cnc2ccc(Cl)cc2c1 Amb26972193 [0,1,0,0,0,0|1,0,0]=2 1211 B15R2.7174 CC(=O)c1cnc2cnc(Cl)cc2c1 Amb27421426 [0,1,0,0,0,0|2,0,0]=3 1212 B15R2.7174 CC(C)c1ccc2c(c1)OC(=O)C=C2 Amb27963157 [0,1,0,0,0,0|2,0,1]=4 1213 B15R2.7174 CC(C)c1ccc2ccc(Cl)cc2n1 Amb25042893 [0,1,0,0,0,0|2,0,1]=4 1214 B15R2.7174 CC(C)c1ccc2ccc(F)cc2n1 Amb26050159 [0,1,0,0,0,0|2,0,1]=4 1215 B15R2.7174 CC(C)c1ccc2ccc(O)cc2c1 Amb26476523 [0,1,0,0,0,0|1,0,1]=3 1216 B15R2.7174 CC(C)c1ccc2ncc(N)cc2c1 Amb17157133 [0,1,0,0,0,0|2,0,1]=4 1217 B15R2.7174 CC(N)c1ccc2ccc(Cl)cc2c1 Amb27239429 [0,1,0,0,0,0|1,0,1]=3 1218 B15R2.7174 CC(N)c1ccc2ccc(N)cc2c1 Amb27876107 [0,1,0,0,0,0|1,0,1]=3 1219 B15R2.7174 CC(N)c1ccc2ccc(N)cc2n1 Amb28143712 [0,1,0,0,0,0|2,0,1]=4 1220 B15R2.7174 CN(C)c1ccc2c(c1)OC(=O)C=C2 Amb20247403 [0,1,0,0,0,0|3,0,0]=4 1221 B15R2.7174 CN(C)c1ccc2ncc(Br)cc2c1 Amb22751173 [0,1,0,0,0,0|3,0,0]=4 1222 B15R2.7174 CN(C)c1ccc2ncc(Cl)cc2c1 Amb22751175 [0,1,0,0,0,0|3,0,0]=4 1223 B15R2.7174 CN(C)c1ccc2ncc(I)cc2c1 Amb22751171 [0,1,0,0,0,0|3,0,0]=4 1224 B15R2.7174 CN(C)c1ccc2ncc(N)cc2c1 Amb32673399 [0,1,0,0,0,0|3,0,0]=4 1225 B15R2.7174 C[C@@H](N)c1ccc2ccc(N)cc2c1 Amb27754179 [0,1,0,0,0,0|1,0,1]=3 1226 B15R2.7174 C[C@@H](N)c1ccc2ccc(N)cc2n1 Amb27488629 [0,1,0,0,0,0|2,0,1]=4 1227 B15R2.7174 Cc1cc2cc(C(=O)O)ccc2cn1 Amb25924750 [0,1,0,0,0,0|2,0,0]=3 1228 B15R2.7174 Cc1ccc2c(c1)C=C(C(=O)O)CO2 Amb7094366 [0,1,0,0,0,0|2,0,1]=4 1229 B15R2.7174 Cc1ccc2ccc(C(=N)N)cc2n1 Amb19103051 [0,1,0,0,0,0|3,0,0]=4 1230 B15R2.7174 Cc1ccc2ccc(C(=N)N)nc2c1 Amb22277056 [0,1,0,0,0,0|3,0,0]=4 1231 B15R2.7174 Cc1ccc2ccc(C(=N)N)nc2c1 Amb27626986 [0,1,0,0,0,0|3,0,0]=4 1232 B15R2.7174 Cc1ccc2ccc(C(=O)Cl)cc2c1 Amb25365008 [0,1,0,0,0,0|1,0,0]=2 1233 B15R2.7174 Cc1ccc2ccc(C(=O)O)cc2c1 Amb25806154 [0,1,0,0,0,0|1,0,0]=2 1234 B15R2.7174 Cc1ccc2ccc(C(=O)O)nc2c1 Amb22495977 [0,1,0,0,0,0|2,0,0]=3 1235 B15R2.7174 Cc1ccc2ccc(C(=O)O)nc2n1 Amb3319374 [0,1,0,0,0,0|3,0,0]=4 1236 B15R2.7174 Cc1ccc2ccc(C(C)C)nc2c1 Amb24659912 [0,1,0,0,0,0|2,0,1]=4 1237 B15R2.7174 Cc1ccc2ccc(C(C)O)cc2n1 Amb19104652 [0,1,0,0,0,0|1,0,2]=4 1238 B15R2.7174 Cc1ccc2ccc(C(F)F)cc2c1 Amb28145827 [0,1,0,0,0,0|2,0,1]=4 1239 B15R2.7174 Cc1ccc2ccc(C(N)=O)cc2c1 Amb27778497 [0,1,0,0,0,0|1,0,0]=2 1240 B15R2.7174 Cc1ccc2ccc(C(N)=O)cc2n1 Amb19103403 [0,1,0,0,0,0|2,0,0]=3 1241 B15R2.7174 Cc1ccc2ccc(C(N)=O)nc2c1 Amb27834279 [0,1,0,0,0,0|2,0,0]=3 1242 B15R2.7174 Cc1ccc2ccc(C(N)=S)cc2n1 Amb19103528 [0,1,0,0,0,0|2,1,0]=4 1243 B15R2.7174 Cc1ccc2ccc([C@@H](C)N)cc2c1 Amb28423411 [0,1,0,0,0,0|1,0,1]=3 1244 B15R2.7174 Cc1ccc2ccc([N+](=O)[O-])cc2c1 Amb25806138 [0,1,0,0,0,0|2,0,0]=3 1245 B15R2.7174 Cc1ccc2cnc(C(=O)O)cc2c1 Amb18821749 [0,1,0,0,0,0|2,0,0]=3 1246 B15R2.7174 Cc1ccc2ncc(C(=O)O)cc2c1 Amb1994781 [0,1,0,0,0,0|2,0,0]=3 1247 B15R2.7174 Cc1ccc2ncc(C(C)C)cc2c1 Amb17335785 [0,1,0,0,0,0|2,0,1]=4 1248 B15R2.7174 Cc1ccc2nnc(C(=O)O)cc2c1 Amb17234494 [0,1,0,0,0,0|3,0,0]=4 1249 B15R2.7174 Cc1cnc2ccc(C(=O)O)cc2n1 Amb8009343 [0,1,0,0,0,0|3,0,0]=4 1250 B15R2.7174 Cc1cnc2ccc(C(C)C)cc2c1 Amb17335776 [0,1,0,0,0,0|2,0,1]=4 1251 B15R2.7174 Cc1cnc2ccc([N+](=O)[O-])cc2c1 Amb22753361 [0,1,0,0,0,0|3,0,0]=4 1252 B15R2.7174 FC(F)c1ccc2ccc(Br)cc2c1 Amb27181816 [0,1,0,0,0,0|2,0,1]=4 1253 B15R2.7174 FC(F)c1ccc2ccc(Cl)cc2c1 Amb25906211 [0,1,0,0,0,0|2,0,1]=4 1254 B15R2.7174 N=C(N)c1ccc2ccc(Cl)cc2n1 Amb17582264 [0,1,0,0,0,0|3,0,0]=4 1255 B15R2.7174 N=C(N)c1ccc2ccc(Cl)cc2n1 Amb25322505 [0,1,0,0,0,0|3,0,0]=4 1256 B15R2.7174 N=C(N)c1ccc2ccc(F)cc2n1 Amb27428894 [0,1,0,0,0,0|3,0,0]=4 1257 B15R2.7174 NC(=O)c1cc2cc(F)ccc2cn1 Amb28468154 [0,1,0,0,0,0|2,0,0]=3 1258 B15R2.7174 NC(=O)c1ccc2ccc(Cl)cc2n1 Amb17579179 [0,1,0,0,0,0|2,0,0]=3 1259 B15R2.7174 NC(=O)c1ccc2ncc(Br)cc2c1 Amb27666036 [0,1,0,0,0,0|2,0,0]=3 1260 B15R2.7174 NC(=O)c1cnc2ccc(Br)cc2c1 Amb20239487 [0,1,0,0,0,0|2,0,0]=3 1261 B15R2.7174 NC(=O)c1cnc2ccc(Cl)cc2c1 Amb20239469 [0,1,0,0,0,0|2,0,0]=3 1262 B15R2.7174 NC(=O)c1cnc2ccc(F)cc2c1 Amb20239482 [0,1,0,0,0,0|2,0,0]=3 1263 B15R2.7174 NC(=S)c1ccc2ccc(Br)cc2n1 Amb17586065 [0,1,0,0,0,0|2,1,0]=4 1264 B15R2.7174 NC(=S)c1ccc2ccc(Cl)cc2n1 Amb17580327 [0,1,0,0,0,0|2,1,0]=4 1265 B15R2.7174 NC(=S)c1ccc2ccc(F)cc2n1 Amb17579142 [0,1,0,0,0,0|2,1,0]=4 1266 B15R2.7174 Nc1cc2cc(C(=O)O)ccc2cn1 Amb24347247 [0,1,0,0,0,0|2,0,0]=3 1267 B15R2.7174 Nc1cc2nc(C(=O)O)ccc2cn1 Amb26027257 [0,1,0,0,0,0|3,0,0]=4 1268 B15R2.7174 Nc1ccc2ccc(B(O)O)cc2c1 Amb27948188 [0,1,0,0,0,0|2,0,1]=4 1269 B15R2.7174 Nc1ccc2ccc(C(=O)Cl)cc2c1 Amb25764589 [0,1,0,0,0,0|1,0,0]=2 1270 B15R2.7174 Nc1ccc2ccc(C(=O)O)cc2c1 Amb25785845 [0,1,0,0,0,0|1,0,0]=2 1271 B15R2.7174 Nc1ccc2ccc(C(=O)O)cc2n1 Amb22371948 [0,1,0,0,0,0|2,0,0]=3 1272 B15R2.7174 Nc1ccc2ccc(C(=O)O)nc2c1 Amb22899356 [0,1,0,0,0,0|2,0,0]=3 1273 B15R2.7174 Nc1ccc2ccc(C(=O)O)nc2n1 Amb24116369 [0,1,0,0,0,0|3,0,0]=4 1274 B15R2.7174 Nc1ccc2ccc(C(F)F)cc2c1 Amb27417607 [0,1,0,0,0,0|2,0,1]=4 1275 B15R2.7174 Nc1ccc2ccc([N+](=O)[O-])cc2c1 Amb25716418 [0,1,0,0,0,0|2,0,0]=3 1276 B15R2.7174 Nc1ccc2ccc([N+](=O)[O-])cc2n1 Amb23401121 [0,1,0,0,0,0|3,0,0]=4 1277 B15R2.7174 Nc1ccc2cnc(C(=O)O)cc2c1 Amb26008328 [0,1,0,0,0,0|2,0,0]=3 1278 B15R2.7174 Nc1ccc2ncc(C(=O)O)cc2c1 Amb24183734 [0,1,0,0,0,0|2,0,0]=3 1279 B15R2.7174 Nc1ccc2ncc(C(=O)O)cc2n1 Amb25240834 [0,1,0,0,0,0|3,0,0]=4 1280 B15R2.7174 Nc1cnc2ccc(C(=O)O)cc2c1 Amb22899406 [0,1,0,0,0,0|2,0,0]=3 1281 B15R2.7174 Nc1cnc2ccc([N+](=O)[O-])cc2c1 Amb22899396 [0,1,0,0,0,0|3,0,0]=4 1282 B15R2.7174 Nc1cnc2ncc(C(=O)O)cc2c1 Amb24110316 [0,1,0,0,0,0|3,0,0]=4 1283 B15R2.7174 O=C(Cl)C1=Cc2cc(Br)ccc2OC1 Amb27964567 [0,1,0,0,0,0|2,0,1]=4 1284 B15R2.7174 O=C(Cl)C1=Cc2cc(Cl)ccc2OC1 Amb2720378 [0,1,0,0,0,0|2,0,1]=4 1285 B15R2.7174 O=C(Cl)c1ccc2ccc(Br)cc2c1 Amb28368425 [0,1,0,0,0,0|1,0,0]=2 1286 B15R2.7174 O=C(Cl)c1ccc2ccc(Cl)cc2c1 Amb26594970 [0,1,0,0,0,0|1,0,0]=2 1287 B15R2.7174 O=C(Cl)c1ccc2ccc(F)cc2c1 Amb27238629 [0,1,0,0,0,0|1,0,0]=2 1288 B15R2.7174 O=C(Cl)c1ccc2ccc(F)cc2n1 Amb26469124 [0,1,0,0,0,0|2,0,0]=3 1289 B15R2.7174 O=C(Cl)c1ccc2ccc(I)cc2c1 Amb27419714 [0,1,0,0,0,0|1,0,0]=2 1290 B15R2.7174 O=C(Cl)c1ccc2ccc(O)cc2c1 Amb24446469 [0,1,0,0,0,0|1,0,0]=2 1291 B15R2.7174 O=C(Cl)c1ccc2ncc(O)cc2c1 Amb25798249 [0,1,0,0,0,0|2,0,0]=3 1292 B15R2.7174 O=C(Cl)c1cnc2ccc(Br)cc2c1 Amb28455379 [0,1,0,0,0,0|2,0,0]=3 1293 B15R2.7174 O=C(Cl)c1cnc2ccc(Br)cc2n1 Amb27642695 [0,1,0,0,0,0|3,0,0]=4 1294 B15R2.7174 O=C(O)C1=COc2ccc(O)cc2C1 Amb2698056 [0,1,0,0,0,0|2,0,1]=4 1295 B15R2.7174 O=C(O)C1=Cc2cc(Br)ccc2OC1 Amb1161540 [0,1,0,0,0,0|2,0,1]=4 1296 B15R2.7174 O=C(O)C1=Cc2cc(Cl)ccc2OC1 Amb1156347 [0,1,0,0,0,0|2,0,1]=4 1297 B15R2.7174 O=C(O)C1=Cc2cc(F)ccc2OC1 Amb23441817 [0,1,0,0,0,0|2,0,1]=4 1298 B15R2.7174 O=C(O)c1cc2cc(Br)ccc2cn1 Amb18698937 [0,1,0,0,0,0|2,0,0]=3 1299 B15R2.7174 O=C(O)c1cc2cc(Cl)ccc2cn1 Amb18778240 [0,1,0,0,0,0|2,0,0]=3 1300 B15R2.7174 O=C(O)c1cc2cc(Cl)ccc2nn1 Amb18776456 [0,1,0,0,0,0|3,0,0]=4 1301 B15R2.7174 O=C(O)c1cc2cc(F)ccc2cn1 Amb18818992 [0,1,0,0,0,0|2,0,0]=3 1302 B15R2.7174 O=C(O)c1cc2cc(F)ccc2nn1 Amb18817922 [0,1,0,0,0,0|3,0,0]=4 1303 B15R2.7174 O=C(O)c1cc2cc(I)ccc2nn1 Amb32416376 [0,1,0,0,0,0|3,0,0]=4 1304 B15R2.7174 O=C(O)c1ccc2ccc(Br)cc2c1 Amb25844534 [0,1,0,0,0,0|1,0,0]=2 1305 B15R2.7174 O=C(O)c1ccc2ccc(Br)cc2n1 Amb17583641 [0,1,0,0,0,0|2,0,0]=3 1306 B15R2.7174 O=C(O)c1ccc2ccc(Br)nc2n1 Amb24116365 [0,1,0,0,0,0|3,0,0]=4 1307 B15R2.7174 O=C(O)c1ccc2ccc(Cl)cc2n1 Amb17579230 [0,1,0,0,0,0|2,0,0]=3 1308 B15R2.7174 O=C(O)c1ccc2ccc(Cl)nc2c1 Amb22371894 [0,1,0,0,0,0|2,0,0]=3 1309 B15R2.7174 O=C(O)c1ccc2ccc(Cl)nc2n1 Amb24116364 [0,1,0,0,0,0|3,0,0]=4 1310 B15R2.7174 O=C(O)c1ccc2ccc(F)cc2c1 Amb27954638 [0,1,0,0,0,0|1,0,0]=2 1311 B15R2.7174 O=C(O)c1ccc2ccc(I)cc2c1 Amb24451596 [0,1,0,0,0,0|1,0,0]=2 1312 B15R2.7174 O=C(O)c1ccc2ccc(I)cc2n1 Amb27634063 [0,1,0,0,0,0|2,0,0]=3 1313 B15R2.7174 O=C(O)c1ccc2ccc(I)nc2n1 Amb24116366 [0,1,0,0,0,0|3,0,0]=4 1314 B15R2.7174 O=C(O)c1ccc2ccc(O)cc2c1 Amb17594868 [0,1,0,0,0,0|1,0,0]=2 1315 B15R2.7174 O=C(O)c1ccc2ccc(O)cc2n1 Amb27419427 [0,1,0,0,0,0|2,0,0]=3 1316 B15R2.7174 O=C(O)c1ccc2ccc(O)nc2c1 Amb22371947 [0,1,0,0,0,0|2,0,0]=3 1317 B15R2.7174 O=C(O)c1ccc2ccc(O)nc2n1 Amb24116370 [0,1,0,0,0,0|3,0,0]=4 1318 B15R2.7174 O=C(O)c1ccc2cnc(Cl)cc2c1 Amb22735850 [0,1,0,0,0,0|2,0,0]=3 1319 B15R2.7174 O=C(O)c1ccc2cnc(Cl)nc2c1 Amb25170341 [0,1,0,0,0,0|3,0,0]=4 1320 B15R2.7174 O=C(O)c1ccc2cnc(F)cc2c1 Amb26919840 [0,1,0,0,0,0|2,0,0]=3 1321 B15R2.7174 O=C(O)c1ccc2cnc(F)cc2n1 Amb28141539 [0,1,0,0,0,0|3,0,0]=4 1322 B15R2.7174 O=C(O)c1ccc2cnc(O)cc2c1 Amb25808961 [0,1,0,0,0,0|2,0,0]=3 1323 B15R2.7174 O=C(O)c1ccc2ncc(Br)cc2c1 Amb23449341 [0,1,0,0,0,0|2,0,0]=3 1324 B15R2.7174 O=C(O)c1ccc2ncc(Cl)cc2c1 Amb26378612 [0,1,0,0,0,0|2,0,0]=3 1325 B15R2.7174 O=C(O)c1ccc2ncc(F)cc2c1 Amb22899412 [0,1,0,0,0,0|2,0,0]=3 1326 B15R2.7174 O=C(O)c1ccc2ncc(O)cc2c1 Amb24183759 [0,1,0,0,0,0|2,0,0]=3 1327 B15R2.7174 O=C(O)c1cnc2ccc(Br)cc2c1 Amb1994206 [0,1,0,0,0,0|2,0,0]=3 1328 B15R2.7174 O=C(O)c1cnc2ccc(Cl)cc2c1 Amb1994764 [0,1,0,0,0,0|2,0,0]=3 1329 B15R2.7174 O=C(O)c1cnc2ccc(F)cc2c1 Amb1994256 [0,1,0,0,0,0|2,0,0]=3 1330 B15R2.7174 O=C(O)c1cnc2ccc(I)cc2c1 Amb25665674 [0,1,0,0,0,0|2,0,0]=3 1331 B15R2.7174 O=C(O)c1cnc2ccc(O)cc2c1 Amb22899329 [0,1,0,0,0,0|2,0,0]=3 1332 B15R2.7174 O=C(O)c1cnc2ccc(O)nc2c1 Amb31291271 [0,1,0,0,0,0|3,0,0]=4 1333 B15R2.7174 O=C(O)c1cnc2ncc(Br)cc2c1 Amb9174245 [0,1,0,0,0,0|3,0,0]=4 1334 B15R2.7174 O=C1C=Cc2ccc(C(=O)O)cc2O1 Amb24390786 [0,1,0,0,0,0|2,0,0]=3 1335 B15R2.7174 O=C1C=Cc2ccc([N+](=O)[O-])cc2N1 Amb22235441 [0,1,0,0,0,0|3,0,0]=4 1336 B15R2.7174 O=C1C=Cc2ccc([N+](=O)[O-])cc2O1 Amb19133409 [0,1,0,0,0,0|3,0,0]=4 1337 B15R2.7174 O=C1C=Nc2ccc(C(=O)O)cc2N1 Amb22170577 [0,1,0,0,0,0|3,0,0]=4 1338 B15R2.7174 O=S([O-])c1cnc2ccc(F)cc2c1 Amb32754807 [0,1,0,0,0,0|3,0,0]=4 1339 B15R2.7174 O=[N+]([O-])c1ccc2ccc(Br)cc2c1 Amb8439049 [0,1,0,0,0,0|2,0,0]=3 1340 B15R2.7174 O=[N+]([O-])c1ccc2ccc(Br)nc2c1 Amb23412024 [0,1,0,0,0,0|3,0,0]=4 1341 B15R2.7174 O=[N+]([O-])c1ccc2ccc(Cl)nc2c1 Amb21857533 [0,1,0,0,0,0|3,0,0]=4 1342 B15R2.7174 O=[N+]([O-])c1ccc2ccc(I)cc2c1 Amb27234026 [0,1,0,0,0,0|2,0,0]=3 1343 B15R2.7174 O=[N+]([O-])c1ccc2cnc(Cl)cc2c1 Amb22735841 [0,1,0,0,0,0|3,0,0]=4 1344 B15R2.7174 O=[N+]([O-])c1ccc2ncc(Br)cc2c1 Amb16233397 [0,1,0,0,0,0|3,0,0]=4 1345 B15R2.7174 O=[N+]([O-])c1ccc2ncc(Cl)cc2c1 Amb22751035 [0,1,0,0,0,0|3,0,0]=4 1346 B15R2.7174 O=[N+]([O-])c1ccc2ncc(I)cc2c1 Amb22751169 [0,1,0,0,0,0|3,0,0]=4 1347 B15R2.7174 O=[N+]([O-])c1ccc2ncc(O)cc2c1 Amb4416811 [0,1,0,0,0,0|3,0,0]=4 1348 B15R2.7174 O=[N+]([O-])c1cnc2ccc(Cl)cc2c1 Amb27183363 [0,1,0,0,0,0|3,0,0]=4 1349 B15R2.7174 OB(O)c1ccc2ccc(Br)cc2c1 Amb26974079 [0,1,0,0,0,0|2,0,1]=4 1350 B15R2.7174 OB(O)c1ccc2ccc(O)cc2c1 Amb24068757 [0,1,0,0,0,0|2,0,1]=4 1351 B15R2.7180 CC(=O)C1=Cc2ccc(Br)cc2OC1 Amb32756621 [0,1,0,0,0,0|1,0,1]=3 1352 B15R2.7180 CC(=O)C1=Cc2ccc(C)cc2OC1 Amb7094364 [0,1,0,0,0,0|1,0,1]=3 1353 B15R2.7180 CC(=O)C1=Cc2ccc(F)cc2OC1 Amb32756605 [0,1,0,0,0,0|1,0,1]=3 1354 B15R2.7180 CC(=O)N1C=Cc2cc(Cl)ccc2C1 Amb22750783 [0,1,0,0,0,0|1,0,1]=3 1355 B15R2.7180 CC(=O)c1cc2ccc(Br)cc2cn1 Amb23401587 [0,1,0,0,0,0|1,0,0]=2 1356 B15R2.7180 CC(=O)c1ccc2c(c1)C=CC(=O)N2 Amb18044343 [0,1,0,0,0,0|1,0,0]=2 1357 B15R2.7180 CC(=O)c1ccc2c(c1)CCC(=O)N2 Amb33545741 [0,1,0,0,0,0|1,0,2]=4 1358 B15R2.7180 CC(=O)c1ccc2c(c1)OCC(=O)N2 Amb9824615 [0,1,0,0,0,0|2,0,1]=4 1359 B15R2.7180 CC(=O)c1ccc2cc(Br)ccc2c1 Amb22756098 [0,1,0,0,0,0|0,0,0]=1 1360 B15R2.7180 CC(=O)c1ccc2cc(Br)cnc2c1 Amb30594181 [0,1,0,0,0,0|1,0,0]=2 1361 B15R2.7180 CC(=O)c1ccc2cc(C)ccc2c1 Amb3940081 [0,1,0,0,0,0|0,0,0]=1 1362 B15R2.7180 CC(=O)c1ccc2cc(Cl)cnc2c1 Amb30633832 [0,1,0,0,0,0|1,0,0]=2 1363 B15R2.7180 CC(=O)c1ccc2cc(F)ccc2c1 Amb25697435 [0,1,0,0,0,0|0,0,0]=1 1364 B15R2.7180 CC(=O)c1ccc2cc(F)ccc2n1 Amb25183222 [0,1,0,0,0,0|1,0,0]=2 1365 B15R2.7180 CC(=O)c1ccc2cc(F)cnc2c1 Amb30633826 [0,1,0,0,0,0|1,0,0]=2 1366 B15R2.7180 CC(=O)c1ccc2cc(N)ccc2c1 Amb22491882 [0,1,0,0,0,0|0,0,0]=1 1367 B15R2.7180 CC(=O)c1ccc2cc(N)cnc2c1 Amb30633830 [0,1,0,0,0,0|1,0,0]=2 1368 B15R2.7180 CC(=O)c1ccc2cc(O)ccc2c1 Amb18129611 [0,1,0,0,0,0|0,0,0]=1 1369 B15R2.7180 CC(=O)c1ccc2cc(O)cnc2c1 Amb30633825 [0,1,0,0,0,0|1,0,0]=2 1370 B15R2.7180 CC(=O)c1ccc2nc(C)ccc2c1 Amb19104815 [0,1,0,0,0,0|1,0,0]=2 1371 B15R2.7180 CC(=O)c1ccc2nc(Cl)ccc2c1 Amb23401127 [0,1,0,0,0,0|1,0,0]=2 1372 B15R2.7180 CC(=O)c1cnc2cc(Br)ccc2c1 Amb25812734 [0,1,0,0,0,0|1,0,0]=2 1373 B15R2.7180 CC(=O)c1cnc2cc(F)ccc2c1 Amb25244441 [0,1,0,0,0,0|1,0,0]=2 1374 B15R2.7180 CC(C)c1ccc2c(c1)C=CC(=O)N2 Amb18546029 [0,1,0,0,0,0|2,0,1]=4 1375 B15R2.7180 CC(C)c1ccc2c(c1)C=CC(=O)O2 Amb28202626 [0,1,0,0,0,0|2,0,1]=4 1376 B15R2.7180 CC(C)c1ccc2cc(Br)ccc2n1 Amb25269414 [0,1,0,0,0,0|2,0,1]=4 1377 B15R2.7180 CC(C)c1ccc2cc(Cl)ccc2n1 Amb26616008 [0,1,0,0,0,0|2,0,1]=4 1378 B15R2.7180 CC(C)c1ccc2cc(F)ccc2n1 Amb27207042 [0,1,0,0,0,0|2,0,1]=4 1379 B15R2.7180 CC(C)c1ccc2cc(N)ccc2n1 Amb27590313 [0,1,0,0,0,0|2,0,1]=4 1380 B15R2.7180 CC(C)c1ccc2cc(O)ccc2c1 Amb27189436 [0,1,0,0,0,0|1,0,1]=3 1381 B15R2.7180 CC(C)c1ccc2nc(S)ccc2c1 Amb24556799 [0,1,0,0,0,0|2,0,1]=4 1382 B15R2.7180 CC(N)c1ccc2cc(Br)ccc2c1 Amb27388142 [0,1,0,0,0,0|1,0,1]=3 1383 B15R2.7180 CC(N)c1ccc2cc(Br)ccc2n1 Amb27760066 [0,1,0,0,0,0|2,0,1]=4 1384 B15R2.7180 CC(N)c1ccc2cc(Cl)ccc2c1 Amb27206673 [0,1,0,0,0,0|1,0,1]=3 1385 B15R2.7180 CC(N)c1ccc2cc(F)ccc2n1 Amb28455342 [0,1,0,0,0,0|2,0,1]=4 1386 B15R2.7180 CC(N)c1ccc2cc(O)ccc2n1 Amb28076778 [0,1,0,0,0,0|2,0,1]=4 1387 B15R2.7180 CC(O)c1cc2ccc(Br)cc2cn1 Amb26530700 [0,1,0,0,0,0|1,0,2]=4 1388 B15R2.7180 CC(O)c1ccc2cc(Br)ccc2c1 Amb27604764 [0,1,0,0,0,0|0,0,2]=3 1389 B15R2.7180 CC(O)c1cnc2cc(N)ccc2c1 Amb25201840 [0,1,0,0,0,0|1,0,2]=4 1390 B15R2.7180 CC1=CCc2cc(C(N)=O)ccc2O1 Amb27760306 [0,1,0,0,0,0|2,0,1]=4 1391 B15R2.7180 CN(C)c1ccc2cc(Br)ccc2c1 Amb24370442 [0,1,0,0,0,0|2,0,0]=3 1392 B15R2.7180 CN(C)c1ccc2cc(I)ccc2c1 Amb28130077 [0,1,0,0,0,0|2,0,0]=3 1393 B15R2.7180 CN(C)c1ccc2cc(N)ccc2c1 Amb26844339 [0,1,0,0,0,0|2,0,0]=3 1394 B15R2.7180 CN(C)c1ccc2cc(N)ccc2c1 Amb32662695 [0,1,0,0,0,0|2,0,0]=3 1395 B15R2.7180 CN(C)c1ccc2cc(N)ccc2n1 Amb33529204 [0,1,0,0,0,0|3,0,0]=4 1396 B15R2.7180 CN(C)c1ccc2nc(Cl)ccc2c1 Amb23401125 [0,1,0,0,0,0|3,0,0]=4 1397 B15R2.7180 CS(=O)c1ccc2cc(O)ccc2c1 Amb28042086 [0,1,0,0,0,0|1,0,0]=2 1398 B15R2.7180 CS(=O)c1ccc2cc(O)ccc2n1 Amb28398619 [0,1,0,0,0,0|2,0,0]=3 1399 B15R2.7180 CS(=O)c1ccc2cc(O)cnc2c1 Amb27169551 [0,1,0,0,0,0|2,0,0]=3 1400 B15R2.7180 C[C@@H](N)c1ccc2c(c1)C=CC(=O)O2 Amb28345693 [0,1,0,0,0,0|2,0,1]=4 1401 B15R2.7180 C[C@@H](N)c1ccc2cc(Br)ccc2n1 Amb27247928 [0,1,0,0,0,0|2,0,1]=4 1402 B15R2.7180 C[C@@H](N)c1ccc2cc(O)ccc2c1 Amb27611800 [0,1,0,0,0,0|1,0,1]=3 1403 B15R2.7180 Cc1ccc2c(c1)C=CC(C(=O)O)C2 Amb17470696 [0,1,0,0,0,0|1,0,2]=4 1404 B15R2.7180 Cc1ccc2c(c1)OCC(C(=O)O)=C2 Amb7094362 [0,1,0,0,0,0|2,0,1]=4 1405 B15R2.7180 Cc1ccc2cc(B(O)O)ccc2c1 Amb25663935 [0,1,0,0,0,0|2,0,1]=4 1406 B15R2.7180 Cc1ccc2cc(C(=N)N)ccc2n1 Amb19103049 [0,1,0,0,0,0|3,0,0]=4 1407 B15R2.7180 Cc1ccc2cc(C(=O)Cl)ccc2c1 Amb27876530 [0,1,0,0,0,0|1,0,0]=2 1408 B15R2.7180 Cc1ccc2cc(C(=O)O)ccc2c1 Amb8438895 [0,1,0,0,0,0|1,0,0]=2 1409 B15R2.7180 Cc1ccc2cc(C(=O)O)ccc2n1 Amb2723429 [0,1,0,0,0,0|2,0,0]=3 1410 B15R2.7180 Cc1ccc2cc(C(=O)O)cnc2c1 Amb1994828 [0,1,0,0,0,0|2,0,0]=3 1411 B15R2.7180 Cc1ccc2cc(C(=O)O)ncc2c1 Amb18821750 [0,1,0,0,0,0|2,0,0]=3 1412 B15R2.7180 Cc1ccc2cc(C(=O)O)nnc2c1 Amb32416373 [0,1,0,0,0,0|3,0,0]=4 1413 B15R2.7180 Cc1ccc2cc(C(C)C)ccc2n1 Amb18353785 [0,1,0,0,0,0|2,0,1]=4 1414 B15R2.7180 Cc1ccc2cc(C(C)C)cnc2c1 Amb17335784 [0,1,0,0,0,0|2,0,1]=4 1415 B15R2.7180 Cc1ccc2cc(C(C)Cl)ccc2c1 Amb27230628 [0,1,0,0,0,0|1,0,1]=3 1416 B15R2.7180 Cc1ccc2cc(C(C)N)ccc2c1 Amb27411271 [0,1,0,0,0,0|1,0,1]=3 1417 B15R2.7180 Cc1ccc2cc(C(C)N)ccc2n1 Amb19104488 [0,1,0,0,0,0|2,0,1]=4 1418 B15R2.7180 Cc1ccc2cc(C(F)F)ccc2c1 Amb28122852 [0,1,0,0,0,0|2,0,1]=4 1419 B15R2.7180 Cc1ccc2cc(C(N)=O)ccc2n1 Amb19103402 [0,1,0,0,0,0|2,0,0]=3 1420 B15R2.7180 Cc1ccc2cc(C(N)=S)ccc2n1 Amb18352443 [0,1,0,0,0,0|2,1,0]=4 1421 B15R2.7180 Cc1ccc2cc(N(C)C)ccc2n1 Amb4011037 [0,1,0,0,0,0|3,0,0]=4 1422 B15R2.7180 Cc1ccc2cc(S(=O)[O-])ccc2c1 Amb32755336 [0,1,0,0,0,0|2,0,0]=3 1423 B15R2.7180 Cc1ccc2cc([C@@H](C)N)ccc2n1 Amb25062969 [0,1,0,0,0,0|2,0,1]=4 1424 B15R2.7180 Cc1ccc2cc([C@@H](C)O)ccc2n1 Amb33201070 [0,1,0,0,0,0|1,0,2]=4 1425 B15R2.7180 Cc1ccc2cc([C@H](C)N)ccc2n1 Amb24377134 [0,1,0,0,0,0|2,0,1]=4 1426 B15R2.7180 Cc1ccc2cc([C@H](C)O)ccc2c1 Amb28138685 [0,1,0,0,0,0|0,0,2]=3 1427 B15R2.7180 Cc1ccc2cc([C@H](C)O)ccc2n1 Amb33201069 [0,1,0,0,0,0|1,0,2]=4 1428 B15R2.7180 Cc1ccc2cc([N+](=O)[O-])ccc2c1 Amb5720274 [0,1,0,0,0,0|2,0,0]=3 1429 B15R2.7180 Cc1ccc2cc([N+](=O)[O-])ccc2n1 Amb1421551 [0,1,0,0,0,0|3,0,0]=4 1430 B15R2.7180 Cc1ccc2nc(C(=O)O)ccc2c1 Amb18649531 [0,1,0,0,0,0|2,0,0]=3 1431 B15R2.7180 Cc1ccc2nc(C(=O)O)cnc2c1 Amb28141883 [0,1,0,0,0,0|3,0,0]=4 1432 B15R2.7180 Cc1ccc2nc(C(=O)O)ncc2c1 Amb10241303 [0,1,0,0,0,0|3,0,0]=4 1433 B15R2.7180 Cc1ccc2nc(C(=O)O)ncc2c1 Amb28140775 [0,1,0,0,0,0|3,0,0]=4 1434 B15R2.7180 Cc1ccc2nc(C(C)C)ccc2c1 Amb25864514 [0,1,0,0,0,0|2,0,1]=4 1435 B15R2.7180 Cc1ccc2nc(C(N)=O)ccc2c1 Amb28146014 [0,1,0,0,0,0|2,0,0]=3 1436 B15R2.7180 Cc1ccc2nc(C(N)=S)ccc2c1 Amb6889470 [0,1,0,0,0,0|2,1,0]=4 1437 B15R2.7180 Cc1cnc2cc(C(=O)O)ccc2c1 Amb30633575 [0,1,0,0,0,0|2,0,0]=3 1438 B15R2.7180 Cc1cnc2cc(C(=O)O)ccc2n1 Amb22499546 [0,1,0,0,0,0|3,0,0]=4 1439 B15R2.7180 Cc1cnc2cc(N(C)C)ccc2c1 Amb27456396 [0,1,0,0,0,0|3,0,0]=4 1440 B15R2.7180 FC(F)c1ccc2cc(Br)ccc2c1 Amb27461993 [0,1,0,0,0,0|2,0,1]=4 1441 B15R2.7180 FC(F)c1ccc2cc(Cl)ccc2c1 Amb26588504 [0,1,0,0,0,0|2,0,1]=4 1442 B15R2.7180 Fc1ccc2cc(C(F)F)ccc2c1 Amb27433493 [0,1,0,0,0,0|2,0,1]=4 1443 B15R2.7180 N=C(N)c1ccc2cc(Cl)ccc2n1 Amb17582265 [0,1,0,0,0,0|3,0,0]=4 1444 B15R2.7180 N=C(N)c1ccc2cc(Cl)ccc2n1 Amb27467913 [0,1,0,0,0,0|3,0,0]=4 1445 B15R2.7180 N=C(N)c1ccc2cc(O)ccc2c1 Amb17607856 [0,1,0,0,0,0|2,0,0]=3 1446 B15R2.7180 N=C(N)c1ccc2cc(O)ccc2c1 Amb21864612 [0,1,0,0,0,0|2,0,0]=3 1447 B15R2.7180 N=C(N)c1ccc2cc(O)ccc2c1 Amb22523703 [0,1,0,0,0,0|2,0,0]=3 1448 B15R2.7180 NC(=O)c1ccc2c(c1)C=CC(=O)O2 Amb27865478 [0,1,0,0,0,0|2,0,0]=3 1449 B15R2.7180 NC(=O)c1ccc2cc(Br)ccc2c1 Amb25805278 [0,1,0,0,0,0|1,0,0]=2 1450 B15R2.7180 NC(=O)c1ccc2cc(Br)ccc2n1 Amb17583536 [0,1,0,0,0,0|2,0,0]=3 1451 B15R2.7180 NC(=O)c1ccc2cc(Br)cnc2c1 Amb30594177 [0,1,0,0,0,0|2,0,0]=3 1452 B15R2.7180 NC(=O)c1ccc2cc(Cl)ccc2c1 Amb24506539 [0,1,0,0,0,0|1,0,0]=2 1453 B15R2.7180 NC(=O)c1ccc2cc(Cl)ccc2n1 Amb17579180 [0,1,0,0,0,0|2,0,0]=3 1454 B15R2.7180 NC(=O)c1ccc2cc(F)ccc2n1 Amb17578514 [0,1,0,0,0,0|2,0,0]=3 1455 B15R2.7180 NC(=O)c1ccc2cc(I)ccc2n1 Amb17591614 [0,1,0,0,0,0|2,0,0]=3 1456 B15R2.7180 NC(=O)c1ccc2cc(N)ccc2c1 Amb26536208 [0,1,0,0,0,0|1,0,0]=2 1457 B15R2.7180 NC(=O)c1cnc2cc(Br)ccc2c1 Amb20239488 [0,1,0,0,0,0|2,0,0]=3 1458 B15R2.7180 NC(=O)c1cnc2cc(Cl)ccc2c1 Amb20239485 [0,1,0,0,0,0|2,0,0]=3 1459 B15R2.7180 NC(=O)c1cnc2cc(F)ccc2c1 Amb20239483 [0,1,0,0,0,0|2,0,0]=3 1460 B15R2.7180 NC(=S)c1ccc2cc(Br)ccc2n1 Amb17586063 [0,1,0,0,0,0|2,1,0]=4 1461 B15R2.7180 Nc1cc2ccc(C(=O)O)cc2cn1 Amb26858848 [0,1,0,0,0,0|2,0,0]=3 1462 B15R2.7180 Nc1cc2ccc([N+](=O)[O-])cc2cn1 Amb26419377 [0,1,0,0,0,0|3,0,0]=4 1463 B15R2.7180 Nc1ccc2cc(B(O)O)ccc2c1 Amb25167853 [0,1,0,0,0,0|2,0,1]=4 1464 B15R2.7180 Nc1ccc2cc(C(=O)O)ccc2c1 Amb2684494 [0,1,0,0,0,0|1,0,0]=2 1465 B15R2.7180 Nc1ccc2cc(C(=O)O)ccc2n1 Amb22234478 [0,1,0,0,0,0|2,0,0]=3 1466 B15R2.7180 Nc1ccc2cc(C(=O)O)cnc2c1 Amb25756648 [0,1,0,0,0,0|2,0,0]=3 1467 B15R2.7180 Nc1ccc2cc(C(=O)O)ncc2c1 Amb27410579 [0,1,0,0,0,0|2,0,0]=3 1468 B15R2.7180 Nc1ccc2cc(C(=O)[O-])ccc2c1 Amb33513210 [0,1,0,0,0,0|1,0,0]=2 1469 B15R2.7180 Nc1ccc2cc(C(F)F)ccc2c1 Amb26512617 [0,1,0,0,0,0|2,0,1]=4 1470 B15R2.7180 Nc1ccc2cc([N+](=O)[O-])ccc2c1 Amb4398559 [0,1,0,0,0,0|2,0,0]=3 1471 B15R2.7180 Nc1ccc2cc([N+](=O)[O-])ccc2n1 Amb7969884 [0,1,0,0,0,0|3,0,0]=4 1472 B15R2.7180 Nc1ccc2nc(C(=O)O)ccc2c1 Amb9767546 [0,1,0,0,0,0|2,0,0]=3 1473 B15R2.7180 Nc1ccc2nc(C(=O)O)cnc2c1 Amb27591346 [0,1,0,0,0,0|3,0,0]=4 1474 B15R2.7180 Nc1cnc2cc(C(=O)O)ccc2c1 Amb24183784 [0,1,0,0,0,0|2,0,0]=3 1475 B15R2.7180 Nc1cnc2cc(C(=O)O)ccc2n1 Amb27985842 [0,1,0,0,0,0|3,0,0]=4 1476 B15R2.7180 Nc1cnc2cc(C(=O)O)cnc2c1 Amb31291390 [0,1,0,0,0,0|3,0,0]=4 1477 B15R2.7180 Nc1cnc2cc([N+](=O)[O-])ccc2c1 Amb22899397 [0,1,0,0,0,0|3,0,0]=4 1478 B15R2.7180 Nc1ncc2cc(C(=O)O)ccc2n1 Amb32792187 [0,1,0,0,0,0|3,0,0]=4 1479 B15R2.7180 O=C(Cl)c1ccc2cc(Br)ccc2c1 Amb25738489 [0,1,0,0,0,0|1,0,0]=2 1480 B15R2.7180 O=C(Cl)c1ccc2cc(Cl)ccc2c1 Amb26346767 [0,1,0,0,0,0|1,0,0]=2 1481 B15R2.7180 O=C(Cl)c1ccc2cc(F)ccc2c1 Amb26855430 [0,1,0,0,0,0|1,0,0]=2 1482 B15R2.7180 O=C(Cl)c1ccc2cc(O)ccc2c1 Amb19930044 [0,1,0,0,0,0|1,0,0]=2 1483 B15R2.7180 O=C(Cl)c1ccc2cc(O)cnc2c1 Amb27667748 [0,1,0,0,0,0|2,0,0]=3 1484 B15R2.7180 O=C(Cl)c1ccc2nc(O)ccc2c1 Amb25096300 [0,1,0,0,0,0|2,0,0]=3 1485 B15R2.7180 O=C(Cl)c1cnc2cc(O)ccc2c1 Amb24743454 [0,1,0,0,0,0|2,0,0]=3 1486 B15R2.7180 O=C(O)C1=Cc2ccc(Br)cc2OC1 Amb26469076 [0,1,0,0,0,0|2,0,1]=4 1487 B15R2.7180 O=C(O)C1=Cc2ccc(Cl)cc2OC1 Amb26006976 [0,1,0,0,0,0|2,0,1]=4 1488 B15R2.7180 O=C(O)C1=Cc2ccc(F)cc2CC1 Amb27781538 [0,1,0,0,0,0|1,0,2]=4 1489 B15R2.7180 O=C(O)C1=Cc2ccc(F)cc2OC1 Amb27256641 [0,1,0,0,0,0|2,0,1]=4 1490 B15R2.7180 O=C(O)C1=Cc2ccc(O)cc2CC1 Amb21858665 [0,1,0,0,0,0|1,0,2]=4 1491 B15R2.7180 O=C(O)C1=Cc2ccc(O)cc2OC1 Amb1110913 [0,1,0,0,0,0|2,0,1]=4 1492 B15R2.7180 O=C(O)C1C=Cc2cc(Cl)ccc2C1 Amb17471331 [0,1,0,0,0,0|1,0,2]=4 1493 B15R2.7180 O=C(O)C1C=Cc2cc(F)ccc2C1 Amb17470809 [0,1,0,0,0,0|1,0,2]=4 1494 B15R2.7180 O=C(O)c1cc2ccc(Br)cc2cn1 Amb18698938 [0,1,0,0,0,0|2,0,0]=3 1495 B15R2.7180 O=C(O)c1cc2ccc(Br)cc2nn1 Amb32416375 [0,1,0,0,0,0|3,0,0]=4 1496 B15R2.7180 O=C(O)c1cc2ccc(Cl)cc2cn1 Amb18778241 [0,1,0,0,0,0|2,0,0]=3 1497 B15R2.7180 O=C(O)c1cc2ccc(Cl)cc2nn1 Amb23399688 [0,1,0,0,0,0|3,0,0]=4 1498 B15R2.7180 O=C(O)c1cc2ccc(F)cc2cn1 Amb18818994 [0,1,0,0,0,0|2,0,0]=3 1499 B15R2.7180 O=C(O)c1cc2ccc(F)cc2nn1 Amb27634204 [0,1,0,0,0,0|3,0,0]=4 1500 B15R2.7180 O=C(O)c1cc2ccc(O)cc2cn1 Amb18820646 [0,1,0,0,0,0|2,0,0]=3 1501 B15R2.7180 O=C(O)c1cc2cnc(Cl)cc2cn1 Amb28289260 [0,1,0,0,0,0|3,0,0]=4 1502 B15R2.7180 O=C(O)c1ccc2cc(Br)ccc2c1 Amb6366141 [0,1,0,0,0,0|1,0,0]=2 1503 B15R2.7180 O=C(O)c1ccc2cc(Br)ccc2n1 Amb5638143 [0,1,0,0,0,0|2,0,0]=3 1504 B15R2.7180 O=C(O)c1ccc2cc(Br)cnc2c1 Amb22899400 [0,1,0,0,0,0|2,0,0]=3 1505 B15R2.7180 O=C(O)c1ccc2cc(Br)cnc2n1 Amb24116489 [0,1,0,0,0,0|3,0,0]=4 1506 B15R2.7180 O=C(O)c1ccc2cc(Cl)ccc2c1 Amb18130977 [0,1,0,0,0,0|1,0,0]=2 1507 B15R2.7180 O=C(O)c1ccc2cc(Cl)ccc2n1 Amb9768227 [0,1,0,0,0,0|2,0,0]=3 1508 B15R2.7180 O=C(O)c1ccc2cc(Cl)cnc2c1 Amb24183751 [0,1,0,0,0,0|2,0,0]=3 1509 B15R2.7180 O=C(O)c1ccc2cc(Cl)ncc2c1 Amb22735851 [0,1,0,0,0,0|2,0,0]=3 1510 B15R2.7180 O=C(O)c1ccc2cc(F)ccc2c1 Amb6298704 [0,1,0,0,0,0|1,0,0]=2 1511 B15R2.7180 O=C(O)c1ccc2cc(F)ccc2n1 Amb9768226 [0,1,0,0,0,0|2,0,0]=3 1512 B15R2.7180 O=C(O)c1ccc2cc(F)cnc2c1 Amb24183772 [0,1,0,0,0,0|2,0,0]=3 1513 B15R2.7180 O=C(O)c1ccc2cc(I)ccc2n1 Amb5751259 [0,1,0,0,0,0|2,0,0]=3 1514 B15R2.7180 O=C(O)c1ccc2cc(O)ccc2c1 Amb1225046 [0,1,0,0,0,0|1,0,0]=2 1515 B15R2.7180 O=C(O)c1ccc2cc(O)ccc2n1 Amb22886608 [0,1,0,0,0,0|2,0,0]=3 1516 B15R2.7180 O=C(O)c1ccc2cc(O)cnc2c1 Amb24183773 [0,1,0,0,0,0|2,0,0]=3 1517 B15R2.7180 O=C(O)c1ccc2cc(S)ccc2c1 Amb27166092 [0,1,0,0,0,0|1,0,0]=2 1518 B15R2.7180 O=C(O)c1ccc2nc(Br)ccc2c1 Amb23412001 [0,1,0,0,0,0|2,0,0]=3 1519 B15R2.7180 O=C(O)c1ccc2nc(Cl)ccc2c1 Amb1127482 [0,1,0,0,0,0|2,0,0]=3 1520 B15R2.7180 O=C(O)c1ccc2nc(O)ccc2c1 Amb22015201 [0,1,0,0,0,0|2,0,0]=3 1521 B15R2.7180 O=C(O)c1cnc2cc(Br)ccc2c1 Amb1994207 [0,1,0,0,0,0|2,0,0]=3 1522 B15R2.7180 O=C(O)c1cnc2cc(Br)ccc2n1 Amb22054573 [0,1,0,0,0,0|3,0,0]=4 1523 B15R2.7180 O=C(O)c1cnc2cc(Br)cnc2c1 Amb22755327 [0,1,0,0,0,0|3,0,0]=4 1524 B15R2.7180 O=C(O)c1cnc2cc(Cl)ccc2c1 Amb1994235 [0,1,0,0,0,0|2,0,0]=3 1525 B15R2.7180 O=C(O)c1cnc2cc(Cl)ccc2n1 Amb18656339 [0,1,0,0,0,0|3,0,0]=4 1526 B15R2.7180 O=C(O)c1cnc2cc(F)ccc2c1 Amb1994819 [0,1,0,0,0,0|2,0,0]=3 1527 B15R2.7180 O=C(O)c1cnc2cc(F)ccc2n1 Amb25320967 [0,1,0,0,0,0|3,0,0]=4 1528 B15R2.7180 O=C(O)c1cnc2cc(I)ccc2c1 Amb27762691 [0,1,0,0,0,0|2,0,0]=3 1529 B15R2.7180 O=C(O)c1cnc2cc(O)ccc2c1 Amb22899349 [0,1,0,0,0,0|2,0,0]=3 1530 B15R2.7180 O=C(O)c1cnc2nc(Br)ccc2c1 Amb33306895 [0,1,0,0,0,0|3,0,0]=4 1531 B15R2.7180 O=C(O)c1cnc2nc(Cl)ccc2c1 Amb33306893 [0,1,0,0,0,0|3,0,0]=4 1532 B15R2.7180 O=C(O)c1cnc2nc(O)ccc2c1 Amb33306894 [0,1,0,0,0,0|3,0,0]=4 1533 B15R2.7180 O=C(O)c1ncc2cc(Cl)ccc2n1 Amb25168066 [0,1,0,0,0,0|3,0,0]=4 1534 B15R2.7180 O=C(O)c1ncc2cc(F)ccc2n1 Amb28245517 [0,1,0,0,0,0|3,0,0]=4 1535 B15R2.7180 O=C1C=Cc2cc(C(=O)Cl)ccc2O1 Amb28370055 [0,1,0,0,0,0|2,0,0]=3 1536 B15R2.7180 O=C1C=Cc2cc(C(=O)O)ccc2O1 Amb20620657 [0,1,0,0,0,0|2,0,0]=3 1537 B15R2.7180 O=C1C=Cc2cc(S(=O)[O-])ccc2N1 Amb32754125 [0,1,0,0,0,0|3,0,0]=4 1538 B15R2.7180 O=C1C=Cc2cc(S(=O)[O-])ccc2O1 Amb26844887 [0,1,0,0,0,0|3,0,0]=4 1539 B15R2.7180 O=C1C=Cc2cc([N+](=O)[O-])ccc2N1 Amb18035140 [0,1,0,0,0,0|3,0,0]=4 1540 B15R2.7180 O=C1C=Cc2cc([N+](=O)[O-])ccc2O1 Amb19654086 [0,1,0,0,0,0|3,0,0]=4 1541 B15R2.7180 O=C1C=Nc2cc(C(=O)O)ccc2N1 Amb19942996 [0,1,0,0,0,0|3,0,0]=4 1542 B15R2.7180 O=N(=O)c1ccc2nc(Cl)ccc2c1 Amb20620831 [0,1,0,0,0,0|3,0,0]=4 1543 B15R2.7180 O=S(O)c1ccc2cc(O)ccc2c1 Amb17595573 [0,1,0,0,0,0|2,0,0]=3 1544 B15R2.7180 O=S([O-])c1ccc2cc(Br)ccc2c1 Amb32754786 [0,1,0,0,0,0|2,0,0]=3 1545 B15R2.7180 O=S([O-])c1ccc2nc(Cl)ccc2c1 Amb26380198 [0,1,0,0,0,0|3,0,0]=4 1546 B15R2.7180 O=[N+]([O-])c1ccc2cc(Br)ccc2c1 Amb8439050 [0,1,0,0,0,0|2,0,0]=3 1547 B15R2.7180 O=[N+]([O-])c1ccc2cc(Br)cnc2c1 Amb22899395 [0,1,0,0,0,0|3,0,0]=4 1548 B15R2.7180 O=[N+]([O-])c1ccc2cc(Cl)ccc2c1 Amb27490387 [0,1,0,0,0,0|2,0,0]=3 1549 B15R2.7180 O=[N+]([O-])c1ccc2cc(Cl)ncc2c1 Amb26008087 [0,1,0,0,0,0|3,0,0]=4 1550 B15R2.7180 O=[N+]([O-])c1ccc2cc(I)ccc2c1 Amb4015478 [0,1,0,0,0,0|2,0,0]=3 1551 B15R2.7180 O=[N+]([O-])c1ccc2cc(O)ccc2c1 Amb26873811 [0,1,0,0,0,0|2,0,0]=3 1552 B15R2.7180 O=[N+]([O-])c1ccc2cc(O)cnc2c1 Amb28143052 [0,1,0,0,0,0|3,0,0]=4 1553 B15R2.7180 O=[N+]([O-])c1ccc2nc(Cl)ccc2c1 Amb2372589 [0,1,0,0,0,0|3,0,0]=4 1554 B15R2.7180 O=[N+]([O-])c1cnc2cc(Br)ccc2c1 Amb22495196 [0,1,0,0,0,0|3,0,0]=4 1555 B15R2.7180 O=[N+]([O-])c1cnc2cc(O)ccc2c1 Amb9830330 [0,1,0,0,0,0|3,0,0]=4 1556 B15R2.7180 OB(O)c1ccc2cc(Br)ccc2c1 Amb26839277 [0,1,0,0,0,0|2,0,1]=4 1557 B15R2.7180 OB(O)c1ccc2cc(Cl)ccc2c1 Amb24653848 [0,1,0,0,0,0|2,0,1]=4 1558 B15R2.7180 OB(O)c1ccc2cc(F)ccc2c1 Amb28283219 [0,1,0,0,0,0|2,0,1]=4 1559 B15R2.7180 OB(O)c1ccc2cc(I)ccc2c1 Amb27412523 [0,1,0,0,0,0|2,0,1]=4 1560 B15R2.7180 OB(O)c1ccc2cc(O)ccc2c1 Amb8629143 [0,1,0,0,0,0|2,0,1]=4 1561 B15R2.7180 Oc1ccc2cc(C(F)F)ccc2c1 Amb25861859 [0,1,0,0,0,0|2,0,1]=4 1562 B15R2.13598 CC(=O)C1=Cc2cccc(Br)c2OC1 Amb32756600 [0,1,0,0,0,0|1,0,1]=3 1563 B15R2.13598 CC(=O)C1=Cc2cccc(C)c2OC1 Amb32756596 [0,1,0,0,0,0|1,0,1]=3 1564 B15R2.13598 CC(=O)C1=Cc2cccc(Cl)c2OC1 Amb32756613 [0,1,0,0,0,0|1,0,1]=3 1565 B15R2.13598 CC(=O)C1=Cc2cccc(F)c2OC1 Amb32756588 [0,1,0,0,0,0|1,0,1]=3 1566 B15R2.13598 CC(=O)c1ccc2c(F)cccc2c1 Amb27634090 [0,1,0,0,0,0|0,0,0]=1 1567 B15R2.13598 CC(=O)c1ccc2c(O)cccc2c1 Amb28365234 [0,1,0,0,0,0|0,0,0]=1 1568 B15R2.13598 CC(=O)c1ccc2c(c1)NC=CC2=O Amb24442992 [0,1,0,0,0,0|1,0,0]=2 1569 B15R2.13598 CC(=O)c1cnc2c(F)cccc2c1 Amb27395473 [0,1,0,0,0,0|1,0,0]=2 1570 B15R2.13598 CC(C)c1ccc2c(Br)nccc2c1 Amb18560389 [0,1,0,0,0,0|2,0,1]=4 1571 B15R2.13598 CC(C)c1ccc2c(Cl)nccc2c1 Amb17216942 [0,1,0,0,0,0|2,0,1]=4 1572 B15R2.13598 CC(C)c1ccc2c(N)cncc2c1 Amb19110527 [0,1,0,0,0,0|2,0,1]=4 1573 B15R2.13598 CC(C)c1ccc2c(N)nccc2c1 Amb17216962 [0,1,0,0,0,0|2,0,1]=4 1574 B15R2.13598 CC(C)c1ccc2c(O)cccc2c1 Amb28351370 [0,1,0,0,0,0|1,0,1]=3 1575 B15R2.13598 CC(C)c1ccc2c(O)ccnc2c1 Amb27225032 [0,1,0,0,0,0|2,0,1]=4 1576 B15R2.13598 CC(C)c1ccc2c(O)cncc2c1 Amb19110667 [0,1,0,0,0,0|2,0,1]=4 1577 B15R2.13598 CC(C)c1ccc2c(O)nccc2c1 Amb18062795 [0,1,0,0,0,0|2,0,1]=4 1578 B15R2.13598 CC(N)c1ccc2c(Cl)cccc2c1 Amb27182571 [0,1,0,0,0,0|1,0,1]=3 1579 B15R2.13598 CC(N)c1ccc2c(O)cccc2c1 Amb27450699 [0,1,0,0,0,0|1,0,1]=3 1580 B15R2.13598 CC(N)c1ccc2c(O)cccc2n1 Amb28384577 [0,1,0,0,0,0|2,0,1]=4 1581 B15R2.13598 CC(O)c1cnc2c(F)cccc2c1 Amb24463062 [0,1,0,0,0,0|1,0,2]=4 1582 B15R2.13598 CN(C)c1ccc2c(Br)nccc2c1 Amb32684075 [0,1,0,0,0,0|3,0,0]=4 1583 B15R2.13598 CN(C)c1ccc2c(Cl)ccnc2c1 Amb5758954 [0,1,0,0,0,0|3,0,0]=4 1584 B15R2.13598 CN(C)c1ccc2c(Cl)nccc2c1 Amb32683998 [0,1,0,0,0,0|3,0,0]=4 1585 B15R2.13598 CN(C)c1ccc2c(O)ccnc2c1 Amb27966164 [0,1,0,0,0,0|3,0,0]=4 1586 B15R2.13598 CN(C)c1ccc2c(c1)C=CNC2=O Amb25906656 [0,1,0,0,0,0|3,0,0]=4 1587 B15R2.13598 CS(=O)c1ccc2c(N)cccc2c1 Amb27947528 [0,1,0,0,0,0|1,0,0]=2 1588 B15R2.13598 CS(=O)c1ccc2c(O)ccnc2c1 Amb28401571 [0,1,0,0,0,0|2,0,0]=3 1589 B15R2.13598 C[C@@H](N)c1ccc2c(Br)cccc2c1 Amb27182695 [0,1,0,0,0,0|1,0,1]=3 1590 B15R2.13598 C[C@@H](N)c1ccc2c(O)cccc2n1 Amb27398517 [0,1,0,0,0,0|2,0,1]=4 1591 B15R2.13598 C[C@H](N)c1ccc2c(N)cccc2n1 Amb27950530 [0,1,0,0,0,0|2,0,1]=4 1592 B15R2.13598 C[C@H](N)c1ccc2c(O)cccc2n1 Amb27963712 [0,1,0,0,0,0|2,0,1]=4 1593 B15R2.13598 Cc1cccc2cc(C(=O)O)ccc12 Amb27827635 [0,1,0,0,0,0|1,0,0]=2 1594 B15R2.13598 Cc1cccc2cc(C(=O)O)cnc12 Amb1994269 [0,1,0,0,0,0|2,0,0]=3 1595 B15R2.13598 Cc1cccc2cc(C(=O)O)ncc12 Amb18821748 [0,1,0,0,0,0|2,0,0]=3 1596 B15R2.13598 Cc1cccc2cc(C(=O)O)nnc12 Amb18821244 [0,1,0,0,0,0|3,0,0]=4 1597 B15R2.13598 Cc1cccc2cc(C(C)C)cnc12 Amb17335783 [0,1,0,0,0,0|2,0,1]=4 1598 B15R2.13598 Cc1cccc2cc(C(C)N)ccc12 Amb27858362 [0,1,0,0,0,0|1,0,1]=3 1599 B15R2.13598 Cc1cccc2cc(C(F)F)ccc12 Amb27388818 [0,1,0,0,0,0|2,0,1]=4 1600 B15R2.13598 Cc1cccc2nc(C(=O)O)ccc12 Amb28184216 [0,1,0,0,0,0|2,0,0]=3 1601 B15R2.13598 Cc1ccnc2cc(C(=N)N)ccc12 Amb19103067 [0,1,0,0,0,0|3,0,0]=4 1602 B15R2.13598 Cc1ccnc2cc(C(N)=O)ccc12 Amb18352323 [0,1,0,0,0,0|2,0,0]=3 1603 B15R2.13598 Cc1ccnc2cc([N+](=O)[O-])ccc12 Amb22495096 [0,1,0,0,0,0|3,0,0]=4 1604 B15R2.13598 Cc1cncc2cc(C(=O)O)cnc12 Amb23588590 [0,1,0,0,0,0|3,0,0]=4 1605 B15R2.13598 FC(F)c1ccc2c(Br)cccc2c1 Amb25364007 [0,1,0,0,0,0|2,0,1]=4 1606 B15R2.13598 FC(F)c1ccc2c(I)cccc2c1 Amb26858462 [0,1,0,0,0,0|2,0,1]=4 1607 B15R2.13598 Fc1cccc2cc(C(F)F)ccc12 Amb25064614 [0,1,0,0,0,0|2,0,1]=4 1608 B15R2.13598 NC(=O)c1ccc2c(Cl)ccnc2c1 Amb27234776 [0,1,0,0,0,0|2,0,0]=3 1609 B15R2.13598 NC(=O)c1ccc2c(N)ccnc2c1 Amb25762894 [0,1,0,0,0,0|2,0,0]=3 1610 B15R2.13598 NC(=O)c1ccc2c(N)ncnc2c1 Amb19375221 [0,1,0,0,0,0|3,0,0]=4 1611 B15R2.13598 NC(=O)c1ccc2c(O)ccnc2c1 Amb27242795 [0,1,0,0,0,0|2,0,0]=3 1612 B15R2.13598 NC(=O)c1ccc2c(c1)N=CNC2=O Amb20407541 [0,1,0,0,0,0|3,0,0]=4 1613 B15R2.13598 NC(=O)c1ccc2c(ccc[n+]2[O-])n1 Amb27420070 [0,1,0,0,0,0|3,0,0]=4 1614 B15R2.13598 NC(=O)c1cnc2c(Br)cccc2c1 Amb20239489 [0,1,0,0,0,0|2,0,0]=3 1615 B15R2.13598 NC(=O)c1cnc2c(Cl)cccc2c1 Amb20239486 [0,1,0,0,0,0|2,0,0]=3 1616 B15R2.13598 NC(=O)c1cnc2c(F)cccc2c1 Amb20239484 [0,1,0,0,0,0|2,0,0]=3 1617 B15R2.13598 Nc1cccc2cc(C(=O)Cl)ccc12 Amb25364151 [0,1,0,0,0,0|1,0,0]=2 1618 B15R2.13598 Nc1cccc2cc(C(=O)O)ccc12 Amb18129676 [0,1,0,0,0,0|1,0,0]=2 1619 B15R2.13598 Nc1cccc2cc(C(=O)O)cnc12 Amb25329607 [0,1,0,0,0,0|2,0,0]=3 1620 B15R2.13598 Nc1cccc2cc(C(F)F)ccc12 Amb24365339 [0,1,0,0,0,0|2,0,1]=4 1621 B15R2.13598 Nc1cccc2cc([N+](=O)[O-])ccc12 Amb27248855 [0,1,0,0,0,0|2,0,0]=3 1622 B15R2.13598 Nc1ccnc2cc(C(=O)O)cnc12 Amb31291262 [0,1,0,0,0,0|3,0,0]=4 1623 B15R2.13598 Nc1cncc2cc([N+](=O)[O-])ccc12 Amb26905774 [0,1,0,0,0,0|3,0,0]=4 1624 B15R2.13598 Nc1nccc2cc(C(=O)O)ccc12 Amb25905626 [0,1,0,0,0,0|2,0,0]=3 1625 B15R2.13598 Nc1nccc2cc(C(=O)O)ccc12 Amb32661110 [0,1,0,0,0,0|2,0,0]=3 1626 B15R2.13598 Nc1nccc2cc([N+](=O)[O-])ccc12 Amb25061198 [0,1,0,0,0,0|3,0,0]=4 1627 B15R2.13598 Nc1ncnc2cc(C(=O)O)ccc12 Amb18001012 [0,1,0,0,0,0|3,0,0]=4 1628 B15R2.13598 Nc1ncnc2cc(C(=O)O)ccc12 Amb33541267 [0,1,0,0,0,0|3,0,0]=4 1629 B15R2.13598 O=C(Cl)c1ccc2c(Br)cccc2c1 Amb27230464 [0,1,0,0,0,0|1,0,0]=2 1630 B15R2.13598 O=C(Cl)c1ccc2c(Cl)ncnc2c1 Amb25268303 [0,1,0,0,0,0|3,0,0]=4 1631 B15R2.13598 O=C(Cl)c1ccc2c(F)cccc2c1 Amb24680078 [0,1,0,0,0,0|1,0,0]=2 1632 B15R2.13598 O=C(Cl)c1ccc2c(O)cccc2c1 Amb25268176 [0,1,0,0,0,0|1,0,0]=2 1633 B15R2.13598 O=C(Cl)c1ccc2c(O)cccc2n1 Amb26469047 [0,1,0,0,0,0|2,0,0]=3 1634 B15R2.13598 O=C(Cl)c1ccc2c(O)ccnc2c1 Amb26538874 [0,1,0,0,0,0|2,0,0]=3 1635 B15R2.13598 O=C(Cl)c1cnc2c(O)cccc2c1 Amb24666534 [0,1,0,0,0,0|2,0,0]=3 1636 B15R2.13598 O=C(O)C1=CC2=CC=NC(=O)C2C=C1 Amb22739863 [0,1,0,0,0,0|2,0,1]=4 1637 B15R2.13598 O=C(O)C1=Cc2cccc(Br)c2OC1 Amb22277106 [0,1,0,0,0,0|2,0,1]=4 1638 B15R2.13598 O=C(O)C1=Cc2cccc(Cl)c2OC1 Amb24578823 [0,1,0,0,0,0|2,0,1]=4 1639 B15R2.13598 O=C(O)C1=Cc2cccc(F)c2OC1 Amb25908919 [0,1,0,0,0,0|2,0,1]=4 1640 B15R2.13598 O=C(O)C1=Cc2cccc(O)c2OC1 Amb2372205 [0,1,0,0,0,0|2,0,1]=4 1641 B15R2.13598 O=C(O)c1cc2cccc(Br)c2cn1 Amb18154629 [0,1,0,0,0,0|2,0,0]=3 1642 B15R2.13598 O=C(O)c1cc2cccc(Br)c2nn1 Amb32416374 [0,1,0,0,0,0|3,0,0]=4 1643 B15R2.13598 O=C(O)c1cc2cccc(Cl)c2cn1 Amb18778238 [0,1,0,0,0,0|2,0,0]=3 1644 B15R2.13598 O=C(O)c1cc2cccc(F)c2cn1 Amb18818993 [0,1,0,0,0,0|2,0,0]=3 1645 B15R2.13598 O=C(O)c1cc2cccc(I)c2nn1 Amb32416377 [0,1,0,0,0,0|3,0,0]=4 1646 B15R2.13598 O=C(O)c1ccc2c(Br)cccc2c1 Amb10602856 [0,1,0,0,0,0|1,0,0]=2 1647 B15R2.13598 O=C(O)c1ccc2c(Br)cccc2n1 Amb5751258 [0,1,0,0,0,0|2,0,0]=3 1648 B15R2.13598 O=C(O)c1ccc2c(Br)ccnc2c1 Amb27238632 [0,1,0,0,0,0|2,0,0]=3 1649 B15R2.13598 O=C(O)c1ccc2c(Br)cncc2c1 Amb30633828 [0,1,0,0,0,0|2,0,0]=3 1650 B15R2.13598 O=C(O)c1ccc2c(Br)nccc2c1 Amb19099723 [0,1,0,0,0,0|2,0,0]=3 1651 B15R2.13598 O=C(O)c1ccc2c(Cl)cccc2c1 Amb22728273 [0,1,0,0,0,0|1,0,0]=2 1652 B15R2.13598 O=C(O)c1ccc2c(Cl)cccc2n1 Amb22750500 [0,1,0,0,0,0|2,0,0]=3 1653 B15R2.13598 O=C(O)c1ccc2c(Cl)nccc2c1 Amb19099741 [0,1,0,0,0,0|2,0,0]=3 1654 B15R2.13598 O=C(O)c1ccc2c(Cl)ncnc2c1 Amb20241181 [0,1,0,0,0,0|3,0,0]=4 1655 B15R2.13598 O=C(O)c1ccc2c(F)cccc2c1 Amb24691598 [0,1,0,0,0,0|1,0,0]=2 1656 B15R2.13598 O=C(O)c1ccc2c(F)cccc2n1 Amb23448559 [0,1,0,0,0,0|2,0,0]=3 1657 B15R2.13598 O=C(O)c1ccc2c(O)cccc2c1 Amb17594867 [0,1,0,0,0,0|1,0,0]=2 1658 B15R2.13598 O=C(O)c1ccc2c(O)cccc2n1 Amb18650066 [0,1,0,0,0,0|2,0,0]=3 1659 B15R2.13598 O=C(O)c1ccc2c(O)ccnc2c1 Amb16233396 [0,1,0,0,0,0|2,0,0]=3 1660 B15R2.13598 O=C(O)c1ccc2c(O)nccc2c1 Amb22233886 [0,1,0,0,0,0|2,0,0]=3 1661 B15R2.13598 O=C(O)c1ccc2c(c1)C=NNC2=O Amb18650329 [0,1,0,0,0,0|3,0,0]=4 1662 B15R2.13598 O=C(O)c1ccc2c(c1)N=CNC2=O Amb19768295 [0,1,0,0,0,0|3,0,0]=4 1663 B15R2.13598 O=C(O)c1ccc2c(c1)N=CNC2=S Amb26890727 [0,1,0,0,0,0|3,0,0]=4 1664 B15R2.13598 O=C(O)c1ccc2c(c1)NC=CC2=O Amb21857055 [0,1,0,0,0,0|2,0,0]=3 1665 B15R2.13598 O=C(O)c1ccc2c(c1)OC=CC2=O Amb26655923 [0,1,0,0,0,0|2,0,0]=3 1666 B15R2.13598 O=C(O)c1ccc2c(ccc[n+]2[O-])c1 Amb24601789 [0,1,0,0,0,0|2,0,0]=3 1667 B15R2.13598 O=C(O)c1ccc2c(n1)C=CNC2=O Amb28046287 [0,1,0,0,0,0|3,0,0]=4 1668 B15R2.13598 O=C(O)c1cnc2c(Br)cccc2c1 Amb17621720 [0,1,0,0,0,0|2,0,0]=3 1669 B15R2.13598 O=C(O)c1cnc2c(Br)cccc2c1 Amb22436773 [0,1,0,0,0,0|2,0,0]=3 1670 B15R2.13598 O=C(O)c1cnc2c(Br)ccnc2c1 Amb31291263 [0,1,0,0,0,0|3,0,0]=4 1671 B15R2.13598 O=C(O)c1cnc2c(Br)cncc2c1 Amb31291387 [0,1,0,0,0,0|3,0,0]=4 1672 B15R2.13598 O=C(O)c1cnc2c(Cl)cccc2c1 Amb1994236 [0,1,0,0,0,0|2,0,0]=3 1673 B15R2.13598 O=C(O)c1cnc2c(Cl)ccnc2c1 Amb31291264 [0,1,0,0,0,0|3,0,0]=4 1674 B15R2.13598 O=C(O)c1cnc2c(Cl)nccc2c1 Amb27448083 [0,1,0,0,0,0|3,0,0]=4 1675 B15R2.13598 O=C(O)c1cnc2c(F)cccc2c1 Amb17621724 [0,1,0,0,0,0|2,0,0]=3 1676 B15R2.13598 O=C(O)c1cnc2c(O)cccc2c1 Amb22899347 [0,1,0,0,0,0|2,0,0]=3 1677 B15R2.13598 O=C(O)c1cnc2c(c1)C=CNC2=O Amb27945851 [0,1,0,0,0,0|3,0,0]=4 1678 B15R2.13598 O=C1C=COc2cc([N+](=O)[O-])ccc21 Amb28052823 [0,1,0,0,0,0|3,0,0]=4 1679 B15R2.13598 O=C1NC=Cc2cc([N+](=O)[O-])ccc21 Amb18349278 [0,1,0,0,0,0|3,0,0]=4 1680 B15R2.13598 O=[N+]([O-])c1ccc2c(Br)cccc2c1 Amb24379076 [0,1,0,0,0,0|2,0,0]=3 1681 B15R2.13598 O=[N+]([O-])c1ccc2c(Br)ccnc2c1 Amb19957674 [0,1,0,0,0,0|3,0,0]=4 1682 B15R2.13598 O=[N+]([O-])c1ccc2c(Br)cncc2c1 Amb26632572 [0,1,0,0,0,0|3,0,0]=4 1683 B15R2.13598 O=[N+]([O-])c1ccc2c(Br)nccc2c1 Amb18346652 [0,1,0,0,0,0|3,0,0]=4 1684 B15R2.13598 O=[N+]([O-])c1ccc2c(Cl)cccc2c1 Amb26644859 [0,1,0,0,0,0|2,0,0]=3 1685 B15R2.13598 O=[N+]([O-])c1ccc2c(Cl)ccnc2c1 Amb22490745 [0,1,0,0,0,0|3,0,0]=4 1686 B15R2.13598 O=[N+]([O-])c1ccc2c(Cl)nccc2c1 Amb19099746 [0,1,0,0,0,0|3,0,0]=4 1687 B15R2.13598 O=[N+]([O-])c1ccc2c(O)ccnc2c1 Amb22235385 [0,1,0,0,0,0|3,0,0]=4 1688 B15R2.13598 O=[N+]([O-])c1ccc2c(ccc[n+]2[O-])c1 Amb27417490 [0,1,0,0,0,0|3,0,0]=4 1689 B15R2.13598 O=[N+]([O-])c1cnc2c(Br)cccc2c1 Amb22495198 [0,1,0,0,0,0|3,0,0]=4 1690 B15R2.13598 OB(O)c1ccc2c(Cl)cccc2c1 Amb27750412 [0,1,0,0,0,0|2,0,1]=4 1691 B15R2.13598 OB(O)c1ccc2c(F)cccc2c1 Amb27848528 [0,1,0,0,0,0|2,0,1]=4 1692 B15R2.13598 Oc1cccc2cc(C(F)F)ccc12 Amb26495101 [0,1,0,0,0,0|2,0,1]=4 1693 B15R2.14951 CC(=O)C1=CC(=O)c2ccccc2O1 Amb27871263 [0,1,0,0,0,0|1,0,0]=2 1694 B15R2.14951 CC(=O)C1=Cc2ccccc2C(=O)N1 Amb27401122 [0,1,0,0,0,0|1,0,0]=2 1695 B15R2.14951 CC(=O)C1=Nc2ccccc2C(=O)N1 Amb22488765 [0,1,0,0,0,0|2,0,0]=3 1696 B15R2.14951 CC(=O)C1Cc2ccccc2C(=O)O1 Amb483250 [0,1,0,0,0,0|1,0,2]=4 1697 B15R2.14951 CC(=O)N1C=C(C)c2ccccc2C1 Amb27984383 [0,1,0,0,0,0|1,0,1]=3 1698 B15R2.14951 CC(=O)N1CC(=O)c2ccccc2C1 Amb18820473 [0,1,0,0,0,0|1,0,2]=4 1699 B15R2.14951 CC(=O)c1cc(C)c2ccccc2n1 Amb19104837 [0,1,0,0,0,0|1,0,0]=2 1700 B15R2.14951 CC(=O)c1cc(C)c2ncccc2c1 Amb18353478 [0,1,0,0,0,0|1,0,0]=2 1701 B15R2.14951 CC(=O)c1cc(F)c2ncccc2c1 Amb18353488 [0,1,0,0,0,0|1,0,0]=2 1702 B15R2.14951 CC(=O)c1cc(O)c2ccccc2c1 Amb27972988 [0,1,0,0,0,0|0,0,0]=1 1703 B15R2.14951 CC(=O)c1cc(O)c2ccccc2n1 Amb28289598 [0,1,0,0,0,0|1,0,0]=2 1704 B15R2.14951 CC(=O)c1nc(C)c2ccccc2n1 Amb28077357 [0,1,0,0,0,0|2,0,0]=3 1705 B15R2.14951 CC(=O)c1nc(Cl)c2ccccc2n1 Amb27224188 [0,1,0,0,0,0|2,0,0]=3 1706 B15R2.14951 CC(C)C1=CC(=O)c2ccccc2N1 Amb19046469 [0,1,0,0,0,0|2,0,1]=4 1707 B15R2.14951 CC(C)C1=CC(=O)c2ccccc2O1 Amb27491619 [0,1,0,0,0,0|2,0,1]=4 1708 B15R2.14951 CC(C)C1=CC(=S)c2ccccc2N1 Amb27882766 [0,1,0,0,0,0|2,0,1]=4 1709 B15R2.14951 CC(C)C1=Cc2ccccc2C(=O)N1 Amb27258941 [0,1,0,0,0,0|2,0,1]=4 1710 B15R2.14951 CC(C)c1cc(Br)c2ncccc2c1 Amb26524291 [0,1,0,0,0,0|2,0,1]=4 1711 B15R2.14951 CC(C)c1cc(I)c2ccccc2n1 Amb27186406 [0,1,0,0,0,0|2,0,1]=4 1712 B15R2.14951 CC(C)c1cc(N)c2ccccc2n1 Amb17234330 [0,1,0,0,0,0|2,0,1]=4 1713 B15R2.14951 CC(C)c1cc(O)c2ccccc2c1 Amb28131952 [0,1,0,0,0,0|1,0,1]=3 1714 B15R2.14951 CC(N)c1cc(Br)c2ccccc2c1 Amb27602717 [0,1,0,0,0,0|1,0,1]=3 1715 B15R2.14951 CC(N)c1cc(Cl)c2ccccc2c1 Amb27410369 [0,1,0,0,0,0|1,0,1]=3 1716 B15R2.14951 CC(N)c1cc(F)c2ccccc2c1 Amb27182623 [0,1,0,0,0,0|1,0,1]=3 1717 B15R2.14951 CC(N)c1cc(F)c2ncccc2c1 Amb19104604 [0,1,0,0,0,0|2,0,1]=4 1718 B15R2.14951 CC(N)c1cc(N)c2ccccc2c1 Amb27621477 [0,1,0,0,0,0|1,0,1]=3 1719 B15R2.14951 CC(N)c1cc(O)c2ccccc2n1 Amb27759267 [0,1,0,0,0,0|2,0,1]=4 1720 B15R2.14951 CC(O)C1=CC(=O)c2ccccc2O1 Amb28190316 [0,1,0,0,0,0|1,0,2]=4 1721 B15R2.14951 CC(O)c1cc(F)c2ncccc2c1 Amb18353414 [0,1,0,0,0,0|1,0,2]=4 1722 B15R2.14951 CC(O)c1cc(N)c2ccccc2n1 Amb35741694 [0,1,0,0,0,0|1,0,2]=4 1723 B15R2.14951 CC1=CC(C(N)=O)Cc2ccccc21 Amb27975486 [0,1,0,0,0,0|1,0,2]=4 1724 B15R2.14951 CN(C)C1=Cc2ccccc2C(=O)N1 Amb19372687 [0,1,0,0,0,0|3,0,0]=4 1725 B15R2.14951 CN(C)c1cc(N)c2ccccc2n1 Amb4056201 [0,1,0,0,0,0|3,0,0]=4 1726 B15R2.14951 CN(C)c1cc(O)c2ccccc2n1 Amb18649929 [0,1,0,0,0,0|3,0,0]=4 1727 B15R2.14951 CN(C)c1cc2ccccc2c(N)n1 Amb24310332 [0,1,0,0,0,0|3,0,0]=4 1728 B15R2.14951 CN1CC(C(=O)O)=Cc2ccccc21 Amb27815684 [0,1,0,0,0,0|2,0,1]=4 1729 B15R2.14951 CN1CC(C(N)=O)=Cc2ccccc21 Amb27657583 [0,1,0,0,0,0|2,0,1]=4 1730 B15R2.14951 CS(=O)C1=Nc2ccccc2C(=O)N1 Amb28047318 [0,1,0,0,0,0|3,0,0]=4 1731 B15R2.14951 CS(=O)c1cc(O)c2ccccc2c1 Amb28190944 [0,1,0,0,0,0|1,0,0]=2 1732 B15R2.14951 C[C@@H](N)c1cc(Cl)c2ccccc2c1 Amb27450704 [0,1,0,0,0,0|1,0,1]=3 1733 B15R2.14951 C[C@@H](N)c1cc(O)c2ccccc2n1 Amb28054795 [0,1,0,0,0,0|2,0,1]=4 1734 B15R2.14951 C[C@H](N)c1cc(O)c2ccccc2n1 Amb28122926 [0,1,0,0,0,0|2,0,1]=4 1735 B15R2.14951 Cc1cc(B(O)O)cc2ccccc12 Amb27778047 [0,1,0,0,0,0|2,0,1]=4 1736 B15R2.14951 Cc1cc(C(=N)N)cc2cccnc12 Amb18352084 [0,1,0,0,0,0|3,0,0]=4 1737 B15R2.14951 Cc1cc(C(=N)N)nc2ccccc12 Amb18352021 [0,1,0,0,0,0|3,0,0]=4 1738 B15R2.14951 Cc1cc(C(=N)N)nc2ccccc12 Amb22277055 [0,1,0,0,0,0|3,0,0]=4 1739 B15R2.14951 Cc1cc(C(=O)Cl)cc2ccccc12 Amb24451765 [0,1,0,0,0,0|1,0,0]=2 1740 B15R2.14951 Cc1cc(C(=O)O)cc2ccccc12 Amb18649291 [0,1,0,0,0,0|1,0,0]=2 1741 B15R2.14951 Cc1cc(C(=O)O)cc2cccnc12 Amb1113661 [0,1,0,0,0,0|2,0,0]=3 1742 B15R2.14951 Cc1cc(C(=O)O)nc2ccccc12 Amb1136719 [0,1,0,0,0,0|2,0,0]=3 1743 B15R2.14951 Cc1cc(C(C)C)nc2ccccc12 Amb27491251 [0,1,0,0,0,0|2,0,1]=4 1744 B15R2.14951 Cc1cc(C(C)N)cc2ccccc12 Amb28047701 [0,1,0,0,0,0|1,0,1]=3 1745 B15R2.14951 Cc1cc(C(C)O)nc2ccccc12 Amb18353385 [0,1,0,0,0,0|1,0,2]=4 1746 B15R2.14951 Cc1cc(C(F)F)cc2ccccc12 Amb26522219 [0,1,0,0,0,0|2,0,1]=4 1747 B15R2.14951 Cc1cc(C(N)=O)cc2cccnc12 Amb18352343 [0,1,0,0,0,0|2,0,0]=3 1748 B15R2.14951 Cc1cc(C(N)=S)cc2cccnc12 Amb19103599 [0,1,0,0,0,0|2,1,0]=4 1749 B15R2.14951 Cc1cc(C(N)=S)nc2ccccc12 Amb18352456 [0,1,0,0,0,0|2,1,0]=4 1750 B15R2.14951 Cc1cc([C@@H](C)N)cc2ccccc12 Amb27410549 [0,1,0,0,0,0|1,0,1]=3 1751 B15R2.14951 Cc1cc([N+](=O)[O-])cc2ccccc12 Amb25873306 [0,1,0,0,0,0|2,0,0]=3 1752 B15R2.14951 Cc1cc([N+](=O)[O-])cc2cccnc12 Amb1117741 [0,1,0,0,0,0|3,0,0]=4 1753 B15R2.14951 Cc1cc([N+](=O)[O-])cc2ncccc12 Amb2616419 [0,1,0,0,0,0|3,0,0]=4 1754 B15R2.14951 Cc1nc(C(=O)O)cc2ccccc12 Amb18821735 [0,1,0,0,0,0|2,0,0]=3 1755 B15R2.14951 Cc1nc(C(N)=O)cc2ccccc12 Amb22495051 [0,1,0,0,0,0|2,0,0]=3 1756 B15R2.14951 Cc1nc(C(N)=O)nc2ccccc12 Amb27803819 [0,1,0,0,0,0|3,0,0]=4 1757 B15R2.14951 FC(F)c1cc(Br)c2ccccc2c1 Amb27605993 [0,1,0,0,0,0|2,0,1]=4 1758 B15R2.14951 FC(F)c1cc(I)c2ccccc2c1 Amb25363946 [0,1,0,0,0,0|2,0,1]=4 1759 B15R2.14951 Fc1cc(C(F)F)cc2ccccc12 Amb25724302 [0,1,0,0,0,0|2,0,1]=4 1760 B15R2.14951 N=C(N)c1cc2ccccc2c(Cl)n1 Amb22289488 [0,1,0,0,0,0|3,0,0]=4 1761 B15R2.14951 N=C(N)c1cc2ccccc2c(O)n1 Amb27603223 [0,1,0,0,0,0|3,0,0]=4 1762 B15R2.14951 NC(=O)C1=CC(=O)c2ccccc2N1 Amb19059645 [0,1,0,0,0,0|2,0,0]=3 1763 B15R2.14951 NC(=O)C1=Cc2ccccc2C(=O)N1 Amb19071525 [0,1,0,0,0,0|2,0,0]=3 1764 B15R2.14951 NC(=O)c1cc(Br)c2ccccc2c1 Amb26980068 [0,1,0,0,0,0|1,0,0]=2 1765 B15R2.14951 NC(=O)c1cc(Br)c2nccnc2c1 Amb23452591 [0,1,0,0,0,0|3,0,0]=4 1766 B15R2.14951 NC(=O)c1cc(N)c2ccccc2n1 Amb23401633 [0,1,0,0,0,0|2,0,0]=3 1767 B15R2.14951 NC(=O)c1cc(N)c2ncccc2c1 Amb19375284 [0,1,0,0,0,0|2,0,0]=3 1768 B15R2.14951 NC(=O)c1cc(O)c2ccccc2c1 Amb18649500 [0,1,0,0,0,0|1,0,0]=2 1769 B15R2.14951 NC(=O)c1cc2ccccc2c(Cl)n1 Amb9215288 [0,1,0,0,0,0|2,0,0]=3 1770 B15R2.14951 NC(=S)C1=CC(=O)c2ccccc2O1 Amb27239138 [0,1,0,0,0,0|2,1,0]=4 1771 B15R2.14951 NC(=S)c1cc(F)c2ncccc2c1 Amb18352503 [0,1,0,0,0,0|2,1,0]=4 1772 B15R2.14951 Nc1cc(C(=O)Cl)cc2ccccc12 Amb25195379 [0,1,0,0,0,0|1,0,0]=2 1773 B15R2.14951 Nc1cc(C(=O)O)cc2ccccc12 Amb26522218 [0,1,0,0,0,0|1,0,0]=2 1774 B15R2.14951 Nc1cc(C(=O)O)cc2cccnc12 Amb19375283 [0,1,0,0,0,0|2,0,0]=3 1775 B15R2.14951 Nc1cc(C(=O)O)cc2cccnc12 Amb32992203 [0,1,0,0,0,0|2,0,0]=3 1776 B15R2.14951 Nc1cc(C(=O)O)nc2ccccc12 Amb20622894 [0,1,0,0,0,0|2,0,0]=3 1777 B15R2.14951 Nc1cc([N+](=O)[O-])cc2ccccc12 Amb4015475 [0,1,0,0,0,0|2,0,0]=3 1778 B15R2.14951 Nc1nc(C(=O)O)cc2ccccc12 Amb8856674 [0,1,0,0,0,0|2,0,0]=3 1779 B15R2.14951 O=C(Cl)C1=CC(=O)c2ccccc2O1 Amb21937110 [0,1,0,0,0,0|2,0,0]=3 1780 B15R2.14951 O=C(Cl)C1=Cc2ccccc2C(=O)S1 Amb20652900 [0,1,0,0,0,0|2,0,0]=3 1781 B15R2.14951 O=C(Cl)C1=Nc2ccccc2C(=O)N1 Amb27600000 [0,1,0,0,0,0|3,0,0]=4 1782 B15R2.14951 O=C(Cl)c1cc(Br)c2ccccc2c1 Amb27625124 [0,1,0,0,0,0|1,0,0]=2 1783 B15R2.14951 O=C(Cl)c1cc(Cl)c2ccccc2c1 Amb27790825 [0,1,0,0,0,0|1,0,0]=2 1784 B15R2.14951 O=C(Cl)c1cc(Cl)c2ccccc2n1 Amb28061180 [0,1,0,0,0,0|2,0,0]=3 1785 B15R2.14951 O=C(Cl)c1cc(F)c2ccccc2c1 Amb27412423 [0,1,0,0,0,0|1,0,0]=2 1786 B15R2.14951 O=C(Cl)c1cc(I)c2ccccc2c1 Amb26583634 [0,1,0,0,0,0|1,0,0]=2 1787 B15R2.14951 O=C(Cl)c1cc(O)c2ccccc2c1 Amb28188505 [0,1,0,0,0,0|1,0,0]=2 1788 B15R2.14951 O=C(Cl)c1cc(O)c2ccccc2n1 Amb27388831 [0,1,0,0,0,0|2,0,0]=3 1789 B15R2.14951 O=C(Cl)c1cc(O)c2ncccc2c1 Amb24427775 [0,1,0,0,0,0|2,0,0]=3 1790 B15R2.14951 O=C(Cl)c1cc2ccccc2c(Cl)n1 Amb27670044 [0,1,0,0,0,0|2,0,0]=3 1791 B15R2.14951 O=C(O)C1=CC(=O)c2ccccc2N1 Amb18947772 [0,1,0,0,0,0|2,0,0]=3 1792 B15R2.14951 O=C(O)C1=CC(=O)c2ccccc2O1 Amb19078126 [0,1,0,0,0,0|2,0,0]=3 1793 B15R2.14951 O=C(O)C1=CC(=O)c2ccccc2S1 Amb18655342 [0,1,0,0,0,0|2,0,0]=3 1794 B15R2.14951 O=C(O)C1=CC(=O)c2ccncc2O1 Amb24739832 [0,1,0,0,0,0|3,0,0]=4 1795 B15R2.14951 O=C(O)C1=CC(=O)c2ccncc2O1 Amb28653252 [0,1,0,0,0,0|3,0,0]=4 1796 B15R2.14951 O=C(O)C1=Cc2ccccc2C(=O)N1 Amb18650079 [0,1,0,0,0,0|2,0,0]=3 1797 B15R2.14951 O=C(O)C1=Cc2ccccc2C(=O)O1 Amb18528332 [0,1,0,0,0,0|2,0,0]=3 1798 B15R2.14951 O=C(O)C1=Cc2ccccc2C(=O)S1 Amb18525898 [0,1,0,0,0,0|2,0,0]=3 1799 B15R2.14951 O=C(O)C1=Cc2cccnc2C(=O)O1 Amb28468136 [0,1,0,0,0,0|3,0,0]=4 1800 B15R2.14951 O=C(O)C1=NC(=O)c2ccccc2N1 Amb22496798 [0,1,0,0,0,0|3,0,0]=4 1801 B15R2.14951 O=C(O)C1=Nc2ccccc2C(=O)N1 Amb18650327 [0,1,0,0,0,0|3,0,0]=4 1802 B15R2.14951 O=C(O)c1cc(=O)c2ccccc2o1 Amb1151866 [0,1,0,0,0,0|2,0,0]=3 1803 B15R2.14951 O=C(O)c1cc(Br)c2ccccc2c1 Amb25905972 [0,1,0,0,0,0|1,0,0]=2 1804 B15R2.14951 O=C(O)c1cc(Br)c2ccccc2n1 Amb8630976 [0,1,0,0,0,0|2,0,0]=3 1805 B15R2.14951 O=C(O)c1cc(Br)c2ncccc2c1 Amb23440676 [0,1,0,0,0,0|2,0,0]=3 1806 B15R2.14951 O=C(O)c1cc(Br)c2nccnc2c1 Amb23589147 [0,1,0,0,0,0|3,0,0]=4 1807 B15R2.14951 O=C(O)c1cc(Cl)c2ccccc2c1 Amb18130978 [0,1,0,0,0,0|1,0,0]=2 1808 B15R2.14951 O=C(O)c1cc(Cl)c2ccccc2n1 Amb3964636 [0,1,0,0,0,0|2,0,0]=3 1809 B15R2.14951 O=C(O)c1cc(Cl)c2ccncc2n1 Amb33743424 [0,1,0,0,0,0|3,0,0]=4 1810 B15R2.14951 O=C(O)c1cc(Cl)c2ncccc2c1 Amb24435384 [0,1,0,0,0,0|2,0,0]=3 1811 B15R2.14951 O=C(O)c1cc(Cl)c2nccnc2c1 Amb23452598 [0,1,0,0,0,0|3,0,0]=4 1812 B15R2.14951 O=C(O)c1cc(F)c2ccccc2c1 Amb22547565 [0,1,0,0,0,0|1,0,0]=2 1813 B15R2.14951 O=C(O)c1cc(F)c2ncccc2c1 Amb19103824 [0,1,0,0,0,0|2,0,0]=3 1814 B15R2.14951 O=C(O)c1cc(I)c2ccccc2c1 Amb26568389 [0,1,0,0,0,0|1,0,0]=2 1815 B15R2.14951 O=C(O)c1cc(O)c2ccccc2c1 Amb17594866 [0,1,0,0,0,0|1,0,0]=2 1816 B15R2.14951 O=C(O)c1cc(O)c2ccccc2n1 Amb2616921 [0,1,0,0,0,0|2,0,0]=3 1817 B15R2.14951 O=C(O)c1cc(O)c2ccccc2n1 Amb3430462 [0,1,0,0,0,0|2,0,0]=3 1818 B15R2.14951 O=C(O)c1cc(O)c2cccnc2c1 Amb24432782 [0,1,0,0,0,0|2,0,0]=3 1819 B15R2.14951 O=C(O)c1cc(O)c2ncccc2c1 Amb24521157 [0,1,0,0,0,0|2,0,0]=3 1820 B15R2.14951 O=C(O)c1cc(S)c2ccccc2n1 Amb27977166 [0,1,0,0,0,0|2,0,0]=3 1821 B15R2.14951 O=C(O)c1cc2ccccc2[n+]([O-])c1 Amb2389949 [0,1,0,0,0,0|2,0,0]=3 1822 B15R2.14951 O=C(O)c1cc2ccccc2c(Br)n1 Amb18154620 [0,1,0,0,0,0|2,0,0]=3 1823 B15R2.14951 O=C(O)c1cc2ccccc2c(Cl)n1 Amb6893036 [0,1,0,0,0,0|2,0,0]=3 1824 B15R2.14951 O=C(O)c1cc2ccccc2c(O)n1 Amb18949298 [0,1,0,0,0,0|2,0,0]=3 1825 B15R2.14951 O=C(O)c1cc2ccccc2c(S)n1 Amb18945339 [0,1,0,0,0,0|2,0,0]=3 1826 B15R2.14951 O=C(O)c1cc2cccnc2c(O)n1 Amb25906468 [0,1,0,0,0,0|3,0,0]=4 1827 B15R2.14951 O=C(O)c1cc2ccncc2c(O)n1 Amb26847221 [0,1,0,0,0,0|3,0,0]=4 1828 B15R2.14951 O=C(O)c1nc(S)c2ccccc2n1 Amb27667462 [0,1,0,0,0,0|3,0,0]=4 1829 B15R2.14951 O=C([O-])C1=CC(=O)c2ccccc2O1 Amb22489449 [0,1,0,0,0,0|2,0,0]=3 1830 B15R2.14951 O=S([O-])c1cc(Cl)c2ccccc2c1 Amb32754591 [0,1,0,0,0,0|2,0,0]=3 1831 B15R2.14951 O=[N+]([O-])c1cc(Br)c2ccccc2c1 Amb8439030 [0,1,0,0,0,0|2,0,0]=3 1832 B15R2.14951 O=[N+]([O-])c1cc(Br)c2ncccc2c1 Amb27664228 [0,1,0,0,0,0|3,0,0]=4 1833 B15R2.14951 O=[N+]([O-])c1cc(Cl)c2ccccc2c1 Amb24756466 [0,1,0,0,0,0|2,0,0]=3 1834 B15R2.14951 O=[N+]([O-])c1cc(Cl)c2ncccc2c1 Amb3990731 [0,1,0,0,0,0|3,0,0]=4 1835 B15R2.14951 O=[N+]([O-])c1cc(F)c2ccccc2c1 Amb22494607 [0,1,0,0,0,0|2,0,0]=3 1836 B15R2.14951 O=[N+]([O-])c1cc(I)c2ccccc2c1 Amb25766652 [0,1,0,0,0,0|2,0,0]=3 1837 B15R2.14951 O=[N+]([O-])c1cc(O)c2ccccc2c1 Amb27963662 [0,1,0,0,0,0|2,0,0]=3 1838 B15R2.14951 O=[N+]([O-])c1cc(O)c2ncccc2c1 Amb1033001 [0,1,0,0,0,0|3,0,0]=4 1839 B15R2.14951 OB(O)c1cc(Br)c2ccccc2c1 Amb27402655 [0,1,0,0,0,0|2,0,1]=4 1840 B15R2.14951 OB(O)c1cc(F)c2ccccc2c1 Amb25374941 [0,1,0,0,0,0|2,0,1]=4 1841 B15R2.14951 Oc1cc(C(F)F)cc2ccccc12 Amb28204421 [0,1,0,0,0,0|2,0,1]=4 1842 B15R2.61353 CC(=O)C1=Cc2c(Br)cccc2OC1 Amb32756623 [0,1,0,0,0,0|1,0,1]=3 1843 B15R2.61353 CC(=O)C1=Cc2c(C)cccc2OC1 Amb32756607 [0,1,0,0,0,0|1,0,1]=3 1844 B15R2.61353 CC(=O)C1=Cc2c(Cl)cccc2OC1 Amb32756595 [0,1,0,0,0,0|1,0,1]=3 1845 B15R2.61353 CC(=O)N1C=Cc2cccc(Cl)c2C1 Amb22750782 [0,1,0,0,0,0|1,0,1]=3 1846 B15R2.61353 CC(=O)N1C=Cc2cccc(O)c2C1 Amb22054198 [0,1,0,0,0,0|1,0,1]=3 1847 B15R2.61353 CC(=O)c1ccc2c(c1)C(=O)CCC2 Amb24744357 [0,1,0,0,0,0|0,0,3]=4 1848 B15R2.61353 CC(=O)c1ccc2c(c1)C(=O)NCC2 Amb24525930 [0,1,0,0,0,0|1,0,2]=4 1849 B15R2.61353 CC(=O)c1ccc2cccc(F)c2c1 Amb27445657 [0,1,0,0,0,0|0,0,0]=1 1850 B15R2.61353 CC(=O)c1ccc2cccc(F)c2n1 Amb27413526 [0,1,0,0,0,0|1,0,0]=2 1851 B15R2.61353 CC(=O)c1ccc2cccc(O)c2n1 Amb28201300 [0,1,0,0,0,0|1,0,0]=2 1852 B15R2.61353 CC(=O)c1ccc2ccnc(N)c2c1 Amb28254500 [0,1,0,0,0,0|1,0,0]=2 1853 B15R2.61353 CC(=O)c1ccc2nccc(C)c2c1 Amb19104828 [0,1,0,0,0,0|1,0,0]=2 1854 B15R2.61353 CC(C)c1ccc2c(c1)C(=O)C=CN2 Amb19046467 [0,1,0,0,0,0|2,0,1]=4 1855 B15R2.61353 CC(C)c1ccc2c(c1)C(=O)C=CO2 Amb26851951 [0,1,0,0,0,0|2,0,1]=4 1856 B15R2.61353 CC(C)c1ccc2c(c1)C(=O)NC=C2 Amb19100719 [0,1,0,0,0,0|2,0,1]=4 1857 B15R2.61353 CC(C)c1ccc2cccc(Cl)c2n1 Amb24473292 [0,1,0,0,0,0|2,0,1]=4 1858 B15R2.61353 CC(C)c1ccc2cccc(F)c2n1 Amb25190863 [0,1,0,0,0,0|2,0,1]=4 1859 B15R2.61353 CC(C)c1ccc2cccc(O)c2c1 Amb18061791 [0,1,0,0,0,0|1,0,1]=3 1860 B15R2.61353 CC(C)c1ccc2cccc(S)c2n1 Amb27638727 [0,1,0,0,0,0|2,0,1]=4 1861 B15R2.61353 CC(C)c1ccc2ccnc(Br)c2c1 Amb18346643 [0,1,0,0,0,0|2,0,1]=4 1862 B15R2.61353 CC(C)c1ccc2ccnc(Cl)c2c1 Amb19099739 [0,1,0,0,0,0|2,0,1]=4 1863 B15R2.61353 CC(C)c1ccc2ccnc(N)c2c1 Amb27948893 [0,1,0,0,0,0|2,0,1]=4 1864 B15R2.61353 CC(C)c1ccc2nccc(Br)c2c1 Amb28045476 [0,1,0,0,0,0|2,0,1]=4 1865 B15R2.61353 CC(C)c1ccc2nccc(Cl)c2c1 Amb9393500 [0,1,0,0,0,0|2,0,1]=4 1866 B15R2.61353 CC(C)c1ccc2nccc(N)c2c1 Amb18946808 [0,1,0,0,0,0|2,0,1]=4 1867 B15R2.61353 CC(N)c1ccc2cccc(F)c2c1 Amb27398221 [0,1,0,0,0,0|1,0,1]=3 1868 B15R2.61353 CC(O)c1ccc2ccnc(Cl)c2c1 Amb28052835 [0,1,0,0,0,0|1,0,2]=4 1869 B15R2.61353 CC1=CCCc2ccc(C(=O)O)cc21 Amb27408995 [0,1,0,0,0,0|1,0,2]=4 1870 B15R2.61353 CN(C)c1cc2c(F)cccc2cn1 Amb32697394 [0,1,0,0,0,0|3,0,0]=4 1871 B15R2.61353 CN(C)c1ccc2c(c1)C(=O)C=CN2 Amb19071617 [0,1,0,0,0,0|3,0,0]=4 1872 B15R2.61353 CN(C)c1ccc2c(c1)C(=O)NC=C2 Amb19100720 [0,1,0,0,0,0|3,0,0]=4 1873 B15R2.61353 CN(C)c1ccc2cccc(N)c2c1 Amb27668959 [0,1,0,0,0,0|2,0,0]=3 1874 B15R2.61353 CN(C)c1ccc2cccc(O)c2n1 Amb8506025 [0,1,0,0,0,0|3,0,0]=4 1875 B15R2.61353 CN(C)c1ccc2ccnc(Br)c2c1 Amb18346645 [0,1,0,0,0,0|3,0,0]=4 1876 B15R2.61353 CN(C)c1ccc2ccnc(Cl)c2c1 Amb19099740 [0,1,0,0,0,0|3,0,0]=4 1877 B15R2.61353 CN(C)c1ccc2nccc(N)c2c1 Amb18946817 [0,1,0,0,0,0|3,0,0]=4 1878 B15R2.61353 CS(=O)c1ccc2ccnc(N)c2c1 Amb27871391 [0,1,0,0,0,0|2,0,0]=3 1879 B15R2.61353 C[C@@H](N)c1ccc2cccc(Cl)c2c1 Amb27952979 [0,1,0,0,0,0|1,0,1]=3 1880 B15R2.61353 C[C@@H](N)c1ccc2cccc(Cl)c2n1 Amb27263760 [0,1,0,0,0,0|2,0,1]=4 1881 B15R2.61353 C[C@@H](N)c1ccc2cccc(F)c2c1 Amb28203454 [0,1,0,0,0,0|1,0,1]=3 1882 B15R2.61353 C[C@@H](N)c1ccc2cccc(O)c2c1 Amb27600172 [0,1,0,0,0,0|1,0,1]=3 1883 B15R2.61353 C[C@@H](N)c1ccc2cccc(O)c2n1 Amb27882681 [0,1,0,0,0,0|2,0,1]=4 1884 B15R2.61353 C[C@H](N)c1ccc2cccc(N)c2n1 Amb28313671 [0,1,0,0,0,0|2,0,1]=4 1885 B15R2.61353 Cc1cccc2c1CC(C(=O)O)C=C2 Amb17470697 [0,1,0,0,0,0|1,0,2]=4 1886 B15R2.61353 Cc1cccc2ccc(B(O)O)cc12 Amb25063394 [0,1,0,0,0,0|2,0,1]=4 1887 B15R2.61353 Cc1cccc2ccc(C(=O)Cl)cc12 Amb24679077 [0,1,0,0,0,0|1,0,0]=2 1888 B15R2.61353 Cc1cccc2ccc(C(=O)O)cc12 Amb26979796 [0,1,0,0,0,0|1,0,0]=2 1889 B15R2.61353 Cc1cccc2ccc(C(=O)O)nc12 Amb18649532 [0,1,0,0,0,0|2,0,0]=3 1890 B15R2.61353 Cc1cccc2ccc(C(C)C)cc12 Amb22731827 [0,1,0,0,0,0|1,0,1]=3 1891 B15R2.61353 Cc1cccc2ccc(C(C)C)nc12 Amb26039849 [0,1,0,0,0,0|2,0,1]=4 1892 B15R2.61353 Cc1cccc2ccc(C(F)F)cc12 Amb25129057 [0,1,0,0,0,0|2,0,1]=4 1893 B15R2.61353 Cc1cccc2ccc([N+](=O)[O-])cc12 Amb28255489 [0,1,0,0,0,0|2,0,0]=3 1894 B15R2.61353 Cc1cccc2cnc(C(=O)O)cc12 Amb18821747 [0,1,0,0,0,0|2,0,0]=3 1895 B15R2.61353 Cc1ccnc2ccc(C(=N)N)cc12 Amb19103065 [0,1,0,0,0,0|3,0,0]=4 1896 B15R2.61353 Cc1ccnc2ccc(C(=O)O)cc12 Amb28991244 [0,1,0,0,0,0|2,0,0]=3 1897 B15R2.61353 Cc1ccnc2ccc(C(=O)O)cc12 Amb33542396 [0,1,0,0,0,0|2,0,0]=3 1898 B15R2.61353 Cc1ccnc2ccc(C(C)C)cc12 Amb18354139 [0,1,0,0,0,0|2,0,1]=4 1899 B15R2.61353 Cc1ccnc2ccc(C(C)N)cc12 Amb18353332 [0,1,0,0,0,0|2,0,1]=4 1900 B15R2.61353 Cc1ccnc2ccc(C(N)=O)cc12 Amb1196057 [0,1,0,0,0,0|2,0,0]=3 1901 B15R2.61353 Cc1ccnc2ccc([N+](=O)[O-])cc12 Amb27968453 [0,1,0,0,0,0|3,0,0]=4 1902 B15R2.61353 FC(F)c1ccc2cccc(Br)c2c1 Amb24663170 [0,1,0,0,0,0|2,0,1]=4 1903 B15R2.61353 N=C(N)c1ccc2cccc(Br)c2n1 Amb26929061 [0,1,0,0,0,0|3,0,0]=4 1904 B15R2.61353 N=C(N)c1ccc2cccc(Cl)c2n1 Amb17582263 [0,1,0,0,0,0|3,0,0]=4 1905 B15R2.61353 N=C(N)c1ccc2cccc(F)c2c1 Amb27847141 [0,1,0,0,0,0|2,0,0]=3 1906 B15R2.61353 N=C(N)c1ccc2cccc(F)c2n1 Amb17580490 [0,1,0,0,0,0|3,0,0]=4 1907 B15R2.61353 N=C(N)c1ccc2cccc(F)c2n1 Amb24627261 [0,1,0,0,0,0|3,0,0]=4 1908 B15R2.61353 N=C(N)c1ccc2cccc(O)c2n1 Amb27413508 [0,1,0,0,0,0|3,0,0]=4 1909 B15R2.61353 NC(=O)c1ccc2c(c1)C(=O)N=CN2 Amb22494805 [0,1,0,0,0,0|3,0,0]=4 1910 B15R2.61353 NC(=O)c1ccc2cccc(Br)c2n1 Amb17583537 [0,1,0,0,0,0|2,0,0]=3 1911 B15R2.61353 NC(=O)c1ccc2cccc(Cl)c2n1 Amb10834839 [0,1,0,0,0,0|2,0,0]=3 1912 B15R2.61353 NC(=O)c1ccc2cccc(F)c2n1 Amb11060138 [0,1,0,0,0,0|2,0,0]=3 1913 B15R2.61353 NC(=O)c1ccc2cccc(N)c2n1 Amb21980372 [0,1,0,0,0,0|2,0,0]=3 1914 B15R2.61353 NC(=O)c1ccc2cccc(O)c2n1 Amb8506030 [0,1,0,0,0,0|2,0,0]=3 1915 B15R2.61353 NC(=O)c1ccc2nccc(Cl)c2c1 Amb23589255 [0,1,0,0,0,0|2,0,0]=3 1916 B15R2.61353 NC(=S)c1ccc2cccc(Br)c2n1 Amb17586064 [0,1,0,0,0,0|2,1,0]=4 1917 B15R2.61353 NC(=S)c1ccc2cccc(Cl)c2n1 Amb17580326 [0,1,0,0,0,0|2,1,0]=4 1918 B15R2.61353 NC(=S)c1ccc2cccc(F)c2n1 Amb17579140 [0,1,0,0,0,0|2,1,0]=4 1919 B15R2.61353 Nc1cccc2ccc(C(=O)Cl)cc12 Amb25689629 [0,1,0,0,0,0|1,0,0]=2 1920 B15R2.61353 Nc1cccc2ccc(C(=O)O)cc12 Amb18129677 [0,1,0,0,0,0|1,0,0]=2 1921 B15R2.61353 Nc1cccc2ccc(C(=O)O)nc12 Amb32434759 [0,1,0,0,0,0|2,0,0]=3 1922 B15R2.61353 Nc1cccc2ccc(C(=O)O)nc12 Amb605306 [0,1,0,0,0,0|2,0,0]=3 1923 B15R2.61353 Nc1cccc2cnc(C(=O)O)cc12 Amb22496219 [0,1,0,0,0,0|2,0,0]=3 1924 B15R2.61353 Nc1cccc2ncc(C(=O)O)cc12 Amb22899320 [0,1,0,0,0,0|2,0,0]=3 1925 B15R2.61353 Nc1ccnc2ccc(C(=O)O)cc12 Amb13883942 [0,1,0,0,0,0|2,0,0]=3 1926 B15R2.61353 Nc1cncc2ccc(C(=O)O)cc12 Amb30633579 [0,1,0,0,0,0|2,0,0]=3 1927 B15R2.61353 Nc1nccc2ccc([N+](=O)[O-])cc12 Amb22739916 [0,1,0,0,0,0|3,0,0]=4 1928 B15R2.61353 O=C(Cl)c1ccc2c(c1)C(=O)NC=N2 Amb27869692 [0,1,0,0,0,0|3,0,0]=4 1929 B15R2.61353 O=C(Cl)c1ccc2cccc(Br)c2c1 Amb27643374 [0,1,0,0,0,0|1,0,0]=2 1930 B15R2.61353 O=C(Cl)c1ccc2cccc(Cl)c2c1 Amb27201703 [0,1,0,0,0,0|1,0,0]=2 1931 B15R2.61353 O=C(Cl)c1ccc2cccc(F)c2c1 Amb25703833 [0,1,0,0,0,0|1,0,0]=2 1932 B15R2.61353 O=C(Cl)c1ccc2cccc(I)c2c1 Amb27412506 [0,1,0,0,0,0|1,0,0]=2 1933 B15R2.61353 O=C(Cl)c1ccc2cccc(O)c2c1 Amb24336344 [0,1,0,0,0,0|1,0,0]=2 1934 B15R2.61353 O=C(Cl)c1ccc2cccc(O)c2n1 Amb28398041 [0,1,0,0,0,0|2,0,0]=3 1935 B15R2.61353 O=C(Cl)c1ccc2ccnc(Cl)c2c1 Amb27625164 [0,1,0,0,0,0|2,0,0]=3 1936 B15R2.61353 O=C(Cl)c1cnc2cccc(O)c2c1 Amb25177686 [0,1,0,0,0,0|2,0,0]=3 1937 B15R2.61353 O=C(O)C1=CN2C(=O)C=CN=C2C=C1 Amb27806864 [0,1,0,0,0,0|3,0,0]=4 1938 B15R2.61353 O=C(O)C1=COc2cccc(Cl)c2C1 Amb27654986 [0,1,0,0,0,0|2,0,1]=4 1939 B15R2.61353 O=C(O)C1=Cc2c(Br)cccc2OC1 Amb16230768 [0,1,0,0,0,0|2,0,1]=4 1940 B15R2.61353 O=C(O)C1C=Cc2cccc(Cl)c2C1 Amb17471332 [0,1,0,0,0,0|1,0,2]=4 1941 B15R2.61353 O=C(O)C1C=Cc2cccc(F)c2C1 Amb17470810 [0,1,0,0,0,0|1,0,2]=4 1942 B15R2.61353 O=C(O)c1cc2c(Br)cccc2cn1 Amb18698936 [0,1,0,0,0,0|2,0,0]=3 1943 B15R2.61353 O=C(O)c1cc2c(Cl)cccc2cn1 Amb18778239 [0,1,0,0,0,0|2,0,0]=3 1944 B15R2.61353 O=C(O)c1cc2c(F)cccc2cn1 Amb27202094 [0,1,0,0,0,0|2,0,0]=3 1945 B15R2.61353 O=C(O)c1ccc2c(c1)C(=O)C=CN2 Amb22057566 [0,1,0,0,0,0|2,0,0]=3 1946 B15R2.61353 O=C(O)c1ccc2c(c1)C(=O)N=CN2 Amb20241663 [0,1,0,0,0,0|3,0,0]=4 1947 B15R2.61353 O=C(O)c1ccc2ccc[n+]([O-])c2c1 Amb24370360 [0,1,0,0,0,0|2,0,0]=3 1948 B15R2.61353 O=C(O)c1ccc2cccc(Br)c2c1 Amb33549130 [0,1,0,0,0,0|1,0,0]=2 1949 B15R2.61353 O=C(O)c1ccc2cccc(Br)c2n1 Amb9768228 [0,1,0,0,0,0|2,0,0]=3 1950 B15R2.61353 O=C(O)c1ccc2cccc(Cl)c2c1 Amb25679838 [0,1,0,0,0,0|1,0,0]=2 1951 B15R2.61353 O=C(O)c1ccc2cccc(Cl)c2n1 Amb9768229 [0,1,0,0,0,0|2,0,0]=3 1952 B15R2.61353 O=C(O)c1ccc2cccc(F)c2c1 Amb25299188 [0,1,0,0,0,0|1,0,0]=2 1953 B15R2.61353 O=C(O)c1ccc2cccc(F)c2n1 Amb9768230 [0,1,0,0,0,0|2,0,0]=3 1954 B15R2.61353 O=C(O)c1ccc2cccc(I)c2c1 Amb27599685 [0,1,0,0,0,0|1,0,0]=2 1955 B15R2.61353 O=C(O)c1ccc2cccc(I)c2n1 Amb5751260 [0,1,0,0,0,0|2,0,0]=3 1956 B15R2.61353 O=C(O)c1ccc2cccc(O)c2c1 Amb17594869 [0,1,0,0,0,0|1,0,0]=2 1957 B15R2.61353 O=C(O)c1ccc2cccc(O)c2n1 Amb2227505 [0,1,0,0,0,0|2,0,0]=3 1958 B15R2.61353 O=C(O)c1ccc2ccnc(Br)c2c1 Amb18346648 [0,1,0,0,0,0|2,0,0]=3 1959 B15R2.61353 O=C(O)c1ccc2ccnc(Cl)c2c1 Amb19099743 [0,1,0,0,0,0|2,0,0]=3 1960 B15R2.61353 O=C(O)c1ccc2ccnc(Cl)c2n1 Amb33620605 [0,1,0,0,0,0|3,0,0]=4 1961 B15R2.61353 O=C(O)c1ccc2ccnc(O)c2c1 Amb22233887 [0,1,0,0,0,0|2,0,0]=3 1962 B15R2.61353 O=C(O)c1ccc2ccnc(O)c2n1 Amb33743360 [0,1,0,0,0,0|3,0,0]=4 1963 B15R2.61353 O=C(O)c1ccc2cncc(Br)c2c1 Amb28434913 [0,1,0,0,0,0|2,0,0]=3 1964 B15R2.61353 O=C(O)c1ccc2cncc(Br)c2n1 Amb2691398 [0,1,0,0,0,0|3,0,0]=4 1965 B15R2.61353 O=C(O)c1ccc2nccc(Br)c2c1 Amb19957668 [0,1,0,0,0,0|2,0,0]=3 1966 B15R2.61353 O=C(O)c1ccc2nccc(Cl)c2c1 Amb20241693 [0,1,0,0,0,0|2,0,0]=3 1967 B15R2.61353 O=C(O)c1ccc2ncnc(Cl)c2c1 Amb27979826 [0,1,0,0,0,0|3,0,0]=4 1968 B15R2.61353 O=C(O)c1cnc2cccc(Br)c2c1 Amb22899335 [0,1,0,0,0,0|2,0,0]=3 1969 B15R2.61353 O=C(O)c1cnc2cccc(Cl)c2c1 Amb22899334 [0,1,0,0,0,0|2,0,0]=3 1970 B15R2.61353 O=C(O)c1cnc2cccc(F)c2c1 Amb22899333 [0,1,0,0,0,0|2,0,0]=3 1971 B15R2.61353 O=C(O)c1cnc2cccc(O)c2c1 Amb22899340 [0,1,0,0,0,0|2,0,0]=3 1972 B15R2.61353 O=C(O)c1cnc2ccnc(Cl)c2c1 Amb28429698 [0,1,0,0,0,0|3,0,0]=4 1973 B15R2.61353 O=C([O-])c1ccc2cccc(O)c2n1 Amb33513224 [0,1,0,0,0,0|2,0,0]=3 1974 B15R2.61353 O=C1C=CNc2ccc([N+](=O)[O-])cc21 Amb21857528 [0,1,0,0,0,0|3,0,0]=4 1975 B15R2.61353 O=C1C=COc2ccc([N+](=O)[O-])cc21 Amb21991728 [0,1,0,0,0,0|3,0,0]=4 1976 B15R2.61353 O=C1NC=Cc2ccc([N+](=O)[O-])cc21 Amb19100728 [0,1,0,0,0,0|3,0,0]=4 1977 B15R2.61353 O=S([O-])c1ccc2ccnc(Cl)c2c1 Amb32754489 [0,1,0,0,0,0|3,0,0]=4 1978 B15R2.61353 O=[N+]([O-])c1ccc2ccc[n+]([O-])c2c1 Amb22500153 [0,1,0,0,0,0|3,0,0]=4 1979 B15R2.61353 O=[N+]([O-])c1ccc2cccc(Br)c2c1 Amb26522419 [0,1,0,0,0,0|2,0,0]=3 1980 B15R2.61353 O=[N+]([O-])c1ccc2cccc(Cl)c2c1 Amb16228185 [0,1,0,0,0,0|2,0,0]=3 1981 B15R2.61353 O=[N+]([O-])c1ccc2cccc(O)c2c1 Amb22899131 [0,1,0,0,0,0|2,0,0]=3 1982 B15R2.61353 O=[N+]([O-])c1ccc2cccc(O)c2n1 Amb27201458 [0,1,0,0,0,0|3,0,0]=4 1983 B15R2.61353 O=[N+]([O-])c1ccc2ccnc(Cl)c2c1 Amb19099747 [0,1,0,0,0,0|3,0,0]=4 1984 B15R2.61353 O=[N+]([O-])c1ccc2ccnc(F)c2c1 Amb35653687 [0,1,0,0,0,0|3,0,0]=4 1985 B15R2.61353 O=[N+]([O-])c1ccc2ccnc(I)c2c1 Amb35742555 [0,1,0,0,0,0|3,0,0]=4 1986 B15R2.61353 O=[N+]([O-])c1ccc2ccnc(S)c2c1 Amb30008821 [0,1,0,0,0,0|3,0,0]=4 1987 B15R2.61353 O=[N+]([O-])c1ccc2nccc(Br)c2c1 Amb21857126 [0,1,0,0,0,0|3,0,0]=4 1988 B15R2.61353 O=[N+]([O-])c1ccc2nccc(Cl)c2c1 Amb10813210 [0,1,0,0,0,0|3,0,0]=4 1989 B15R2.61353 Oc1cccc2ccc(C(F)F)cc12 Amb26053478 [0,1,0,0,0,0|2,0,1]=4 1990 B15R2.61353 [NH3+]c1cccc2ccc(C(=O)O)nc12 Amb24113228 [0,1,0,0,0,0|2,0,0]=3 1991 B13R1.74 C=CCCc1ccc(C(=O)O)cc1 Amb6299601 [0,0,1,0,0,0|1,0,2]=4 1992 B13R1.74 C=CCNc1ccc(C(=O)O)cc1 Amb1394961 [0,0,1,0,0,0|2,0,1]=4 1993 B13R1.74 C=CCNc1ccc(C(N)=O)cc1 Amb17305831 [0,0,1,0,0,0|2,0,1]=4 1994 B13R1.74 C=CCOc1ccc(C(=O)Cl)cc1 Amb8517568 [0,0,1,0,0,0|2,0,1]=4 1995 B13R1.74 C=CCOc1ccc(C(=O)O)cc1 Amb6336173 [0,0,1,0,0,0|2,0,1]=4 1996 B13R1.74 C=CCOc1ccc(C(C)=O)cc1 Amb6551012 [0,0,1,0,0,0|1,0,1]=3 1997 B13R1.74 C=CCOc1ccc(C(N)=O)cc1 Amb519031 [0,0,1,0,0,0|2,0,1]=4 1998 B13R1.74 C=CCSc1ccc(C(C)=O)cc1 Amb17482843 [0,0,1,0,0,0|1,0,1]=3 1999 B13R1.74 C=C\C=C\c1ccc(C(=O)O)cc1 Amb18127223 [0,0,1,0,0,0|1,0,0]=2 2000 B13R1.74 C=C\C=C\c1ccc(C(=O)O)nc1 Amb27984764 [0,0,1,0,0,0|2,0,0]=3 2001 B13R1.74 C=C\C=C\c1ccc([N+](=O)[O-])cc1 Amb20001474 [0,0,1,0,0,0|2,0,0]=3 2002 B13R1.74 CC(=O)c1ccc(CCC=O)cc1 Amb24093036 [0,0,1,0,0,0|1,0,2]=4 2003 B13R1.74 CC(=O)c1ccc(\C=C/C#N)cc1 Amb27976457 [0,0,1,0,0,0|1,0,1]=3 2004 B13R1.74 CC(C)c1ccc(\C=C\C=O)cc1 Amb17233014 [0,0,1,0,0,0|2,0,1]=4 2005 B13R1.74 CN(C)c1ccc(\C=C/C=O)cc1 Amb28316525 [0,0,1,0,0,0|3,0,0]=4 2006 B13R1.74 CN(C)c1ccc(\C=C\C=O)cc1 Amb8513138 [0,0,1,0,0,0|3,0,0]=4 2007 B13R1.74 C\C=C\Nc1ccc(C(=O)O)cc1 Amb27666981 [0,0,1,0,0,0|2,0,1]=4 2008 B13R1.74 C\C=C\Oc1ccc(C(C)=O)cc1 Amb26430149 [0,0,1,0,0,0|1,0,1]=3 2009 B13R1.74 NC(=O)c1ccc(\C=C\C=O)cc1 Amb27607552 [0,0,1,0,0,0|2,0,0]=3 2010 B13R1.74 O=C\C=C\c1ccc(C(=O)O)cc1 Amb27179337 [0,0,1,0,0,0|2,0,0]=3 2011 B13R1.74 O=C\C=C\c1ccc(N(=O)=O)cc1 Amb20621806 [0,0,1,0,0,0|3,0,0]=4 2012 B13R1.74 O=C\C=C\c1ccc([N+](=O)[O-])cc1 Amb8515972 [0,0,1,0,0,0|3,0,0]=4 2013 B13R1.90 C#Cc1ccccc1\C=C\C(=O)O Amb33448966 [0,0,1,0,0,0|1,0,2]=4 2014 B13R1.90 C#Cc1ccccc1\C=C\C(C)=O Amb24690827 [0,0,1,0,0,0|0,0,2]=3 2015 B13R1.90 C#Cc1ccccc1\C=C\C(N)=O Amb27445425 [0,0,1,0,0,0|1,0,2]=4 2016 B13R1.90 C=C(C)\C=C\c1ccccc1NC Amb27467777 [0,0,1,0,0,0|2,0,1]=4 2017 B13R1.90 C=Cc1ccccc1OCC(=O)O Amb17594532 [0,0,1,0,0,0|2,0,1]=4 2018 B13R1.90 C=Cc1ccccc1\C=C\C(=O)O Amb27179308 [0,0,1,0,0,0|1,0,0]=2 2019 B13R1.90 CC(=O)CNc1ccccc1C=O Amb18127853 [0,0,1,0,0,0|2,0,1]=4 2020 B13R1.90 CC(=O)COc1ccccc1C=O Amb32426021 [0,0,1,0,0,0|2,0,1]=4 2021 B13R1.90 CC(=O)\C=C\c1ccccc1C#N Amb33358578 [0,0,1,0,0,0|1,0,1]=3 2022 B13R1.90 CC(=O)\C=C\c1ccccc1CO Amb25179632 [0,0,1,0,0,0|1,0,1]=3 2023 B13R1.90 CCc1ccccc1\C=C\C(=O)O Amb2235537 [0,0,1,0,0,0|1,0,2]=4 2024 B13R1.90 CCc1ccccc1\C=C\C(C)=O Amb33362221 [0,0,1,0,0,0|0,0,2]=3 2025 B13R1.90 CN(C)\C=C\c1ccccc1C=O Amb27231294 [0,0,1,0,0,0|3,0,0]=4 2026 B13R1.90 COc1ccccc1\C=C/C(N)=O Amb27243884 [0,0,1,0,0,0|2,0,1]=4 2027 B13R1.90 COc1ccccc1\C=C\C(=O)Cl Amb535054 [0,0,1,0,0,0|2,0,1]=4 2028 B13R1.90 COc1ccccc1\C=C\C(=O)O Amb6608742 [0,0,1,0,0,0|2,0,1]=4 2029 B13R1.90 COc1ccccc1\C=C\C(C)=O Amb2682793 [0,0,1,0,0,0|1,0,1]=3 2030 B13R1.90 COc1ccccc1\C=C\C(N)=O Amb3762938 [0,0,1,0,0,0|2,0,1]=4 2031 B13R1.90 COc1cccnc1\C=C\C(C)=O Amb33272153 [0,0,1,0,0,0|2,0,1]=4 2032 B13R1.90 COc1ncccc1\C=C\C(C)=O Amb33378550 [0,0,1,0,0,0|2,0,1]=4 2033 B13R1.90 CSc1ccccc1\C=C\C(=O)O Amb33079789 [0,0,1,0,0,0|2,0,1]=4 2034 B13R1.90 CSc1ccccc1\C=C\C(C)=O Amb32876727 [0,0,1,0,0,0|1,0,1]=3 2035 B13R1.90 N#Cc1ccccc1\C=C/C(=O)O Amb27812405 [0,0,1,0,0,0|2,0,1]=4 2036 B13R1.90 N#Cc1ccccc1\C=C\C(=O)O Amb1676841 [0,0,1,0,0,0|2,0,1]=4 2037 B13R1.90 NCc1ccccc1\C=C\C(=O)O Amb5722165 [0,0,1,0,0,0|2,0,1]=4 2038 B13R1.90 O=Cc1ccccc1\C=C\C(=O)O Amb8383888 [0,0,1,0,0,0|2,0,0]=3 2039 B13R1.90 [C-]#[N+]c1ccccc1\C=C\C(C)=O Amb25341927 [0,0,1,0,0,0|1,0,1]=3 2040 B13R1.144 C=CCc1ccc(C(=O)O)cc1F Amb32698618 [0,0,1,0,0,0|2,0,1]=4 2041 B13R1.144 C=CCc1ccc(C(C)=O)cc1F Amb32698683 [0,0,1,0,0,0|1,0,1]=3 2042 B13R1.158 CC(=O)C\C=C\c1ccccc1F Amb25693688 [0,0,1,0,0,0|1,0,1]=3 2043 B13R1.158 CC(=O)C\C=C\c1ccccc1O Amb25058690 [0,0,1,0,0,0|1,0,1]=3 2044 B13R1.158 CC(=O)N\C=C/c1ccccc1O Amb28430343 [0,0,1,0,0,0|2,0,0]=3 2045 B13R1.158 CC(=O)N\C=C\c1ccccc1Cl Amb25328901 [0,0,1,0,0,0|2,0,0]=3 2046 B13R1.158 CC(=O)N\C=C\c1ccccc1F Amb26033608 [0,0,1,0,0,0|2,0,0]=3 2047 B13R1.158 CC(=O)N\N=C\c1ccccc1Br Amb4355273 [0,0,1,0,0,0|3,0,0]=4 2048 B13R1.158 CC(=O)N\N=C\c1ccccc1C Amb17798513 [0,0,1,0,0,0|2,0,1]=4 2049 B13R1.158 CC(=O)N\N=C\c1ccccc1F Amb1014386 [0,0,1,0,0,0|3,0,0]=4 2050 B13R1.158 CC(=O)N\N=C\c1ccccc1O Amb3360655 [0,0,1,0,0,0|3,0,0]=4 2051 B13R1.158 CC(=O)\C=C/Nc1ccccc1N Amb27402608 [0,0,1,0,0,0|2,0,0]=3 2052 B13R1.158 CC(=O)\C=C\Cc1ccccc1N Amb27832813 [0,0,1,0,0,0|1,0,1]=3 2053 B13R1.158 CC(=O)\C=C\Nc1ccccc1N Amb27185977 [0,0,1,0,0,0|2,0,0]=3 2054 B13R1.158 CC(=O)\C=C\Nc1ccccc1O Amb27471697 [0,0,1,0,0,0|2,0,0]=3 2055 B13R1.158 CC(=O)\C=N\Nc1ccccc1C Amb26923877 [0,0,1,0,0,0|2,0,1]=4 2056 B13R1.158 CC(C)=C\C=C/c1ccccc1Br Amb22546598 [0,0,1,0,0,0|2,0,0]=3 2057 B13R1.158 CC(C)=C\C=C/c1ccccc1C Amb22546595 [0,0,1,0,0,0|1,0,1]=3 2058 B13R1.158 CC(C)=C\C=C/c1ccccc1Cl Amb22546615 [0,0,1,0,0,0|2,0,0]=3 2059 B13R1.158 CC(C)=C\C=C/c1ccccc1F Amb22546763 [0,0,1,0,0,0|2,0,0]=3 2060 B13R1.158 CN(O)\C=C\C=C1/C=CC=CC1=O Amb27854617 [0,0,1,0,0,0|2,0,1]=4 2061 B13R1.158 Cc1ccccc1S\C=C\C(=O)O Amb17595110 [0,0,1,0,0,0|2,0,1]=4 2062 B13R1.158 Cc1ccccc1\C=C\CC(=O)O Amb25362135 [0,0,1,0,0,0|1,0,2]=4 2063 B13R1.158 Nc1ccccc1S\C=C\C(=O)O Amb28061398 [0,0,1,0,0,0|3,0,0]=4 2064 B13R1.158 O=C(O)C=C=Cc1ccccc1Cl Amb27845403 [0,0,1,0,0,0|2,0,1]=4 2065 B13R1.158 O=C(O)C\C=C\c1ccccc1F Amb20622523 [0,0,1,0,0,0|2,0,1]=4 2066 B13R1.158 O=C(O)\C=C\Oc1ccccc1Cl Amb26655854 [0,0,1,0,0,0|3,0,0]=4 2067 B13R1.158 O=C(O)\C=C\Sc1ccccc1Br Amb27960991 [0,0,1,0,0,0|3,0,0]=4 2068 B13R1.158 O=C(O)\C=C\Sc1ccccc1Cl Amb27247837 [0,0,1,0,0,0|3,0,0]=4 2069 B13R1.202 C=C(Cc1ccccc1C)C(=O)O Amb27401861 [0,0,1,0,0,0|1,0,2]=4 2070 B13R1.202 C=C(Oc1ccccc1O)C(N)=O Amb18648219 [0,0,1,0,0,0|3,0,0]=4 2071 B13R1.202 CC(=O)C(=O)Cc1ccccc1Br Amb27241132 [0,0,1,0,0,0|2,0,1]=4 2072 B13R1.202 CC(=O)C(=O)Cc1ccccc1C Amb25158383 [0,0,1,0,0,0|1,0,2]=4 2073 B13R1.202 CC(=O)C(=O)Cc1ccccc1Cl Amb26452970 [0,0,1,0,0,0|2,0,1]=4 2074 B13R1.202 CC(=O)C(=O)Cc1ccccc1F Amb23603624 [0,0,1,0,0,0|2,0,1]=4 2075 B13R1.202 CC(=O)C(=O)Nc1ccccc1Br Amb17410539 [0,0,1,0,0,0|3,0,0]=4 2076 B13R1.202 CC(=O)C(=O)Nc1ccccc1C Amb17400598 [0,0,1,0,0,0|2,0,1]=4 2077 B13R1.202 CC(=O)C(=O)Nc1ccccc1Cl Amb17402222 [0,0,1,0,0,0|3,0,0]=4 2078 B13R1.202 CC(=O)C(=O)Nc1ccccc1F Amb17400855 [0,0,1,0,0,0|3,0,0]=4 2079 B13R1.202 CC(=O)\C(C)=C\c1cnccc1C Amb27610193 [0,0,1,0,0,0|1,0,2]=4 2080 B13R1.202 C\C(=C/c1ccccc1Br)C(=O)O Amb27181049 [0,0,1,0,0,0|2,0,1]=4 2081 B13R1.202 C\C(=C/c1ccccc1C)C(=O)O Amb4013359 [0,0,1,0,0,0|1,0,2]=4 2082 B13R1.202 C\C(=C/c1ccccc1Cl)C(=O)O Amb4005937 [0,0,1,0,0,0|2,0,1]=4 2083 B13R1.202 C\C(=C/c1ccccc1F)C(=O)O Amb5743929 [0,0,1,0,0,0|2,0,1]=4 2084 B13R1.202 C\C(=C/c1ccccc1O)C(=O)O Amb27881651 [0,0,1,0,0,0|2,0,1]=4 2085 B13R1.202 C\C(=C\c1ccccc1Br)C(=O)O Amb28128655 [0,0,1,0,0,0|2,0,1]=4 2086 B13R1.202 C\C(=C\c1ccccc1F)C(=O)O Amb27403871 [0,0,1,0,0,0|2,0,1]=4 2087 B13R1.202 C\C(=C\c1ccccc1N)C(=O)O Amb28436850 [0,0,1,0,0,0|2,0,1]=4 2088 B13R1.202 Cc1ccccc1\C=C(/F)C(=O)O Amb32677834 [0,0,1,0,0,0|2,0,1]=4 2089 B13R1.202 Cc1ccccc1\C=C(/S)C(=O)O Amb24115487 [0,0,1,0,0,0|2,0,1]=4 2090 B13R1.202 Cc1ccccc1\C=C(\N)C(=O)O Amb28078042 [0,0,1,0,0,0|2,0,1]=4 2091 B13R1.202 Cc1ccccc1\C=C(\S)C(=O)O Amb27650601 [0,0,1,0,0,0|2,0,1]=4 2092 B13R1.202 N\C(=C\c1ccccc1Cl)C(=O)O Amb28456914 [0,0,1,0,0,0|3,0,0]=4 2093 B13R1.202 O=C(O)\C(F)=C\c1ccccc1Br Amb27415913 [0,0,1,0,0,0|3,0,0]=4 2094 B13R1.202 O=C(O)\C(F)=C\c1ccccc1Cl Amb25256125 [0,0,1,0,0,0|3,0,0]=4 2095 B13R1.202 O=C(O)\C(F)=C\c1ccccc1F Amb27812349 [0,0,1,0,0,0|3,0,0]=4 2096 B13R1.202 O=C(O)\C(S)=C/c1ccccc1Cl Amb2550971 [0,0,1,0,0,0|3,0,0]=4 2097 B13R1.351 C=C(CCc1ccccc1)C(=O)O Amb18127719 [0,0,1,0,0,0|1,0,2]=4 2098 B13R1.351 C=C(\C=C\c1ccccc1)C(=O)O Amb33081816 [0,0,1,0,0,0|1,0,0]=2 2099 B13R1.351 C=C(\C=C\c1ccccc1)C(C)=O Amb27205181 [0,0,1,0,0,0|0,0,0]=1 2100 B13R1.351 C=C(\C=C\c1ccccc1)C(C)O Amb28064123 [0,0,1,0,0,0|0,0,2]=3 2101 B13R1.351 CC(=O)C(=O)NCc1ccccc1 Amb17400597 [0,0,1,0,0,0|2,0,1]=4 2102 B13R1.351 CC(=O)C(=O)OCc1ccccc1 Amb24740169 [0,0,1,0,0,0|2,0,1]=4 2103 B13R1.351 CC(=O)C(O)\C=C\c1ccccc1 Amb27861376 [0,0,1,0,0,0|1,0,1]=3 2104 B13R1.351 CC(=O)\C(C)=C/Nc1ccccc1 Amb17778142 [0,0,1,0,0,0|1,0,1]=3 2105 B13R1.351 CC(=O)\C(C)=N/Nc1ccccc1 Amb3987265 [0,0,1,0,0,0|2,0,1]=4 2106 B13R1.351 CC(=O)\C(C)=N\Cc1ccccc1 Amb25130600 [0,0,1,0,0,0|1,0,2]=4 2107 B13R1.351 CC(=O)\C(C)=N\Nc1ccccc1 Amb8479546 [0,0,1,0,0,0|2,0,1]=4 2108 B13R1.351 CC(=O)\C(Cl)=C\Nc1ccccc1 Amb28290344 [0,0,1,0,0,0|2,0,0]=3 2109 B13R1.351 CC(=O)\C(Cl)=N/Nc1ccccc1 Amb1980993 [0,0,1,0,0,0|3,0,0]=4 2110 B13R1.351 CC(=O)\C(Cl)=N\Nc1ccccc1 Amb4004716 [0,0,1,0,0,0|3,0,0]=4 2111 B13R1.351 CC(=O)\C(N)=N\Nc1ccccc1 Amb2622246 [0,0,1,0,0,0|3,0,0]=4 2112 B13R1.351 CC(N)C(=O)\C=C\c1ccccc1 Amb32953293 [0,0,1,0,0,0|2,0,1]=4 2113 B13R1.351 CC(\C=C\c1ccccc1)C(=O)O Amb18127714 [0,0,1,0,0,0|1,0,2]=4 2114 B13R1.351 CN(C)C(=O)\C=C\c1ccccc1 Amb2610528 [0,0,1,0,0,0|3,0,0]=4 2115 B13R1.351 C[C@@H](\C=C\c1ccccc1)C(=O)O Amb27592192 [0,0,1,0,0,0|1,0,2]=4 2116 B13R1.351 C[C@H](O)C(=O)\C=C\c1ccccc1 Amb27865928 [0,0,1,0,0,0|1,0,2]=4 2117 B13R1.351 C[C@H](\C=C\c1ccccc1)C(=O)O Amb27179112 [0,0,1,0,0,0|1,0,2]=4 2118 B13R1.351 N[C@@H](\C=C\c1ccccc1)C(=O)O Amb2694855 [0,0,1,0,0,0|2,0,1]=4 2119 B13R1.351 O=C(O)C(=O)\C=C/c1ccccc1 Amb27628477 [0,0,1,0,0,0|2,0,0]=3 2120 B13R1.351 O=C(O)C(=O)\C=C\c1ccccc1 Amb16192457 [0,0,1,0,0,0|2,0,0]=3 2121 B13R1.351 O=C(O)C(=O)\C=C\c1ccccc1 Amb4477338 [0,0,1,0,0,0|2,0,0]=3 2122 B13R1.351 O=C(O)C(=O)\C=C\c1ccccn1 Amb17470558 [0,0,1,0,0,0|3,0,0]=4 2123 B13R1.351 O=C(O)C(=O)\C=C\c1cccnc1 Amb17470559 [0,0,1,0,0,0|3,0,0]=4 2124 B13R1.351 O=C(O)C(=O)\C=C\c1ccncc1 Amb17470560 [0,0,1,0,0,0|3,0,0]=4 2125 B13R1.351 O=C(O)C(O)\C=C\c1ccccc1 Amb17594531 [0,0,1,0,0,0|2,0,1]=4 2126 B13R1.351 O=C(O)[C@H](O)\C=C\c1ccccc1 Amb26621099 [0,0,1,0,0,0|2,0,1]=4 2127 B13R1.354 C=CCc1cc(C(=O)O)ccc1C Amb27179313 [0,0,1,0,0,0|1,0,2]=4 2128 B13R1.354 C=CCc1cc(C(=O)O)ccc1F Amb27634820 [0,0,1,0,0,0|2,0,1]=4 2129 B13R1.354 C=CCc1cc(C(=O)O)ccc1O Amb17157376 [0,0,1,0,0,0|2,0,1]=4 2130 B13R1.354 C=CCc1cc(C(C)=O)ccc1O Amb2612085 [0,0,1,0,0,0|1,0,1]=3 2131 B13R1.354 C\C=C\c1cc(C(=O)O)ccc1O Amb547735 [0,0,1,0,0,0|2,0,1]=4 2132 B13R1.354 O=C(O)c1ccc(F)c(\C=C\Br)c1 Amb33135265 [0,0,1,0,0,0|3,0,0]=4 2133 B13R1.354 O=C(O)c1ccc(O)c(\C=C\Br)c1 Amb33135180 [0,0,1,0,0,0|3,0,0]=4 2134 B13R1.418 C=C\C(=C\c1ccccc1)C(C)=O Amb27486089 [0,0,1,0,0,0|0,0,0]=1 2135 B13R1.418 CC(=O)C(Cc1ccccc1)=[N+]=[N-] Amb17594403 [0,0,1,0,0,0|2,0,1]=4 2136 B13R1.418 CC(=O)\C(=C/N)Cc1ccccc1 Amb17777847 [0,0,1,0,0,0|1,0,1]=3 2137 B13R1.418 CC(=O)\C(=C/O)Cc1ccccc1 Amb27260481 [0,0,1,0,0,0|1,0,1]=3 2138 B13R1.418 CC(=O)\C(=C/[O-])Cc1ccccc1 Amb21947890 [0,0,1,0,0,0|1,0,1]=3 2139 B13R1.418 CC(=O)\C(=C/[O-])Cc1ccccc1 Amb21947891 [0,0,1,0,0,0|1,0,1]=3 2140 B13R1.418 CC(=O)\C(=C\N)Sc1ccccc1 Amb26873942 [0,0,1,0,0,0|2,0,0]=3 2141 B13R1.418 CC(=O)\C(=C\c1ccccc1)CCl Amb27252370 [0,0,1,0,0,0|1,0,1]=3 2142 B13R1.418 CC(=O)\C(Cc1ccccc1)=N/O Amb28202239 [0,0,1,0,0,0|2,0,1]=4 2143 B13R1.418 CC(C)\C(C=O)=C/c1ccccc1 Amb17334988 [0,0,1,0,0,0|2,0,1]=4 2144 B13R1.418 CC\C(=C/c1ccccc1)C(=O)O Amb4021410 [0,0,1,0,0,0|1,0,2]=4 2145 B13R1.418 CC\C(=C/c1ccccc1)C(C)=O Amb25285770 [0,0,1,0,0,0|0,0,2]=3 2146 B13R1.418 CC\C(=C/c1ccccn1)C(C)=O Amb28199981 [0,0,1,0,0,0|1,0,2]=4 2147 B13R1.418 CC\C(=C\c1ccccn1)C(C)=O Amb28054425 [0,0,1,0,0,0|1,0,2]=4 2148 B13R1.418 CC\C(=C\c1cccnc1)C(C)=O Amb27844143 [0,0,1,0,0,0|1,0,2]=4 2149 B13R1.418 CO\C(=C/c1ccccc1)C(=O)O Amb1945718 [0,0,1,0,0,0|2,0,1]=4 2150 B13R1.418 CO\C(=C\c1ccccc1)C(=O)O Amb28242324 [0,0,1,0,0,0|2,0,1]=4 2151 B13R1.418 CO\C(=C\c1ccncc1)C(C)=O Amb28201155 [0,0,1,0,0,0|2,0,1]=4 2152 B13R1.418 CS\C(=C\c1ccccc1)C(=O)O Amb18130097 [0,0,1,0,0,0|2,0,1]=4 2153 B13R1.418 C\C=C(\Sc1ccccc1)C(N)=O Amb27955834 [0,0,1,0,0,0|2,0,1]=4 2154 B13R1.418 N#C\C(=C/c1ccccc1)C(=O)Cl Amb17143094 [0,0,1,0,0,0|2,0,1]=4 2155 B13R1.418 N#C\C(=C/c1ccccc1)C(=O)O Amb17224284 [0,0,1,0,0,0|2,0,1]=4 2156 B13R1.418 N#C\C(=C/c1ccccc1)C(N)=O Amb2222555 [0,0,1,0,0,0|2,0,1]=4 2157 B13R1.418 N#C\C(=C\c1ccccc1)C(=O)O Amb4015026 [0,0,1,0,0,0|2,0,1]=4 2158 B13R1.418 N#C\C(=C\c1ccccc1)C(N)=O Amb4074010 [0,0,1,0,0,0|2,0,1]=4 2159 B13R1.418 NC(=O)\C(=C\O)Sc1ccccc1 Amb27630458 [0,0,1,0,0,0|3,0,0]=4 2160 B13R1.418 O=C(O)\C(=C/O)Nc1ccccc1 Amb27440517 [0,0,1,0,0,0|3,0,0]=4 2161 B13R1.418 O=C(O)\C(=C/c1ccccc1)CO Amb20671516 [0,0,1,0,0,0|2,0,1]=4 2162 B13R1.418 O=C(O)\C(=C\Cl)Cc1ccccc1 Amb27187237 [0,0,1,0,0,0|2,0,1]=4 2163 B13R1.418 [C-]#[N+]\C(=C/c1ccccc1)C(=O)O Amb27608648 [0,0,1,0,0,0|2,0,1]=4 2164 B13R1.568 C=CCCc1cccc(C(=O)O)c1 Amb6299596 [0,0,1,0,0,0|1,0,2]=4 2165 B13R1.568 C=CCNc1cccc(C(=O)O)c1 Amb1110022 [0,0,1,0,0,0|2,0,1]=4 2166 B13R1.568 C=CCNc1cccc(C(C)=O)c1 Amb17306664 [0,0,1,0,0,0|1,0,1]=3 2167 B13R1.568 C=CCOc1cccc(C(=O)Cl)c1 Amb20527822 [0,0,1,0,0,0|2,0,1]=4 2168 B13R1.568 C=CCOc1cccc(C(=O)O)c1 Amb2721920 [0,0,1,0,0,0|2,0,1]=4 2169 B13R1.568 C=CCOc1cccc(C(C)=O)c1 Amb6550977 [0,0,1,0,0,0|1,0,1]=3 2170 B13R1.568 C=CCOc1cccc(C(N)=O)c1 Amb20527823 [0,0,1,0,0,0|2,0,1]=4 2171 B13R1.568 C=CCSc1cccc(C(=O)O)c1 Amb18118626 [0,0,1,0,0,0|2,0,1]=4 2172 B13R1.568 CC(=O)c1cccc(\C=C\C#N)c1 Amb24758219 [0,0,1,0,0,0|1,0,1]=3 2173 B13R1.568 CC(C)c1cccc(\C=C\C=O)c1 Amb25894321 [0,0,1,0,0,0|2,0,1]=4 2174 B13R1.568 CN(C)c1cccc(\C=C\C=O)c1 Amb25334910 [0,0,1,0,0,0|3,0,0]=4 2175 B13R1.568 C\C=C/Oc1cccc(C(C)=O)c1 Amb28341289 [0,0,1,0,0,0|1,0,1]=3 2176 B13R1.568 N#C\C=C\c1cccc(C(=O)O)c1 Amb27185913 [0,0,1,0,0,0|2,0,1]=4 2177 B13R1.568 O=C\C=C\c1cccc([N+](=O)[O-])c1 Amb1813671 [0,0,1,0,0,0|3,0,0]=4 2178 B13R1.3091 C=Cc1cc(C(C)=O)ccc1CO Amb27394852 [0,0,1,0,0,0|1,0,1]=3 2179 B13R1.3091 COc1ccc(C(C)=O)cc1C=O Amb17594530 [0,0,1,0,0,0|2,0,1]=4 2180 B15R3.485 O=C1Cc2c1ccc3ccccc23 Amb17778717 [0,0,0,1,0,0|0,0,0]=1 2181 B15R3.15145 O=C1Nc2cc3ccccc3cc21 Amb27607801 [0,0,0,1,0,0|1,0,0]=2 2182 B15R3.15145 OC1Cc2cc3ccccc3cc21 Amb27197939 [0,0,0,1,0,0|0,0,2]=3 2183 B15R3.31603 c1cc2cc(C3CC3)ccc2cn1 Amb26479681 [0,0,0,1,0,0|2,0,1]=4 2184 B15R3.31603 c1ccc2cc(C3CC3)ncc2c1 Amb28193338 [0,0,0,1,0,0|2,0,1]=4 2185 B15R3.31603 c1ccc2cc(C3CO3)ccc2c1 Amb9706219 [0,0,0,1,0,0|0,0,2]=3 2186 B15R3.31603 c1ccc2cc([C@@H]3CO3)ccc2c1 Amb24491301 [0,0,0,1,0,0|0,0,2]=3 2187 B15R3.31603 c1ccc2cc([C@H]3CO3)ccc2c1 Amb24362283 [0,0,0,1,0,0|0,0,2]=3 2188 B15R3.31603 c1ccc2nc(C3CO3)ccc2c1 Amb26870051 [0,0,0,1,0,0|1,0,2]=4 2189 B15R3.31603 c1ccc2nc([C@@H]3CO3)ccc2c1 Amb33200721 [0,0,0,1,0,0|1,0,2]=4 2190 B15R3.31603 c1ccc2nc([C@H]3CO3)ccc2c1 Amb33200722 [0,0,0,1,0,0|1,0,2]=4 2191 B15R3.31603 c1ccc2ncc(C3CC3)cc2c1 Amb25073280 [0,0,0,1,0,0|2,0,1]=4 2192 B15R3.31603 c1ccc2ncc(C3CO3)cc2c1 Amb27148742 [0,0,0,1,0,0|1,0,2]=4 2193 B15R3.31603 c1ccc2ncc([C@@H]3CO3)cc2c1 Amb33417580 [0,0,0,1,0,0|1,0,2]=4 2194 B15R3.31603 c1ccc2ncc([C@H]3CO3)cc2c1 Amb33417632 [0,0,0,1,0,0|1,0,2]=4 2195 B15R3.31603 c1cnc2cc(C3CC3)ccc2c1 Amb27848622 [0,0,0,1,0,0|2,0,1]=4 2196 B15R3.31603 c1cnc2cc(C3CO3)ccc2c1 Amb32879509 [0,0,0,1,0,0|1,0,2]=4 2197 B15R3.31603 c1cnc2cc([C@@H]3CO3)ccc2c1 Amb32878058 [0,0,0,1,0,0|1,0,2]=4 2198 B15R3.31603 c1cnc2cc([C@H]3CO3)ccc2c1 Amb32878059 [0,0,0,1,0,0|1,0,2]=4 2199 B15R3.31603 c1cnc2ccc(C3CC3)cc2c1 Amb27962729 [0,0,0,1,0,0|2,0,1]=4 2200 B15R3.31603 c1cnc2ccc(C3CO3)cc2c1 Amb26851822 [0,0,0,1,0,0|1,0,2]=4 2201 B15R3.31603 c1cnc2ccc([C@@H]3CO3)cc2c1 Amb33148143 [0,0,0,1,0,0|1,0,2]=4 2202 B15R3.31603 c1cnc2ccc([C@H]3CO3)cc2c1 Amb33226669 [0,0,0,1,0,0|1,0,2]=4 2203 B13R2.72 C=C(C)c1cnc2ccccn12 Amb27622227 [0,0,0,0,1,0|3,0,0]=4 2204 B13R2.72 C=C(C)c1csc2ccccc12 Amb27669983 [0,0,0,0,1,0|2,0,0]=3 2205 B13R2.72 C=C(C)n1ccc2cccnc21 Amb27463413 [0,0,0,0,1,0|3,0,0]=4 2206 B13R2.72 C=C(C)n1cnc2ccccc21 Amb27615230 [0,0,0,0,1,0|3,0,0]=4 2207 B13R2.72 CB(C)n1ccc2ccccc21 Amb27762714 [0,0,0,0,1,0|3,0,0]=4 2208 B13R2.72 CC(=N)c1csc2ccccc12 Amb28323588 [0,0,0,0,1,0|2,0,0]=3 2209 B13R2.72 CC(=O)C1CCc2ccccc21 Amb24400099 [0,0,0,0,1,0|0,0,3]=4 2210 B13R2.72 CC(=O)C1COc2ccccc21 Amb23586289 [0,0,0,0,1,0|1,0,2]=4 2211 B13R2.72 CC(=O)N1CCc2ccccc21 Amb6357858 [0,0,0,0,1,0|1,0,2]=4 2212 B13R2.72 CC(=O)N1CNc2ccccc21 Amb28366373 [0,0,0,0,1,0|2,0,1]=4 2213 B13R2.72 CC(=O)N1COc2ccccc21 Amb28244203 [0,0,0,0,1,0|2,0,1]=4 2214 B13R2.72 CC(=O)N1CSc2ccccc21 Amb27416836 [0,0,0,0,1,0|2,0,1]=4 2215 B13R2.72 CC(=O)N1OCc2ccccc21 Amb27756375 [0,0,0,0,1,0|2,0,1]=4 2216 B13R2.72 CC(=O)[C@@H]1CCc2ccccc21 Amb25834379 [0,0,0,0,1,0|0,0,3]=4 2217 B13R2.72 CC(=O)c1ccc2ccccn12 Amb18149670 [0,0,0,0,1,0|1,0,0]=2 2218 B13R2.72 CC(=O)c1ccc2cnccn12 Amb18830282 [0,0,0,0,1,0|2,0,0]=3 2219 B13R2.72 CC(=O)c1ccc2cncnn12 Amb25942641 [0,0,0,0,1,0|3,0,0]=4 2220 B13R2.72 CC(=O)c1ccc2coccc12 Amb25898997 [0,0,0,0,1,0|1,0,0]=2 2221 B13R2.72 CC(=O)c1ccn2ccccc12 Amb27490785 [0,0,0,0,1,0|1,0,0]=2 2222 B13R2.72 CC(=O)c1ccn2ccncc12 Amb26557617 [0,0,0,0,1,0|2,0,0]=3 2223 B13R2.72 CC(=O)c1cnc2ccccn12 Amb21963091 [0,0,0,0,1,0|2,0,0]=3 2224 B13R2.72 CC(=O)c1cnc2cccnn12 Amb18830099 [0,0,0,0,1,0|3,0,0]=4 2225 B13R2.72 CC(=O)c1cnc2cnccn12 Amb18830100 [0,0,0,0,1,0|3,0,0]=4 2226 B13R2.72 CC(=O)c1cnc2ncccn12 Amb24060251 [0,0,0,0,1,0|3,0,0]=4 2227 B13R2.72 CC(=O)c1cnn2ccccc12 Amb27862487 [0,0,0,0,1,0|2,0,0]=3 2228 B13R2.72 CC(=O)c1cnn2ccncc12 Amb26931617 [0,0,0,0,1,0|3,0,0]=4 2229 B13R2.72 CC(=O)c1cnn2ncccc12 Amb24432743 [0,0,0,0,1,0|3,0,0]=4 2230 B13R2.72 CC(=O)c1coc2ccccc12 Amb19887568 [0,0,0,0,1,0|1,0,0]=2 2231 B13R2.72 CC(=O)c1coc2ccncc12 Amb26529701 [0,0,0,0,1,0|2,0,0]=3 2232 B13R2.72 CC(=O)c1coc2cnccc12 Amb24559436 [0,0,0,0,1,0|2,0,0]=3 2233 B13R2.72 CC(=O)c1coc2ncccc12 Amb27481873 [0,0,0,0,1,0|2,0,0]=3 2234 B13R2.72 CC(=O)c1csc2ccccc12 Amb33528908 [0,0,0,0,1,0|1,0,0]=2 2235 B13R2.72 CC(=O)c1csc2ncccc12 Amb26954485 [0,0,0,0,1,0|2,0,0]=3 2236 B13R2.72 CC(=O)c1ncn2ccccc12 Amb18061982 [0,0,0,0,1,0|2,0,0]=3 2237 B13R2.72 CC(=O)c1ncn2ccncc12 Amb18830006 [0,0,0,0,1,0|3,0,0]=4 2238 B13R2.72 CC(=O)c1nnc2ccccn12 Amb25329309 [0,0,0,0,1,0|3,0,0]=4 2239 B13R2.72 CC(=O)c1nnn2ccccc12 Amb26632991 [0,0,0,0,1,0|3,0,0]=4 2240 B13R2.72 CC(=O)c1noc2ccccc12 Amb25723786 [0,0,0,0,1,0|2,0,0]=3 2241 B13R2.72 CC(=O)c1noc2ncccc12 Amb26638081 [0,0,0,0,1,0|3,0,0]=4 2242 B13R2.72 CC(=O)c1occ2ccccc12 Amb18199846 [0,0,0,0,1,0|1,0,0]=2 2243 B13R2.72 CC(=O)c1onc2ccccc12 Amb27209683 [0,0,0,0,1,0|2,0,0]=3 2244 B13R2.72 CC(=O)c1onc2cccnc12 Amb18829867 [0,0,0,0,1,0|3,0,0]=4 2245 B13R2.72 CC(=O)c1onc2ncccc12 Amb27144320 [0,0,0,0,1,0|3,0,0]=4 2246 B13R2.72 CC(=O)c1scc2nccnc12 Amb18824874 [0,0,0,0,1,0|3,0,0]=4 2247 B13R2.72 CC(=O)n1ccc2ccccc21 Amb4148705 [0,0,0,0,1,0|1,0,0]=2 2248 B13R2.72 CC(=O)n1ccc2cccnc21 Amb13884921 [0,0,0,0,1,0|2,0,0]=3 2249 B13R2.72 CC(=O)n1ccc2ccncc21 Amb24331013 [0,0,0,0,1,0|2,0,0]=3 2250 B13R2.72 CC(=O)n1ccc2cnccc21 Amb25151002 [0,0,0,0,1,0|2,0,0]=3 2251 B13R2.72 CC(=O)n1ccc2ncccc21 Amb26319358 [0,0,0,0,1,0|2,0,0]=3 2252 B13R2.72 CC(=O)n1ncc2ccccc21 Amb22235128 [0,0,0,0,1,0|2,0,0]=3 2253 B13R2.72 CC(=O)n1ncc2ccncc21 Amb20242190 [0,0,0,0,1,0|3,0,0]=4 2254 B13R2.72 CC(=O)n1nnc2ccccc21 Amb3886645 [0,0,0,0,1,0|3,0,0]=4 2255 B13R2.72 CC(Br)c1csc2ccccc12 Amb28140303 [0,0,0,0,1,0|2,0,1]=4 2256 B13R2.72 CC(C)=C1ONc2ccccc21 Amb27209784 [0,0,0,0,1,0|3,0,0]=4 2257 B13R2.72 CC(C)n1ccc2ccccc21 Amb19515839 [0,0,0,0,1,0|2,0,1]=4 2258 B13R2.72 CC(Cl)C1C=Cc2ccccc21 Amb27777224 [0,0,0,0,1,0|1,0,2]=4 2259 B13R2.72 CC(Cl)c1coc2ccccc12 Amb35704189 [0,0,0,0,1,0|2,0,1]=4 2260 B13R2.72 CC(Cl)c1csc2ccccc12 Amb19053947 [0,0,0,0,1,0|2,0,1]=4 2261 B13R2.72 CC(N)c1coc2ccccc12 Amb18829962 [0,0,0,0,1,0|2,0,1]=4 2262 B13R2.72 CC(N)c1csc2ccccc12 Amb33097419 [0,0,0,0,1,0|2,0,1]=4 2263 B13R2.72 CC(N)c1csc2ccccc12 Amb9212784 [0,0,0,0,1,0|2,0,1]=4 2264 B13R2.72 CC(O)C1=CCc2ccccc21 Amb28244189 [0,0,0,0,1,0|0,0,3]=4 2265 B13R2.72 CC(O)C1C=Cc2ccccc21 Amb27478522 [0,0,0,0,1,0|0,0,3]=4 2266 B13R2.72 CC(O)c1coc2ccccc12 Amb24061891 [0,0,0,0,1,0|1,0,2]=4 2267 B13R2.72 CC(O)c1csc2ccccc12 Amb18180840 [0,0,0,0,1,0|1,0,2]=4 2268 B13R2.72 CC(O)c1occ2ccccc12 Amb25899169 [0,0,0,0,1,0|1,0,2]=4 2269 B13R2.72 CN(C)c1csc2ccccc12 Amb23403656 [0,0,0,0,1,0|3,0,0]=4 2270 B13R2.72 C[C@@H](N)c1coc2ccccc12 Amb25871849 [0,0,0,0,1,0|2,0,1]=4 2271 B13R2.72 C[C@@H](N)c1coc2ccccc12 Amb33331001 [0,0,0,0,1,0|2,0,1]=4 2272 B13R2.72 C[C@@H](N)c1csc2ccccc12 Amb26326680 [0,0,0,0,1,0|2,0,1]=4 2273 B13R2.72 C[C@@H](N)c1csc2ccccc12 Amb33189113 [0,0,0,0,1,0|2,0,1]=4 2274 B13R2.72 C[C@@H](O)c1coc2ccccc12 Amb25675222 [0,0,0,0,1,0|1,0,2]=4 2275 B13R2.72 C[C@@H](O)c1csc2ccccc12 Amb27247039 [0,0,0,0,1,0|1,0,2]=4 2276 B13R2.72 C[C@H](N)c1csc2ccccc12 Amb26019506 [0,0,0,0,1,0|2,0,1]=4 2277 B13R2.72 C[C@H](N)c1csc2ccccc12 Amb33457455 [0,0,0,0,1,0|2,0,1]=4 2278 B13R2.72 C[C@H](O)[C@@H]1C=Cc2ccccc21 Amb27880668 [0,0,0,0,1,0|0,0,3]=4 2279 B13R2.72 C[C@H](O)c1coc2ccccc12 Amb27766105 [0,0,0,0,1,0|1,0,2]=4 2280 B13R2.72 C[C@H](O)c1csc2ccccc12 Amb25132352 [0,0,0,0,1,0|1,0,2]=4 2281 B13R2.72 N=C(N)c1csc2ccccc12 Amb17850833 [0,0,0,0,1,0|3,0,0]=4 2282 B13R2.72 N=C(N)c1csc2ccccc12 Amb18184081 [0,0,0,0,1,0|3,0,0]=4 2283 B13R2.72 N=C(N)c1csc2ccccc12 Amb2723186 [0,0,0,0,1,0|3,0,0]=4 2284 B13R2.72 NC(=O)c1ccc2ccccn12 Amb25089902 [0,0,0,0,1,0|2,0,0]=3 2285 B13R2.72 NC(=O)c1ccc2cccnn12 Amb25152474 [0,0,0,0,1,0|3,0,0]=4 2286 B13R2.72 NC(=O)c1coc2ccccc12 Amb23401825 [0,0,0,0,1,0|2,0,0]=3 2287 B13R2.72 NC(=O)c1csc2ccccc12 Amb18808969 [0,0,0,0,1,0|2,0,0]=3 2288 B13R2.72 NC(=O)c1csc2cnccc12 Amb27186113 [0,0,0,0,1,0|3,0,0]=4 2289 B13R2.72 NC(=O)c1nsc2ccccc12 Amb16677288 [0,0,0,0,1,0|3,0,0]=4 2290 B13R2.72 NC(=O)n1ccc2cccnc21 Amb27789106 [0,0,0,0,1,0|3,0,0]=4 2291 B13R2.72 NC(=S)c1coc2ccccc12 Amb26346315 [0,0,0,0,1,0|2,1,0]=4 2292 B13R2.72 NC(=S)c1csc2ccccc12 Amb2723185 [0,0,0,0,1,0|2,1,0]=4 2293 B13R2.72 NC(N)=C1C=Nc2ccccc21 Amb27804019 [0,0,0,0,1,0|3,0,0]=4 2294 B13R2.72 O=C(Cl)C1C=Cc2ccccc21 Amb27251392 [0,0,0,0,1,0|1,0,1]=3 2295 B13R2.72 O=C(Cl)c1cnc2ccccn12 Amb25997777 [0,0,0,0,1,0|3,0,0]=4 2296 B13R2.72 O=C(Cl)c1cnn2ccccc12 Amb2723395 [0,0,0,0,1,0|3,0,0]=4 2297 B13R2.72 O=C(Cl)c1coc2ccccc12 Amb9677570 [0,0,0,0,1,0|2,0,0]=3 2298 B13R2.72 O=C(Cl)c1csc2ccccc12 Amb2723179 [0,0,0,0,1,0|2,0,0]=3 2299 B13R2.72 O=C(Cl)c1nsc2ccccc12 Amb27198478 [0,0,0,0,1,0|3,0,0]=4 2300 B13R2.72 O=C(O)C1=CCc2ccccc21 Amb2691224 [0,0,0,0,1,0|1,0,1]=3 2301 B13R2.72 O=C(O)C1C=Cc2ccccc21 Amb17470411 [0,0,0,0,1,0|1,0,1]=3 2302 B13R2.72 O=C(O)c1ccc2ccccn12 Amb18149687 [0,0,0,0,1,0|2,0,0]=3 2303 B13R2.72 O=C(O)c1ccc2cccnn12 Amb25034789 [0,0,0,0,1,0|3,0,0]=4 2304 B13R2.72 O=C(O)c1ccn2ccccc12 Amb22755846 [0,0,0,0,1,0|2,0,0]=3 2305 B13R2.72 O=C(O)c1ccn2cccnc12 Amb32695437 [0,0,0,0,1,0|3,0,0]=4 2306 B13R2.72 O=C(O)c1ccn2ccncc12 Amb27392410 [0,0,0,0,1,0|3,0,0]=4 2307 B13R2.72 O=C(O)c1ccn2ncccc12 Amb18829835 [0,0,0,0,1,0|3,0,0]=4 2308 B13R2.72 O=C(O)c1cnc2ccccn12 Amb2723386 [0,0,0,0,1,0|3,0,0]=4 2309 B13R2.72 O=C(O)c1cnc2ccccn12 Amb32693473 [0,0,0,0,1,0|3,0,0]=4 2310 B13R2.72 O=C(O)c1cnn2ccccc12 Amb2723394 [0,0,0,0,1,0|3,0,0]=4 2311 B13R2.72 O=C(O)c1coc2ccccc12 Amb6355909 [0,0,0,0,1,0|2,0,0]=3 2312 B13R2.72 O=C(O)c1coc2cccnc12 Amb25109532 [0,0,0,0,1,0|3,0,0]=4 2313 B13R2.72 O=C(O)c1coc2ccncc12 Amb24666082 [0,0,0,0,1,0|3,0,0]=4 2314 B13R2.72 O=C(O)c1coc2ncccc12 Amb26500304 [0,0,0,0,1,0|3,0,0]=4 2315 B13R2.72 O=C(O)c1csc2ccccc12 Amb6335606 [0,0,0,0,1,0|2,0,0]=3 2316 B13R2.72 O=C(O)c1csc2cccnc12 Amb21989393 [0,0,0,0,1,0|3,0,0]=4 2317 B13R2.72 O=C(O)c1csc2ccncc12 Amb27637639 [0,0,0,0,1,0|3,0,0]=4 2318 B13R2.72 O=C(O)c1csc2cnccc12 Amb25691088 [0,0,0,0,1,0|3,0,0]=4 2319 B13R2.72 O=C(O)c1ncc2ccccn12 Amb17060780 [0,0,0,0,1,0|3,0,0]=4 2320 B13R2.72 O=C(O)c1ncn2ccccc12 Amb18559504 [0,0,0,0,1,0|3,0,0]=4 2321 B13R2.72 O=C(O)c1noc2ccccc12 Amb1994153 [0,0,0,0,1,0|3,0,0]=4 2322 B13R2.72 O=C(O)c1nsc2ccccc12 Amb33542908 [0,0,0,0,1,0|3,0,0]=4 2323 B13R2.72 O=C(O)c1occ2ccccc12 Amb6357074 [0,0,0,0,1,0|2,0,0]=3 2324 B13R2.72 O=C(O)c1onc2ccccc12 Amb2725091 [0,0,0,0,1,0|3,0,0]=4 2325 B13R2.72 O=C(O)c1snc2ccccc12 Amb17594585 [0,0,0,0,1,0|3,0,0]=4 2326 B13R2.72 O=C(O)n1ccc2ccncc21 Amb21964153 [0,0,0,0,1,0|3,0,0]=4 2327 B13R2.72 O=C([O-])c1ccn2cccnc12 Amb33299437 [0,0,0,0,1,0|3,0,0]=4 2328 B13R2.72 O=S([O-])c1csc2ccccc12 Amb27462813 [0,0,0,0,1,0|3,0,0]=4 2329 B13R2.72 O=[N+]([O-])c1ccc2ccccn12 Amb18559297 [0,0,0,0,1,0|3,0,0]=4 2330 B13R2.72 O=[N+]([O-])c1csc2ccccc12 Amb5720588 [0,0,0,0,1,0|3,0,0]=4 2331 B13R2.72 OC(O)=C1C=Cc2ccccc21 Amb24357578 [0,0,0,0,1,0|1,0,1]=3 2332 B13R2.430 C=C(C)c1ccc2ccoc2c1 Amb28346447 [0,0,0,0,1,0|2,0,0]=3 2333 B13R2.430 CC(=O)C1=CC2NC=CN2C=C1 Amb24669202 [0,0,0,0,1,0|2,0,1]=4 2334 B13R2.430 CC(=O)c1cc2ccoc2cn1 Amb22490558 [0,0,0,0,1,0|2,0,0]=3 2335 B13R2.430 CC(=O)c1cc2scnc2cn1 Amb28124631 [0,0,0,0,1,0|3,0,0]=4 2336 B13R2.430 CC(=O)c1ccc2c(c1)CC=C2 Amb25128945 [0,0,0,0,1,0|0,0,1]=2 2337 B13R2.430 CC(=O)c1ccc2c(c1)CCC2 Amb1657672 [0,0,0,0,1,0|0,0,3]=4 2338 B13R2.430 CC(=O)c1ccc2c(c1)CCN2 Amb34912700 [0,0,0,0,1,0|1,0,2]=4 2339 B13R2.430 CC(=O)c1ccc2c(c1)CCN2 Amb841880 [0,0,0,0,1,0|1,0,2]=4 2340 B13R2.430 CC(=O)c1ccc2c(c1)CCO2 Amb1680104 [0,0,0,0,1,0|1,0,2]=4 2341 B13R2.430 CC(=O)c1ccc2c(c1)CCS2 Amb18824832 [0,0,0,0,1,0|1,0,2]=4 2342 B13R2.430 CC(=O)c1ccc2c(c1)CNC2 Amb17480538 [0,0,0,0,1,0|1,0,2]=4 2343 B13R2.430 CC(=O)c1ccc2c(c1)CNC2 Amb22227654 [0,0,0,0,1,0|1,0,2]=4 2344 B13R2.430 CC(=O)c1ccc2c(c1)COC2 Amb18798090 [0,0,0,0,1,0|1,0,2]=4 2345 B13R2.430 CC(=O)c1ccc2c(c1)NCC2 Amb18829947 [0,0,0,0,1,0|1,0,2]=4 2346 B13R2.430 CC(=O)c1ccc2c(c1)OCO2 Amb2720840 [0,0,0,0,1,0|2,0,1]=4 2347 B13R2.430 CC(=O)c1ccc2ccoc2c1 Amb23401817 [0,0,0,0,1,0|1,0,0]=2 2348 B13R2.430 CC(=O)c1ccc2ccoc2n1 Amb27590281 [0,0,0,0,1,0|2,0,0]=3 2349 B13R2.430 CC(=O)c1ccc2cnnn2c1 Amb27782529 [0,0,0,0,1,0|3,0,0]=4 2350 B13R2.430 CC(=O)c1ccc2cnsc2n1 Amb27494888 [0,0,0,0,1,0|3,0,0]=4 2351 B13R2.430 CC(=O)c1ccc2nccn2c1 Amb25335682 [0,0,0,0,1,0|2,0,0]=3 2352 B13R2.430 CC(=O)c1ccc2nccn2n1 Amb28254609 [0,0,0,0,1,0|3,0,0]=4 2353 B13R2.430 CC(=O)c1ccc2ncoc2c1 Amb18830116 [0,0,0,0,1,0|2,0,0]=3 2354 B13R2.430 CC(=O)c1ccc2ncsc2c1 Amb21857859 [0,0,0,0,1,0|2,0,0]=3 2355 B13R2.430 CC(=O)c1ccc2nonc2c1 Amb23402230 [0,0,0,0,1,0|3,0,0]=4 2356 B13R2.430 CC(=O)c1ccc2nsnc2c1 Amb3615908 [0,0,0,0,1,0|3,0,0]=4 2357 B13R2.430 CC(=O)c1ccc2occc2c1 Amb18830288 [0,0,0,0,1,0|1,0,0]=2 2358 B13R2.430 CC(=O)c1ccc2ocnc2c1 Amb17319977 [0,0,0,0,1,0|2,0,0]=3 2359 B13R2.430 CC(=O)c1ccc2ocnc2n1 Amb27961190 [0,0,0,0,1,0|3,0,0]=4 2360 B13R2.430 CC(=O)c1ccc2sccc2c1 Amb16232253 [0,0,0,0,1,0|1,0,0]=2 2361 B13R2.430 CC(=O)c1ccc2scnc2c1 Amb18243694 [0,0,0,0,1,0|2,0,0]=3 2362 B13R2.430 CC(=O)c1ccc2snnc2c1 Amb27441312 [0,0,0,0,1,0|3,0,0]=4 2363 B13R2.430 CC(=O)c1ccn2cccc2c1 Amb26517564 [0,0,0,0,1,0|1,0,0]=2 2364 B13R2.430 CC(=O)c1ccn2ccnc2c1 Amb26856901 [0,0,0,0,1,0|2,0,0]=3 2365 B13R2.430 CC(=O)c1ccn2ccnc2n1 Amb27842235 [0,0,0,0,1,0|3,0,0]=4 2366 B13R2.430 CC(=O)c1ccn2cncc2c1 Amb27789115 [0,0,0,0,1,0|2,0,0]=3 2367 B13R2.430 CC(=O)c1ccn2ncnc2c1 Amb27487362 [0,0,0,0,1,0|3,0,0]=4 2368 B13R2.430 CC(=O)c1cnc2ccnn2c1 Amb26422055 [0,0,0,0,1,0|3,0,0]=4 2369 B13R2.430 CC(=O)c1cnc2ccsc2c1 Amb19515659 [0,0,0,0,1,0|2,0,0]=3 2370 B13R2.430 CC(=O)c1cnc2nccn2c1 Amb28140852 [0,0,0,0,1,0|3,0,0]=4 2371 B13R2.430 CC(=O)c1cnc2occc2c1 Amb25667073 [0,0,0,0,1,0|2,0,0]=3 2372 B13R2.430 CC(=O)c1cnc2ocnc2c1 Amb27186607 [0,0,0,0,1,0|3,0,0]=4 2373 B13R2.430 CC(C)c1ccc2c(c1)C=CC2 Amb25336486 [0,0,0,0,1,0|1,0,2]=4 2374 B13R2.430 CC(Cl)c1ccc2sccc2c1 Amb27657688 [0,0,0,0,1,0|2,0,1]=4 2375 B13R2.430 CC(N)c1ccc2c(c1)C=CC2 Amb27445836 [0,0,0,0,1,0|1,0,2]=4 2376 B13R2.430 CC(N)c1ccc2ccsc2c1 Amb27873243 [0,0,0,0,1,0|2,0,1]=4 2377 B13R2.430 CC(N)c1ccc2occc2c1 Amb18829961 [0,0,0,0,1,0|2,0,1]=4 2378 B13R2.430 CC(O)c1ccc2ccoc2c1 Amb25830487 [0,0,0,0,1,0|1,0,2]=4 2379 B13R2.430 CS(=O)c1ccc2ccsc2c1 Amb27390552 [0,0,0,0,1,0|2,0,0]=3 2380 B13R2.430 C[C@@H](N)c1ccc2occc2c1 Amb27592448 [0,0,0,0,1,0|2,0,1]=4 2381 B13R2.430 C[C@@H](N)c1ccc2sccc2c1 Amb28250746 [0,0,0,0,1,0|2,0,1]=4 2382 B13R2.430 C[C@@H](O)c1ccc2occc2c1 Amb33345089 [0,0,0,0,1,0|1,0,2]=4 2383 B13R2.430 C[C@H](N)c1ccc2ccoc2c1 Amb28388784 [0,0,0,0,1,0|2,0,1]=4 2384 B13R2.430 C[C@H](N)c1ccc2ccsc2c1 Amb27493000 [0,0,0,0,1,0|2,0,1]=4 2385 B13R2.430 C[C@H](N)c1ccc2occc2c1 Amb27856072 [0,0,0,0,1,0|2,0,1]=4 2386 B13R2.430 C[C@H](O)c1ccc2occc2c1 Amb33344834 [0,0,0,0,1,0|1,0,2]=4 2387 B13R2.430 N=C(N)c1ccc2occc2c1 Amb20241033 [0,0,0,0,1,0|3,0,0]=4 2388 B13R2.430 N=C(N)c1ccc2occc2c1 Amb24089261 [0,0,0,0,1,0|3,0,0]=4 2389 B13R2.430 NC(=O)c1cc2ccsc2cn1 Amb27971105 [0,0,0,0,1,0|3,0,0]=4 2390 B13R2.430 NC(=O)c1ccc2ccoc2c1 Amb23401819 [0,0,0,0,1,0|2,0,0]=3 2391 B13R2.430 NC(=O)c1ccc2cncn2c1 Amb27163833 [0,0,0,0,1,0|3,0,0]=4 2392 B13R2.430 NC(=O)c1ccc2nccn2c1 Amb19895207 [0,0,0,0,1,0|3,0,0]=4 2393 B13R2.430 NC(=O)c1ccc2ncoc2c1 Amb27390946 [0,0,0,0,1,0|3,0,0]=4 2394 B13R2.430 NC(=O)c1ccc2ncsc2c1 Amb8997727 [0,0,0,0,1,0|3,0,0]=4 2395 B13R2.430 NC(=O)c1ccc2occc2c1 Amb23401830 [0,0,0,0,1,0|2,0,0]=3 2396 B13R2.430 NC(=O)c1ccc2sccc2c1 Amb20623818 [0,0,0,0,1,0|2,0,0]=3 2397 B13R2.430 NC(=O)c1ccn2ccnc2c1 Amb24718898 [0,0,0,0,1,0|3,0,0]=4 2398 B13R2.430 NC(=O)c1ccn2nccc2c1 Amb25872782 [0,0,0,0,1,0|3,0,0]=4 2399 B13R2.430 NC(=O)c1cnc2ccsc2c1 Amb27663083 [0,0,0,0,1,0|3,0,0]=4 2400 B13R2.430 NC(=O)c1cnc2sccc2c1 Amb25132517 [0,0,0,0,1,0|3,0,0]=4 2401 B13R2.430 NC(=S)c1ccc2occc2c1 Amb2723115 [0,0,0,0,1,0|2,1,0]=4 2402 B13R2.430 O=C(Cl)c1ccc2ccoc2c1 Amb26917355 [0,0,0,0,1,0|2,0,0]=3 2403 B13R2.430 O=C(Cl)c1ccc2nccn2c1 Amb2723528 [0,0,0,0,1,0|3,0,0]=4 2404 B13R2.430 O=C(Cl)c1ccc2ncoc2c1 Amb27638540 [0,0,0,0,1,0|3,0,0]=4 2405 B13R2.430 O=C(Cl)c1ccc2ncsc2c1 Amb22394891 [0,0,0,0,1,0|3,0,0]=4 2406 B13R2.430 O=C(Cl)c1ccc2occc2c1 Amb2723108 [0,0,0,0,1,0|2,0,0]=3 2407 B13R2.430 O=C(Cl)c1ccc2sccc2c1 Amb2723379 [0,0,0,0,1,0|2,0,0]=3 2408 B13R2.430 O=C(Cl)c1ccc2scnc2c1 Amb22394892 [0,0,0,0,1,0|3,0,0]=4 2409 B13R2.430 O=C(O)c1cc2cccn2cn1 Amb10067648 [0,0,0,0,1,0|3,0,0]=4 2410 B13R2.430 O=C(O)c1cc2cccn2cn1 Amb2608696 [0,0,0,0,1,0|3,0,0]=4 2411 B13R2.430 O=C(O)c1cc2ccoc2cn1 Amb19958264 [0,0,0,0,1,0|3,0,0]=4 2412 B13R2.430 O=C(O)c1cc2ccoc2cn1 Amb22235943 [0,0,0,0,1,0|3,0,0]=4 2413 B13R2.430 O=C(O)c1cc2ccsc2cn1 Amb18128312 [0,0,0,0,1,0|3,0,0]=4 2414 B13R2.430 O=C(O)c1cc2cscc2cn1 Amb28385657 [0,0,0,0,1,0|3,0,0]=4 2415 B13R2.430 O=C(O)c1cc2occc2cn1 Amb18829553 [0,0,0,0,1,0|3,0,0]=4 2416 B13R2.430 O=C(O)c1cc2sccc2cn1 Amb18128384 [0,0,0,0,1,0|3,0,0]=4 2417 B13R2.430 O=C(O)c1ccc2[se]ccc2n1 Amb2611568 [0,0,0,0,1,0|3,0,0]=4 2418 B13R2.430 O=C(O)c1ccc2c(c1)C=CC2 Amb24078363 [0,0,0,0,1,0|1,0,1]=3 2419 B13R2.430 O=C(O)c1ccc2c(c1)C=N[NH2+]2 Amb2694905 [0,0,0,0,1,0|3,0,0]=4 2420 B13R2.430 O=C(O)c1ccc2cccn2c1 Amb16232518 [0,0,0,0,1,0|2,0,0]=3 2421 B13R2.430 O=C(O)c1ccc2ccnn2c1 Amb18829868 [0,0,0,0,1,0|3,0,0]=4 2422 B13R2.430 O=C(O)c1ccc2ccoc2c1 Amb33542897 [0,0,0,0,1,0|2,0,0]=3 2423 B13R2.430 O=C(O)c1ccc2ccsc2c1 Amb9783319 [0,0,0,0,1,0|2,0,0]=3 2424 B13R2.430 O=C(O)c1ccc2cncn2c1 Amb19957849 [0,0,0,0,1,0|3,0,0]=4 2425 B13R2.430 O=C(O)c1ccc2cnoc2c1 Amb27982959 [0,0,0,0,1,0|3,0,0]=4 2426 B13R2.430 O=C(O)c1ccc2cnsc2c1 Amb22754833 [0,0,0,0,1,0|3,0,0]=4 2427 B13R2.430 O=C(O)c1ccc2nccn2c1 Amb24081838 [0,0,0,0,1,0|3,0,0]=4 2428 B13R2.430 O=C(O)c1ccc2nccn2c1 Amb2436455 [0,0,0,0,1,0|3,0,0]=4 2429 B13R2.430 O=C(O)c1ccc2nccn2c1 Amb8629926 [0,0,0,0,1,0|3,0,0]=4 2430 B13R2.430 O=C(O)c1ccc2ncoc2c1 Amb8629960 [0,0,0,0,1,0|3,0,0]=4 2431 B13R2.430 O=C(O)c1ccc2ncsc2c1 Amb1207386 [0,0,0,0,1,0|3,0,0]=4 2432 B13R2.430 O=C(O)c1ccc2occc2c1 Amb2723107 [0,0,0,0,1,0|2,0,0]=3 2433 B13R2.430 O=C(O)c1ccc2occc2n1 Amb18645762 [0,0,0,0,1,0|3,0,0]=4 2434 B13R2.430 O=C(O)c1ccc2ocnc2c1 Amb5730401 [0,0,0,0,1,0|3,0,0]=4 2435 B13R2.430 O=C(O)c1ccc2oncc2c1 Amb26477875 [0,0,0,0,1,0|3,0,0]=4 2436 B13R2.430 O=C(O)c1ccc2sccc2c1 Amb1995219 [0,0,0,0,1,0|2,0,0]=3 2437 B13R2.430 O=C(O)c1ccc2sccc2n1 Amb18128400 [0,0,0,0,1,0|3,0,0]=4 2438 B13R2.430 O=C(O)c1ccc2scnc2c1 Amb1994154 [0,0,0,0,1,0|3,0,0]=4 2439 B13R2.430 O=C(O)c1ccc2sncc2c1 Amb24330535 [0,0,0,0,1,0|3,0,0]=4 2440 B13R2.430 O=C(O)c1ccn2cccc2c1 Amb26600537 [0,0,0,0,1,0|2,0,0]=3 2441 B13R2.430 O=C(O)c1ccn2ccnc2c1 Amb10071160 [0,0,0,0,1,0|3,0,0]=4 2442 B13R2.430 O=C(O)c1ccn2ccnc2c1 Amb8629925 [0,0,0,0,1,0|3,0,0]=4 2443 B13R2.430 O=C(O)c1ccn2cncc2c1 Amb19957708 [0,0,0,0,1,0|3,0,0]=4 2444 B13R2.430 O=C(O)c1ccn2cncc2c1 Amb22039446 [0,0,0,0,1,0|3,0,0]=4 2445 B13R2.430 O=C(O)c1ccn2cncc2c1 Amb22728035 [0,0,0,0,1,0|3,0,0]=4 2446 B13R2.430 O=C(O)c1ccn2nccc2c1 Amb22235529 [0,0,0,0,1,0|3,0,0]=4 2447 B13R2.430 O=C(O)c1cn2cccc2cn1 Amb22747148 [0,0,0,0,1,0|3,0,0]=4 2448 B13R2.430 O=C(O)c1cnc2ccoc2c1 Amb13890160 [0,0,0,0,1,0|3,0,0]=4 2449 B13R2.430 O=C(O)c1cnc2ccsc2c1 Amb18648242 [0,0,0,0,1,0|3,0,0]=4 2450 B13R2.430 O=C(O)c1cnc2occc2c1 Amb18645764 [0,0,0,0,1,0|3,0,0]=4 2451 B13R2.430 O=C(O)c1cnc2sccc2c1 Amb18648241 [0,0,0,0,1,0|3,0,0]=4 2452 B13R2.430 O=N(=O)c1ccc2sccc2c1 Amb20619412 [0,0,0,0,1,0|3,0,0]=4 2453 B13R2.430 O=[N+]([O-])c1ccc2c(c1)C=CC2 Amb10070639 [0,0,0,0,1,0|2,0,1]=4 2454 B13R2.430 O=[N+]([O-])c1ccc2c(c1)CC=C2 Amb24379489 [0,0,0,0,1,0|2,0,1]=4 2455 B13R2.430 O=[N+]([O-])c1ccc2ccsc2c1 Amb22755939 [0,0,0,0,1,0|3,0,0]=4 2456 B13R2.430 O=[N+]([O-])c1ccc2occc2c1 Amb2425547 [0,0,0,0,1,0|3,0,0]=4 2457 B13R2.430 O=[N+]([O-])c1ccc2sccc2c1 Amb8629106 [0,0,0,0,1,0|3,0,0]=4 2458 B13R2.435 C=C(C)c1cc2ccccc2s1 Amb27218285 [0,0,0,0,1,0|2,0,0]=3 2459 B13R2.435 C=C(C)c1cc2ccccn2c1 Amb27777038 [0,0,0,0,1,0|2,0,0]=3 2460 B13R2.435 C=C(C)c1cc2ccccn2n1 Amb27590342 [0,0,0,0,1,0|3,0,0]=4 2461 B13R2.435 CC(=O)C1=Cc2ccccc2C1 Amb17777848 [0,0,0,0,1,0|0,0,1]=2 2462 B13R2.435 CC(=O)C1Cc2ccccc2C1 Amb10071756 [0,0,0,0,1,0|0,0,3]=4 2463 B13R2.435 CC(=O)C1Cc2ccccc2N1 Amb28423109 [0,0,0,0,1,0|1,0,2]=4 2464 B13R2.435 CC(=O)C1Cc2ccccc2O1 Amb23586288 [0,0,0,0,1,0|1,0,2]=4 2465 B13R2.435 CC(=O)N1Cc2ccccc2C1 Amb26627508 [0,0,0,0,1,0|1,0,2]=4 2466 B13R2.435 CC(=O)c1cc2ccccc2o1 Amb1212626 [0,0,0,0,1,0|1,0,0]=2 2467 B13R2.435 CC(=O)c1cc2ccccc2s1 Amb5719845 [0,0,0,0,1,0|1,0,0]=2 2468 B13R2.435 CC(=O)c1cc2ccccn2c1 Amb10607345 [0,0,0,0,1,0|1,0,0]=2 2469 B13R2.435 CC(=O)c1cc2cccnc2s1 Amb18195959 [0,0,0,0,1,0|2,0,0]=3 2470 B13R2.435 CC(=O)c1cc2ccncc2o1 Amb18830115 [0,0,0,0,1,0|2,0,0]=3 2471 B13R2.435 CC(=O)c1cc2ccncc2s1 Amb18825003 [0,0,0,0,1,0|2,0,0]=3 2472 B13R2.435 CC(=O)c1cc2cnccc2o1 Amb18830138 [0,0,0,0,1,0|2,0,0]=3 2473 B13R2.435 CC(=O)c1cc2cnccc2s1 Amb18195960 [0,0,0,0,1,0|2,0,0]=3 2474 B13R2.435 CC(=O)c1cc2cncnc2s1 Amb18678304 [0,0,0,0,1,0|3,0,0]=4 2475 B13R2.435 CC(=O)c1cc2cncnn2c1 Amb25939250 [0,0,0,0,1,0|3,0,0]=4 2476 B13R2.435 CC(=O)c1cc2cnncc2s1 Amb27177966 [0,0,0,0,1,0|3,0,0]=4 2477 B13R2.435 CC(=O)c1cc2ncccn2n1 Amb26629304 [0,0,0,0,1,0|3,0,0]=4 2478 B13R2.435 CC(=O)c1cc2nccnc2o1 Amb18829866 [0,0,0,0,1,0|3,0,0]=4 2479 B13R2.435 CC(=O)c1cc2nccnc2s1 Amb18824895 [0,0,0,0,1,0|3,0,0]=4 2480 B13R2.435 CC(=O)c1cn2ccccc2n1 Amb21963117 [0,0,0,0,1,0|2,0,0]=3 2481 B13R2.435 CC(=O)c1cn2cccnc2n1 Amb25892776 [0,0,0,0,1,0|3,0,0]=4 2482 B13R2.435 CC(=O)c1nc2ccccc2o1 Amb19957805 [0,0,0,0,1,0|2,0,0]=3 2483 B13R2.435 CC(=O)c1nc2ccccc2s1 Amb1655468 [0,0,0,0,1,0|2,0,0]=3 2484 B13R2.435 CC(=O)c1nc2ccccn2n1 Amb27782530 [0,0,0,0,1,0|3,0,0]=4 2485 B13R2.435 CC(=O)c1nc2cnccc2s1 Amb28241782 [0,0,0,0,1,0|3,0,0]=4 2486 B13R2.435 CC(=O)c1nc2ncccc2o1 Amb18829843 [0,0,0,0,1,0|3,0,0]=4 2487 B13R2.435 CC(=O)n1cc2ccccc2c1 Amb25831153 [0,0,0,0,1,0|1,0,0]=2 2488 B13R2.435 CC(=O)n1cc2ccccc2n1 Amb25876913 [0,0,0,0,1,0|2,0,0]=3 2489 B13R2.435 CC(=O)n1nc2ccccc2n1 Amb27453474 [0,0,0,0,1,0|3,0,0]=4 2490 B13R2.435 CC(Br)c1cc2ccccc2o1 Amb8835418 [0,0,0,0,1,0|2,0,1]=4 2491 B13R2.435 CC(C)C1=Cc2ccccc2C1 Amb27480774 [0,0,0,0,1,0|1,0,2]=4 2492 B13R2.435 CC(N)c1cc2ccccc2o1 Amb32409843 [0,0,0,0,1,0|2,0,1]=4 2493 B13R2.435 CC(N)c1cc2ccccc2o1 Amb9723188 [0,0,0,0,1,0|2,0,1]=4 2494 B13R2.435 CC(N)c1cc2ccccc2s1 Amb33463036 [0,0,0,0,1,0|2,0,1]=4 2495 B13R2.435 CC(N)c1cc2ccccc2s1 Amb3788266 [0,0,0,0,1,0|2,0,1]=4 2496 B13R2.435 CC(O)c1cc2ccccc2o1 Amb433076 [0,0,0,0,1,0|1,0,2]=4 2497 B13R2.435 CC(O)c1cc2ccccc2s1 Amb8395817 [0,0,0,0,1,0|1,0,2]=4 2498 B13R2.435 CC(S)c1cc2ccccc2o1 Amb7784740 [0,0,0,0,1,0|1,1,1]=4 2499 B13R2.435 CC(S)c1cc2ccccc2s1 Amb27397301 [0,0,0,0,1,0|1,1,1]=4 2500 B13R2.435 C[C@@H](N)c1cc2ccccc2o1 Amb13952989 [0,0,0,0,1,0|2,0,1]=4 2501 B13R2.435 C[C@@H](N)c1cc2ccccc2o1 Amb32758677 [0,0,0,0,1,0|2,0,1]=4 2502 B13R2.435 C[C@@H](N)c1cc2ccccc2s1 Amb25326391 [0,0,0,0,1,0|2,0,1]=4 2503 B13R2.435 C[C@@H](O)c1cc2ccccc2o1 Amb13952988 [0,0,0,0,1,0|1,0,2]=4 2504 B13R2.435 C[C@@H](O)c1cc2ccccc2s1 Amb27264851 [0,0,0,0,1,0|1,0,2]=4 2505 B13R2.435 C[C@H](N)c1cc2ccccc2o1 Amb13952990 [0,0,0,0,1,0|2,0,1]=4 2506 B13R2.435 C[C@H](N)c1cc2ccccc2o1 Amb30584894 [0,0,0,0,1,0|2,0,1]=4 2507 B13R2.435 C[C@H](N)c1cc2ccccc2s1 Amb24670237 [0,0,0,0,1,0|2,0,1]=4 2508 B13R2.435 C[C@H](O)c1cc2ccccc2o1 Amb13952987 [0,0,0,0,1,0|1,0,2]=4 2509 B13R2.435 C[C@H](O)c1cc2ccccc2s1 Amb25786143 [0,0,0,0,1,0|1,0,2]=4 2510 B13R2.435 N=C(N)c1cc2ccccc2o1 Amb19374967 [0,0,0,0,1,0|3,0,0]=4 2511 B13R2.435 N=C(N)c1cc2ccccc2s1 Amb23116599 [0,0,0,0,1,0|3,0,0]=4 2512 B13R2.435 NC(=O)C1=Cc2ccccc2C1 Amb22227964 [0,0,0,0,1,0|1,0,1]=3 2513 B13R2.435 NC(=O)c1cc2ccccc2o1 Amb6337587 [0,0,0,0,1,0|2,0,0]=3 2514 B13R2.435 NC(=O)c1cc2ccccc2s1 Amb6341890 [0,0,0,0,1,0|2,0,0]=3 2515 B13R2.435 NC(=O)c1cc2ccccn2c1 Amb26349575 [0,0,0,0,1,0|2,0,0]=3 2516 B13R2.435 NC(=O)c1cc2ccccn2n1 Amb22002382 [0,0,0,0,1,0|3,0,0]=4 2517 B13R2.435 NC(=O)c1cn2ccccc2n1 Amb33551894 [0,0,0,0,1,0|3,0,0]=4 2518 B13R2.435 NC(=O)c1nc2ccccc2o1 Amb22500295 [0,0,0,0,1,0|3,0,0]=4 2519 B13R2.435 NC(=O)c1nc2ccccc2s1 Amb2565672 [0,0,0,0,1,0|3,0,0]=4 2520 B13R2.435 NC(=O)n1cc2ccccc2n1 Amb27983685 [0,0,0,0,1,0|3,0,0]=4 2521 B13R2.435 NC(=S)c1cc2ccccc2o1 Amb8834038 [0,0,0,0,1,0|2,1,0]=4 2522 B13R2.435 NC(=S)c1cc2ccccc2s1 Amb28043019 [0,0,0,0,1,0|2,1,0]=4 2523 B13R2.435 O=C(Cl)c1cc2ccccc2o1 Amb2684582 [0,0,0,0,1,0|2,0,0]=3 2524 B13R2.435 O=C(Cl)c1cc2ccccc2s1 Amb2723175 [0,0,0,0,1,0|2,0,0]=3 2525 B13R2.435 O=C(Cl)c1cc2ccccn2c1 Amb27259695 [0,0,0,0,1,0|2,0,0]=3 2526 B13R2.435 O=C(Cl)c1cc2cccnc2s1 Amb22736489 [0,0,0,0,1,0|3,0,0]=4 2527 B13R2.435 O=C(Cl)c1cc2cccnc2s1 Amb27185816 [0,0,0,0,1,0|3,0,0]=4 2528 B13R2.435 O=C(Cl)c1nc2ccccc2s1 Amb2723093 [0,0,0,0,1,0|3,0,0]=4 2529 B13R2.435 O=C(O)C1=Cc2ccccc2C1 Amb10553818 [0,0,0,0,1,0|1,0,1]=3 2530 B13R2.435 O=C(O)C1=Nc2ccccc2C1 Amb24078944 [0,0,0,0,1,0|2,0,1]=4 2531 B13R2.435 O=C(O)c1cc2ccccc2[se]1 Amb2611625 [0,0,0,0,1,0|2,0,0]=3 2532 B13R2.435 O=C(O)c1cc2ccccc2o1 Amb1203290 [0,0,0,0,1,0|2,0,0]=3 2533 B13R2.435 O=C(O)c1cc2ccccc2s1 Amb6335225 [0,0,0,0,1,0|2,0,0]=3 2534 B13R2.435 O=C(O)c1cc2ccccn2c1 Amb2610302 [0,0,0,0,1,0|2,0,0]=3 2535 B13R2.435 O=C(O)c1cc2ccccn2n1 Amb2235996 [0,0,0,0,1,0|3,0,0]=4 2536 B13R2.435 O=C(O)c1cc2cccnc2o1 Amb8383389 [0,0,0,0,1,0|3,0,0]=4 2537 B13R2.435 O=C(O)c1cc2cccnc2s1 Amb2723080 [0,0,0,0,1,0|3,0,0]=4 2538 B13R2.435 O=C(O)c1cc2ccncc2o1 Amb18645760 [0,0,0,0,1,0|3,0,0]=4 2539 B13R2.435 O=C(O)c1cc2ccncc2s1 Amb18824745 [0,0,0,0,1,0|3,0,0]=4 2540 B13R2.435 O=C(O)c1cc2cnccc2o1 Amb18645761 [0,0,0,0,1,0|3,0,0]=4 2541 B13R2.435 O=C(O)c1cc2cnccc2s1 Amb18648240 [0,0,0,0,1,0|3,0,0]=4 2542 B13R2.435 O=C(O)c1cc2ncccc2o1 Amb17774703 [0,0,0,0,1,0|3,0,0]=4 2543 B13R2.435 O=C(O)c1cc2ncccc2o1 Amb7173138 [0,0,0,0,1,0|3,0,0]=4 2544 B13R2.435 O=C(O)c1cc2ncccc2s1 Amb9677586 [0,0,0,0,1,0|3,0,0]=4 2545 B13R2.435 O=C(O)c1cn2ccccc2n1 Amb1106602 [0,0,0,0,1,0|3,0,0]=4 2546 B13R2.435 O=C(O)c1cn2ccccc2n1 Amb19514889 [0,0,0,0,1,0|3,0,0]=4 2547 B13R2.435 O=C(O)c1cn2ccccc2n1 Amb2688822 [0,0,0,0,1,0|3,0,0]=4 2548 B13R2.435 O=C(O)c1nc2ccccc2o1 Amb10066905 [0,0,0,0,1,0|3,0,0]=4 2549 B13R2.435 O=C(O)c1nc2ccccc2s1 Amb17622301 [0,0,0,0,1,0|3,0,0]=4 2550 B13R2.435 O=C(O)c1nc2ccccc2s1 Amb3428729 [0,0,0,0,1,0|3,0,0]=4 2551 B13R2.435 O=C([O-])c1cn2ccccc2n1 Amb19665498 [0,0,0,0,1,0|3,0,0]=4 2552 B13R2.435 O=C([O-])c1nc2ccccc2o1 Amb19651173 [0,0,0,0,1,0|3,0,0]=4 2553 B13R2.435 O=C([O-])c1nc2ccccc2o1 Amb19944614 [0,0,0,0,1,0|3,0,0]=4 2554 B13R2.435 O=C([O-])c1nc2ccccc2o1 Amb21961465 [0,0,0,0,1,0|3,0,0]=4 2555 B13R2.435 O=C([O-])c1nc2ccccc2s1 Amb1103264 [0,0,0,0,1,0|3,0,0]=4 2556 B13R2.435 O=C([O-])c1nc2ccccc2s1 Amb2354722 [0,0,0,0,1,0|3,0,0]=4 2557 B13R2.435 O=S([O-])c1cc2ccccc2o1 Amb32754314 [0,0,0,0,1,0|3,0,0]=4 2558 B13R2.435 O=[N+]([O-])c1cc2ccccc2o1 Amb19958202 [0,0,0,0,1,0|3,0,0]=4 2559 B15R2.1237 NC(=O)C1=Cc2ccccc2SCC1 Amb27248317 [0,0,0,0,0,1|1,0,2]=4 2560 B15R2.1237 O=C(O)C1=CC=Cc2ccccc2C1 Amb27232905 [0,0,0,0,0,1|1,0,1]=3 2561 B15R2.1237 O=C(O)C1=Cc2ccccc2CCC1 Amb25808770 [0,0,0,0,0,1|1,0,2]=4 2562 B15R2.1237 O=C(O)C1=Cc2ccccc2OC=C1 Amb899755 [0,0,0,0,0,1|1,0,0]=2 2563 B15R2.1237 O=C(O)C1CC=Cc2ccccc2C1 Amb27983841 [0,0,0,0,0,1|1,0,2]=4 2564 B15R2.1245 CC(=O)N1C=Cc2ccccc2C=C1 Amb25167791 [0,0,0,0,0,1|1,0,0]=2 2565 B15R2.1245 NC(=O)C1=CCc2ccccc2C=C1 Amb27228858 [0,0,0,0,0,1|1,0,0]=2 2566 B15R2.1245 O=C(O)C1=CCc2ccccc2C=C1 Amb28118884 [0,0,0,0,0,1|1,0,0]=2 2567 B15R2.1245 O=C(O)C1=NNc2ccccc2C=C1 Amb27607663 [0,0,0,0,0,1|2,0,0]=3 2568 B15R2.1245 O=[N+]([O-])C1=CNc2ccccc2N=C1 Amb9809956 [0,0,0,0,0,1|3,0,0]=4 2569 B15R2.1245 O=[N+]([O-])C1=NNc2ccccc2C=C1 Amb27423560 [0,0,0,0,0,1|3,0,0]=4 2570 B15R2.1668 C=C(C)Cc1cnc2ccccc2c1 Amb28067703 [0,0,0,0,0,1|2,0,0]=3 2571 B15R2.1668 CC(=O)Cc1cc2ccccc2cn1 Amb27842352 [0,0,0,0,0,1|1,0,0]=2 2572 B15R2.1668 CC(=O)Cc1ccc2ccccc2c1 Amb6674796 [0,0,0,0,0,1|0,0,0]=1 2573 B15R2.1668 CC(=O)Cc1ccc2ccccc2n1 Amb9205983 [0,0,0,0,0,1|1,0,0]=2 2574 B15R2.1668 CC(=O)Cc1ccc2cccnc2c1 Amb32879989 [0,0,0,0,0,1|1,0,0]=2 2575 B15R2.1668 CC(=O)Cc1ccc2ncccc2c1 Amb26618907 [0,0,0,0,0,1|1,0,0]=2 2576 B15R2.1668 CC(=O)Cc1cnc2ccccc2c1 Amb25819490 [0,0,0,0,0,1|1,0,0]=2 2577 B15R2.1668 CC(=O)Cc1cnc2ccccc2n1 Amb18822199 [0,0,0,0,0,1|2,0,0]=3 2578 B15R2.1668 CC(=O)NC1=Cc2ccccc2OC1 Amb28240276 [0,0,0,0,0,1|1,0,1]=3 2579 B15R2.1668 CC(=O)NC1=Nc2ccccc2CN1 Amb25664350 [0,0,0,0,0,1|2,0,1]=4 2580 B15R2.1668 CC(=O)NC1=Nc2ccccc2OC1 Amb28143690 [0,0,0,0,0,1|2,0,1]=4 2581 B15R2.1668 CC(=O)Nc1cc2ccccc2nn1 Amb26522176 [0,0,0,0,0,1|2,0,0]=3 2582 B15R2.1668 CC(=O)Nc1cc2cnccc2cn1 Amb27958006 [0,0,0,0,0,1|2,0,0]=3 2583 B15R2.1668 CC(=O)Nc1ccc2c(c1)C=CCO2 Amb23441459 [0,0,0,0,0,1|1,0,1]=3 2584 B15R2.1668 CC(=O)Nc1ccc2ccccc2c1 Amb967535 [0,0,0,0,0,1|0,0,0]=1 2585 B15R2.1668 CC(=O)Nc1ccc2ccccc2n1 Amb404260 [0,0,0,0,0,1|1,0,0]=2 2586 B15R2.1668 CC(=O)Nc1ccc2cccnc2n1 Amb27259896 [0,0,0,0,0,1|2,0,0]=3 2587 B15R2.1668 CC(=O)Nc1ccc2ccncc2c1 Amb28130451 [0,0,0,0,0,1|1,0,0]=2 2588 B15R2.1668 CC(=O)Nc1ccc2ncccc2c1 Amb8495030 [0,0,0,0,0,1|1,0,0]=2 2589 B15R2.1668 CC(=O)Nc1ccc2nncnc2c1 Amb27481563 [0,0,0,0,0,1|3,0,0]=4 2590 B15R2.1668 CC(=O)Oc1cc2ccccc2cn1 Amb27642977 [0,0,0,0,0,1|1,0,0]=2 2591 B15R2.1668 CC(=O)Oc1ccc2ccccc2c1 Amb4065335 [0,0,0,0,0,1|0,0,0]=1 2592 B15R2.1668 CC(=O)Oc1ccc2nccnc2c1 Amb10553805 [0,0,0,0,0,1|2,0,0]=3 2593 B15R2.1668 CC(=O)\C=C1\COc2ccccc2C1 Amb27480463 [0,0,0,0,0,1|1,0,2]=4 2594 B15R2.1668 CC(=S)Nc1ccc2ccccc2c1 Amb8505022 [0,0,0,0,0,1|0,1,0]=2 2595 B15R2.1668 CC(Br)Cc1ccc2ccccc2c1 Amb27836098 [0,0,0,0,0,1|1,0,1]=3 2596 B15R2.1668 CC(Br)Cc1ccc2ccccc2n1 Amb25731490 [0,0,0,0,0,1|2,0,1]=4 2597 B15R2.1668 CC(Br)Cc1ccc2cccnc2c1 Amb33433336 [0,0,0,0,0,1|2,0,1]=4 2598 B15R2.1668 CC(Br)Cc1ccc2ncccc2c1 Amb33435497 [0,0,0,0,0,1|2,0,1]=4 2599 B15R2.1668 CC(Br)Cc1cnc2ccccc2c1 Amb33434153 [0,0,0,0,0,1|2,0,1]=4 2600 B15R2.1668 CC(C)=Nc1cnc2ccccc2c1 Amb27843716 [0,0,0,0,0,1|2,0,0]=3 2601 B15R2.1668 CC(C)Cc1ccc2ccccc2n1 Amb8629133 [0,0,0,0,0,1|2,0,1]=4 2602 B15R2.1668 CC(C)Cc1ccc2ncccc2c1 Amb8629132 [0,0,0,0,0,1|2,0,1]=4 2603 B15R2.1668 CC(C)Nc1ccc2ncccc2c1 Amb18962797 [0,0,0,0,0,1|2,0,1]=4 2604 B15R2.1668 CC(C)Nc1cnc2ccccc2c1 Amb9556883 [0,0,0,0,0,1|2,0,1]=4 2605 B15R2.1668 CC(C)Oc1ccc2ccccc2c1 Amb24358848 [0,0,0,0,0,1|1,0,1]=3 2606 B15R2.1668 CC(C)Oc1ccc2ccccc2n1 Amb28206293 [0,0,0,0,0,1|2,0,1]=4 2607 B15R2.1668 CC(C)Oc1ccc2cccnc2c1 Amb27959081 [0,0,0,0,0,1|2,0,1]=4 2608 B15R2.1668 CC(C)Oc1cnc2ccccc2c1 Amb27657092 [0,0,0,0,0,1|2,0,1]=4 2609 B15R2.1668 CC(C)Sc1ccc2ccccc2n1 Amb10665721 [0,0,0,0,0,1|2,0,1]=4 2610 B15R2.1668 CC(N)Cc1cc2ccccc2cn1 Amb27964318 [0,0,0,0,0,1|2,0,1]=4 2611 B15R2.1668 CC(N)Cc1ccc2ccccc2c1 Amb9716016 [0,0,0,0,0,1|1,0,1]=3 2612 B15R2.1668 CC(N)Cc1ccc2ccccc2n1 Amb33550317 [0,0,0,0,0,1|2,0,1]=4 2613 B15R2.1668 CC(N)Cc1ccc2ccccc2n1 Amb9206046 [0,0,0,0,0,1|2,0,1]=4 2614 B15R2.1668 CC(N)Cc1ccc2cccnc2c1 Amb19105928 [0,0,0,0,0,1|2,0,1]=4 2615 B15R2.1668 CC(N)Cc1ccc2ccncc2c1 Amb19105763 [0,0,0,0,0,1|2,0,1]=4 2616 B15R2.1668 CC(N)Cc1ccc2cnccc2c1 Amb18353767 [0,0,0,0,0,1|2,0,1]=4 2617 B15R2.1668 CC(N)Cc1ccc2ncccc2c1 Amb19105926 [0,0,0,0,0,1|2,0,1]=4 2618 B15R2.1668 CC(N)Cc1cnc2ccccc2c1 Amb24377651 [0,0,0,0,0,1|2,0,1]=4 2619 B15R2.1668 CC(O)Cc1ccc2ccccc2c1 Amb18319261 [0,0,0,0,0,1|0,0,2]=3 2620 B15R2.1668 CC(O)Cc1ccc2ccccc2n1 Amb20623273 [0,0,0,0,0,1|1,0,2]=4 2621 B15R2.1668 CC(O)Cc1ccc2cccnc2c1 Amb32879493 [0,0,0,0,0,1|1,0,2]=4 2622 B15R2.1668 CC(O)Cc1ccc2ncccc2c1 Amb33143325 [0,0,0,0,0,1|1,0,2]=4 2623 B15R2.1668 CC(O)Cc1cnc2ccccc2c1 Amb28048145 [0,0,0,0,0,1|1,0,2]=4 2624 B15R2.1668 CN(C)Cc1ccc2ccccc2c1 Amb26522356 [0,0,0,0,0,1|2,0,0]=3 2625 B15R2.1668 CN(C)Cc1ccc2ccccc2n1 Amb25672416 [0,0,0,0,0,1|3,0,0]=4 2626 B15R2.1668 CN(C)Cc1cnc2ccccc2c1 Amb27848429 [0,0,0,0,0,1|3,0,0]=4 2627 B15R2.1668 CN(C)Nc1ccc2ccccc2c1 Amb27968516 [0,0,0,0,0,1|2,0,0]=3 2628 B15R2.1668 CN(O)Cc1ccc2ccccc2c1 Amb33362186 [0,0,0,0,0,1|1,0,1]=3 2629 B15R2.1668 CN(O)Cc1ccc2ccccc2n1 Amb33201930 [0,0,0,0,0,1|2,0,1]=4 2630 B15R2.1668 CN(O)Cc1ccc2cccnc2c1 Amb32879523 [0,0,0,0,0,1|2,0,1]=4 2631 B15R2.1668 CN(O)Cc1ccc2ncccc2c1 Amb33143677 [0,0,0,0,0,1|2,0,1]=4 2632 B15R2.1668 CN(O)Cc1cnc2ccccc2c1 Amb33325132 [0,0,0,0,0,1|2,0,1]=4 2633 B15R2.1668 C[C@@H](N)Cc1ccc2ccccc2c1 Amb25213558 [0,0,0,0,0,1|1,0,1]=3 2634 B15R2.1668 C[C@@H](N)Cc1ccc2ccccc2n1 Amb33080324 [0,0,0,0,0,1|2,0,1]=4 2635 B15R2.1668 C[C@@H](N)Cc1ccc2cccnc2c1 Amb32878875 [0,0,0,0,0,1|2,0,1]=4 2636 B15R2.1668 C[C@@H](N)Cc1ccc2ncccc2c1 Amb33148693 [0,0,0,0,0,1|2,0,1]=4 2637 B15R2.1668 C[C@@H](N)Cc1cnc2ccccc2c1 Amb33428980 [0,0,0,0,0,1|2,0,1]=4 2638 B15R2.1668 C[C@@H](O)Cc1ccc2ccccc2c1 Amb33361949 [0,0,0,0,0,1|0,0,2]=3 2639 B15R2.1668 C[C@@H](O)Cc1ccc2ccccc2n1 Amb33201374 [0,0,0,0,0,1|1,0,2]=4 2640 B15R2.1668 C[C@@H](O)Cc1ccc2cccnc2c1 Amb32878872 [0,0,0,0,0,1|1,0,2]=4 2641 B15R2.1668 C[C@@H](O)Cc1ccc2ncccc2c1 Amb33148691 [0,0,0,0,0,1|1,0,2]=4 2642 B15R2.1668 C[C@@H](O)Cc1cnc2ccccc2c1 Amb33323982 [0,0,0,0,0,1|1,0,2]=4 2643 B15R2.1668 C[C@H](N)Cc1ccc2ccccc2c1 Amb28246444 [0,0,0,0,0,1|1,0,1]=3 2644 B15R2.1668 C[C@H](N)Cc1ccc2ccccc2n1 Amb33448716 [0,0,0,0,0,1|2,0,1]=4 2645 B15R2.1668 C[C@H](N)Cc1ccc2cccnc2c1 Amb32878874 [0,0,0,0,0,1|2,0,1]=4 2646 B15R2.1668 C[C@H](N)Cc1ccc2ncccc2c1 Amb33148745 [0,0,0,0,0,1|2,0,1]=4 2647 B15R2.1668 C[C@H](N)Cc1cnc2ccccc2c1 Amb33080151 [0,0,0,0,0,1|2,0,1]=4 2648 B15R2.1668 C[C@H](O)Cc1ccc2ccccc2c1 Amb33361951 [0,0,0,0,0,1|0,0,2]=3 2649 B15R2.1668 C[C@H](O)Cc1ccc2ccccc2n1 Amb33201375 [0,0,0,0,0,1|1,0,2]=4 2650 B15R2.1668 C[C@H](O)Cc1ccc2cccnc2c1 Amb32878873 [0,0,0,0,0,1|1,0,2]=4 2651 B15R2.1668 C[C@H](O)Cc1ccc2ncccc2c1 Amb33148692 [0,0,0,0,0,1|1,0,2]=4 2652 B15R2.1668 C[C@H](O)Cc1cnc2ccccc2c1 Amb33323983 [0,0,0,0,0,1|1,0,2]=4 2653 B15R2.1668 C\[N+]([O-])=C/c1ccc2ccccc2c1 Amb2441922 [0,0,0,0,0,1|1,0,1]=3 2654 B15R2.1668 C\[N+]([O-])=C\c1ccc2ccccc2c1 Amb27666333 [0,0,0,0,0,1|1,0,1]=3 2655 B15R2.1668 FC(F)Oc1ccc2ccccc2c1 Amb6331647 [0,0,0,0,0,1|2,0,1]=4 2656 B15R2.1668 N=C(N)Cc1ccc2ccccc2c1 Amb25072757 [0,0,0,0,0,1|2,0,0]=3 2657 B15R2.1668 N=C(N)Cc1ccc2ccccc2n1 Amb19342940 [0,0,0,0,0,1|3,0,0]=4 2658 B15R2.1668 N=C(N)Cc1ccc2cccnc2c1 Amb32878075 [0,0,0,0,0,1|3,0,0]=4 2659 B15R2.1668 N=C(N)Cc1ccc2ncccc2c1 Amb6743339 [0,0,0,0,0,1|3,0,0]=4 2660 B15R2.1668 N=C(N)Cc1cnc2ccccc2c1 Amb25220710 [0,0,0,0,0,1|3,0,0]=4 2661 B15R2.1668 N=C(N)Nc1cc2ccccc2cn1 Amb25312468 [0,0,0,0,0,1|3,0,0]=4 2662 B15R2.1668 N=C(N)Nc1ccc2ccccc2n1 Amb26055280 [0,0,0,0,0,1|3,0,0]=4 2663 B15R2.1668 N=C(N)Nc1ccc2ncccc2c1 Amb19069994 [0,0,0,0,0,1|3,0,0]=4 2664 B15R2.1668 N=C(N)Sc1ccc2ccccc2c1 Amb27748332 [0,0,0,0,0,1|2,0,0]=3 2665 B15R2.1668 NC(=O)C[n+]1ccc2ccccc2c1 Amb3318614 [0,0,0,0,0,1|2,0,0]=3 2666 B15R2.1668 NC(=O)C[n+]1ccc2ccccc2c1 Amb596331 [0,0,0,0,0,1|2,0,0]=3 2667 B15R2.1668 NC(=O)Cc1cc2ccccc2cn1 Amb28195308 [0,0,0,0,0,1|2,0,0]=3 2668 B15R2.1668 NC(=O)Cc1ccc2ccccc2c1 Amb33551576 [0,0,0,0,0,1|1,0,0]=2 2669 B15R2.1668 NC(=O)Cc1ccc2cccnc2c1 Amb19104316 [0,0,0,0,0,1|2,0,0]=3 2670 B15R2.1668 NC(=O)Cc1ccc2ccncc2c1 Amb19104162 [0,0,0,0,0,1|2,0,0]=3 2671 B15R2.1668 NC(=O)Cc1ccc2cnccc2c1 Amb19104164 [0,0,0,0,0,1|2,0,0]=3 2672 B15R2.1668 NC(=O)Nc1ccc2ccccc2c1 Amb2613780 [0,0,0,0,0,1|1,0,0]=2 2673 B15R2.1668 NC(=S)Cc1ccc2ccccc2c1 Amb28248765 [0,0,0,0,0,1|1,1,0]=3 2674 B15R2.1668 NC(=S)Cc1ccc2ccccc2n1 Amb6742678 [0,0,0,0,0,1|2,1,0]=4 2675 B15R2.1668 NC(=S)Cc1ccc2cccnc2c1 Amb32878074 [0,0,0,0,0,1|2,1,0]=4 2676 B15R2.1668 NC(=S)Cc1ccc2ncccc2c1 Amb6743307 [0,0,0,0,0,1|2,1,0]=4 2677 B15R2.1668 NC(=S)Cc1cnc2ccccc2c1 Amb27604829 [0,0,0,0,0,1|2,1,0]=4 2678 B15R2.1668 NC(=S)N[n+]1ccc2ccccc2c1 Amb28191532 [0,0,0,0,0,1|2,1,0]=4 2679 B15R2.1668 NC(=S)Nc1cc2ccccc2cn1 Amb28146817 [0,0,0,0,0,1|2,1,0]=4 2680 B15R2.1668 NC(=S)Nc1ccc2ccccc2c1 Amb10810178 [0,0,0,0,0,1|1,1,0]=3 2681 B15R2.1668 NC(=S)Nc1ccc2ccncc2c1 Amb27847170 [0,0,0,0,0,1|2,1,0]=4 2682 B15R2.1668 NC(=S)Nc1ccc2ncccc2c1 Amb2431959 [0,0,0,0,0,1|2,1,0]=4 2683 B15R2.1668 NC(=S)Nc1cnc2ccccc2c1 Amb2431962 [0,0,0,0,0,1|2,1,0]=4 2684 B15R2.1668 O=C(Cl)Cc1ccc2ccccc2c1 Amb2689824 [0,0,0,0,0,1|1,0,0]=2 2685 B15R2.1668 O=C(Cl)Nc1ccc2ccccc2c1 Amb35637030 [0,0,0,0,0,1|1,0,0]=2 2686 B15R2.1668 O=C(Cl)Nc1cnc2ccccc2c1 Amb35625503 [0,0,0,0,0,1|2,0,0]=3 2687 B15R2.1668 O=C(Cl)Oc1ccc2ccccc2c1 Amb19930198 [0,0,0,0,0,1|1,0,0]=2 2688 B15R2.1668 O=C(O)CC1=Cc2ccccc2CC1 Amb18649884 [0,0,0,0,0,1|1,0,2]=4 2689 B15R2.1668 O=C(O)C[n+]1ccc2ccccc2c1 Amb2543557 [0,0,0,0,0,1|2,0,0]=3 2690 B15R2.1668 O=C(O)Cc1cc2ccccc2cn1 Amb18191147 [0,0,0,0,0,1|2,0,0]=3 2691 B15R2.1668 O=C(O)Cc1ccc2ccccc2c1 Amb1195907 [0,0,0,0,0,1|1,0,0]=2 2692 B15R2.1668 O=C(O)Cc1ccc2ccccc2n1 Amb20247742 [0,0,0,0,0,1|2,0,0]=3 2693 B15R2.1668 O=C(O)Cc1ccc2ccccc2n1 Amb4303937 [0,0,0,0,0,1|2,0,0]=3 2694 B15R2.1668 O=C(O)Cc1ccc2cccnc2c1 Amb18352976 [0,0,0,0,0,1|2,0,0]=3 2695 B15R2.1668 O=C(O)Cc1ccc2cccnc2n1 Amb28290172 [0,0,0,0,0,1|3,0,0]=4 2696 B15R2.1668 O=C(O)Cc1ccc2cnccc2c1 Amb18352828 [0,0,0,0,0,1|2,0,0]=3 2697 B15R2.1668 O=C(O)Cc1ccc2cnncc2c1 Amb27851596 [0,0,0,0,0,1|3,0,0]=4 2698 B15R2.1668 O=C(O)Cc1ccc2ncccc2c1 Amb33528383 [0,0,0,0,0,1|2,0,0]=3 2699 B15R2.1668 O=C(O)Cc1ccc2nccnc2c1 Amb5730393 [0,0,0,0,0,1|3,0,0]=4 2700 B15R2.1668 O=C(O)Cc1ccc2ncncc2c1 Amb27461003 [0,0,0,0,0,1|3,0,0]=4 2701 B15R2.1668 O=C(O)Cc1cnc2ccccc2c1 Amb18285913 [0,0,0,0,0,1|2,0,0]=3 2702 B15R2.1668 O=C(O)Cc1cnc2ccccc2c1 Amb33527638 [0,0,0,0,0,1|2,0,0]=3 2703 B15R2.1668 O=C(O)Cc1cnc2ccccc2n1 Amb18821189 [0,0,0,0,0,1|3,0,0]=4 2704 B15R2.1668 O=C(O)Nc1ccc2ccccc2n1 Amb24061357 [0,0,0,0,0,1|2,0,0]=3 2705 B15R2.1668 O=C([O-])Cc1ccc2ccccc2n1 Amb20622814 [0,0,0,0,0,1|2,0,0]=3 2706 B15R2.1668 O=C([O-])Cc1ccc2ccccc2n1 Amb23400916 [0,0,0,0,0,1|2,0,0]=3 2707 B15R2.1668 O=S([O-])Cc1ccc2ccccc2c1 Amb32754427 [0,0,0,0,0,1|2,0,0]=3 2708 B15R2.1668 O=[N+]([O-])Cc1ccc2ccccc2c1 Amb33361941 [0,0,0,0,0,1|2,0,0]=3 2709 B15R2.1668 O=[N+]([O-])Cc1ccc2ccccc2n1 Amb24354456 [0,0,0,0,0,1|3,0,0]=4 2710 B15R2.1668 O=[N+]([O-])Cc1ccc2cccnc2c1 Amb32878857 [0,0,0,0,0,1|3,0,0]=4 2711 B15R2.1668 O=[N+]([O-])Cc1ccc2ncccc2c1 Amb33148433 [0,0,0,0,0,1|3,0,0]=4 2712 B15R2.1668 O=[N+]([O-])Cc1cnc2ccccc2c1 Amb33323967 [0,0,0,0,0,1|3,0,0]=4 2713 B15R2.1668 OB(O)Cc1ccc2ccccc2c1 Amb25759675 [0,0,0,0,0,1|2,0,1]=4 2714 B15R2.1668 OB(O)Oc1ccc2ccccc2c1 Amb27228000 [0,0,0,0,0,1|2,0,1]=4 2715 B15R2.1668 S=C(Cl)Oc1ccc2ccccc2c1 Amb8384466 [0,0,0,0,0,1|1,1,0]=3 2716 B15R2.1668 S=C(S)Nc1ccc2ccccc2c1 Amb27268453 [0,0,0,0,0,1|1,1,0]=3 2717 B12R1.71 C=CCCc1ccc(C=O)cc1 Amb24102789 [1,0,1,0,0,0|0,0,2]=4 2718 B12R1.71 C=CCOc1ccc(C=O)cc1 Amb1240568 [1,0,1,0,0,0|1,0,1]=4 2719 B12R1.71 C=C\C=C/c1ccc(C#N)cc1 Amb22546621 [1,0,1,0,0,0|1,0,1]=4 2720 B12R1.71 C=C\C=C/c1ccc(C=O)cc1 Amb24103176 [1,0,1,0,0,0|0,0,0]=2 2721 B12R1.71 C=C\C=C\c1ccc(OC)cc1 Amb22546592 [1,0,1,0,0,0|1,0,0]=3 2722 B12R1.71 CCc1ccc(\C=C\C=O)cc1 Amb17232321 [1,0,1,0,0,0|1,0,1]=4 2723 B12R1.71 CO\C=C\c1ccc(C=O)cc1 Amb18645648 [1,0,1,0,0,0|1,0,1]=4 2724 B12R1.71 COc1ccc(\C=C\C=O)cc1 Amb6296108 [1,0,1,0,0,0|2,0,0]=4 2725 B12R1.71 CSc1ccc(\C=C\C=O)cc1 Amb33136432 [1,0,1,0,0,0|2,0,0]=4 2726 B12R1.71 C\C=C\Oc1ccc(C=O)cc1 Amb25272957 [1,0,1,0,0,0|1,0,1]=4 2727 B12R1.71 N#C\C=C/c1ccc(C=O)cc1 Amb28202277 [1,0,1,0,0,0|1,0,1]=4 2728 B12R1.71 N#C\C=C\c1ccc(C=O)cc1 Amb18644894 [1,0,1,0,0,0|1,0,1]=4 2729 B12R1.71 O=Cc1ccc(\C=C\CO)cc1 Amb27974046 [1,0,1,0,0,0|1,0,1]=4 2730 B12R1.113 C=C=Cc1ccc(C(C)=O)cc1 Amb25142672 [1,0,1,0,0,0|0,0,1]=3 2731 B12R1.113 C=CC[n+]1ccc(C(C)=O)cc1 Amb28249415 [1,0,1,0,0,0|1,0,1]=4 2732 B12R1.113 C=CCc1ccc(C(=O)O)cc1 Amb2699207 [1,0,1,0,0,0|1,0,1]=4 2733 B12R1.113 C=CCc1ccc(C(C)=O)cc1 Amb25359156 [1,0,1,0,0,0|0,0,1]=3 2734 B12R1.113 C=CCc1ccc(C(C)=O)nc1 Amb24583102 [1,0,1,0,0,0|1,0,1]=4 2735 B12R1.113 C=CCc1ccc(C(N)=O)cc1 Amb24091171 [1,0,1,0,0,0|1,0,1]=4 2736 B12R1.113 C=COc1ccc(C(=O)O)cc1 Amb27659008 [1,0,1,0,0,0|2,0,0]=4 2737 B12R1.113 CC(=O)c1ccc(NC=O)cc1 Amb4036187 [1,0,1,0,0,0|2,0,0]=4 2738 B12R1.113 CC(=O)c1ccc(OC=O)cc1 Amb27177479 [1,0,1,0,0,0|2,0,0]=4 2739 B12R1.113 C\C=C/c1ccc(C(N)=O)cc1 Amb26590922 [1,0,1,0,0,0|1,0,1]=4 2740 B12R1.113 C\C=C\c1ccc(C(N)=O)cc1 Amb27644760 [1,0,1,0,0,0|1,0,1]=4 2741 B12R1.113 C\N=C\c1ccc(C(C)=O)cc1 Amb27662193 [1,0,1,0,0,0|1,0,1]=4 2742 B12R1.113 NC(=O)c1ccc(\C=C\Br)cc1 Amb33135062 [1,0,1,0,0,0|2,0,0]=4 2743 B12R1.113 O=C(O)c1ccc(\C=C\Br)cc1 Amb33134836 [1,0,1,0,0,0|2,0,0]=4 2744 B12R1.121 C#Cc1ccccc1\C=C\C=O Amb33080081 [1,0,1,0,0,0|0,0,2]=4 2745 B12R1.121 C=Cc1cccc[n+]1C\C=C\C Amb27479291 [1,0,1,0,0,0|1,0,1]=4 2746 B12R1.121 C=Cc1ccccc1CNC=O Amb27243925 [1,0,1,0,0,0|1,0,1]=4 2747 B12R1.121 CCc1ccccc1\C=C\C=O Amb33079602 [1,0,1,0,0,0|0,0,2]=4 2748 B12R1.121 COc1ccccc1\C=C\C=O Amb6608853 [1,0,1,0,0,0|1,0,1]=4 2749 B12R1.121 CSc1ccccc1\C=C\C=O Amb33448986 [1,0,1,0,0,0|1,0,1]=4 2750 B12R1.121 C\C=C/Oc1ccccc1C=O Amb27268574 [1,0,1,0,0,0|2,0,0]=4 2751 B12R1.121 N#Cc1ccccc1\C=C/C=O Amb28194555 [1,0,1,0,0,0|1,0,1]=4 2752 B12R1.121 N#Cc1ccccc1\C=C\C=O Amb33474618 [1,0,1,0,0,0|1,0,1]=4 2753 B12R1.125 C=C(C)\C=C\c1ccccc1N Amb27627468 [1,0,1,0,0,0|2,0,0]=4 2754 B12R1.125 C=C(C)\C=C\c1ccccc1O Amb25915366 [1,0,1,0,0,0|2,0,0]=4 2755 B12R1.125 CC(=O)\C=C\C1=CC=CNC1=O Amb25780424 [1,0,1,0,0,0|2,0,0]=4 2756 B12R1.125 CC(=O)\C=C\c1cccc[n+]1C Amb3428953 [1,0,1,0,0,0|1,0,1]=4 2757 B12R1.125 CC(=O)\C=C\c1ccccc1Br Amb18068027 [1,0,1,0,0,0|1,0,0]=3 2758 B12R1.125 CC(=O)\C=C\c1ccccc1C Amb32954781 [1,0,1,0,0,0|0,0,1]=3 2759 B12R1.125 CC(=O)\C=C\c1ccccc1Cl Amb2724535 [1,0,1,0,0,0|1,0,0]=3 2760 B12R1.125 CC(=O)\C=C\c1ccccc1F Amb18563599 [1,0,1,0,0,0|1,0,0]=3 2761 B12R1.125 CC(=O)\C=C\c1ccccc1N Amb25975457 [1,0,1,0,0,0|1,0,0]=3 2762 B12R1.125 CC(=O)\C=C\c1ccccc1O Amb24065680 [1,0,1,0,0,0|1,0,0]=3 2763 B12R1.125 CC(=O)\C=C\c1cccnc1Br Amb33388125 [1,0,1,0,0,0|2,0,0]=4 2764 B12R1.125 CC(=O)\C=C\c1cccnc1C Amb32878339 [1,0,1,0,0,0|1,0,1]=4 2765 B12R1.125 CC(=O)\C=C\c1cccnc1Cl Amb33257396 [1,0,1,0,0,0|2,0,0]=4 2766 B12R1.125 CC(=O)\C=C\c1cccnc1F Amb33377142 [1,0,1,0,0,0|2,0,0]=4 2767 B12R1.125 CC(=O)\C=C\c1ccncc1Br Amb33388703 [1,0,1,0,0,0|2,0,0]=4 2768 B12R1.125 CC(=O)\C=C\c1ccncc1C Amb33426426 [1,0,1,0,0,0|1,0,1]=4 2769 B12R1.125 CC(=O)\C=C\c1ccncc1Cl Amb33413822 [1,0,1,0,0,0|2,0,0]=4 2770 B12R1.125 CC(=O)\C=C\c1ccncc1F Amb33316817 [1,0,1,0,0,0|2,0,0]=4 2771 B12R1.125 CC(=O)\C=C\c1cnccc1C Amb33474389 [1,0,1,0,0,0|1,0,1]=4 2772 B12R1.125 CC(=O)\C=C\c1ncccc1Br Amb33336115 [1,0,1,0,0,0|2,0,0]=4 2773 B12R1.125 CC(=O)\C=C\c1ncccc1C Amb33360223 [1,0,1,0,0,0|1,0,1]=4 2774 B12R1.125 CC(=O)\C=C\c1ncccc1F Amb33419610 [1,0,1,0,0,0|2,0,0]=4 2775 B12R1.125 CC(=O)\N=C/c1ccccc1Cl Amb27616938 [1,0,1,0,0,0|2,0,0]=4 2776 B12R1.125 CC(=O)\N=C\c1ccccc1O Amb27592432 [1,0,1,0,0,0|2,0,0]=4 2777 B12R1.125 CS(=O)\C=C/c1ccccc1N Amb28254539 [1,0,1,0,0,0|2,0,0]=4 2778 B12R1.125 Cc1ccccc1\C=C/C(=O)O Amb27871584 [1,0,1,0,0,0|1,0,1]=4 2779 B12R1.125 Cc1ccccc1\C=C\C(=O)Cl Amb2690621 [1,0,1,0,0,0|1,0,1]=4 2780 B12R1.125 Cc1ccccc1\C=C\C(=O)O Amb6555165 [1,0,1,0,0,0|1,0,1]=4 2781 B12R1.125 Cc1ccccc1\C=C\C(N)=O Amb8997714 [1,0,1,0,0,0|1,0,1]=4 2782 B12R1.125 NC(=O)\C=C\c1ccccc1Br Amb8997717 [1,0,1,0,0,0|2,0,0]=4 2783 B12R1.125 NC(=O)\C=C\c1ccccc1F Amb8997697 [1,0,1,0,0,0|2,0,0]=4 2784 B12R1.125 NC(=O)\C=C\c1ccccc1I Amb26608900 [1,0,1,0,0,0|2,0,0]=4 2785 B12R1.125 NC(=O)\C=C\c1ccccc1N Amb28202728 [1,0,1,0,0,0|2,0,0]=4 2786 B12R1.125 NC(=O)\C=C\c1ccccc1O Amb18645808 [1,0,1,0,0,0|2,0,0]=4 2787 B12R1.125 Nc1ccccc1\C=C\C(=O)O Amb17777291 [1,0,1,0,0,0|2,0,0]=4 2788 B12R1.125 O=C(Cl)\C=C/c1ccccc1Cl Amb10070071 [1,0,1,0,0,0|2,0,0]=4 2789 B12R1.125 O=C(Cl)\C=C\c1ccccc1Br Amb16230254 [1,0,1,0,0,0|2,0,0]=4 2790 B12R1.125 O=C(Cl)\C=C\c1ccccc1Cl Amb8629219 [1,0,1,0,0,0|2,0,0]=4 2791 B12R1.125 O=C(Cl)\C=C\c1ccccc1F Amb2688309 [1,0,1,0,0,0|2,0,0]=4 2792 B12R1.125 O=C(O)\C=C\c1ccccc1Br Amb33718813 [1,0,1,0,0,0|2,0,0]=4 2793 B12R1.125 O=C(O)\C=C\c1ccccc1Br Amb6664185 [1,0,1,0,0,0|2,0,0]=4 2794 B12R1.125 O=C(O)\C=C\c1ccccc1Cl Amb6336512 [1,0,1,0,0,0|2,0,0]=4 2795 B12R1.125 O=C(O)\C=C\c1ccccc1F Amb6545502 [1,0,1,0,0,0|2,0,0]=4 2796 B12R1.125 O=C(O)\C=C\c1ccccc1I Amb22584152 [1,0,1,0,0,0|2,0,0]=4 2797 B12R1.125 O=C(O)\C=C\c1ccccc1O Amb8513188 [1,0,1,0,0,0|2,0,0]=4 2798 B12R1.48 C=Cc1ccc(C(=O)O)cc1F Amb28324455 [1,0,1,0,0,0|2,0,0]=4 2799 B12R1.48 CC(=O)c1ccc(C=O)c(F)c1 Amb27239177 [1,0,1,0,0,0|2,0,0]=4 2800 B12R1.114 C=COc1ccc(C=O)cc1Cl Amb28143504 [1,0,1,0,0,0|2,0,0]=4 2801 B12R1.252 CC(=O)C\C=C\c1ccccc1 Amb24740083 [1,0,1,0,0,0|0,0,1]=3 2802 B12R1.252 CC(=O)C\C=N\c1ccccc1 Amb25205414 [1,0,1,0,0,0|1,0,1]=4 2803 B12R1.252 CC(=O)N\N=C\c1ccccc1 Amb2732164 [1,0,1,0,0,0|2,0,0]=4 2804 B12R1.252 CC(=O)O\C=C\c1ccccc1 Amb25829428 [1,0,1,0,0,0|1,0,0]=3 2805 B12R1.252 CC(=O)\C=C/Nc1ccccc1 Amb28461253 [1,0,1,0,0,0|1,0,0]=3 2806 B12R1.252 CC(=O)\C=C\Cc1ccccc1 Amb32954414 [1,0,1,0,0,0|0,0,1]=3 2807 B12R1.252 CC(=O)\C=C\N=C1C=CNC=C1 Amb25351670 [1,0,1,0,0,0|2,0,0]=4 2808 B12R1.252 CC(=O)\C=C\Nc1ccccc1 Amb22266045 [1,0,1,0,0,0|1,0,0]=3 2809 B12R1.252 CC(=O)\C=C\Nc1ccccn1 Amb22490408 [1,0,1,0,0,0|2,0,0]=4 2810 B12R1.252 CC(=O)\C=C\Oc1ccccc1 Amb26528572 [1,0,1,0,0,0|1,0,0]=3 2811 B12R1.252 CC(=O)\C=C\Sc1ccccc1 Amb35789855 [1,0,1,0,0,0|1,0,0]=3 2812 B12R1.252 CC(=O)\C=N\Nc1ccccc1 Amb2425155 [1,0,1,0,0,0|2,0,0]=4 2813 B12R1.252 CC(C)=C\C=C/c1ccccn1 Amb22546609 [1,0,1,0,0,0|2,0,0]=4 2814 B12R1.252 CC(C)=C\C=C\c1ccccc1 Amb28143072 [1,0,1,0,0,0|1,0,0]=3 2815 B12R1.252 C\C(N)=N\C=C\c1ccccc1 Amb28457490 [1,0,1,0,0,0|2,0,0]=4 2816 B12R1.252 O=C(Cl)C\C=C\c1ccccc1 Amb25269722 [1,0,1,0,0,0|1,0,1]=4 2817 B12R1.252 O=C(O)C=C=Cc1ccccc1 Amb25102534 [1,0,1,0,0,0|1,0,1]=4 2818 B12R1.252 O=C(O)C\C=C\c1ccccc1 Amb6280352 [1,0,1,0,0,0|1,0,1]=4 2819 B12R1.252 O=C(O)\C=C/Sc1ccccc1 Amb3940780 [1,0,1,0,0,0|2,0,0]=4 2820 B12R1.252 O=C(O)\C=C\Cc1ccccc1 Amb8392409 [1,0,1,0,0,0|1,0,1]=4 2821 B12R1.252 O=C(O)\C=C\Sc1ccccc1 Amb1661597 [1,0,1,0,0,0|2,0,0]=4 2822 B12R1.252 O=C([O-])\C=C\Sc1ccccc1 Amb534252 [1,0,1,0,0,0|2,0,0]=4 2823 B12R1.267 C\C=C/C=C\c1ccccc1O Amb28122369 [1,0,1,0,0,0|1,0,0]=3 2824 B12R1.267 Nc1ccccc1N\C=C/C=O Amb27876581 [1,0,1,0,0,0|2,0,0]=4 2825 B12R1.43 C=C(Cc1ccccc1)C(=O)Cl Amb27416413 [1,0,1,0,0,0|1,0,1]=4 2826 B12R1.43 C=C(Cc1ccccc1)C(=O)O Amb8393733 [1,0,1,0,0,0|1,0,1]=4 2827 B12R1.43 CC(=O)C(=O)Cc1ccccc1 Amb23603619 [1,0,1,0,0,0|1,0,1]=4 2828 B12R1.43 CC(=O)C(=O)Nc1ccccc1 Amb2383839 [1,0,1,0,0,0|2,0,0]=4 2829 B12R1.43 CC(=O)\C(Br)=C\c1ccccc1 Amb17596166 [1,0,1,0,0,0|1,0,0]=3 2830 B12R1.43 CC(=O)\C(C)=C\c1ccccc1 Amb17594004 [1,0,1,0,0,0|0,0,1]=3 2831 B12R1.43 CC(=O)\C(C)=C\c1cccnc1 Amb25373091 [1,0,1,0,0,0|1,0,1]=4 2832 B12R1.43 CC(=O)\C(C)=N\c1ccccc1 Amb24537849 [1,0,1,0,0,0|1,0,1]=4 2833 B12R1.43 C\C(=C/c1ccccc1)C(=O)Cl Amb24061289 [1,0,1,0,0,0|1,0,1]=4 2834 B12R1.43 C\C(=C/c1ccccc1)C(=O)O Amb8513246 [1,0,1,0,0,0|1,0,1]=4 2835 B12R1.43 C\C(=C\c1ccccc1)C(=O)O Amb24603461 [1,0,1,0,0,0|1,0,1]=4 2836 B12R1.43 NC(=O)\C(Cl)=C\c1ccccc1 Amb3724521 [1,0,1,0,0,0|2,0,0]=4 2837 B12R1.43 N\C(=C/c1ccccc1)C(=O)O Amb24081025 [1,0,1,0,0,0|2,0,0]=4 2838 B12R1.43 N\C(=C\c1ccccc1)C(=O)O Amb27148014 [1,0,1,0,0,0|2,0,0]=4 2839 B12R1.43 O=C(Cl)\C(F)=C/c1ccccc1 Amb27416385 [1,0,1,0,0,0|2,0,0]=4 2840 B12R1.43 O=C(O)\C(Br)=C\c1ccccc1 Amb2794045 [1,0,1,0,0,0|2,0,0]=4 2841 B12R1.43 O=C(O)\C(Cl)=C/c1ccccc1 Amb18648695 [1,0,1,0,0,0|2,0,0]=4 2842 B12R1.43 O=C(O)\C(Cl)=C\c1ccccc1 Amb19651416 [1,0,1,0,0,0|2,0,0]=4 2843 B12R1.43 O=C(O)\C(F)=C\c1ccccc1 Amb24093652 [1,0,1,0,0,0|2,0,0]=4 2844 B12R1.43 O=C(O)\C(S)=C/c1ccccc1 Amb2550972 [1,0,1,0,0,0|2,0,0]=4 2845 B12R1.43 O=C(O)\C(S)=C\c1ccccc1 Amb1250109 [1,0,1,0,0,0|2,0,0]=4 2846 B12R1.371 C\C(C=O)=C/c1ccccc1C Amb17334495 [1,0,1,0,0,0|0,0,2]=4 2847 B12R1.371 C\C(C=O)=C/c1ccccc1Cl Amb17335454 [1,0,1,0,0,0|1,0,1]=4 2848 B12R1.371 C\C(C=O)=C/c1ccccc1F Amb17334598 [1,0,1,0,0,0|1,0,1]=4 2849 B12R1.371 C\C(C=O)=C\c1ccccc1O Amb28457572 [1,0,1,0,0,0|1,0,1]=4 2850 B12R1.371 Cc1ccccc1\C=C(/F)C=O Amb27851468 [1,0,1,0,0,0|1,0,1]=4 2851 B12R1.27 C=C(\C=C\c1ccccc1)CBr Amb33081080 [1,0,1,0,0,0|1,0,1]=4 2852 B12R1.27 C=C(\C=C\c1ccccc1)CCl Amb33081096 [1,0,1,0,0,0|1,0,1]=4 2853 B12R1.27 C=C(\C=C\c1ccccc1)CN Amb33080787 [1,0,1,0,0,0|1,0,1]=4 2854 B12R1.27 C=CC(=O)\C=C\c1ccccc1 Amb33503118 [1,0,1,0,0,0|1,0,1]=4 2855 B12R1.27 CC(C=O)\C=C\c1ccccc1 Amb33081219 [1,0,1,0,0,0|0,0,2]=4 2856 B12R1.27 CCC(=O)\C=C\c1ccccc1 Amb10565332 [1,0,1,0,0,0|1,0,1]=4 2857 B12R1.27 COC(=O)\C=C\c1ccccc1 Amb33716217 [1,0,1,0,0,0|2,0,0]=4 2858 B12R1.27 COC(=O)\C=C\c1ccccc1 Amb8515074 [1,0,1,0,0,0|2,0,0]=4 2859 B12R1.27 C\C(C=O)=C/Nc1ccccc1 Amb18645511 [1,0,1,0,0,0|1,0,1]=4 2860 B12R1.27 O=C\C(Cl)=C\Nc1ccccc1 Amb25797781 [1,0,1,0,0,0|2,0,0]=4 2861 B12R1.27 O=C\C(F)=C\Cc1ccccc1 Amb27166149 [1,0,1,0,0,0|1,0,1]=4 2862 B12R1.27 O=C\C(O)=C/Nc1ccccc1 Amb27476557 [1,0,1,0,0,0|2,0,0]=4 2863 B12R1.56 CC(=O)c1ccc(Cl)c(C=O)c1 Amb28370008 [1,0,1,0,0,0|2,0,0]=4 2864 B12R1.56 CC(=O)c1ccc(O)c(C=O)c1 Amb18645957 [1,0,1,0,0,0|2,0,0]=4 2865 B12R1.270 C=CCc1cc(C=O)ccc1O Amb2496484 [1,0,1,0,0,0|1,0,1]=4 2866 B12R1.279 C=CCc1cccc(C(=O)O)c1 Amb2699206 [1,0,1,0,0,0|1,0,1]=4 2867 B12R1.279 C=CCc1cccc(C(C)=O)c1 Amb20247747 [1,0,1,0,0,0|0,0,1]=3 2868 B12R1.279 C=CCc1cncc(C(C)=O)c1 Amb27613517 [1,0,1,0,0,0|1,0,1]=4 2869 B12R1.279 C=COc1cccc(C(C)=O)c1 Amb25978740 [1,0,1,0,0,0|1,0,0]=3 2870 B12R1.279 C\C=C\c1cccc(C(C)=O)c1 Amb8394460 [1,0,1,0,0,0|0,0,1]=3 2871 B12R1.279 NC(=O)c1cccc(\C=C\Br)c1 Amb33135162 [1,0,1,0,0,0|2,0,0]=4 2872 B12R1.279 O=C(O)c1cccc(\C=C\Br)c1 Amb33134972 [1,0,1,0,0,0|2,0,0]=4 2873 B12R1.279 O=C(O)c1cccc(\C=C\Cl)c1 Amb27454836 [1,0,1,0,0,0|2,0,0]=4 2874 B12R1.118 C=C\C(=C/c1ccccc1)CO Amb27981982 [1,0,1,0,0,0|0,0,2]=4 2875 B12R1.118 CC\C(C=O)=C/c1ccccc1 Amb615951 [1,0,1,0,0,0|0,0,2]=4 2876 B12R1.118 CO\C(C=O)=C\c1ccccc1 Amb17594035 [1,0,1,0,0,0|1,0,1]=4 2877 B12R1.118 CS\C(C=O)=C/c1ccccc1 Amb27614686 [1,0,1,0,0,0|1,0,1]=4 2878 B12R1.118 C\C=C(/C=O)Cc1ccccc1 Amb25743406 [1,0,1,0,0,0|0,0,2]=4 2879 B12R1.118 O=CC(C=O)=Cc1ccccc1 Amb18645276 [1,0,1,0,0,0|1,0,0]=3 2880 B12R1.118 O=C\C(=C/O)Cc1ccccc1 Amb27630435 [1,0,1,0,0,0|1,0,1]=4 2881 B12R1.118 O=C\C(=C/O)Oc1ccccc1 Amb24625847 [1,0,1,0,0,0|2,0,0]=4 2882 B12R1.118 O=C\C(=C/c1ccccc1)CCl Amb27640646 [1,0,1,0,0,0|1,0,1]=4 2883 B12R1.118 O=C\C(=C\Cl)Cc1ccccc1 Amb27984848 [1,0,1,0,0,0|1,0,1]=4 2884 B12R1.118 O=C\C(=C\c1ccccc1)CO Amb27769967 [1,0,1,0,0,0|1,0,1]=4 2885 B12R1.382 C=CCCc1cccc(C=O)c1 Amb24085224 [1,0,1,0,0,0|0,0,2]=4 2886 B12R1.382 C=CCNc1cccc(C=O)c1 Amb27251573 [1,0,1,0,0,0|1,0,1]=4 2887 B12R1.382 C=CCOc1cccc(C=O)c1 Amb1227717 [1,0,1,0,0,0|1,0,1]=4 2888 B12R1.382 C=C\C=C/c1cccc(C=O)c1 Amb24085624 [1,0,1,0,0,0|0,0,0]=2 2889 B12R1.382 CCc1cccc(\C=C\C=O)c1 Amb32875440 [1,0,1,0,0,0|1,0,1]=4 2890 B12R1.382 COc1cccc(\C=C\C=O)c1 Amb17232402 [1,0,1,0,0,0|2,0,0]=4 2891 B12R1.382 CSc1cccc(\C=C\C=O)c1 Amb33148825 [1,0,1,0,0,0|2,0,0]=4 2892 B12R1.382 O=Cc1cccc(\C=C\CO)c1 Amb27980713 [1,0,1,0,0,0|1,0,1]=4 2893 B12R1.78 C=Cc1cc(C=O)ccc1OC Amb32682039 [1,0,1,0,0,0|1,0,1]=4 2894 B12R1.78 C=Cc1cc(OC)ccc1C=O Amb25117921 [1,0,1,0,0,0|2,0,0]=4 2895 B12R1.78 C=Cc1ccc(OC)cc1C=O Amb18645651 [1,0,1,0,0,0|2,0,0]=4 2896 B12R2.24 Brc1cc2ccccc2cn1 Amb8438943 [2,0,0,0,0,0|2,0,0]=4 2897 B12R2.24 Brc1cc[n+]2ccccc2c1 Amb2613514 [2,0,0,0,0,0|2,0,0]=4 2898 B12R2.24 Brc1ccc2cccc[n+]2c1 Amb24392821 [2,0,0,0,0,0|2,0,0]=4 2899 B12R2.24 Brc1ccc2ccccc2c1 Amb1159157 [2,0,0,0,0,0|1,0,0]=3 2900 B12R2.24 Brc1ccc2ccccc2n1 Amb8397285 [2,0,0,0,0,0|2,0,0]=4 2901 B12R2.24 Brc1ccc2cccnc2c1 Amb8397712 [2,0,0,0,0,0|2,0,0]=4 2902 B12R2.24 Brc1ccc2ccncc2c1 Amb22276934 [2,0,0,0,0,0|2,0,0]=4 2903 B12R2.24 Brc1ccc2ccncc2c1 Amb7101503 [2,0,0,0,0,0|2,0,0]=4 2904 B12R2.24 Brc1ccc2cnccc2c1 Amb33140904 [2,0,0,0,0,0|2,0,0]=4 2905 B12R2.24 Brc1ccc2cnccc2c1 Amb7101488 [2,0,0,0,0,0|2,0,0]=4 2906 B12R2.24 Brc1ccc2ncccc2c1 Amb1033034 [2,0,0,0,0,0|2,0,0]=4 2907 B12R2.24 Brc1ccc2ncccc2c1 Amb19516224 [2,0,0,0,0,0|2,0,0]=4 2908 B12R2.24 Brc1cnc2ccccc2c1 Amb2722485 [2,0,0,0,0,0|2,0,0]=4 2909 B12R2.24 CC1=Cc2ccccc2CC1 Amb31292543 [2,0,0,0,0,0|0,0,2]=4 2910 B12R2.24 CC1=Cc2ccccc2CN1 Amb28322961 [2,0,0,0,0,0|1,0,1]=4 2911 B12R2.24 CC1=Cc2ccccc2NC1 Amb18559652 [2,0,0,0,0,0|1,0,1]=4 2912 B12R2.24 CC1C=Cc2ccccc2N1 Amb17593644 [2,0,0,0,0,0|1,0,1]=4 2913 B12R2.24 C[n+]1ccc2ccccc2c1 Amb1147460 [2,0,0,0,0,0|1,0,0]=3 2914 B12R2.24 C[n+]1ccc2ccccc2c1 Amb2609709 [2,0,0,0,0,0|1,0,0]=3 2915 B12R2.24 C[n+]1ccc2ncccc2c1 Amb2610099 [2,0,0,0,0,0|2,0,0]=4 2916 B12R2.24 C[n+]1ccc2ncccc2c1 Amb32454864 [2,0,0,0,0,0|2,0,0]=4 2917 B12R2.24 Cc1cc2ccccc2cn1 Amb8395994 [2,0,0,0,0,0|1,0,0]=3 2918 B12R2.24 Cc1cc2ccncc2cn1 Amb28250070 [2,0,0,0,0,0|2,0,0]=4 2919 B12R2.24 Cc1ccc2c(c1)C=CCN2 Amb18062199 [2,0,0,0,0,0|1,0,1]=4 2920 B12R2.24 Cc1ccc2c(c1)C=CCO2 Amb23441455 [2,0,0,0,0,0|1,0,1]=4 2921 B12R2.24 Cc1ccc2c(c1)NCC=C2 Amb18062194 [2,0,0,0,0,0|1,0,1]=4 2922 B12R2.24 Cc1ccc2ccccc2c1 Amb6608830 [2,0,0,0,0,0|0,0,0]=2 2923 B12R2.24 Cc1ccc2ccccc2n1 Amb1151967 [2,0,0,0,0,0|1,0,0]=3 2924 B12R2.24 Cc1ccc2ccccc2n1 Amb33249592 [2,0,0,0,0,0|1,0,0]=3 2925 B12R2.24 Cc1ccc2cccnc2c1 Amb8397711 [2,0,0,0,0,0|1,0,0]=3 2926 B12R2.24 Cc1ccc2cccnc2n1 Amb2793429 [2,0,0,0,0,0|2,0,0]=4 2927 B12R2.24 Cc1ccc2ccncc2c1 Amb33544176 [2,0,0,0,0,0|1,0,0]=3 2928 B12R2.24 Cc1ccc2ccncc2n1 Amb25305156 [2,0,0,0,0,0|2,0,0]=4 2929 B12R2.24 Cc1ccc2cnccc2c1 Amb10071945 [2,0,0,0,0,0|1,0,0]=3 2930 B12R2.24 Cc1ccc2cnccc2n1 Amb23441223 [2,0,0,0,0,0|2,0,0]=4 2931 B12R2.24 Cc1ccc2ncccc2c1 Amb22235973 [2,0,0,0,0,0|1,0,0]=3 2932 B12R2.24 Cc1ccc2ncccc2c1 Amb6892169 [2,0,0,0,0,0|1,0,0]=3 2933 B12R2.24 Cc1ccc2ncccc2n1 Amb15692772 [2,0,0,0,0,0|2,0,0]=4 2934 B12R2.24 Cc1ccc2nccnc2c1 Amb2689687 [2,0,0,0,0,0|2,0,0]=4 2935 B12R2.24 Cc1cnc2ccccc2c1 Amb2447051 [2,0,0,0,0,0|1,0,0]=3 2936 B12R2.24 Cc1cnc2ccccc2n1 Amb4026338 [2,0,0,0,0,0|2,0,0]=4 2937 B12R2.24 Cc1cnc2cccnc2c1 Amb26979817 [2,0,0,0,0,0|2,0,0]=4 2938 B12R2.24 Cc1cnc2ncccc2c1 Amb26074359 [2,0,0,0,0,0|2,0,0]=4 2939 B12R2.24 Clc1cc2ccccc2cn1 Amb10071462 [2,0,0,0,0,0|2,0,0]=4 2940 B12R2.24 Clc1ccc2ccccc2c1 Amb6365655 [2,0,0,0,0,0|1,0,0]=3 2941 B12R2.24 Clc1ccc2ccccc2n1 Amb2611299 [2,0,0,0,0,0|2,0,0]=4 2942 B12R2.24 Clc1ccc2cccnc2c1 Amb10069239 [2,0,0,0,0,0|2,0,0]=4 2943 B12R2.24 Clc1ccc2ccncc2c1 Amb32663641 [2,0,0,0,0,0|2,0,0]=4 2944 B12R2.24 Clc1ccc2ccncc2c1 Amb4007488 [2,0,0,0,0,0|2,0,0]=4 2945 B12R2.24 Clc1ccc2cnccc2c1 Amb10603859 [2,0,0,0,0,0|2,0,0]=4 2946 B12R2.24 Clc1ccc2ncccc2c1 Amb749944 [2,0,0,0,0,0|2,0,0]=4 2947 B12R2.24 Clc1cnc2ccccc2c1 Amb19515997 [2,0,0,0,0,0|2,0,0]=4 2948 B12R2.24 Fc1ccc2ccccc2c1 Amb5544291 [2,0,0,0,0,0|1,0,0]=3 2949 B12R2.24 Fc1ccc2ccccc2n1 Amb20171185 [2,0,0,0,0,0|2,0,0]=4 2950 B12R2.24 Fc1ccc2cccnc2c1 Amb2622129 [2,0,0,0,0,0|2,0,0]=4 2951 B12R2.24 Fc1ccc2ccncc2c1 Amb19100617 [2,0,0,0,0,0|2,0,0]=4 2952 B12R2.24 Fc1ccc2cnccc2c1 Amb19958275 [2,0,0,0,0,0|2,0,0]=4 2953 B12R2.24 Fc1ccc2ncccc2c1 Amb22831215 [2,0,0,0,0,0|2,0,0]=4 2954 B12R2.24 Fc1ccc2ncccc2c1 Amb6892892 [2,0,0,0,0,0|2,0,0]=4 2955 B12R2.24 Fc1cnc2ccccc2c1 Amb22234447 [2,0,0,0,0,0|2,0,0]=4 2956 B12R2.24 Ic1cc2ccccc2cn1 Amb22170100 [2,0,0,0,0,0|2,0,0]=4 2957 B12R2.24 Ic1ccc2ccccc2c1 Amb4013025 [2,0,0,0,0,0|1,0,0]=3 2958 B12R2.24 Ic1ccc2ccccc2n1 Amb10604284 [2,0,0,0,0,0|2,0,0]=4 2959 B12R2.24 Ic1ccc2cccnc2c1 Amb21858708 [2,0,0,0,0,0|2,0,0]=4 2960 B12R2.24 Ic1ccc2ccncc2c1 Amb22170101 [2,0,0,0,0,0|2,0,0]=4 2961 B12R2.24 Ic1ccc2cnccc2c1 Amb10070847 [2,0,0,0,0,0|2,0,0]=4 2962 B12R2.24 Ic1ccc2ncccc2c1 Amb10066910 [2,0,0,0,0,0|2,0,0]=4 2963 B12R2.24 Ic1cnc2ccccc2c1 Amb19373724 [2,0,0,0,0,0|2,0,0]=4 2964 B12R2.24 Nc1cc2ccccc2cn1 Amb2722858 [2,0,0,0,0,0|2,0,0]=4 2965 B12R2.24 Nc1ccc2ccccc2c1 Amb22057457 [2,0,0,0,0,0|1,0,0]=3 2966 B12R2.24 Nc1ccc2ccccc2c1 Amb3940108 [2,0,0,0,0,0|1,0,0]=3 2967 B12R2.24 Nc1ccc2ccccc2n1 Amb1152993 [2,0,0,0,0,0|2,0,0]=4 2968 B12R2.24 Nc1ccc2cccnc2c1 Amb24183307 [2,0,0,0,0,0|2,0,0]=4 2969 B12R2.24 Nc1ccc2cccnc2c1 Amb31217512 [2,0,0,0,0,0|2,0,0]=4 2970 B12R2.24 Nc1ccc2cccnc2c1 Amb5717605 [2,0,0,0,0,0|2,0,0]=4 2971 B12R2.24 Nc1ccc2ccncc2c1 Amb33456346 [2,0,0,0,0,0|2,0,0]=4 2972 B12R2.24 Nc1ccc2ccncc2c1 Amb8011457 [2,0,0,0,0,0|2,0,0]=4 2973 B12R2.24 Nc1ccc2cnccc2c1 Amb33527576 [2,0,0,0,0,0|2,0,0]=4 2974 B12R2.24 Nc1ccc2cnccc2c1 Amb8010910 [2,0,0,0,0,0|2,0,0]=4 2975 B12R2.24 Nc1ccc2ncccc2c1 Amb2721017 [2,0,0,0,0,0|2,0,0]=4 2976 B12R2.24 Nc1ccc2ncccc2c1 Amb33536629 [2,0,0,0,0,0|2,0,0]=4 2977 B12R2.24 Nc1cnc2ccccc2c1 Amb534917 [2,0,0,0,0,0|2,0,0]=4 2978 B12R2.24 O=C1C=C2C=CC=CC2=CN1 Amb19958596 [2,0,0,0,0,0|1,0,0]=3 2979 B12R2.24 O=C1C=C2C=CC=CC2=NN1 Amb21864850 [2,0,0,0,0,0|2,0,0]=4 2980 B12R2.24 O=C1C=C2C=CC=NC2=CN1 Amb27239109 [2,0,0,0,0,0|2,0,0]=4 2981 B12R2.24 O=C1C=C2N=CC=CC2=CN1 Amb27642614 [2,0,0,0,0,0|2,0,0]=4 2982 B12R2.24 O=C1C=Cc2ccccc2N1 Amb18546039 [2,0,0,0,0,0|1,0,0]=3 2983 B12R2.24 O=C1C=Cc2ccccc2O1 Amb18511466 [2,0,0,0,0,0|1,0,0]=3 2984 B12R2.24 O=C1C=Cc2ccccc2[N-]1 Amb21940629 [2,0,0,0,0,0|1,0,0]=3 2985 B12R2.24 O=C1C=Cc2ccccc2[N-]1 Amb28991227 [2,0,0,0,0,0|1,0,0]=3 2986 B12R2.24 O=C1C=Cc2cccnc2N1 Amb22001403 [2,0,0,0,0,0|2,0,0]=4 2987 B12R2.24 O=C1C=Cc2ccncc2N1 Amb22493786 [2,0,0,0,0,0|2,0,0]=4 2988 B12R2.24 O=C1C=Cc2ccncc2O1 Amb24395883 [2,0,0,0,0,0|2,0,0]=4 2989 B12R2.24 O=C1C=Cc2cnccc2N1 Amb21618693 [2,0,0,0,0,0|2,0,0]=4 2990 B12R2.24 O=C1C=Cc2ncccc2N1 Amb21856966 [2,0,0,0,0,0|2,0,0]=4 2991 B12R2.24 O=C1C=Nc2ccccc2N1 Amb18372452 [2,0,0,0,0,0|2,0,0]=4 2992 B12R2.24 O=C1N=Cc2ccccc2N1 Amb20653982 [2,0,0,0,0,0|2,0,0]=4 2993 B12R2.24 O=C1N=Cc2ccccc2O1 Amb22054765 [2,0,0,0,0,0|2,0,0]=4 2994 B12R2.24 O=c1ccn2ccccc2c1 Amb2609671 [2,0,0,0,0,0|1,0,0]=3 2995 B12R2.24 O=n1ccc2ccccc2c1 Amb20247039 [2,0,0,0,0,0|1,0,0]=3 2996 B12R2.24 Oc1cc2ccccc2cn1 Amb10068513 [2,0,0,0,0,0|1,0,1]=4 2997 B12R2.24 Oc1cc[n+]2ccccc2c1 Amb24309279 [2,0,0,0,0,0|1,0,1]=4 2998 B12R2.24 Oc1ccc2ccccc2c1 Amb2609036 [2,0,0,0,0,0|0,0,1]=3 2999 B12R2.24 Oc1ccc2cccnc2c1 Amb33204453 [2,0,0,0,0,0|1,0,1]=4 3000 B12R2.24 Oc1ccc2cccnc2c1 Amb535010 [2,0,0,0,0,0|1,0,1]=4 3001 B12R2.24 Oc1ccc2ccncc2c1 Amb1152014 [2,0,0,0,0,0|1,0,1]=4 3002 B12R2.24 Oc1ccc2ccncc2c1 Amb19373209 [2,0,0,0,0,0|1,0,1]=4 3003 B12R2.24 Oc1ccc2cnccc2c1 Amb10067627 [2,0,0,0,0,0|1,0,1]=4 3004 B12R2.24 Oc1ccc2cnccc2c1 Amb30325887 [2,0,0,0,0,0|1,0,1]=4 3005 B12R2.24 Oc1ccc2ncccc2c1 Amb2609971 [2,0,0,0,0,0|1,0,1]=4 3006 B12R2.24 Oc1cnc2ccccc2c1 Amb2610757 [2,0,0,0,0,0|1,0,1]=4 3007 B12R2.24 S=C1C=Cc2ccccc2N1 Amb18526983 [2,0,0,0,0,0|1,1,0]=4 3008 B12R2.24 Sc1ccc2ccccc2c1 Amb1152959 [2,0,0,0,0,0|0,1,0]=3 3009 B12R2.24 Sc1ccc2ccccc2n1 Amb1151737 [2,0,0,0,0,0|1,1,0]=4 3010 B12R2.24 Sc1ccc2cccnc2c1 Amb25885524 [2,0,0,0,0,0|1,1,0]=4 3011 B12R2.24 Sc1ccc2ncccc2c1 Amb25076144 [2,0,0,0,0,0|1,1,0]=4 3012 B12R2.24 Sc1cnc2ccccc2c1 Amb23440777 [2,0,0,0,0,0|1,1,0]=4 3013 B12R2.24 [Mg+]c1ccc2ccccc2c1 Amb22044011 [2,0,0,0,0,0|1,0,0]=3 3014 B12R2.24 [O-][n+]1ccc2ccccc2c1 Amb2609972 [2,0,0,0,0,0|1,0,1]=4 3015 B14R1.65 C=CCOc1ccc(C(=O)OC)cc1 Amb17784729 [0,1,1,0,0,0|1,0,1]=4 3016 B14R1.65 C=CCSc1ccc(C(=O)CC)cc1 Amb17481255 [0,1,1,0,0,0|1,0,1]=4 3017 B14R1.65 COC(=O)c1ccc(\C=C\C#N)cc1 Amb33538884 [0,1,1,0,0,0|1,0,1]=4 3018 B14R1.65 COC(=O)c1ccc(\C=C\C=O)cc1 Amb18635831 [0,1,1,0,0,0|1,0,0]=3 3019 B14R1.65 COC(=O)c1ccc(\C=C\C=O)nc1 Amb33149284 [0,1,1,0,0,0|2,0,0]=4 3020 B14R1.65 COC(=O)c1ccc(\C=C\CN)cc1 Amb33079865 [0,1,1,0,0,0|1,0,1]=4 3021 B14R1.65 COC(=O)c1ccc(\C=C\CO)cc1 Amb33359166 [0,1,1,0,0,0|1,0,1]=4 3022 B14R1.66 CS(=O)(=O)c1ccc(\C=C\C=O)cc1 Amb33055239 [0,1,1,0,0,0|2,0,0]=4 3023 B14R1.71 C=CCNc1ccc(C(C)=O)cc1F Amb18565211 [0,1,1,0,0,0|1,0,1]=4 3024 B14R1.71 C=CCNc1ccc(C(C)=O)cc1N Amb18863550 [0,1,1,0,0,0|1,0,1]=4 3025 B14R1.71 C=CCOc1ccc(C(C)=O)cc1C Amb17234918 [0,1,1,0,0,0|1,0,1]=4 3026 B14R1.71 C=CCOc1ccc(C(C)=O)cc1Cl Amb17240751 [0,1,1,0,0,0|1,0,1]=4 3027 B14R1.71 C=CCOc1ccc(C(C)=O)cc1N Amb17218642 [0,1,1,0,0,0|1,0,1]=4 3028 B14R1.419 C=C(C)COc1ccc(C(C)=O)cc1 Amb6260857 [0,1,1,0,0,0|1,0,1]=4 3029 B14R1.419 C=C(Cl)COc1ccc(C(C)=O)cc1 Amb6257223 [0,1,1,0,0,0|1,0,1]=4 3030 B14R1.419 CC(=O)\C=C\c1ccc(C(=O)O)cc1 Amb17477545 [0,1,1,0,0,0|1,0,1]=4 3031 B14R1.419 CC(=O)\C=C\c1ccc(C(N)=O)cc1 Amb24465615 [0,1,1,0,0,0|1,0,1]=4 3032 B14R1.419 CC(=O)c1ccc(\C=C/C(N)=O)cc1 Amb27881754 [0,1,1,0,0,0|1,0,0]=3 3033 B14R1.419 CC(=O)c1ccc(\C=C\C(=O)O)cc1 Amb9766191 [0,1,1,0,0,0|1,0,0]=3 3034 B14R1.419 NC(=O)c1ccc(\C=C\C(=O)O)cc1 Amb34914971 [0,1,1,0,0,0|2,0,0]=4 3035 B14R1.419 O=C(Cl)\C=C\c1ccc(C(=O)Cl)cc1 Amb27621816 [0,1,1,0,0,0|2,0,0]=4 3036 B14R1.419 O=C(O)\C=C\c1ccc(C(=O)O)cc1 Amb33949189 [0,1,1,0,0,0|2,0,0]=4 3037 B14R1.419 O=C([O-])\C=C\c1ccc(C(=O)[O-])cc1 Amb33513255 [0,1,1,0,0,0|2,0,0]=4 3038 B14R1.462 CC(=O)c1ccc(NC\C=C\Cl)cc1 Amb27774620 [0,1,1,0,0,0|1,0,1]=4 3039 B14R1.610 C\C=C\C(=O)c1ccc(C(=O)O)cc1 Amb35673078 [0,1,1,0,0,0|1,0,1]=4 3040 B14R1.792 C=C\C=N\c1ccc(C(=O)O)c(O)c1 Amb26479467 [0,1,1,0,0,0|2,0,0]=4 3041 B14R1.2879 C=CC(=O)Nc1ccc(C(=O)O)cc1 Amb33532684 [0,1,1,0,0,0|2,0,0]=4 3042 B14R1.2879 C=CC(=O)Nc1ccc(C(C)=O)cc1 Amb9480690 [0,1,1,0,0,0|1,0,0]=3 3043 B14R1.2879 CC(=O)c1ccc(\C=C(\C)CO)cc1 Amb27594754 [0,1,1,0,0,0|1,0,1]=4 3044 B14R1.118 COc1c(Br)cccc1\C=C\C(C)=O Amb33007458 [0,1,1,0,0,0|1,0,1]=4 3045 B14R1.118 COc1c(C)cccc1\C=C\C(C)=O Amb33322822 [0,1,1,0,0,0|1,0,1]=4 3046 B14R1.118 COc1c(Cl)cccc1\C=C\C(C)=O Amb33262173 [0,1,1,0,0,0|1,0,1]=4 3047 B14R1.118 COc1c(F)cccc1\C=C\C(C)=O Amb33376010 [0,1,1,0,0,0|1,0,1]=4 3048 B14R1.482 CCOc1ccccc1\C=C\C(C)=O Amb33172570 [0,1,1,0,0,0|0,0,2]=4 3049 B14R1.840 COc1ccccc1\C(C)=C\C(C)=O Amb28460818 [0,1,1,0,0,0|1,0,1]=4 3050 B14R1.863 C#Cc1ccccc1\C=C\C(=O)OC Amb28436256 [0,1,1,0,0,0|0,0,2]=4 3051 B14R1.863 CCc1ccccc1\C=C\C(=O)OC Amb33358061 [0,1,1,0,0,0|0,0,2]=4 3052 B14R1.863 COC(=O)\C=C\c1ccccc1C#N Amb18649516 [0,1,1,0,0,0|1,0,1]=4 3053 B14R1.863 COC(=O)\C=C\c1ccccc1CBr Amb24120383 [0,1,1,0,0,0|1,0,1]=4 3054 B14R1.863 COC(=O)\C=C\c1ccccc1OC Amb34005315 [0,1,1,0,0,0|1,0,1]=4 3055 B14R1.1600 COc1cc(Br)ccc1\C=C\C(C)=O Amb33477401 [0,1,1,0,0,0|1,0,1]=4 3056 B14R1.1600 COc1cc(C)ccc1\C=C\C(C)=O Amb33142266 [0,1,1,0,0,0|1,0,1]=4 3057 B14R1.1600 COc1cc(Cl)ccc1\C=C\C(C)=O Amb33052283 [0,1,1,0,0,0|1,0,1]=4 3058 B14R1.1600 COc1cc(F)ccc1\C=C\C(C)=O Amb33310688 [0,1,1,0,0,0|1,0,1]=4 3059 B14R1.1600 COc1cc(N)ccc1\C=C\C(C)=O Amb28281749 [0,1,1,0,0,0|1,0,1]=4 3060 B14R1.1600 COc1cc(O)ccc1\C=C\C(C)=O Amb25179496 [0,1,1,0,0,0|1,0,1]=4 3061 B14R1.1865 CC(=O)\C=C\c1cc(C)ccc1C=O Amb26599159 [0,1,1,0,0,0|1,0,0]=3 3062 B14R1.1865 COc1ccc(Br)cc1\C=C\C(C)=O Amb33240390 [0,1,1,0,0,0|1,0,1]=4 3063 B14R1.1865 COc1ccc(C)cc1\C=C\C(C)=O Amb33197089 [0,1,1,0,0,0|1,0,1]=4 3064 B14R1.1865 COc1ccc(Cl)cc1\C=C\C(C)=O Amb33413877 [0,1,1,0,0,0|1,0,1]=4 3065 B14R1.1865 COc1ccc(F)cc1\C=C\C(C)=O Amb33362429 [0,1,1,0,0,0|1,0,1]=4 3066 B14R1.1865 COc1ccc(N)cc1\C=C\C(C)=O Amb24396286 [0,1,1,0,0,0|1,0,1]=4 3067 B14R1.2172 CC(=O)\C=C\c1c(C)cccc1C=O Amb24690687 [0,1,1,0,0,0|1,0,0]=3 3068 B14R1.2172 COc1cccc(Br)c1\C=C\C(C)=O Amb33451992 [0,1,1,0,0,0|1,0,1]=4 3069 B14R1.2172 COc1cccc(C)c1\C=C\C(C)=O Amb33446694 [0,1,1,0,0,0|1,0,1]=4 3070 B14R1.2172 COc1cccc(Cl)c1\C=C\C(C)=O Amb33261764 [0,1,1,0,0,0|1,0,1]=4 3071 B14R1.2172 COc1cccc(F)c1\C=C\C(C)=O Amb33201300 [0,1,1,0,0,0|1,0,1]=4 3072 B14R1.3135 CC(=O)\C(C)=C\c1ccccc1C#N Amb28349398 [0,1,1,0,0,0|1,0,1]=4 3073 B14R1.4522 CC(=O)\C=C\c1ccccc1C(=O)O Amb17477544 [0,1,1,0,0,0|1,0,0]=3 3074 B14R1.4522 CC(=O)\C=C\c1ccccc1C(C)C Amb33143124 [0,1,1,0,0,0|0,0,2]=4 3075 B14R1.4522 CC(=O)\C=C\c1ccccc1N(C)C Amb32879289 [0,1,1,0,0,0|1,0,1]=4 3076 B14R1.4522 CC(=O)\C=C\c1ccccc1[N+](=O)[O-] Amb18564808 [0,1,1,0,0,0|2,0,0]=4 3077 B14R1.4522 CC(=O)c1ccccc1\C=C\C(N)=O Amb25753580 [0,1,1,0,0,0|1,0,1]=4 3078 B14R1.4522 NC(=O)\C=C/c1ccccc1C(=O)O Amb27191691 [0,1,1,0,0,0|2,0,0]=4 3079 B14R1.4522 NC(=O)\C=C\c1ccccc1C(=O)O Amb27492894 [0,1,1,0,0,0|2,0,0]=4 3080 B14R1.4522 NC(=O)\C=C\c1ccccc1C(N)=O Amb27637743 [0,1,1,0,0,0|2,0,0]=4 3081 B14R1.4522 O=C(O)\C=C\c1ccccc1C(=O)O Amb533192 [0,1,1,0,0,0|2,0,0]=4 3082 B14R1.124 C=C(C)Cc1ccc(C(C)=O)cc1O Amb28409109 [0,1,1,0,0,0|1,0,1]=4 3083 B14R1.6720 COC(=O)c1ccc(\C=C\Br)c(F)c1 Amb33135432 [0,1,1,0,0,0|2,0,0]=4 3084 B14R1.96 CC(=O)N\C=C\c1ccccc1C#N Amb26002305 [0,1,1,0,0,0|1,0,1]=4 3085 B14R1.96 COc1ccccc1\C=C/C=C(C)C Amb22546629 [0,1,1,0,0,0|1,0,1]=4 3086 B14R1.160 CC(=O)N\C=C(\C)c1ccccc1N Amb27202530 [0,1,1,0,0,0|2,0,0]=4 3087 B14R1.160 Cc1ccccc1C(=O)\C=C/C(=O)O Amb27439384 [0,1,1,0,0,0|1,0,1]=4 3088 B14R1.160 NC(=O)\C=C\C(=O)c1ccccc1Cl Amb27799871 [0,1,1,0,0,0|2,0,0]=4 3089 B14R1.160 O=C(O)\C=C\C(=O)c1ccccc1Br Amb18137126 [0,1,1,0,0,0|2,0,0]=4 3090 B14R1.160 O=C(O)\C=C\C(=O)c1ccccc1Cl Amb25914597 [0,1,1,0,0,0|2,0,0]=4 3091 B14R1.160 O=C(O)\C=C\C(=O)c1ccccc1F Amb24639153 [0,1,1,0,0,0|2,0,0]=4 3092 B14R1.161 Cc1ccccc1\C=C\C(=O)C(=O)O Amb17470738 [0,1,1,0,0,0|1,0,1]=4 3093 B14R1.161 O=C(O)C(=O)\C=C/c1ccccc1O Amb25068429 [0,1,1,0,0,0|2,0,0]=4 3094 B14R1.161 O=C(O)C(=O)\C=C\c1ccccc1Br Amb17473510 [0,1,1,0,0,0|2,0,0]=4 3095 B14R1.161 O=C(O)C(=O)\C=C\c1ccccc1Cl Amb17471417 [0,1,1,0,0,0|2,0,0]=4 3096 B14R1.161 O=C(O)C(=O)\C=C\c1ccccc1F Amb17470866 [0,1,1,0,0,0|2,0,0]=4 3097 B14R1.337 CC(=O)N\C(C)=C\c1ccccc1C Amb27863766 [0,1,1,0,0,0|1,0,1]=4 3098 B14R1.337 CC(=O)N\C(C)=C\c1ccccc1Cl Amb27786078 [0,1,1,0,0,0|2,0,0]=4 3099 B14R1.337 CC(=O)\C=C(\C)Nc1ccccc1F Amb24680320 [0,1,1,0,0,0|2,0,0]=4 3100 B14R1.337 CC(=O)\C=C(\C)Nc1ccccc1O Amb26984824 [0,1,1,0,0,0|2,0,0]=4 3101 B14R1.837 COC(=O)N\C=C\c1ccccc1Cl Amb26078541 [0,1,1,0,0,0|2,0,0]=4 3102 B14R1.837 COC(=O)\C=C\Nc1ccccc1Cl Amb27465041 [0,1,1,0,0,0|2,0,0]=4 3103 B14R1.4464 CC(C)=C\C=C/c1ccc(Cl)cc1Cl Amb22546600 [0,1,1,0,0,0|2,0,0]=4 3104 B14R1.4464 CC(C)=C\C=C/c1ccc(F)cc1F Amb22546594 [0,1,1,0,0,0|2,0,0]=4 3105 B14R1.4920 CC(C)=C\C=C/c1c(Cl)cccc1Cl Amb22546616 [0,1,1,0,0,0|2,0,0]=4 3106 B14R1.4920 CC(C)=C\C=C/c1c(F)cccc1F Amb22546761 [0,1,1,0,0,0|2,0,0]=4 3107 B14R1.153 CC(=O)\C(C)=C\c1cccc(C)c1C Amb28191061 [0,1,1,0,0,0|0,0,2]=4 3108 B14R1.243 C=C(C(C)=O)C(O)c1ccccc1F Amb27664124 [0,1,1,0,0,0|1,0,1]=4 3109 B14R1.550 C=C\C(=C/c1ccccc1Cl)C(=O)O Amb27268418 [0,1,1,0,0,0|2,0,0]=4 3110 B14R1.550 CC\C(=C\c1ccccc1O)C(C)=O Amb27202786 [0,1,1,0,0,0|1,0,1]=4 3111 B14R1.550 C\C=C(\Oc1ccccc1O)C(C)=O Amb26920137 [0,1,1,0,0,0|2,0,0]=4 3112 B14R1.1007 COC(=O)\C(C)=C\c1ccccc1N Amb28185898 [0,1,1,0,0,0|1,0,1]=4 3113 B14R1.1007 COC(=O)\C(C)=C\c1ccccc1O Amb25347509 [0,1,1,0,0,0|1,0,1]=4 3114 B14R1.5971 CC(=O)\C(C)=C\c1c(F)cccc1Br Amb27984098 [0,1,1,0,0,0|1,0,1]=4 3115 B14R1.6049 CC(=O)\C(C)=C\c1ccc(Br)cc1C Amb27619502 [0,1,1,0,0,0|0,0,2]=4 3116 B14R1.6049 CC(=O)\C(C)=C\c1ccc(Br)cc1Cl Amb27652014 [0,1,1,0,0,0|1,0,1]=4 3117 B14R1.6049 CC(=O)\C(C)=C\c1ccc(C)cc1Br Amb27183433 [0,1,1,0,0,0|1,0,1]=4 3118 B14R1.6049 CC(=O)\C(C)=C\c1ccc(C)cc1Cl Amb30013094 [0,1,1,0,0,0|1,0,1]=4 3119 B14R1.6049 CC(=O)\C(C)=C\c1ccc(Cl)cc1Cl Amb27604377 [0,1,1,0,0,0|1,0,1]=4 3120 B14R1.6049 CC(=O)\C(C)=C\c1ccc(Cl)cc1F Amb27806938 [0,1,1,0,0,0|1,0,1]=4 3121 B14R1.6049 CC(=O)\C(C)=C\c1ccc(F)cc1Cl Amb28138980 [0,1,1,0,0,0|1,0,1]=4 3122 B14R1.6049 CC(=O)\C(C)=C\c1ccc(F)cc1F Amb27479144 [0,1,1,0,0,0|1,0,1]=4 3123 B14R1.6049 CC(=O)\C(C)=C\c1ccc(O)cc1F Amb35688606 [0,1,1,0,0,0|1,0,1]=4 3124 B14R1.415 C=C(CC(=O)c1ccccc1)C(=O)O Amb17594937 [0,1,1,0,0,0|1,0,1]=4 3125 B14R1.415 CC(=O)C(=O)CC(=O)c1ccccc1 Amb33355536 [0,1,1,0,0,0|1,0,1]=4 3126 B14R1.415 CC(=O)\C(C)=C/C(C)c1ccccc1 Amb28119661 [0,1,1,0,0,0|0,0,2]=4 3127 B14R1.425 C=C(C(=O)O)\C(C)=C\c1ccccc1 Amb33380899 [0,1,1,0,0,0|1,0,0]=3 3128 B14R1.425 C\C(=C/c1ccccc1)C(=O)C(=O)O Amb27865568 [0,1,1,0,0,0|2,0,0]=4 3129 B14R1.425 C\C(=C\c1ccccc1)C(=O)C(=O)O Amb28193728 [0,1,1,0,0,0|2,0,0]=4 3130 B14R1.679 C=C(C)C(=O)\C=C\c1ccc(N)cc1 Amb27593738 [0,1,1,0,0,0|2,0,0]=4 3131 B14R1.679 C=C(\C=C\c1ccc(F)cc1)C(=O)O Amb33202423 [0,1,1,0,0,0|1,0,0]=3 3132 B14R1.679 Cc1ccc(\C=C\C(=O)C(=O)O)cc1 Amb17470740 [0,1,1,0,0,0|2,0,0]=4 3133 B14R1.679 O=C(O)C(=O)\C=C\c1ccc(Br)cc1 Amb17473509 [0,1,1,0,0,0|2,0,0]=4 3134 B14R1.679 O=C(O)C(=O)\C=C\c1ccc(Cl)cc1 Amb2444591 [0,1,1,0,0,0|2,0,0]=4 3135 B14R1.679 O=C(O)C(=O)\C=C\c1ccc(F)cc1 Amb17470867 [0,1,1,0,0,0|2,0,0]=4 3136 B14R1.679 O=C([O-])C(=O)\C=C\c1ccc(F)cc1 Amb33473145 [0,1,1,0,0,0|2,0,0]=4 3137 B14R1.756 CNC(=O)C(O)\C=C\c1ccccc1 Amb25243537 [0,1,1,0,0,0|1,0,1]=4 3138 B14R1.756 CNC(=O)\C(C)=C\Sc1ccccc1 Amb25113975 [0,1,1,0,0,0|1,0,1]=4 3139 B14R1.756 COC(=O)C(=O)\C=C\c1ccccc1 Amb31029020 [0,1,1,0,0,0|1,0,0]=3 3140 B14R1.756 COC(=O)C(N)\C=C\c1ccccc1 Amb33081314 [0,1,1,0,0,0|1,0,1]=4 3141 B14R1.756 COC(=O)C(O)\C=C\c1ccccc1 Amb32952079 [0,1,1,0,0,0|1,0,1]=4 3142 B14R1.756 COC(=O)[C@@H](N)\C=C\c1ccccc1 Amb30647374 [0,1,1,0,0,0|1,0,1]=4 3143 B14R1.756 COC(=O)\C(N)=C\Nc1ccccc1 Amb28384498 [0,1,1,0,0,0|2,0,0]=4 3144 B14R1.4194 CC(=O)\C(C#N)=C\Nc1ccccc1 Amb27462043 [0,1,1,0,0,0|1,0,1]=4 3145 B14R1.5956 Cc1cccc(\C=C\C(=O)C(=O)O)c1 Amb17470739 [0,1,1,0,0,0|2,0,0]=4 3146 B14R1.5956 O=C(O)C(=O)\C=C\c1cccc(Br)c1 Amb17473508 [0,1,1,0,0,0|2,0,0]=4 3147 B14R1.5956 O=C(O)C(=O)\C=C\c1cccc(Cl)c1 Amb17471418 [0,1,1,0,0,0|2,0,0]=4 3148 B14R1.5956 O=C(O)C(=O)\C=C\c1cccc(F)c1 Amb17470868 [0,1,1,0,0,0|2,0,0]=4 3149 B14R1.436 C=CCc1cc(C(=O)OC)ccc1C Amb32668826 [0,1,1,0,0,0|0,0,2]=4 3150 B14R1.436 C=CCc1cc(C(=O)OC)ccc1O Amb1092123 [0,1,1,0,0,0|1,0,1]=4 3151 B14R1.436 COC(=O)c1ccc(O)c(\C=C\Br)c1 Amb33135159 [0,1,1,0,0,0|2,0,0]=4 3152 B14R1.436 C\C=C/c1cc(C(=O)OC)ccc1O Amb27486158 [0,1,1,0,0,0|1,0,1]=4 3153 B14R1.5293 C=CCc1cc(C(C)=O)cc(C)c1O Amb27212484 [0,1,1,0,0,0|1,0,1]=4 3154 B14R1.5389 C=CCc1c(Br)ccc(C(C)=O)c1O Amb28398185 [0,1,1,0,0,0|1,0,1]=4 3155 B14R1.5389 C=CCc1c(C)ccc(C(C)=O)c1O Amb22752433 [0,1,1,0,0,0|0,0,2]=4 3156 B14R1.536 CC(=O)\C(=C\c1ccc(F)cc1)CCl Amb27428003 [0,1,1,0,0,0|1,0,1]=4 3157 B14R1.542 CC(=O)\C(=C\N)Cc1cccc(Cl)c1 Amb28041366 [0,1,1,0,0,0|1,0,1]=4 3158 B14R1.980 C=CC\C(=C/c1ccccc1)C(=O)O Amb8439706 [0,1,1,0,0,0|1,0,0]=3 3159 B14R1.980 CC(=O)\C(=C\c1ccccc1)N=[N+]=[N-] Amb27849775 [0,1,1,0,0,0|2,0,0]=4 3160 B14R1.980 C\C=C\N(Cc1ccccc1)C(C)=O Amb25281287 [0,1,1,0,0,0|1,0,1]=4 3161 B14R1.1017 CC(=O)C(C=O)C(=O)c1ccccc1 Amb33291066 [0,1,1,0,0,0|1,0,1]=4 3162 B14R1.1017 CC(=O)\C(=C/N)C(=O)c1ccccc1 Amb28245238 [0,1,1,0,0,0|1,0,0]=3 3163 B14R1.1017 CC(=O)\C(=N\O)C(=O)c1ccccc1 Amb9830396 [0,1,1,0,0,0|2,0,0]=4 3164 B14R1.1017 CC(=O)\C(C#N)=C(/N)c1ccccc1 Amb27858858 [0,1,1,0,0,0|1,0,1]=4 3165 B14R1.1017 C\C=C(/C(=O)c1ccccc1)S(C)=O Amb17595587 [0,1,1,0,0,0|1,0,1]=4 3166 B14R1.1017 C\C=C(\C(=O)c1ccccc1)S(C)=O Amb25858764 [0,1,1,0,0,0|1,0,1]=4 3167 B14R1.1031 CNC(=O)\C(C#N)=C\c1ccccc1 Amb18649320 [0,1,1,0,0,0|1,0,1]=4 3168 B14R1.1031 COC(=O)\C(=C\c1ccccc1)CN Amb18650860 [0,1,1,0,0,0|1,0,1]=4 3169 B14R1.1031 COC(=O)\C(=C\c1ccccc1)CN Amb32413923 [0,1,1,0,0,0|1,0,1]=4 3170 B14R1.1031 COC(=O)\C(C#N)=C/c1ccccc1 Amb2701553 [0,1,1,0,0,0|1,0,1]=4 3171 B14R1.1031 COC(=O)\C(C#N)=C\c1ccccc1 Amb10844663 [0,1,1,0,0,0|1,0,1]=4 3172 B14R1.4513 C=C(C)\C(=C/c1ccccc1)C(=O)O Amb28137962 [0,1,1,0,0,0|1,0,0]=3 3173 B14R1.4513 CC(=O)C(=Nc1ccccc1)C(C)=O Amb22232232 [0,1,1,0,0,0|1,0,1]=4 3174 B14R1.4513 CC(=O)\C(Cc1ccccc1)=C(\C)N Amb28381438 [0,1,1,0,0,0|0,0,2]=4 3175 B14R1.4513 CS(=O)\C(=C/c1ccccc1)C(=O)O Amb28133371 [0,1,1,0,0,0|2,0,0]=4 3176 B14R1.4513 NC(=O)C(=Cc1ccccc1)C(N)=O Amb9813206 [0,1,1,0,0,0|2,0,0]=4 3177 B14R1.4513 O=C(O)C(=Cc1ccccc1)C(=O)O Amb17595021 [0,1,1,0,0,0|2,0,0]=4 3178 B14R1.617 C\C=C\C(=O)c1cccc(C(=O)O)c1 Amb35732741 [0,1,1,0,0,0|1,0,1]=4 3179 B14R1.780 C=CCOc1cccc(C(=O)OC)c1 Amb20527820 [0,1,1,0,0,0|1,0,1]=4 3180 B14R1.780 COC(=O)c1cccc(\C=C\C#N)c1 Amb27642884 [0,1,1,0,0,0|1,0,1]=4 3181 B14R1.780 COC(=O)c1cccc(\C=C\C=O)c1 Amb33172473 [0,1,1,0,0,0|1,0,0]=3 3182 B14R1.780 COC(=O)c1cccc(\C=C\CN)c1 Amb32873993 [0,1,1,0,0,0|1,0,1]=4 3183 B14R1.780 COC(=O)c1cccc(\C=C\CO)c1 Amb33172575 [0,1,1,0,0,0|1,0,1]=4 3184 B14R1.781 CS(=O)(=O)c1cccc(\C=C\C=O)c1 Amb33480380 [0,1,1,0,0,0|2,0,0]=4 3185 B14R1.3301 C=CC(=O)Nc1cccc(C(=O)O)c1 Amb33532627 [0,1,1,0,0,0|2,0,0]=4 3186 B14R1.6355 C=C(C)CNc1cccc(C(C)=O)c1 Amb17306692 [0,1,1,0,0,0|1,0,1]=4 3187 B14R1.6355 C=C(C)COc1cccc(C(C)=O)c1 Amb6267060 [0,1,1,0,0,0|1,0,1]=4 3188 B14R1.6355 CC(=O)\C=C\c1cccc(C(=O)O)c1 Amb27477910 [0,1,1,0,0,0|1,0,1]=4 3189 B14R1.6355 CC(=O)c1cccc(\C=C\C(=O)O)c1 Amb9780321 [0,1,1,0,0,0|1,0,0]=3 3190 B14R1.6355 CC(=O)c1cccc(\C=C\C(N)=O)c1 Amb27848182 [0,1,1,0,0,0|1,0,0]=3 3191 B14R1.6355 NC(=O)\C=C\c1cccc(C(=O)O)c1 Amb27258159 [0,1,1,0,0,0|2,0,0]=4 3192 B14R1.6355 O=C(O)\C=C\c1cccc(C(=O)O)c1 Amb8506992 [0,1,1,0,0,0|2,0,0]=4 3193 B14R1.31 CC(=O)c1ccc(C=O)c(C(=O)O)c1 Amb27773979 [0,1,1,0,0,0|2,0,0]=4 3194 B14R1.43 C=Cc1cc(C(=O)O)ccc1C(=O)O Amb24711269 [0,1,1,0,0,0|2,0,0]=4 3195 B14R1.1864 C=Cc1cc(C(=O)OC)ccc1OC Amb33267771 [0,1,1,0,0,0|1,0,1]=4 3196 B14R1.1864 COC(=O)c1ccc(C=O)c(C=O)c1 Amb33329407 [0,1,1,0,0,0|2,0,0]=4 3197 B14R2.92 BrCc1ccc2ccccc2c1Br Amb3862741 [1,1,0,0,0,0|1,0,1]=4 3198 B14R2.92 BrCc1ccc2ccccc2c1I Amb28312898 [1,1,0,0,0,0|1,0,1]=4 3199 B14R2.92 C#Cc1ccc2ccccc2c1Br Amb27641232 [1,1,0,0,0,0|0,0,2]=4 3200 B14R2.92 C=Cc1ccc2ccccc2c1Br Amb27400948 [1,1,0,0,0,0|0,0,1]=3 3201 B14R2.92 C=Cc1ccc2ccccc2c1N Amb27796207 [1,1,0,0,0,0|0,0,1]=3 3202 B14R2.92 C=Cc1ccc2cccnc2c1O Amb28436506 [1,1,0,0,0,0|1,0,1]=4 3203 B14R2.92 CCC1=CNc2ccccc2C1=O Amb27180179 [1,1,0,0,0,0|1,0,1]=4 3204 B14R2.92 CCN1C=Cc2ccccc2C1=S Amb19770045 [1,1,0,0,0,0|1,0,1]=4 3205 B14R2.92 CCc1ccc2cccnc2c1N Amb22899681 [1,1,0,0,0,0|1,0,1]=4 3206 B14R2.92 CCc1ccc2cccnc2c1O Amb27227018 [1,1,0,0,0,0|1,0,1]=4 3207 B14R2.92 CCc1ccc2cnccc2c1N Amb25828778 [1,1,0,0,0,0|1,0,1]=4 3208 B14R2.92 CCc1ccc2ncccc2c1N Amb24739731 [1,1,0,0,0,0|1,0,1]=4 3209 B14R2.92 CCc1cnc2ccccc2c1Cl Amb27623726 [1,1,0,0,0,0|1,0,1]=4 3210 B14R2.92 CCc1cnc2ccccc2c1N Amb27803824 [1,1,0,0,0,0|1,0,1]=4 3211 B14R2.92 CCc1ncc2ccccc2c1C Amb27959209 [1,1,0,0,0,0|1,0,1]=4 3212 B14R2.92 CNc1ccc2ccccc2c1N Amb17594325 [1,1,0,0,0,0|1,0,0]=3 3213 B14R2.92 CNc1ccc2cccnc2c1N Amb17608146 [1,1,0,0,0,0|2,0,0]=4 3214 B14R2.92 CNc1ccc2ccncc2c1N Amb27618235 [1,1,0,0,0,0|2,0,0]=4 3215 B14R2.92 CNc1ccc2ncccc2c1N Amb31156388 [1,1,0,0,0,0|2,0,0]=4 3216 B14R2.92 CNc1ccc2ncccc2c1N Amb9676267 [1,1,0,0,0,0|2,0,0]=4 3217 B14R2.92 COC1=CNc2ccccc2C1=O Amb25679917 [1,1,0,0,0,0|2,0,0]=4 3218 B14R2.92 COc1ccc2ccccc2c1Br Amb2618563 [1,1,0,0,0,0|1,0,0]=3 3219 B14R2.92 COc1ccc2ccccc2c1C Amb17743960 [1,1,0,0,0,0|1,0,0]=3 3220 B14R2.92 COc1ccc2ccccc2c1F Amb28185351 [1,1,0,0,0,0|1,0,0]=3 3221 B14R2.92 COc1ccc2ccccc2c1I Amb2477152 [1,1,0,0,0,0|1,0,0]=3 3222 B14R2.92 COc1ccc2ccccc2c1N Amb17200200 [1,1,0,0,0,0|1,0,0]=3 3223 B14R2.92 COc1ccc2ccccc2c1S Amb32732685 [1,1,0,0,0,0|1,0,0]=3 3224 B14R2.92 COc1ccc2cccnc2c1Br Amb16226757 [1,1,0,0,0,0|2,0,0]=4 3225 B14R2.92 COc1ccc2cccnc2c1C Amb32651814 [1,1,0,0,0,0|2,0,0]=4 3226 B14R2.92 COc1ccc2cccnc2c1Cl Amb23437321 [1,1,0,0,0,0|2,0,0]=4 3227 B14R2.92 COc1ccc2cccnc2c1F Amb23403105 [1,1,0,0,0,0|2,0,0]=4 3228 B14R2.92 COc1ccc2cccnc2c1I Amb23400932 [1,1,0,0,0,0|2,0,0]=4 3229 B14R2.92 COc1ccc2cccnc2c1N Amb20621536 [1,1,0,0,0,0|2,0,0]=4 3230 B14R2.92 COc1ccc2cccnc2c1O Amb26880905 [1,1,0,0,0,0|2,0,0]=4 3231 B14R2.92 COc1ccc2ccncc2c1Br Amb19100699 [1,1,0,0,0,0|2,0,0]=4 3232 B14R2.92 COc1ccc2ccncc2c1I Amb2613187 [1,1,0,0,0,0|2,0,0]=4 3233 B14R2.92 COc1ccc2ccncc2c1N Amb8010681 [1,1,0,0,0,0|2,0,0]=4 3234 B14R2.92 COc1ccc2cnccc2c1Br Amb19100700 [1,1,0,0,0,0|2,0,0]=4 3235 B14R2.92 COc1ccc2cnccc2c1N Amb24062940 [1,1,0,0,0,0|2,0,0]=4 3236 B14R2.92 COc1ccc2cnccc2c1O Amb27954682 [1,1,0,0,0,0|2,0,0]=4 3237 B14R2.92 COc1ccc2ncccc2c1Br Amb18354242 [1,1,0,0,0,0|2,0,0]=4 3238 B14R2.92 COc1ccc2ncccc2c1C Amb35789585 [1,1,0,0,0,0|2,0,0]=4 3239 B14R2.92 COc1ccc2ncccc2c1Cl Amb23437324 [1,1,0,0,0,0|2,0,0]=4 3240 B14R2.92 COc1ccc2ncccc2c1I Amb23403115 [1,1,0,0,0,0|2,0,0]=4 3241 B14R2.92 COc1ccc2ncccc2c1N Amb9676517 [1,1,0,0,0,0|2,0,0]=4 3242 B14R2.92 COc1ccc2ncccc2c1O Amb18127369 [1,1,0,0,0,0|2,0,0]=4 3243 B14R2.92 COc1cnc2ccccc2c1Br Amb27405335 [1,1,0,0,0,0|2,0,0]=4 3244 B14R2.92 COc1cnc2ccccc2c1N Amb18127237 [1,1,0,0,0,0|2,0,0]=4 3245 B14R2.92 CSC1=COc2ccccc2C1=O Amb28242942 [1,1,0,0,0,0|2,0,0]=4 3246 B14R2.92 CSc1ccc2ccccc2c1N Amb27407738 [1,1,0,0,0,0|1,0,0]=3 3247 B14R2.92 CSc1ccc2cccnc2c1N Amb18129874 [1,1,0,0,0,0|2,0,0]=4 3248 B14R2.92 CSc1cnc2ccccc2c1Br Amb28455428 [1,1,0,0,0,0|2,0,0]=4 3249 B14R2.92 CSc1cnc2ccccc2c1Cl Amb24271296 [1,1,0,0,0,0|2,0,0]=4 3250 B14R2.92 C\C=C1\CCc2ccccc2C1=O Amb25964781 [1,1,0,0,0,0|0,0,2]=4 3251 B14R2.92 C\C=C1\COc2ccccc2C1=O Amb27626839 [1,1,0,0,0,0|1,0,1]=4 3252 B14R2.92 Cc1c(C#N)ccc2ccccc12 Amb17594178 [1,1,0,0,0,0|1,0,1]=4 3253 B14R2.92 Cc1c(C=O)ccc2ccccc12 Amb17594259 [1,1,0,0,0,0|0,0,0]=2 3254 B14R2.92 Cc1c(CBr)ccc2ccccc12 Amb27180973 [1,1,0,0,0,0|1,0,1]=4 3255 B14R2.92 Cc1c(CCl)ccc2ccccc12 Amb25927087 [1,1,0,0,0,0|1,0,1]=4 3256 B14R2.92 Cc1c(CN)ccc2ccccc12 Amb25815347 [1,1,0,0,0,0|1,0,1]=4 3257 B14R2.92 ClCc1ccc2ccccc2c1Br Amb26637972 [1,1,0,0,0,0|1,0,1]=4 3258 B14R2.92 ClCc1ccc2ccccc2c1Cl Amb25696540 [1,1,0,0,0,0|1,0,1]=4 3259 B14R2.92 Clc1c(CBr)ccc2ccccc12 Amb26332055 [1,1,0,0,0,0|1,0,1]=4 3260 B14R2.92 N#Cc1ccc2ccccc2c1Br Amb25301470 [1,1,0,0,0,0|1,0,1]=4 3261 B14R2.92 N#Cc1ccc2ccccc2c1Cl Amb18649706 [1,1,0,0,0,0|1,0,1]=4 3262 B14R2.92 N#Cc1ccc2ccccc2c1F Amb27464133 [1,1,0,0,0,0|1,0,1]=4 3263 B14R2.92 N#Cc1ccc2ccccc2c1I Amb25055750 [1,1,0,0,0,0|1,0,1]=4 3264 B14R2.92 N#Cc1ccc2ccccc2c1N Amb8439142 [1,1,0,0,0,0|1,0,1]=4 3265 B14R2.92 N#Cc1ccc2ccccc2c1O Amb17594234 [1,1,0,0,0,0|1,0,1]=4 3266 B14R2.92 N#[N+]c1ccc2ccccc2c1Br Amb27228992 [1,1,0,0,0,0|2,0,0]=4 3267 B14R2.92 NCc1ccc2ccccc2c1F Amb28243524 [1,1,0,0,0,0|1,0,1]=4 3268 B14R2.92 NCc1ccc2ccccc2c1F Amb33620975 [1,1,0,0,0,0|1,0,1]=4 3269 B14R2.92 NCc1ccc2ccccc2c1I Amb25804717 [1,1,0,0,0,0|1,0,1]=4 3270 B14R2.92 NCc1ccc2ccccc2c1N Amb18252189 [1,1,0,0,0,0|1,0,1]=4 3271 B14R2.92 NCc1ccc2ccccc2c1O Amb28242155 [1,1,0,0,0,0|1,0,1]=4 3272 B14R2.92 NNc1ccc2ccccc2c1O Amb27760649 [1,1,0,0,0,0|2,0,0]=4 3273 B14R2.92 Nc1c(C=O)ccc2ccccc12 Amb27389594 [1,1,0,0,0,0|0,0,0]=2 3274 B14R2.92 Nc1c(C=O)ccc2cccnc12 Amb13883520 [1,1,0,0,0,0|1,0,0]=3 3275 B14R2.92 Nc1c(C=O)ccc2ncccc12 Amb27240181 [1,1,0,0,0,0|1,0,0]=3 3276 B14R2.92 Nc1c(CBr)ccc2ccccc12 Amb24488745 [1,1,0,0,0,0|1,0,1]=4 3277 B14R2.92 Nc1c(CO)ccc2ccccc12 Amb24649808 [1,1,0,0,0,0|0,0,2]=4 3278 B14R2.92 O=C1\C(=N\O)C=Cc2ccccc21 Amb22489656 [1,1,0,0,0,0|1,0,1]=4 3279 B14R2.92 O=CC1=C(Cl)c2ccccc2CC1 Amb3427937 [1,1,0,0,0,0|0,0,2]=4 3280 B14R2.92 O=CC1=C(Cl)c2ccccc2SC1 Amb18131220 [1,1,0,0,0,0|1,0,1]=4 3281 B14R2.92 O=CC1=CN=C2C=CC=CN2C1=O Amb28421981 [1,1,0,0,0,0|2,0,0]=4 3282 B14R2.92 O=CC1=COc2ccccc2C1=O Amb18373915 [1,1,0,0,0,0|1,0,0]=3 3283 B14R2.92 O=CC1=CSc2ccccc2C1=O Amb18129852 [1,1,0,0,0,0|1,0,0]=3 3284 B14R2.92 O=Cc1ccc2ccccc2[n+]1[O-] Amb9776106 [1,1,0,0,0,0|1,0,0]=3 3285 B14R2.92 O=Cc1ccc2ccccc2c1Br Amb3939652 [1,1,0,0,0,0|0,0,0]=2 3286 B14R2.92 O=Cc1ccc2ccccc2c1Cl Amb8388177 [1,1,0,0,0,0|0,0,0]=2 3287 B14R2.92 O=Cc1ccc2ccccc2c1F Amb8388176 [1,1,0,0,0,0|0,0,0]=2 3288 B14R2.92 O=Cc1ccc2ccccc2c1I Amb27647571 [1,1,0,0,0,0|0,0,0]=2 3289 B14R2.92 O=Cc1ccc2ccccc2c1O Amb4007826 [1,1,0,0,0,0|0,0,0]=2 3290 B14R2.92 O=Cc1ccc2cccnc2c1Br Amb23441934 [1,1,0,0,0,0|1,0,0]=3 3291 B14R2.92 O=Cc1ccc2cccnc2c1O Amb17933803 [1,1,0,0,0,0|1,0,0]=3 3292 B14R2.92 O=Cc1ccc2ccncc2c1O Amb27966677 [1,1,0,0,0,0|1,0,0]=3 3293 B14R2.92 O=Cc1ccc2ncccc2c1F Amb25695075 [1,1,0,0,0,0|1,0,0]=3 3294 B14R2.92 O=Cc1ccc2ncccc2c1O Amb26450494 [1,1,0,0,0,0|1,0,0]=3 3295 B14R2.92 O=Cc1cnc2ccccc2[n+]1[O-] Amb26598478 [1,1,0,0,0,0|2,0,0]=4 3296 B14R2.92 O=Cc1cnc2ccccc2c1Br Amb33743142 [1,1,0,0,0,0|1,0,0]=3 3297 B14R2.92 O=Cc1cnc2ccccc2c1Cl Amb2426684 [1,1,0,0,0,0|1,0,0]=3 3298 B14R2.92 O=Cc1ncc2ccccc2c1F Amb27225167 [1,1,0,0,0,0|1,0,0]=3 3299 B14R2.92 O=NC1C=Cc2ccccc2C1=O Amb23453358 [1,1,0,0,0,0|1,0,1]=4 3300 B14R2.92 O=Nc1ccc2ccccc2c1O Amb6357361 [1,1,0,0,0,0|1,0,0]=3 3301 B14R2.92 O=Nc1ncc2ccccc2c1O Amb27642693 [1,1,0,0,0,0|2,0,0]=4 3302 B14R2.92 OCc1ccc2ccccc2c1Br Amb27633219 [1,1,0,0,0,0|0,0,2]=4 3303 B14R2.92 OCc1ccc2ccccc2c1F Amb24624550 [1,1,0,0,0,0|0,0,2]=4 3304 B14R2.92 OCc1ccc2ccccc2c1I Amb27608305 [1,1,0,0,0,0|0,0,2]=4 3305 B14R2.92 OCc1ccc2ccccc2c1O Amb18127195 [1,1,0,0,0,0|0,0,2]=4 3306 B14R2.92 ONc1ccc2ccccc2c1O Amb27816554 [1,1,0,0,0,0|1,0,1]=4 3307 B14R2.92 Oc1c(CBr)ccc2ccccc12 Amb27876665 [1,1,0,0,0,0|1,0,1]=4 3308 B14R2.92 Oc1c(CCl)ccc2ccccc12 Amb25900678 [1,1,0,0,0,0|1,0,1]=4 3309 B14R2.92 [N-]=[N+]=C1C=Cc2ccccc2C1=O Amb25758125 [1,1,0,0,0,0|2,0,0]=4 3310 B14R2.112 BrCCc1ccc2ccccc2c1 Amb8439759 [1,1,0,0,0,0|0,0,1]=3 3311 B14R2.112 BrCCc1ccc2ccccc2n1 Amb25113626 [1,1,0,0,0,0|1,0,1]=4 3312 B14R2.112 BrCCc1ccc2cccnc2c1 Amb27436981 [1,1,0,0,0,0|1,0,1]=4 3313 B14R2.112 BrCCc1ccc2cnccc2c1 Amb27421235 [1,1,0,0,0,0|1,0,1]=4 3314 B14R2.112 BrCCc1ccc2ncccc2c1 Amb25056311 [1,1,0,0,0,0|1,0,1]=4 3315 B14R2.112 BrCCc1cnc2ccccc2c1 Amb25847391 [1,1,0,0,0,0|1,0,1]=4 3316 B14R2.112 Br\C=C\c1ccc2ccccc2c1 Amb8392462 [1,1,0,0,0,0|0,0,1]=3 3317 B14R2.112 Br\C=C\c1ccc2ccccc2n1 Amb27195598 [1,1,0,0,0,0|1,0,1]=4 3318 B14R2.112 Br\C=C\c1cnc2ccccc2c1 Amb27201759 [1,1,0,0,0,0|1,0,1]=4 3319 B14R2.112 C#CCc1ccc2ccccc2c1 Amb33361948 [1,1,0,0,0,0|0,0,2]=4 3320 B14R2.112 C=C=Cc1cnc2ccccc2c1 Amb28202667 [1,1,0,0,0,0|1,0,1]=4 3321 B14R2.112 C=CC[n+]1ccc2ccccc2c1 Amb2705846 [1,1,0,0,0,0|1,0,1]=4 3322 B14R2.112 C=CCc1ccc2ccccc2c1 Amb6299563 [1,1,0,0,0,0|0,0,1]=3 3323 B14R2.112 C=CCc1ccc2ccccc2n1 Amb27434466 [1,1,0,0,0,0|1,0,1]=4 3324 B14R2.112 C=CCc1ccc2cccnc2c1 Amb27765539 [1,1,0,0,0,0|1,0,1]=4 3325 B14R2.112 C=CNc1ccc2ccccc2c1 Amb27482779 [1,1,0,0,0,0|0,0,1]=3 3326 B14R2.112 C=COc1ccc2cccnc2c1 Amb27617590 [1,1,0,0,0,0|1,0,1]=4 3327 B14R2.112 CC#Cc1ccc2ccccc2n1 Amb27208301 [1,1,0,0,0,0|1,0,1]=4 3328 B14R2.112 CCC[n+]1ccc2ccccc2c1 Amb9825983 [1,1,0,0,0,0|1,0,1]=4 3329 B14R2.112 CCCc1cc2ccccc2cn1 Amb27462348 [1,1,0,0,0,0|1,0,1]=4 3330 B14R2.112 CCCc1ccc2ccccc2n1 Amb27265534 [1,1,0,0,0,0|1,0,1]=4 3331 B14R2.112 CCCc1ccc2ncccc2c1 Amb28067645 [1,1,0,0,0,0|1,0,1]=4 3332 B14R2.112 CCNc1ccc2ccccc2c1 Amb7759811 [1,1,0,0,0,0|0,0,1]=3 3333 B14R2.112 CCOc1cc2ccccc2cn1 Amb2610107 [1,1,0,0,0,0|1,0,1]=4 3334 B14R2.112 CCOc1ccc2ccccc2c1 Amb4017891 [1,1,0,0,0,0|0,0,1]=3 3335 B14R2.112 CCOc1ccc2cccnc2c1 Amb27772101 [1,1,0,0,0,0|1,0,1]=4 3336 B14R2.112 CCOc1ccc2ncccc2c1 Amb19106597 [1,1,0,0,0,0|1,0,1]=4 3337 B14R2.112 CCSc1ccc2ccccc2c1 Amb24359866 [1,1,0,0,0,0|0,0,1]=3 3338 B14R2.112 CCSc1ccc2ccccc2n1 Amb27972844 [1,1,0,0,0,0|1,0,1]=4 3339 B14R2.112 CNCc1cc2ccccc2cn1 Amb28137752 [1,1,0,0,0,0|1,0,1]=4 3340 B14R2.112 CNCc1ccc2ccccc2c1 Amb1106022 [1,1,0,0,0,0|0,0,1]=3 3341 B14R2.112 CNCc1ccc2ccccc2n1 Amb6742539 [1,1,0,0,0,0|1,0,1]=4 3342 B14R2.112 CNCc1ccc2cccnc2c1 Amb25322012 [1,1,0,0,0,0|1,0,1]=4 3343 B14R2.112 CNCc1ccc2cnccc2c1 Amb26625127 [1,1,0,0,0,0|1,0,1]=4 3344 B14R2.112 CNCc1ccc2ncccc2c1 Amb1995118 [1,1,0,0,0,0|1,0,1]=4 3345 B14R2.112 CNCc1ccc2ncccc2c1 Amb8503478 [1,1,0,0,0,0|1,0,1]=4 3346 B14R2.112 CNCc1cnc2ccccc2c1 Amb1995108 [1,1,0,0,0,0|1,0,1]=4 3347 B14R2.112 CNCc1cnc2ccccc2c1 Amb8503260 [1,1,0,0,0,0|1,0,1]=4 3348 B14R2.112 COCc1cnc2ccccc2c1 Amb28422626 [1,1,0,0,0,0|1,0,1]=4 3349 B14R2.112 CSCc1ccc2ccccc2c1 Amb4006802 [1,1,0,0,0,0|0,0,1]=3 3350 B14R2.112 CSCc1ccc2ccccc2n1 Amb27836677 [1,1,0,0,0,0|1,0,1]=4 3351 B14R2.112 CSCc1ccc2ccncc2c1 Amb27790291 [1,1,0,0,0,0|1,0,1]=4 3352 B14R2.112 C\C=C\c1cc2ccccc2cn1 Amb26928755 [1,1,0,0,0,0|1,0,0]=3 3353 B14R2.112 C\N=C\c1ccc2ccccc2n1 Amb27642803 [1,1,0,0,0,0|1,0,0]=3 3354 B14R2.112 C\N=C\c1cnc2ccccc2c1 Amb27444798 [1,1,0,0,0,0|1,0,0]=3 3355 B14R2.112 ClCCc1ccc2cnccc2c1 Amb28456211 [1,1,0,0,0,0|1,0,1]=4 3356 B14R2.112 ClCCc1cnc2ccccc2c1 Amb19073738 [1,1,0,0,0,0|1,0,1]=4 3357 B14R2.112 ClCOc1cnc2ccccc2c1 Amb28195835 [1,1,0,0,0,0|2,0,0]=4 3358 B14R2.112 Cl\C=C\c1ccc2ccccc2c1 Amb8392458 [1,1,0,0,0,0|0,0,1]=3 3359 B14R2.112 F\C=C\c1ccc2ccccc2n1 Amb26630085 [1,1,0,0,0,0|1,0,1]=4 3360 B14R2.112 IC#Cc1ccc2ccccc2c1 Amb27600905 [1,1,0,0,0,0|0,0,2]=4 3361 B14R2.112 N#CCc1ccc2ccccc2c1 Amb2609980 [1,1,0,0,0,0|0,0,2]=4 3362 B14R2.112 N#CNc1ccc2ccccc2c1 Amb18805829 [1,1,0,0,0,0|1,0,1]=4 3363 B14R2.112 N#COc1ccc2ccccc2c1 Amb27445591 [1,1,0,0,0,0|1,0,1]=4 3364 B14R2.112 NCCc1cc2ccccc2cn1 Amb23441235 [1,1,0,0,0,0|1,0,1]=4 3365 B14R2.112 NCCc1ccc2ccccc2c1 Amb6245305 [1,1,0,0,0,0|0,0,1]=3 3366 B14R2.112 NCCc1ccc2ccccc2c1 Amb7969583 [1,1,0,0,0,0|0,0,1]=3 3367 B14R2.112 NCCc1ccc2ccccc2n1 Amb6742401 [1,1,0,0,0,0|1,0,1]=4 3368 B14R2.112 NCCc1ccc2ccccc2n1 Amb9182400 [1,1,0,0,0,0|1,0,1]=4 3369 B14R2.112 NCCc1ccc2cccnc2c1 Amb18353295 [1,1,0,0,0,0|1,0,1]=4 3370 B14R2.112 NCCc1ccc2cnccc2c1 Amb18353186 [1,1,0,0,0,0|1,0,1]=4 3371 B14R2.112 NCCc1ccc2ncccc2c1 Amb32658737 [1,1,0,0,0,0|1,0,1]=4 3372 B14R2.112 NCCc1ccc2ncccc2c1 Amb33528373 [1,1,0,0,0,0|1,0,1]=4 3373 B14R2.112 NCCc1cnc2ccccc2c1 Amb18286590 [1,1,0,0,0,0|1,0,1]=4 3374 B14R2.112 NCCc1cnc2ccccc2c1 Amb32668157 [1,1,0,0,0,0|1,0,1]=4 3375 B14R2.112 NNCc1ccc2ccccc2c1 Amb21954060 [1,1,0,0,0,0|1,0,1]=4 3376 B14R2.112 NNCc1ccc2ccccc2c1 Amb6249128 [1,1,0,0,0,0|1,0,1]=4 3377 B14R2.112 NNCc1ccc2ccccc2c1 Amb8471152 [1,1,0,0,0,0|1,0,1]=4 3378 B14R2.112 NOCc1ccc2ccccc2c1 Amb33362172 [1,1,0,0,0,0|0,0,2]=4 3379 B14R2.112 N\N=C\c1ccc2ccccc2c1 Amb28182926 [1,1,0,0,0,0|1,0,0]=3 3380 B14R2.112 N\N=C\c1ccc2cnccc2c1 Amb28182928 [1,1,0,0,0,0|2,0,0]=4 3381 B14R2.112 O=C=Cc1ccc2ccccc2n1 Amb27847660 [1,1,0,0,0,0|1,0,0]=3 3382 B14R2.112 O=C=Cc1cnc2ccccc2c1 Amb27209239 [1,1,0,0,0,0|1,0,0]=3 3383 B14R2.112 O=C=Nc1ccc2ccccc2c1 Amb3939256 [1,1,0,0,0,0|0,0,1]=3 3384 B14R2.112 O=C=Nc1ccc2cccnc2c1 Amb27159783 [1,1,0,0,0,0|1,0,1]=4 3385 B14R2.112 O=C=Nc1ccc2cnccc2c1 Amb24091735 [1,1,0,0,0,0|1,0,1]=4 3386 B14R2.112 O=C=Nc1ccc2ncccc2c1 Amb2778982 [1,1,0,0,0,0|1,0,1]=4 3387 B14R2.112 O=C=Nc1cnc2ccccc2c1 Amb19148806 [1,1,0,0,0,0|1,0,1]=4 3388 B14R2.112 O=CCc1ccc2ccccc2c1 Amb18793599 [1,1,0,0,0,0|0,0,0]=2 3389 B14R2.112 O=CCc1ccc2ccccc2n1 Amb3592051 [1,1,0,0,0,0|1,0,0]=3 3390 B14R2.112 O=CCc1ccc2cccnc2c1 Amb24065247 [1,1,0,0,0,0|1,0,0]=3 3391 B14R2.112 O=CCc1ccc2ncccc2c1 Amb24065245 [1,1,0,0,0,0|1,0,0]=3 3392 B14R2.112 O=CCc1cnc2ccccc2c1 Amb18802212 [1,1,0,0,0,0|1,0,0]=3 3393 B14R2.112 O=CCc1cnc2ccccc2n1 Amb8010554 [1,1,0,0,0,0|2,0,0]=4 3394 B14R2.112 O=CNc1cc2ccccc2cn1 Amb27402635 [1,1,0,0,0,0|1,0,0]=3 3395 B14R2.112 O=CNc1ccc2ccccc2n1 Amb27975445 [1,1,0,0,0,0|1,0,0]=3 3396 B14R2.112 O=CNc1ccc2ncccc2c1 Amb27861671 [1,1,0,0,0,0|1,0,0]=3 3397 B14R2.112 O=CNc1ccc2nccnc2c1 Amb27808083 [1,1,0,0,0,0|2,0,0]=4 3398 B14R2.112 O=CNc1cnc2ccccc2c1 Amb27233111 [1,1,0,0,0,0|1,0,0]=3 3399 B14R2.112 OCC[n+]1ccc2ccccc2c1 Amb21953406 [1,1,0,0,0,0|1,0,1]=4 3400 B14R2.112 OCCc1ccc2ccccc2c1 Amb3939094 [1,1,0,0,0,0|0,0,1]=3 3401 B14R2.112 OCCc1ccc2ccccc2n1 Amb4093502 [1,1,0,0,0,0|1,0,1]=4 3402 B14R2.112 OCCc1ccc2cccnc2c1 Amb25160605 [1,1,0,0,0,0|1,0,1]=4 3403 B14R2.112 OCCc1ccc2cnccc2c1 Amb25187947 [1,1,0,0,0,0|1,0,1]=4 3404 B14R2.112 OCCc1ccc2ncccc2c1 Amb24065246 [1,1,0,0,0,0|1,0,1]=4 3405 B14R2.112 OCCc1cnc2ccccc2c1 Amb18803362 [1,1,0,0,0,0|1,0,1]=4 3406 B14R2.112 ONCc1ccc2ccccc2c1 Amb2441926 [1,1,0,0,0,0|0,0,2]=4 3407 B14R2.112 O\N=C\c1ccc2ccccc2c1 Amb6346458 [1,1,0,0,0,0|0,0,1]=3 3408 B14R2.112 O\N=C\c1ccc2ccccc2n1 Amb592735 [1,1,0,0,0,0|1,0,1]=4 3409 B14R2.112 O\N=C\c1ccc2cccnc2c1 Amb27186089 [1,1,0,0,0,0|1,0,1]=4 3410 B14R2.112 O\N=C\c1ccc2ncccc2c1 Amb27601565 [1,1,0,0,0,0|1,0,1]=4 3411 B14R2.112 O\N=C\c1cnc2ccccc2c1 Amb24385393 [1,1,0,0,0,0|1,0,1]=4 3412 B14R2.112 S=C=Nc1ccc2ccccc2c1 Amb4009135 [1,1,0,0,0,0|0,1,1]=4 3413 B14R2.112 S=CNc1ccc2ncccc2c1 Amb27638131 [1,1,0,0,0,0|1,1,0]=4 3414 B14R2.112 SCCc1ccc2ccccc2c1 Amb28346891 [1,1,0,0,0,0|0,0,1]=3 3415 B14R2.112 SCCc1ccc2ccccc2n1 Amb26552663 [1,1,0,0,0,0|1,0,1]=4 3416 B14R2.112 SCCc1ccc2cccnc2c1 Amb32878078 [1,1,0,0,0,0|1,0,1]=4 3417 B14R2.112 SCCc1ccc2ncccc2c1 Amb33148372 [1,1,0,0,0,0|1,0,1]=4 3418 B14R2.112 SCCc1cnc2ccccc2c1 Amb33320654 [1,1,0,0,0,0|1,0,1]=4 3419 B14R2.112 [C-]#[N+]Cc1ccc2ccccc2c1 Amb5351087 [1,1,0,0,0,0|0,0,2]=4 3420 B14R2.112 [N-]=[N+]=Nc1ccc2ccccc2c1 Amb8844873 [1,1,0,0,0,0|2,0,0]=4 3421 B14R2.112 [NH3+]CCN1=Cc2ccccc2C=C1 Amb32454601 [1,1,0,0,0,0|1,0,1]=4 3422 B14R2.112 [NH3+]CC[n+]1ccc2ccccc2c1 Amb24122601 [1,1,0,0,0,0|1,0,1]=4 3423 B14R2.134 BrCc1ccc2ccc(Br)cc2c1 Amb28068536 [1,1,0,0,0,0|1,0,1]=4 3424 B14R2.134 BrCc1ccc2ccc(I)cc2c1 Amb25670304 [1,1,0,0,0,0|1,0,1]=4 3425 B14R2.134 C=Cc1ccc2c(c1)OC(=O)C=C2 Amb27462421 [1,1,0,0,0,0|1,0,1]=4 3426 B14R2.134 C=Cc1ccc2ccc(Br)cc2n1 Amb27191813 [1,1,0,0,0,0|1,0,1]=4 3427 B14R2.134 C=Cc1ccc2ccc(C)nc2c1 Amb27463517 [1,1,0,0,0,0|1,0,1]=4 3428 B14R2.134 C=Cc1ccc2ccc(Cl)cc2n1 Amb20620861 [1,1,0,0,0,0|1,0,1]=4 3429 B14R2.134 CCc1cc2cc(C)ccc2cn1 Amb27847114 [1,1,0,0,0,0|1,0,1]=4 3430 B14R2.134 CCc1ccc2c(c1)OC(=O)C=C2 Amb28135747 [1,1,0,0,0,0|1,0,1]=4 3431 B14R2.134 CCc1ccc2ccc(N)nc2c1 Amb18126933 [1,1,0,0,0,0|1,0,1]=4 3432 B14R2.134 CCc1ccc2ccc(O)cc2c1 Amb26937947 [1,1,0,0,0,0|0,0,1]=3 3433 B14R2.134 CCc1ccc2ncc(C)cc2c1 Amb17334865 [1,1,0,0,0,0|1,0,1]=4 3434 B14R2.134 CCc1ccc2ncc(N)cc2c1 Amb17157132 [1,1,0,0,0,0|1,0,1]=4 3435 B14R2.134 CCc1ccc2ncc(O)cc2c1 Amb25035410 [1,1,0,0,0,0|1,0,1]=4 3436 B14R2.134 CCc1cnc2ccc(C)cc2c1 Amb17334868 [1,1,0,0,0,0|1,0,1]=4 3437 B14R2.134 CCc1cnc2ccc(O)cc2c1 Amb28243145 [1,1,0,0,0,0|1,0,1]=4 3438 B14R2.134 CNc1cc2cc(Br)ccc2cn1 Amb24665971 [1,1,0,0,0,0|2,0,0]=4 3439 B14R2.134 CNc1ccc2c(c1)NC(=O)C=C2 Amb28410493 [1,1,0,0,0,0|2,0,0]=4 3440 B14R2.134 CNc1ccc2ccc(F)cc2n1 Amb28318054 [1,1,0,0,0,0|2,0,0]=4 3441 B14R2.134 CNc1ccc2ncc(Cl)cc2c1 Amb22751174 [1,1,0,0,0,0|2,0,0]=4 3442 B14R2.134 CNc1ccc2ncc(I)cc2c1 Amb22751170 [1,1,0,0,0,0|2,0,0]=4 3443 B14R2.134 COC1=CC2=CC(=O)NC=C2C=C1 Amb21964171 [1,1,0,0,0,0|2,0,0]=4 3444 B14R2.134 COc1cc2cc(Br)ccc2cn1 Amb22498297 [1,1,0,0,0,0|2,0,0]=4 3445 B14R2.134 COc1ccc2c(c1)OC(=O)C=C2 Amb18511473 [1,1,0,0,0,0|2,0,0]=4 3446 B14R2.134 COc1ccc2c(c1)OC(=S)C=C2 Amb28385461 [1,1,0,0,0,0|2,0,0]=4 3447 B14R2.134 COc1ccc2cc[n+]([O-])cc2c1 Amb2613189 [1,1,0,0,0,0|2,0,0]=4 3448 B14R2.134 COc1ccc2ccc(Br)cc2c1 Amb27252105 [1,1,0,0,0,0|1,0,0]=3 3449 B14R2.134 COc1ccc2ccc(Br)cc2n1 Amb22234521 [1,1,0,0,0,0|2,0,0]=4 3450 B14R2.134 COc1ccc2ccc(Br)nc2c1 Amb25789005 [1,1,0,0,0,0|2,0,0]=4 3451 B14R2.134 COc1ccc2ccc(C)cc2c1 Amb25340236 [1,1,0,0,0,0|1,0,0]=3 3452 B14R2.134 COc1ccc2ccc(C)nc2c1 Amb1994820 [1,1,0,0,0,0|2,0,0]=4 3453 B14R2.134 COc1ccc2ccc(Cl)cc2c1 Amb25974096 [1,1,0,0,0,0|1,0,0]=3 3454 B14R2.134 COc1ccc2ccc(Cl)nc2c1 Amb21864672 [1,1,0,0,0,0|2,0,0]=4 3455 B14R2.134 COc1ccc2ccc(F)cc2c1 Amb24725253 [1,1,0,0,0,0|1,0,0]=3 3456 B14R2.134 COc1ccc2ccc(I)cc2c1 Amb27667893 [1,1,0,0,0,0|1,0,0]=3 3457 B14R2.134 COc1ccc2ccc(N)cc2c1 Amb25187874 [1,1,0,0,0,0|1,0,0]=3 3458 B14R2.134 COc1ccc2ccc(N)cc2n1 Amb23401128 [1,1,0,0,0,0|2,0,0]=4 3459 B14R2.134 COc1ccc2ccc(N)nc2c1 Amb18127232 [1,1,0,0,0,0|2,0,0]=4 3460 B14R2.134 COc1ccc2ccc(O)cc2c1 Amb3939561 [1,1,0,0,0,0|1,0,0]=3 3461 B14R2.134 COc1ccc2ccc(O)cc2n1 Amb26317850 [1,1,0,0,0,0|2,0,0]=4 3462 B14R2.134 COc1ccc2ccc(S)nc2c1 Amb28429749 [1,1,0,0,0,0|2,0,0]=4 3463 B14R2.134 COc1ccc2cnc(C)cc2c1 Amb17778822 [1,1,0,0,0,0|2,0,0]=4 3464 B14R2.134 COc1ccc2cnc(Cl)cc2c1 Amb22735858 [1,1,0,0,0,0|2,0,0]=4 3465 B14R2.134 COc1ccc2cnc(F)cc2c1 Amb26414113 [1,1,0,0,0,0|2,0,0]=4 3466 B14R2.134 COc1ccc2ncc(Br)cc2c1 Amb1994330 [1,1,0,0,0,0|2,0,0]=4 3467 B14R2.134 COc1ccc2ncc(F)cc2c1 Amb21926929 [1,1,0,0,0,0|2,0,0]=4 3468 B14R2.134 COc1ccc2ncc(N)cc2c1 Amb10669512 [1,1,0,0,0,0|2,0,0]=4 3469 B14R2.134 COc1ccc2ncc(N)cc2c1 Amb1994860 [1,1,0,0,0,0|2,0,0]=4 3470 B14R2.134 COc1ccc2ncc(N)cc2c1 Amb20239407 [1,1,0,0,0,0|2,0,0]=4 3471 B14R2.134 COc1ccc2ncc(O)cc2c1 Amb8506041 [1,1,0,0,0,0|2,0,0]=4 3472 B14R2.134 COc1cnc2ccc(Br)cc2c1 Amb22494759 [1,1,0,0,0,0|2,0,0]=4 3473 B14R2.134 COc1cnc2ccc(Cl)cc2c1 Amb22495280 [1,1,0,0,0,0|2,0,0]=4 3474 B14R2.134 COc1cnc2ccc(F)cc2c1 Amb22495281 [1,1,0,0,0,0|2,0,0]=4 3475 B14R2.134 COc1cnc2ccc(I)cc2c1 Amb22495279 [1,1,0,0,0,0|2,0,0]=4 3476 B14R2.134 COc1cnc2ccc(N)cc2c1 Amb26880806 [1,1,0,0,0,0|2,0,0]=4 3477 B14R2.134 COc1cnc2ccc(O)cc2c1 Amb28066536 [1,1,0,0,0,0|2,0,0]=4 3478 B14R2.134 CSc1ccc2ccc(C)cc2n1 Amb28255821 [1,1,0,0,0,0|2,0,0]=4 3479 B14R2.134 CSc1ccc2ccc(N)nc2c1 Amb18129872 [1,1,0,0,0,0|2,0,0]=4 3480 B14R2.134 Cc1ccc2ccc(C#N)cc2c1 Amb24580661 [1,1,0,0,0,0|1,0,1]=4 3481 B14R2.134 Cc1ccc2ccc(C=O)cc2c1 Amb2609106 [1,1,0,0,0,0|0,0,0]=2 3482 B14R2.134 Cc1ccc2ccc(C=O)cc2n1 Amb19103268 [1,1,0,0,0,0|1,0,0]=3 3483 B14R2.134 Cc1ccc2ccc(C=O)nc2n1 Amb32642163 [1,1,0,0,0,0|2,0,0]=4 3484 B14R2.134 Cc1ccc2ccc(CBr)cc2c1 Amb26572902 [1,1,0,0,0,0|1,0,1]=4 3485 B14R2.134 Cc1ccc2ccc(CN)cc2c1 Amb24407187 [1,1,0,0,0,0|1,0,1]=4 3486 B14R2.134 Cc1ccc2ccc(CO)cc2c1 Amb25374010 [1,1,0,0,0,0|0,0,2]=4 3487 B14R2.134 Cc1ccc2ncc(C=O)cc2c1 Amb17334841 [1,1,0,0,0,0|1,0,0]=3 3488 B14R2.134 ClCc1ccc2ccc(Br)cc2c1 Amb25856973 [1,1,0,0,0,0|1,0,1]=4 3489 B14R2.134 ClCc1ccc2ccc(Cl)cc2c1 Amb24697560 [1,1,0,0,0,0|1,0,1]=4 3490 B14R2.134 Clc1ccc2ccc(CBr)cc2c1 Amb27608386 [1,1,0,0,0,0|1,0,1]=4 3491 B14R2.134 Fc1ccc2ccc(CCl)cc2c1 Amb25188057 [1,1,0,0,0,0|1,0,1]=4 3492 B14R2.134 N#Cc1ccc2ccc(Br)cc2c1 Amb27797116 [1,1,0,0,0,0|1,0,1]=4 3493 B14R2.134 N#Cc1ccc2ccc(I)cc2c1 Amb25154970 [1,1,0,0,0,0|1,0,1]=4 3494 B14R2.134 N#Cc1ccc2ccc(N)cc2c1 Amb24463491 [1,1,0,0,0,0|1,0,1]=4 3495 B14R2.134 N#Cc1ccc2ccc(O)cc2c1 Amb8389630 [1,1,0,0,0,0|1,0,1]=4 3496 B14R2.134 NCc1ccc2ccc(Br)cc2c1 Amb26855807 [1,1,0,0,0,0|1,0,1]=4 3497 B14R2.134 NCc1ccc2ccc(Cl)cc2c1 Amb26946474 [1,1,0,0,0,0|1,0,1]=4 3498 B14R2.134 NCc1ccc2ccc(Cl)cc2c1 Amb32668466 [1,1,0,0,0,0|1,0,1]=4 3499 B14R2.134 NCc1ccc2ccc(F)cc2c1 Amb26426360 [1,1,0,0,0,0|1,0,1]=4 3500 B14R2.134 NCc1ccc2ccc(I)cc2c1 Amb27859070 [1,1,0,0,0,0|1,0,1]=4 3501 B14R2.134 NCc1ccc2ccc(N)cc2c1 Amb28239656 [1,1,0,0,0,0|1,0,1]=4 3502 B14R2.134 NNc1ccc2ccc(N)cc2c1 Amb27626017 [1,1,0,0,0,0|2,0,0]=4 3503 B14R2.134 Nc1ccc2ccc(C=O)cc2c1 Amb28243613 [1,1,0,0,0,0|0,0,0]=2 3504 B14R2.134 Nc1ccc2ccc(C=O)nc2n1 Amb27955139 [1,1,0,0,0,0|2,0,0]=4 3505 B14R2.134 Nc1ccc2ccc(CBr)cc2c1 Amb28185862 [1,1,0,0,0,0|1,0,1]=4 3506 B14R2.134 Nc1ccc2ccc(CCl)cc2c1 Amb24648773 [1,1,0,0,0,0|1,0,1]=4 3507 B14R2.134 Nc1ccc2ccc(CO)cc2c1 Amb27983571 [1,1,0,0,0,0|0,0,2]=4 3508 B14R2.134 O=CC1=COc2ccc(Cl)cc2C1 Amb26519702 [1,1,0,0,0,0|1,0,1]=4 3509 B14R2.134 O=CC1=COc2ccc(O)cc2C1 Amb22360615 [1,1,0,0,0,0|1,0,1]=4 3510 B14R2.134 O=CC1=Cc2cc(Br)ccc2OC1 Amb2372282 [1,1,0,0,0,0|1,0,1]=4 3511 B14R2.134 O=CC1=Cc2cc(Cl)ccc2OC1 Amb1158065 [1,1,0,0,0,0|1,0,1]=4 3512 B14R2.134 O=CC1=Cc2cc(O)ccc2OC1 Amb9769168 [1,1,0,0,0,0|1,0,1]=4 3513 B14R2.134 O=Cc1ccc2c(c1)OC(=O)C=C2 Amb27180468 [1,1,0,0,0,0|1,0,0]=3 3514 B14R2.134 O=Cc1ccc2ccc(Br)cc2c1 Amb8388174 [1,1,0,0,0,0|0,0,0]=2 3515 B14R2.134 O=Cc1ccc2ccc(Br)cc2n1 Amb3931399 [1,1,0,0,0,0|1,0,0]=3 3516 B14R2.134 O=Cc1ccc2ccc(Br)nc2n1 Amb24116367 [1,1,0,0,0,0|2,0,0]=4 3517 B14R2.134 O=Cc1ccc2ccc(Cl)cc2c1 Amb25359920 [1,1,0,0,0,0|0,0,0]=2 3518 B14R2.134 O=Cc1ccc2ccc(Cl)cc2n1 Amb3931398 [1,1,0,0,0,0|1,0,0]=3 3519 B14R2.134 O=Cc1ccc2ccc(Cl)nc2c1 Amb24520795 [1,1,0,0,0,0|1,0,0]=3 3520 B14R2.134 O=Cc1ccc2ccc(Cl)nc2n1 Amb24116333 [1,1,0,0,0,0|2,0,0]=4 3521 B14R2.134 O=Cc1ccc2ccc(F)cc2c1 Amb28243612 [1,1,0,0,0,0|0,0,0]=2 3522 B14R2.134 O=Cc1ccc2ccc(F)cc2n1 Amb3931404 [1,1,0,0,0,0|1,0,0]=3 3523 B14R2.134 O=Cc1ccc2ccc(I)cc2c1 Amb25877681 [1,1,0,0,0,0|0,0,0]=2 3524 B14R2.134 O=Cc1ccc2ccc(I)nc2n1 Amb24116368 [1,1,0,0,0,0|2,0,0]=4 3525 B14R2.134 O=Cc1ccc2ccc(O)cc2c1 Amb18126872 [1,1,0,0,0,0|0,0,0]=2 3526 B14R2.134 O=Cc1ccc2ccc(O)cc2n1 Amb27954641 [1,1,0,0,0,0|1,0,0]=3 3527 B14R2.134 O=Cc1ccc2ccc(O)nc2c1 Amb25335448 [1,1,0,0,0,0|1,0,0]=3 3528 B14R2.134 O=Cc1ccc2cnc(Br)nc2c1 Amb28369742 [1,1,0,0,0,0|2,0,0]=4 3529 B14R2.134 O=Cc1ccc2cnc(Cl)cc2c1 Amb22735847 [1,1,0,0,0,0|1,0,0]=3 3530 B14R2.134 O=Cc1ccc2cnc(Cl)nc2c1 Amb28292431 [1,1,0,0,0,0|2,0,0]=4 3531 B14R2.134 O=Cc1ccc2ncc(Br)cc2c1 Amb24183693 [1,1,0,0,0,0|1,0,0]=3 3532 B14R2.134 O=Cc1ccc2ncc(O)cc2c1 Amb27668829 [1,1,0,0,0,0|1,0,0]=3 3533 B14R2.134 O=Cc1cnc2ccc(Br)cc2c1 Amb18158863 [1,1,0,0,0,0|1,0,0]=3 3534 B14R2.134 O=Cc1cnc2ccc(Cl)cc2c1 Amb18190720 [1,1,0,0,0,0|1,0,0]=3 3535 B14R2.134 O=Cc1cnc2ccc(O)cc2c1 Amb25359811 [1,1,0,0,0,0|1,0,0]=3 3536 B14R2.134 O=Cc1cnc2ncc(Br)cc2c1 Amb33727997 [1,1,0,0,0,0|2,0,0]=4 3537 B14R2.134 O=Nc1ccc2c(c1)OC(=O)C=C2 Amb27642751 [1,1,0,0,0,0|2,0,0]=4 3538 B14R2.134 OCc1ccc2ccc(Br)cc2c1 Amb24427627 [1,1,0,0,0,0|0,0,2]=4 3539 B14R2.134 OCc1ccc2ccc(Cl)cc2c1 Amb27249801 [1,1,0,0,0,0|0,0,2]=4 3540 B14R2.134 OCc1ccc2ccc(F)cc2c1 Amb27985394 [1,1,0,0,0,0|0,0,2]=4 3541 B14R2.134 OCc1ccc2ccc(I)cc2c1 Amb27180842 [1,1,0,0,0,0|0,0,2]=4 3542 B14R2.134 OCc1ccc2ccc(O)cc2c1 Amb25074092 [1,1,0,0,0,0|0,0,2]=4 3543 B14R2.134 Oc1ccc2ccc(CCl)cc2c1 Amb28144546 [1,1,0,0,0,0|1,0,1]=4 3544 B14R2.142 BrCc1ccc2cccc(Br)c2c1 Amb26657015 [1,1,0,0,0,0|1,0,1]=4 3545 B14R2.142 BrCc1ccc2cccc(I)c2c1 Amb26867943 [1,1,0,0,0,0|1,0,1]=4 3546 B14R2.142 C=Cc1ccc2cccc(C)c2n1 Amb25776803 [1,1,0,0,0,0|1,0,1]=4 3547 B14R2.142 C=Cc1ccc2cccc(Cl)c2n1 Amb27590264 [1,1,0,0,0,0|1,0,1]=4 3548 B14R2.142 C=Cc1ccc2nccc(Cl)c2c1 Amb28348731 [1,1,0,0,0,0|1,0,1]=4 3549 B14R2.142 CCc1ccc2c(c1)C(=O)C=CN2 Amb18178047 [1,1,0,0,0,0|1,0,1]=4 3550 B14R2.142 CCc1ccc2c(c1)C(=O)C=CO2 Amb26349294 [1,1,0,0,0,0|1,0,1]=4 3551 B14R2.142 CCc1ccc2c(c1)C(=O)NC=C2 Amb18349276 [1,1,0,0,0,0|1,0,1]=4 3552 B14R2.142 CCc1ccc2cccc(Br)c2n1 Amb28429730 [1,1,0,0,0,0|1,0,1]=4 3553 B14R2.142 CCc1ccc2cccc(C)c2n1 Amb27975680 [1,1,0,0,0,0|1,0,1]=4 3554 B14R2.142 CCc1ccc2cccc(N)c2n1 Amb28455340 [1,1,0,0,0,0|1,0,1]=4 3555 B14R2.142 CCc1ccc2cccc(O)c2c1 Amb18559371 [1,1,0,0,0,0|0,0,1]=3 3556 B14R2.142 CCc1ccc2ccnc(Br)c2c1 Amb18346432 [1,1,0,0,0,0|1,0,1]=4 3557 B14R2.142 CCc1ccc2ccnc(Cl)c2c1 Amb18346732 [1,1,0,0,0,0|1,0,1]=4 3558 B14R2.142 CCc1ccc2nccc(Br)c2c1 Amb9134335 [1,1,0,0,0,0|1,0,1]=4 3559 B14R2.142 CCc1ccc2nccc(C)c2c1 Amb18352929 [1,1,0,0,0,0|1,0,1]=4 3560 B14R2.142 CCc1ccc2nccc(Cl)c2c1 Amb1994633 [1,1,0,0,0,0|1,0,1]=4 3561 B14R2.142 CCc1ccc2nccc(N)c2c1 Amb1994597 [1,1,0,0,0,0|1,0,1]=4 3562 B14R2.142 CCc1ccc2nccc(O)c2c1 Amb1269028 [1,1,0,0,0,0|1,0,1]=4 3563 B14R2.142 CNc1cc2c(F)cccc2cn1 Amb32697391 [1,1,0,0,0,0|2,0,0]=4 3564 B14R2.142 CNc1ccc2cccc(C)c2n1 Amb28193372 [1,1,0,0,0,0|2,0,0]=4 3565 B14R2.142 CNc1ccc2cccc(O)c2c1 Amb17594347 [1,1,0,0,0,0|1,0,0]=3 3566 B14R2.142 CNc1ccc2cccc(O)c2n1 Amb8506024 [1,1,0,0,0,0|2,0,0]=4 3567 B14R2.142 CNc1ccc2ccnc(O)c2c1 Amb27172774 [1,1,0,0,0,0|2,0,0]=4 3568 B14R2.142 COc1cc2c(Br)cccc2cn1 Amb22735853 [1,1,0,0,0,0|2,0,0]=4 3569 B14R2.142 COc1cc2c(N)cccc2cn1 Amb22500899 [1,1,0,0,0,0|2,0,0]=4 3570 B14R2.142 COc1ccc2c(c1)C(=O)C=CN2 Amb18178164 [1,1,0,0,0,0|2,0,0]=4 3571 B14R2.142 COc1ccc2c(c1)C(=O)C=CN2 Amb33719339 [1,1,0,0,0,0|2,0,0]=4 3572 B14R2.142 COc1ccc2c(c1)C(=O)C=CO2 Amb19666847 [1,1,0,0,0,0|2,0,0]=4 3573 B14R2.142 COc1ccc2c(c1)C(=O)OC=C2 Amb27169698 [1,1,0,0,0,0|2,0,0]=4 3574 B14R2.142 COc1ccc2c(c1)C(=S)C=CN2 Amb22010850 [1,1,0,0,0,0|2,0,0]=4 3575 B14R2.142 COc1ccc2cccc(Br)c2c1 Amb25670283 [1,1,0,0,0,0|1,0,0]=3 3576 B14R2.142 COc1ccc2cccc(Br)c2n1 Amb22494690 [1,1,0,0,0,0|2,0,0]=4 3577 B14R2.142 COc1ccc2cccc(C)c2n1 Amb20171195 [1,1,0,0,0,0|2,0,0]=4 3578 B14R2.142 COc1ccc2cccc(Cl)c2c1 Amb26014314 [1,1,0,0,0,0|1,0,0]=3 3579 B14R2.142 COc1ccc2cccc(Cl)c2n1 Amb26521076 [1,1,0,0,0,0|2,0,0]=4 3580 B14R2.142 COc1ccc2cccc(N)c2c1 Amb18647727 [1,1,0,0,0,0|1,0,0]=3 3581 B14R2.142 COc1ccc2cccc(N)c2n1 Amb22713475 [1,1,0,0,0,0|2,0,0]=4 3582 B14R2.142 COc1ccc2cccc(O)c2c1 Amb3429497 [1,1,0,0,0,0|1,0,0]=3 3583 B14R2.142 COc1ccc2cccc(O)c2n1 Amb1779249 [1,1,0,0,0,0|2,0,0]=4 3584 B14R2.142 COc1ccc2ccnc(Br)c2c1 Amb18062826 [1,1,0,0,0,0|2,0,0]=4 3585 B14R2.142 COc1ccc2ccnc(Cl)c2c1 Amb18560354 [1,1,0,0,0,0|2,0,0]=4 3586 B14R2.142 COc1ccc2ccnc(F)c2c1 Amb35642416 [1,1,0,0,0,0|2,0,0]=4 3587 B14R2.142 COc1ccc2ccnc(I)c2c1 Amb8439711 [1,1,0,0,0,0|2,0,0]=4 3588 B14R2.142 COc1ccc2ccnc(N)c2c1 Amb18560418 [1,1,0,0,0,0|2,0,0]=4 3589 B14R2.142 COc1ccc2ccnc(O)c2c1 Amb18560323 [1,1,0,0,0,0|2,0,0]=4 3590 B14R2.142 COc1ccc2ccnc(S)c2c1 Amb27592542 [1,1,0,0,0,0|2,0,0]=4 3591 B14R2.142 COc1ccc2nccc(Br)c2c1 Amb1994865 [1,1,0,0,0,0|2,0,0]=4 3592 B14R2.142 COc1ccc2nccc(C)c2c1 Amb2689153 [1,1,0,0,0,0|2,0,0]=4 3593 B14R2.142 COc1ccc2nccc(C)c2c1 Amb6383241 [1,1,0,0,0,0|2,0,0]=4 3594 B14R2.142 COc1ccc2nccc(Cl)c2c1 Amb33531717 [1,1,0,0,0,0|2,0,0]=4 3595 B14R2.142 COc1ccc2nccc(I)c2c1 Amb24073902 [1,1,0,0,0,0|2,0,0]=4 3596 B14R2.142 COc1ccc2nccc(N)c2c1 Amb1994316 [1,1,0,0,0,0|2,0,0]=4 3597 B14R2.142 COc1ccc2nccc(O)c2c1 Amb1994274 [1,1,0,0,0,0|2,0,0]=4 3598 B14R2.142 COc1cnc2cccc(Br)c2c1 Amb22048262 [1,1,0,0,0,0|2,0,0]=4 3599 B14R2.142 COc1cnc2cccc(O)c2c1 Amb25700788 [1,1,0,0,0,0|2,0,0]=4 3600 B14R2.142 CSc1ccc2nccc(Cl)c2c1 Amb28313662 [1,1,0,0,0,0|2,0,0]=4 3601 B14R2.142 CSc1ccc2nccc(O)c2c1 Amb27814637 [1,1,0,0,0,0|2,0,0]=4 3602 B14R2.142 Cc1cccc2ccc(C#N)cc12 Amb18646776 [1,1,0,0,0,0|1,0,1]=4 3603 B14R2.142 Cc1cccc2ccc(C=O)cc12 Amb18126683 [1,1,0,0,0,0|0,0,0]=2 3604 B14R2.142 Cc1cccc2ccc(CBr)cc12 Amb27646658 [1,1,0,0,0,0|1,0,1]=4 3605 B14R2.142 Cc1cccc2ccc(CCl)cc12 Amb24408892 [1,1,0,0,0,0|1,0,1]=4 3606 B14R2.142 Cc1cccc2ccc(CO)cc12 Amb27948539 [1,1,0,0,0,0|0,0,2]=4 3607 B14R2.142 Cc1ccnc2ccc(C=O)cc12 Amb18352221 [1,1,0,0,0,0|1,0,0]=3 3608 B14R2.142 ClCc1ccc2cccc(Cl)c2c1 Amb27669831 [1,1,0,0,0,0|1,0,1]=4 3609 B14R2.142 Clc1cccc2ccc(CBr)cc12 Amb26361966 [1,1,0,0,0,0|1,0,1]=4 3610 B14R2.142 Fc1cccc2ccc(CBr)cc12 Amb24627886 [1,1,0,0,0,0|1,0,1]=4 3611 B14R2.142 Fc1cccc2ccc(CCl)cc12 Amb25794171 [1,1,0,0,0,0|1,0,1]=4 3612 B14R2.142 N#Cc1ccc2cccc(Br)c2c1 Amb26620839 [1,1,0,0,0,0|1,0,1]=4 3613 B14R2.142 N#Cc1ccc2cccc(Cl)c2c1 Amb18649708 [1,1,0,0,0,0|1,0,1]=4 3614 B14R2.142 N#Cc1ccc2cccc(F)c2c1 Amb28066692 [1,1,0,0,0,0|1,0,1]=4 3615 B14R2.142 N#Cc1ccc2cccc(N)c2c1 Amb26881008 [1,1,0,0,0,0|1,0,1]=4 3616 B14R2.142 N#Cc1ccc2cccc(O)c2c1 Amb27645358 [1,1,0,0,0,0|1,0,1]=4 3617 B14R2.142 NCc1ccc2cccc(Cl)c2c1 Amb24753193 [1,1,0,0,0,0|1,0,1]=4 3618 B14R2.142 NCc1ccc2cccc(F)c2c1 Amb27471861 [1,1,0,0,0,0|1,0,1]=4 3619 B14R2.142 NCc1ccc2cccc(I)c2c1 Amb25311989 [1,1,0,0,0,0|1,0,1]=4 3620 B14R2.142 NCc1ccc2cccc(O)c2c1 Amb26548811 [1,1,0,0,0,0|1,0,1]=4 3621 B14R2.142 Nc1cccc2ccc(CBr)cc12 Amb25832231 [1,1,0,0,0,0|1,0,1]=4 3622 B14R2.142 Nc1cccc2ccc(CCl)cc12 Amb25114733 [1,1,0,0,0,0|1,0,1]=4 3623 B14R2.142 Nc1cccc2ccc(CO)cc12 Amb25837407 [1,1,0,0,0,0|0,0,2]=4 3624 B14R2.142 Nc1ncnc2ccc(C=O)cc12 Amb26872759 [1,1,0,0,0,0|2,0,0]=4 3625 B14R2.142 O=Cc1cc2c(Br)cccc2cn1 Amb33727996 [1,1,0,0,0,0|1,0,0]=3 3626 B14R2.142 O=Cc1ccc2c(c1)C(=O)NC=N2 Amb22263480 [1,1,0,0,0,0|2,0,0]=4 3627 B14R2.142 O=Cc1ccc2cccc(Br)c2c1 Amb8388175 [1,1,0,0,0,0|0,0,0]=2 3628 B14R2.142 O=Cc1ccc2cccc(Br)c2n1 Amb3931349 [1,1,0,0,0,0|1,0,0]=3 3629 B14R2.142 O=Cc1ccc2cccc(Cl)c2n1 Amb534717 [1,1,0,0,0,0|1,0,0]=3 3630 B14R2.142 O=Cc1ccc2cccc(F)c2c1 Amb18647801 [1,1,0,0,0,0|0,0,0]=2 3631 B14R2.142 O=Cc1ccc2cccc(F)c2n1 Amb3931383 [1,1,0,0,0,0|1,0,0]=3 3632 B14R2.142 O=Cc1ccc2cccc(I)c2c1 Amb27772001 [1,1,0,0,0,0|0,0,0]=2 3633 B14R2.142 O=Cc1ccc2cccc(O)c2c1 Amb26880907 [1,1,0,0,0,0|0,0,0]=2 3634 B14R2.142 O=Cc1ccc2cccc(O)c2n1 Amb547714 [1,1,0,0,0,0|1,0,0]=3 3635 B14R2.142 O=Cc1ccc2ccnc(Cl)c2c1 Amb8629611 [1,1,0,0,0,0|1,0,0]=3 3636 B14R2.142 O=Cc1ccc2cncc(Br)c2n1 Amb27764089 [1,1,0,0,0,0|2,0,0]=4 3637 B14R2.142 O=Cc1ccc2nccc(Cl)c2c1 Amb20620852 [1,1,0,0,0,0|1,0,0]=3 3638 B14R2.142 O=Cc1ccc2ncnc(Cl)c2c1 Amb22235077 [1,1,0,0,0,0|2,0,0]=4 3639 B14R2.142 O=Cc1cnc2cccc(Br)c2c1 Amb18158903 [1,1,0,0,0,0|1,0,0]=3 3640 B14R2.142 O=Cc1cnc2cccc(O)c2c1 Amb27219668 [1,1,0,0,0,0|1,0,0]=3 3641 B14R2.142 O=Cc1cnc2cccc(O)c2n1 Amb27144744 [1,1,0,0,0,0|2,0,0]=4 3642 B14R2.142 O=Cc1ncc2cccc(O)c2n1 Amb28351500 [1,1,0,0,0,0|2,0,0]=4 3643 B14R2.142 O=Nc1ccc2c(c1)C(=O)NC=C2 Amb27208574 [1,1,0,0,0,0|2,0,0]=4 3644 B14R2.142 OCc1ccc2cccc(Br)c2c1 Amb27181100 [1,1,0,0,0,0|0,0,2]=4 3645 B14R2.142 OCc1ccc2cccc(Cl)c2c1 Amb27862555 [1,1,0,0,0,0|0,0,2]=4 3646 B14R2.142 OCc1ccc2cccc(F)c2c1 Amb27261469 [1,1,0,0,0,0|0,0,2]=4 3647 B14R2.142 OCc1ccc2cccc(O)c2c1 Amb28239681 [1,1,0,0,0,0|0,0,2]=4 3648 B14R2.142 Oc1cccc2ccc(CCl)cc12 Amb26564264 [1,1,0,0,0,0|1,0,1]=4 3649 B14R2.1019 BrCc1cc(I)c2ccccc2c1 Amb24743480 [1,1,0,0,0,0|1,0,1]=4 3650 B14R2.1019 C=Cc1cc(C)c2ccccc2n1 Amb27438603 [1,1,0,0,0,0|1,0,1]=4 3651 B14R2.1019 CCC1=CC(=O)c2ccccc2O1 Amb18048528 [1,1,0,0,0,0|1,0,1]=4 3652 B14R2.1019 CCC1=CC(=S)c2ccccc2N1 Amb28041388 [1,1,0,0,0,0|1,0,1]=4 3653 B14R2.1019 CCC1=Cc2ccccc2C(=O)N1 Amb28250132 [1,1,0,0,0,0|1,0,1]=4 3654 B14R2.1019 CCC1=Cc2ccccc2C(=O)O1 Amb20247492 [1,1,0,0,0,0|1,0,1]=4 3655 B14R2.1019 CCc1cc(Br)c2ccccc2n1 Amb28051574 [1,1,0,0,0,0|1,0,1]=4 3656 B14R2.1019 CCc1cc(C)c2ccccc2n1 Amb27175355 [1,1,0,0,0,0|1,0,1]=4 3657 B14R2.1019 CCc1cc(Cl)c2ccccc2n1 Amb9533775 [1,1,0,0,0,0|1,0,1]=4 3658 B14R2.1019 CCc1cc(N)c2ccccc2c1 Amb18126820 [1,1,0,0,0,0|0,0,1]=3 3659 B14R2.1019 CCc1cc(N)c2ccccc2n1 Amb18946867 [1,1,0,0,0,0|1,0,1]=4 3660 B14R2.1019 CCc1cc(O)c2ccccc2n1 Amb22410671 [1,1,0,0,0,0|1,0,1]=4 3661 B14R2.1019 CCc1cc(S)c2ncccc2c1 Amb27261841 [1,1,0,0,0,0|1,0,1]=4 3662 B14R2.1019 CNC1=Cc2ccccc2C(=O)N1 Amb18278369 [1,1,0,0,0,0|2,0,0]=4 3663 B14R2.1019 CNC1=Cc2ccccc2C(=O)O1 Amb27635259 [1,1,0,0,0,0|2,0,0]=4 3664 B14R2.1019 CNc1cc2ccccc2c(C)n1 Amb27858342 [1,1,0,0,0,0|2,0,0]=4 3665 B14R2.1019 COc1cc(Br)c2ccccc2c1 Amb27754022 [1,1,0,0,0,0|1,0,0]=3 3666 B14R2.1019 COc1cc(Br)c2ccccc2n1 Amb24490818 [1,1,0,0,0,0|2,0,0]=4 3667 B14R2.1019 COc1cc(Br)c2cccnc2c1 Amb24076016 [1,1,0,0,0,0|2,0,0]=4 3668 B14R2.1019 COc1cc(Br)c2ccncc2c1 Amb25895582 [1,1,0,0,0,0|2,0,0]=4 3669 B14R2.1019 COc1cc(Br)c2cnccc2c1 Amb26051135 [1,1,0,0,0,0|2,0,0]=4 3670 B14R2.1019 COc1cc(Br)c2ncccc2c1 Amb21963302 [1,1,0,0,0,0|2,0,0]=4 3671 B14R2.1019 COc1cc(C)c2ccccc2c1 Amb24652139 [1,1,0,0,0,0|1,0,0]=3 3672 B14R2.1019 COc1cc(C)c2ncccc2c1 Amb23437328 [1,1,0,0,0,0|2,0,0]=4 3673 B14R2.1019 COc1cc(Cl)c2ccccc2c1 Amb24417708 [1,1,0,0,0,0|1,0,0]=3 3674 B14R2.1019 COc1cc(Cl)c2ncccc2c1 Amb20670601 [1,1,0,0,0,0|2,0,0]=4 3675 B14R2.1019 COc1cc(F)c2ccccc2c1 Amb25060592 [1,1,0,0,0,0|1,0,0]=3 3676 B14R2.1019 COc1cc(F)c2ccccc2n1 Amb27179384 [1,1,0,0,0,0|2,0,0]=4 3677 B14R2.1019 COc1cc(F)c2ccncc2c1 Amb32670332 [1,1,0,0,0,0|2,0,0]=4 3678 B14R2.1019 COc1cc(F)c2ncccc2c1 Amb22495147 [1,1,0,0,0,0|2,0,0]=4 3679 B14R2.1019 COc1cc(I)c2ccccc2n1 Amb27633252 [1,1,0,0,0,0|2,0,0]=4 3680 B14R2.1019 COc1cc(I)c2ncccc2c1 Amb23437327 [1,1,0,0,0,0|2,0,0]=4 3681 B14R2.1019 COc1cc(N)c2ccccc2c1 Amb27233835 [1,1,0,0,0,0|1,0,0]=3 3682 B14R2.1019 COc1cc(N)c2ccccc2n1 Amb26636650 [1,1,0,0,0,0|2,0,0]=4 3683 B14R2.1019 COc1cc(N)c2ccccc2n1 Amb28600366 [1,1,0,0,0,0|2,0,0]=4 3684 B14R2.1019 COc1cc(N)c2ccncc2c1 Amb27459903 [1,1,0,0,0,0|2,0,0]=4 3685 B14R2.1019 COc1cc(N)c2ncccc2c1 Amb1094006 [1,1,0,0,0,0|2,0,0]=4 3686 B14R2.1019 COc1cc(O)c2ccccc2c1 Amb18127199 [1,1,0,0,0,0|1,0,0]=3 3687 B14R2.1019 COc1cc(O)c2cccnc2c1 Amb28243706 [1,1,0,0,0,0|2,0,0]=4 3688 B14R2.1019 COc1cc(O)c2ncccc2c1 Amb13883518 [1,1,0,0,0,0|2,0,0]=4 3689 B14R2.1019 COc1cc([NH3+])c2ncccc2c1 Amb4005869 [1,1,0,0,0,0|2,0,0]=4 3690 B14R2.1019 COc1cc2ccccc2c(N)n1 Amb24649975 [1,1,0,0,0,0|2,0,0]=4 3691 B14R2.1019 CSC1=CC(=O)c2ccccc2N1 Amb27224827 [1,1,0,0,0,0|2,0,0]=4 3692 B14R2.1019 CSC1=CC(=O)c2ccccc2S1 Amb19667918 [1,1,0,0,0,0|2,0,0]=4 3693 B14R2.1019 CSc1cc(C)c2ccccc2n1 Amb28066074 [1,1,0,0,0,0|2,0,0]=4 3694 B14R2.1019 CSc1cc(N)c2ccccc2n1 Amb27407722 [1,1,0,0,0,0|2,0,0]=4 3695 B14R2.1019 CSc1cc(N)c2cccnc2c1 Amb27393850 [1,1,0,0,0,0|2,0,0]=4 3696 B14R2.1019 CSc1cc(S)c2ncccc2c1 Amb27261858 [1,1,0,0,0,0|2,0,0]=4 3697 B14R2.1019 Cc1cc(C#N)cc2ccccc12 Amb27862486 [1,1,0,0,0,0|1,0,1]=4 3698 B14R2.1019 Cc1cc(C=O)cc2ccccc12 Amb18126680 [1,1,0,0,0,0|0,0,0]=2 3699 B14R2.1019 Cc1cc(C=O)cc2cccnc12 Amb19103347 [1,1,0,0,0,0|1,0,0]=3 3700 B14R2.1019 Cc1cc(CBr)cc2ccccc12 Amb25155140 [1,1,0,0,0,0|1,0,1]=4 3701 B14R2.1019 Cc1cc(CCl)cc2ccccc12 Amb28056750 [1,1,0,0,0,0|1,0,1]=4 3702 B14R2.1019 Cc1cc(CO)cc2ccccc12 Amb28385519 [1,1,0,0,0,0|0,0,2]=4 3703 B14R2.1019 Cc1nc(C=O)cc2ccccc12 Amb22495050 [1,1,0,0,0,0|1,0,0]=3 3704 B14R2.1019 Cc1nc(C=O)nc2ccccc12 Amb28385095 [1,1,0,0,0,0|2,0,0]=4 3705 B14R2.1019 ClCc1cc(Br)c2ccccc2c1 Amb25312115 [1,1,0,0,0,0|1,0,1]=4 3706 B14R2.1019 ClCc1cc(Cl)c2ccccc2c1 Amb26458606 [1,1,0,0,0,0|1,0,1]=4 3707 B14R2.1019 ClCc1cc(I)c2ccccc2c1 Amb25797751 [1,1,0,0,0,0|1,0,1]=4 3708 B14R2.1019 Fc1cc(CBr)cc2ccccc12 Amb25800193 [1,1,0,0,0,0|1,0,1]=4 3709 B14R2.1019 Fc1cc(CCl)cc2ccccc12 Amb25829478 [1,1,0,0,0,0|1,0,1]=4 3710 B14R2.1019 N#Cc1cc(Br)c2ccccc2c1 Amb26304234 [1,1,0,0,0,0|1,0,1]=4 3711 B14R2.1019 N#Cc1cc(Cl)c2ccccc2c1 Amb28243492 [1,1,0,0,0,0|1,0,1]=4 3712 B14R2.1019 N#Cc1cc(F)c2ccccc2c1 Amb26565437 [1,1,0,0,0,0|1,0,1]=4 3713 B14R2.1019 N#Cc1cc(I)c2ccccc2c1 Amb26995845 [1,1,0,0,0,0|1,0,1]=4 3714 B14R2.1019 N#Cc1cc(N)c2ccccc2c1 Amb27803720 [1,1,0,0,0,0|1,0,1]=4 3715 B14R2.1019 N#Cc1cc(O)c2ccccc2c1 Amb25065212 [1,1,0,0,0,0|1,0,1]=4 3716 B14R2.1019 NCc1cc(Br)c2ccccc2c1 Amb25778126 [1,1,0,0,0,0|1,0,1]=4 3717 B14R2.1019 NCc1cc(Br)c2ccccc2c1 Amb32683544 [1,1,0,0,0,0|1,0,1]=4 3718 B14R2.1019 NCc1cc(Cl)c2ccccc2c1 Amb28043216 [1,1,0,0,0,0|1,0,1]=4 3719 B14R2.1019 NCc1cc(F)c2ccccc2c1 Amb25973464 [1,1,0,0,0,0|1,0,1]=4 3720 B14R2.1019 NCc1cc(N)c2ccccc2c1 Amb24423138 [1,1,0,0,0,0|1,0,1]=4 3721 B14R2.1019 NCc1cc(O)c2ccccc2c1 Amb25923927 [1,1,0,0,0,0|1,0,1]=4 3722 B14R2.1019 Nc1cc(CBr)cc2ccccc12 Amb24666470 [1,1,0,0,0,0|1,0,1]=4 3723 B14R2.1019 Nc1cc(CCl)cc2ccccc12 Amb24665739 [1,1,0,0,0,0|1,0,1]=4 3724 B14R2.1019 O=CC1=CC(=O)N2C=CC=CC2=N1 Amb25078320 [1,1,0,0,0,0|2,0,0]=4 3725 B14R2.1019 O=CC1=CC(=O)c2ccccc2O1 Amb18127147 [1,1,0,0,0,0|1,0,0]=3 3726 B14R2.1019 O=CC1=CC(=O)c2ccccc2S1 Amb18129854 [1,1,0,0,0,0|1,0,0]=3 3727 B14R2.1019 O=CC1=Cc2ccccc2C(=O)N1 Amb18127023 [1,1,0,0,0,0|1,0,0]=3 3728 B14R2.1019 O=CC1=Nc2ccccc2C(=O)N1 Amb18127153 [1,1,0,0,0,0|2,0,0]=4 3729 B14R2.1019 O=Cc1c[n+]([O-])c2ccccc2n1 Amb28141872 [1,1,0,0,0,0|2,0,0]=4 3730 B14R2.1019 O=Cc1cc(Br)c2ccccc2c1 Amb27827913 [1,1,0,0,0,0|0,0,0]=2 3731 B14R2.1019 O=Cc1cc(Br)c2nccnc2c1 Amb33727998 [1,1,0,0,0,0|2,0,0]=4 3732 B14R2.1019 O=Cc1cc(Cl)c2ccccc2c1 Amb25279349 [1,1,0,0,0,0|0,0,0]=2 3733 B14R2.1019 O=Cc1cc(F)c2ccccc2c1 Amb28127643 [1,1,0,0,0,0|0,0,0]=2 3734 B14R2.1019 O=Cc1cc(F)c2ccccc2n1 Amb28242910 [1,1,0,0,0,0|1,0,0]=3 3735 B14R2.1019 O=Cc1cc(F)c2ncccc2c1 Amb19103321 [1,1,0,0,0,0|1,0,0]=3 3736 B14R2.1019 O=Cc1cc(I)c2ccccc2c1 Amb25865357 [1,1,0,0,0,0|0,0,0]=2 3737 B14R2.1019 O=Cc1cc(O)c2ccccc2c1 Amb27267901 [1,1,0,0,0,0|0,0,0]=2 3738 B14R2.1019 O=Cc1cc(O)c2ccccc2n1 Amb2797662 [1,1,0,0,0,0|1,0,0]=3 3739 B14R2.1019 O=Cc1cc(O)c2cccnc2c1 Amb25983130 [1,1,0,0,0,0|1,0,0]=3 3740 B14R2.1019 O=Cc1cc(O)c2ncccc2c1 Amb18127017 [1,1,0,0,0,0|1,0,0]=3 3741 B14R2.1019 O=Cc1nc(Cl)c2ccccc2n1 Amb26958489 [1,1,0,0,0,0|2,0,0]=4 3742 B14R2.1019 OCc1cc(Br)c2ccccc2c1 Amb25055284 [1,1,0,0,0,0|0,0,2]=4 3743 B14R2.1019 OCc1cc(Cl)c2ccccc2c1 Amb26967026 [1,1,0,0,0,0|0,0,2]=4 3744 B14R2.1019 OCc1cc(F)c2ccccc2c1 Amb25868867 [1,1,0,0,0,0|0,0,2]=4 3745 B14R2.1019 OCc1cc(I)c2ccccc2c1 Amb26989533 [1,1,0,0,0,0|0,0,2]=4 3746 B14R2.1019 OCc1cc(O)c2ccccc2c1 Amb23570400 [1,1,0,0,0,0|0,0,2]=4 3747 B14R2.1019 Oc1cc(CBr)cc2ccccc12 Amb26988702 [1,1,0,0,0,0|1,0,1]=4 3748 B14R2.1019 Oc1cc(CCl)cc2ccccc12 Amb27658821 [1,1,0,0,0,0|1,0,1]=4 3749 B14R2.1128 BrCc1cc2ccccc2cc1I Amb26078041 [1,1,0,0,0,0|1,0,1]=4 3750 B14R2.1128 C#Cc1cc2ccccc2cc1N Amb27393581 [1,1,0,0,0,0|0,0,2]=4 3751 B14R2.1128 C=Cc1cc2ccccc2cc1O Amb28383138 [1,1,0,0,0,0|0,0,1]=3 3752 B14R2.1128 C=Cc1cc2ccccc2nc1C Amb27959077 [1,1,0,0,0,0|1,0,1]=4 3753 B14R2.1128 C=Cc1cc2ccccc2nc1Cl Amb25216291 [1,1,0,0,0,0|1,0,1]=4 3754 B14R2.1128 C=Cc1nc2ccccc2cc1C Amb27209847 [1,1,0,0,0,0|1,0,1]=4 3755 B14R2.1128 CC1=C(C=O)Oc2ccccc2S1 Amb27799849 [1,1,0,0,0,0|2,0,0]=4 3756 B14R2.1128 CC1Oc2ccccc2C=C1C=O Amb2491693 [1,1,0,0,0,0|1,0,1]=4 3757 B14R2.1128 CCC1=Cc2ccccc2NC1=O Amb22723317 [1,1,0,0,0,0|1,0,1]=4 3758 B14R2.1128 CCc1cc2ccccc2cc1Br Amb32650448 [1,1,0,0,0,0|0,0,1]=3 3759 B14R2.1128 CCc1cc2ccccc2cc1Cl Amb32650447 [1,1,0,0,0,0|0,0,1]=3 3760 B14R2.1128 CCc1cc2ccccc2cc1O Amb25059607 [1,1,0,0,0,0|0,0,1]=3 3761 B14R2.1128 CCc1cc2ccccc2nc1Br Amb17158083 [1,1,0,0,0,0|1,0,1]=4 3762 B14R2.1128 CCc1cc2ccccc2nc1C Amb27391662 [1,1,0,0,0,0|1,0,1]=4 3763 B14R2.1128 CCc1cc2ccccc2nc1Cl Amb9134222 [1,1,0,0,0,0|1,0,1]=4 3764 B14R2.1128 CCc1cc2ccccc2nc1N Amb9134103 [1,1,0,0,0,0|1,0,1]=4 3765 B14R2.1128 CCc1nc2ccccc2cc1Br Amb32695576 [1,1,0,0,0,0|1,0,1]=4 3766 B14R2.1128 CCc1nc2ccccc2cc1N Amb26336609 [1,1,0,0,0,0|1,0,1]=4 3767 B14R2.1128 CCc1nc2ccccc2cc1O Amb24749839 [1,1,0,0,0,0|1,0,1]=4 3768 B14R2.1128 CNc1nc2ccccc2cc1C Amb27205570 [1,1,0,0,0,0|2,0,0]=4 3769 B14R2.1128 CNc1nc2ccccc2cc1N Amb27415570 [1,1,0,0,0,0|2,0,0]=4 3770 B14R2.1128 COC1=Cc2ccccc2OC1=O Amb23512578 [1,1,0,0,0,0|2,0,0]=4 3771 B14R2.1128 COc1cc2ccccc2cc1Br Amb22445934 [1,1,0,0,0,0|1,0,0]=3 3772 B14R2.1128 COc1cc2ccccc2cc1C Amb24415328 [1,1,0,0,0,0|1,0,0]=3 3773 B14R2.1128 COc1cc2ccccc2cc1Cl Amb24735700 [1,1,0,0,0,0|1,0,0]=3 3774 B14R2.1128 COc1cc2ccccc2cc1I Amb26595184 [1,1,0,0,0,0|1,0,0]=3 3775 B14R2.1128 COc1cc2ccccc2cc1N Amb18127045 [1,1,0,0,0,0|1,0,0]=3 3776 B14R2.1128 COc1cc2ccccc2cc1O Amb6358072 [1,1,0,0,0,0|1,0,0]=3 3777 B14R2.1128 COc1cc2ccccc2nc1Br Amb25739600 [1,1,0,0,0,0|2,0,0]=4 3778 B14R2.1128 COc1cc2ccccc2nc1Cl Amb24534649 [1,1,0,0,0,0|2,0,0]=4 3779 B14R2.1128 COc1cc2ccccc2nc1O Amb2612889 [1,1,0,0,0,0|2,0,0]=4 3780 B14R2.1128 COc1cc2cccnc2cc1Br Amb23437339 [1,1,0,0,0,0|2,0,0]=4 3781 B14R2.1128 COc1cc2cccnc2cc1C Amb22886999 [1,1,0,0,0,0|2,0,0]=4 3782 B14R2.1128 COc1cc2cccnc2cc1Cl Amb23401102 [1,1,0,0,0,0|2,0,0]=4 3783 B14R2.1128 COc1cc2cccnc2cc1F Amb19957347 [1,1,0,0,0,0|2,0,0]=4 3784 B14R2.1128 COc1cc2cccnc2cc1I Amb23400929 [1,1,0,0,0,0|2,0,0]=4 3785 B14R2.1128 COc1cc2cccnc2cc1N Amb24565737 [1,1,0,0,0,0|2,0,0]=4 3786 B14R2.1128 COc1cc2ccncc2cc1Br Amb25999152 [1,1,0,0,0,0|2,0,0]=4 3787 B14R2.1128 COc1cc2ccncc2cc1O Amb33528714 [1,1,0,0,0,0|2,0,0]=4 3788 B14R2.1128 COc1cc2cnccc2cc1Br Amb25771927 [1,1,0,0,0,0|2,0,0]=4 3789 B14R2.1128 COc1cc2cnccc2cc1F Amb25697053 [1,1,0,0,0,0|2,0,0]=4 3790 B14R2.1128 COc1cc2cnccc2cc1I Amb24566749 [1,1,0,0,0,0|2,0,0]=4 3791 B14R2.1128 COc1cc2cnccc2cc1N Amb18197674 [1,1,0,0,0,0|2,0,0]=4 3792 B14R2.1128 COc1cc2ncccc2cc1Br Amb30594112 [1,1,0,0,0,0|2,0,0]=4 3793 B14R2.1128 COc1cc2ncccc2cc1C Amb25869889 [1,1,0,0,0,0|2,0,0]=4 3794 B14R2.1128 COc1cc2ncccc2cc1F Amb27593053 [1,1,0,0,0,0|2,0,0]=4 3795 B14R2.1128 COc1cc2ncccc2cc1N Amb24427333 [1,1,0,0,0,0|2,0,0]=4 3796 B14R2.1128 COc1nc2ccccc2cc1Br Amb10608360 [1,1,0,0,0,0|2,0,0]=4 3797 B14R2.1128 COc1nc2ccccc2cc1Cl Amb24533657 [1,1,0,0,0,0|2,0,0]=4 3798 B14R2.1128 COc1nc2ccccc2cc1N Amb27179996 [1,1,0,0,0,0|2,0,0]=4 3799 B14R2.1128 COc1nc2ccccc2cc1O Amb27476171 [1,1,0,0,0,0|2,0,0]=4 3800 B14R2.1128 COc1nc2ccccc2cc1S Amb32729752 [1,1,0,0,0,0|2,0,0]=4 3801 B14R2.1128 CSC1=Cc2ccccc2OC1=O Amb27623644 [1,1,0,0,0,0|2,0,0]=4 3802 B14R2.1128 CSc1cc2ccccc2nc1O Amb24564502 [1,1,0,0,0,0|2,0,0]=4 3803 B14R2.1128 CSc1nc2ccccc2cc1Br Amb27209717 [1,1,0,0,0,0|2,0,0]=4 3804 B14R2.1128 Cc1cc2ccccc2cc1C#N Amb27265786 [1,1,0,0,0,0|1,0,1]=4 3805 B14R2.1128 Cc1cc2ccccc2cc1CBr Amb17778929 [1,1,0,0,0,0|1,0,1]=4 3806 B14R2.1128 Cc1cc2ccccc2cc1CCl Amb17778928 [1,1,0,0,0,0|1,0,1]=4 3807 B14R2.1128 Cc1cc2ccccc2cc1CN Amb24665750 [1,1,0,0,0,0|1,0,1]=4 3808 B14R2.1128 Cc1cc2ccccc2cc1CO Amb25943382 [1,1,0,0,0,0|0,0,2]=4 3809 B14R2.1128 Cc1cc2ccccc2nc1C=O Amb22372301 [1,1,0,0,0,0|1,0,0]=3 3810 B14R2.1128 Cc1cc2ncccc2cc1C=O Amb25956006 [1,1,0,0,0,0|1,0,0]=3 3811 B14R2.1128 Cc1nc2ccccc2cc1C=O Amb25178959 [1,1,0,0,0,0|1,0,0]=3 3812 B14R2.1128 Cc1nc2ccccc2nc1C=O Amb6322184 [1,1,0,0,0,0|2,0,0]=4 3813 B14R2.1128 ClCc1cc2ccccc2cc1Br Amb25365052 [1,1,0,0,0,0|1,0,1]=4 3814 B14R2.1128 Clc1cc2ccccc2cc1CBr Amb25958393 [1,1,0,0,0,0|1,0,1]=4 3815 B14R2.1128 Fc1cc2ccccc2cc1CBr Amb26078253 [1,1,0,0,0,0|1,0,1]=4 3816 B14R2.1128 Fc1cc2ccccc2cc1CCl Amb26319359 [1,1,0,0,0,0|1,0,1]=4 3817 B14R2.1128 N#Cc1cc2ccccc2cc1Br Amb25771839 [1,1,0,0,0,0|1,0,1]=4 3818 B14R2.1128 N#Cc1cc2ccccc2cc1Cl Amb27968319 [1,1,0,0,0,0|1,0,1]=4 3819 B14R2.1128 N#Cc1cc2ccccc2cc1F Amb26636420 [1,1,0,0,0,0|1,0,1]=4 3820 B14R2.1128 N#Cc1cc2ccccc2cc1I Amb27870832 [1,1,0,0,0,0|1,0,1]=4 3821 B14R2.1128 N#Cc1cc2ccccc2cc1N Amb2613372 [1,1,0,0,0,0|1,0,1]=4 3822 B14R2.1128 N#Cc1cc2ccccc2cc1O Amb27591627 [1,1,0,0,0,0|1,0,1]=4 3823 B14R2.1128 NCc1cc2ccccc2cc1Br Amb25980274 [1,1,0,0,0,0|1,0,1]=4 3824 B14R2.1128 NCc1cc2ccccc2cc1Cl Amb25299156 [1,1,0,0,0,0|1,0,1]=4 3825 B14R2.1128 NCc1cc2ccccc2cc1I Amb24448245 [1,1,0,0,0,0|1,0,1]=4 3826 B14R2.1128 NCc1cc2ccccc2cc1N Amb18944641 [1,1,0,0,0,0|1,0,1]=4 3827 B14R2.1128 NCc1cc2ccccc2cc1O Amb26044834 [1,1,0,0,0,0|1,0,1]=4 3828 B14R2.1128 NNc1cc2ccccc2cc1O Amb27830653 [1,1,0,0,0,0|2,0,0]=4 3829 B14R2.1128 Nc1cc2ccccc2cc1C=O Amb25782655 [1,1,0,0,0,0|0,0,0]=2 3830 B14R2.1128 Nc1cc2ccccc2cc1CBr Amb27180804 [1,1,0,0,0,0|1,0,1]=4 3831 B14R2.1128 Nc1cc2ccccc2cc1CCl Amb27862433 [1,1,0,0,0,0|1,0,1]=4 3832 B14R2.1128 Nc1cc2ccccc2cc1CO Amb19959319 [1,1,0,0,0,0|0,0,2]=4 3833 B14R2.1128 Nc1cc2ccccc2nc1C=O Amb23401878 [1,1,0,0,0,0|1,0,0]=3 3834 B14R2.1128 Nc1nc2ccccc2cc1C=O Amb24624679 [1,1,0,0,0,0|1,0,0]=3 3835 B14R2.1128 Nc1nc2ccccc2nc1C=O Amb25794060 [1,1,0,0,0,0|2,0,0]=4 3836 B14R2.1128 Nc1nc2ncccc2cc1C=O Amb25109110 [1,1,0,0,0,0|2,0,0]=4 3837 B14R2.1128 O=CC1=C(Cl)Nc2ccccc2S1 Amb27751277 [1,1,0,0,0,0|2,0,0]=4 3838 B14R2.1128 O=CC1=C(O)Nc2ccccc2N1 Amb27265827 [1,1,0,0,0,0|2,0,0]=4 3839 B14R2.1128 O=CC1=Cc2ccccc2NC1=O Amb18014582 [1,1,0,0,0,0|1,0,0]=3 3840 B14R2.1128 O=CC1=Cc2ccccc2OC1=O Amb18647793 [1,1,0,0,0,0|1,0,0]=3 3841 B14R2.1128 O=Cc1cc2ccccc2cc1Cl Amb18650675 [1,1,0,0,0,0|0,0,0]=2 3842 B14R2.1128 O=Cc1cc2ccccc2cc1F Amb18647802 [1,1,0,0,0,0|0,0,0]=2 3843 B14R2.1128 O=Cc1cc2ccccc2cc1I Amb27223051 [1,1,0,0,0,0|0,0,0]=2 3844 B14R2.1128 O=Cc1cc2ccccc2cc1O Amb5494028 [1,1,0,0,0,0|0,0,0]=2 3845 B14R2.1128 O=Cc1cc2ccccc2nc1Cl Amb6334856 [1,1,0,0,0,0|1,0,0]=3 3846 B14R2.1128 O=Cc1cc2ccccc2nc1F Amb27179991 [1,1,0,0,0,0|1,0,0]=3 3847 B14R2.1128 O=Cc1cc2ccccc2nc1I Amb21897312 [1,1,0,0,0,0|1,0,0]=3 3848 B14R2.1128 O=Cc1cc2ccccc2nc1O Amb1794818 [1,1,0,0,0,0|1,0,0]=3 3849 B14R2.1128 O=Cc1cc2ccccc2nc1S Amb1153030 [1,1,0,0,0,0|1,0,0]=3 3850 B14R2.1128 O=Cc1cc2cccnc2cc1Br Amb27180877 [1,1,0,0,0,0|1,0,0]=3 3851 B14R2.1128 O=Cc1cc2cccnc2cc1F Amb20076039 [1,1,0,0,0,0|1,0,0]=3 3852 B14R2.1128 O=Cc1cc2cccnc2cc1O Amb24432684 [1,1,0,0,0,0|1,0,0]=3 3853 B14R2.1128 O=Cc1nc2ccccc2cc1Br Amb19516501 [1,1,0,0,0,0|1,0,0]=3 3854 B14R2.1128 O=Cc1nc2ccccc2cc1Cl Amb25859966 [1,1,0,0,0,0|1,0,0]=3 3855 B14R2.1128 O=Cc1nc2ccccc2cc1F Amb22547353 [1,1,0,0,0,0|1,0,0]=3 3856 B14R2.1128 O=Cc1nc2ccccc2cc1I Amb27487355 [1,1,0,0,0,0|1,0,0]=3 3857 B14R2.1128 O=Cc1nc2ccccc2nc1Br Amb26864091 [1,1,0,0,0,0|2,0,0]=4 3858 B14R2.1128 O=Cc1nc2ccccc2nc1Cl Amb18651347 [1,1,0,0,0,0|2,0,0]=4 3859 B14R2.1128 O=Cc1nc2ccccc2nc1I Amb24549250 [1,1,0,0,0,0|2,0,0]=4 3860 B14R2.1128 O=Cc1nc2ccccc2nc1O Amb17594377 [1,1,0,0,0,0|2,0,0]=4 3861 B14R2.1128 OCc1cc2ccccc2cc1Br Amb27814189 [1,1,0,0,0,0|0,0,2]=4 3862 B14R2.1128 OCc1cc2ccccc2cc1Cl Amb26512048 [1,1,0,0,0,0|0,0,2]=4 3863 B14R2.1128 OCc1cc2ccccc2cc1F Amb25927086 [1,1,0,0,0,0|0,0,2]=4 3864 B14R2.1128 OCc1cc2ccccc2cc1I Amb27949521 [1,1,0,0,0,0|0,0,2]=4 3865 B14R2.1128 OCc1cc2ccccc2cc1O Amb18127196 [1,1,0,0,0,0|0,0,2]=4 3866 B14R2.1128 Oc1cc2ccccc2cc1CBr Amb26316705 [1,1,0,0,0,0|1,0,1]=4 3867 B14R2.1128 Oc1cc2ccccc2cc1CCl Amb26053532 [1,1,0,0,0,0|1,0,1]=4 3868 B14R2.1801 BrCc1ccc2c(Br)cccc2c1 Amb24382675 [1,1,0,0,0,0|1,0,1]=4 3869 B14R2.1801 BrCc1ccc2c(I)cccc2c1 Amb28140648 [1,1,0,0,0,0|1,0,1]=4 3870 B14R2.1801 C=Cc1ccc2c(N)cccc2n1 Amb27246699 [1,1,0,0,0,0|1,0,1]=4 3871 B14R2.1801 CCc1ccc2c(Br)nccc2c1 Amb18560388 [1,1,0,0,0,0|1,0,1]=4 3872 B14R2.1801 CCc1ccc2c(Cl)nccc2c1 Amb17216941 [1,1,0,0,0,0|1,0,1]=4 3873 B14R2.1801 CCc1ccc2c(N)cccc2n1 Amb25712154 [1,1,0,0,0,0|1,0,1]=4 3874 B14R2.1801 CCc1ccc2c(N)nccc2c1 Amb17216961 [1,1,0,0,0,0|1,0,1]=4 3875 B14R2.1801 CCc1ccc2c(O)nccc2c1 Amb18560321 [1,1,0,0,0,0|1,0,1]=4 3876 B14R2.1801 CCc1ccc2c(c1)OC=CC2=O Amb28052822 [1,1,0,0,0,0|1,0,1]=4 3877 B14R2.1801 CCc1cnc2c(C)cccc2c1 Amb17334866 [1,1,0,0,0,0|1,0,1]=4 3878 B14R2.1801 CCc1cnc2c(F)cccc2c1 Amb28242548 [1,1,0,0,0,0|1,0,1]=4 3879 B14R2.1801 CCc1cnc2c(O)cccc2c1 Amb18127051 [1,1,0,0,0,0|1,0,1]=4 3880 B14R2.1801 CNc1ccc2c(Cl)nccc2c1 Amb27798489 [1,1,0,0,0,0|2,0,0]=4 3881 B14R2.1801 COc1cc2cccc(N)c2cn1 Amb25898312 [1,1,0,0,0,0|2,0,0]=4 3882 B14R2.1801 COc1ccc2c(Br)cccc2n1 Amb18157722 [1,1,0,0,0,0|2,0,0]=4 3883 B14R2.1801 COc1ccc2c(Br)ccnc2c1 Amb9134337 [1,1,0,0,0,0|2,0,0]=4 3884 B14R2.1801 COc1ccc2c(Br)nccc2c1 Amb18062821 [1,1,0,0,0,0|2,0,0]=4 3885 B14R2.1801 COc1ccc2c(C)cccc2c1 Amb23448322 [1,1,0,0,0,0|1,0,0]=3 3886 B14R2.1801 COc1ccc2c(C)ccnc2c1 Amb20240028 [1,1,0,0,0,0|2,0,0]=4 3887 B14R2.1801 COc1ccc2c(C)ccnc2c1 Amb8496543 [1,1,0,0,0,0|2,0,0]=4 3888 B14R2.1801 COc1ccc2c(C)nccc2c1 Amb24580619 [1,1,0,0,0,0|2,0,0]=4 3889 B14R2.1801 COc1ccc2c(Cl)cccc2c1 Amb24330978 [1,1,0,0,0,0|1,0,0]=3 3890 B14R2.1801 COc1ccc2c(Cl)ccnc2c1 Amb1994639 [1,1,0,0,0,0|2,0,0]=4 3891 B14R2.1801 COc1ccc2c(Cl)nccc2c1 Amb10603410 [1,1,0,0,0,0|2,0,0]=4 3892 B14R2.1801 COc1ccc2c(F)cccc2c1 Amb24330977 [1,1,0,0,0,0|1,0,0]=3 3893 B14R2.1801 COc1ccc2c(F)nccc2c1 Amb28202693 [1,1,0,0,0,0|2,0,0]=4 3894 B14R2.1801 COc1ccc2c(N)cccc2n1 Amb18127236 [1,1,0,0,0,0|2,0,0]=4 3895 B14R2.1801 COc1ccc2c(N)ccnc2c1 Amb1994611 [1,1,0,0,0,0|2,0,0]=4 3896 B14R2.1801 COc1ccc2c(N)nccc2c1 Amb17216965 [1,1,0,0,0,0|2,0,0]=4 3897 B14R2.1801 COc1ccc2c(O)cccc2c1 Amb10603866 [1,1,0,0,0,0|1,0,0]=3 3898 B14R2.1801 COc1ccc2c(O)cccc2n1 Amb25735678 [1,1,0,0,0,0|2,0,0]=4 3899 B14R2.1801 COc1ccc2c(O)ccnc2c1 Amb1994268 [1,1,0,0,0,0|2,0,0]=4 3900 B14R2.1801 COc1ccc2c(O)nccc2c1 Amb18560322 [1,1,0,0,0,0|2,0,0]=4 3901 B14R2.1801 COc1ccc2c(c1)C=CNC2=O Amb18034940 [1,1,0,0,0,0|2,0,0]=4 3902 B14R2.1801 COc1ccc2c(c1)CC=CC2=O Amb21952654 [1,1,0,0,0,0|1,0,1]=4 3903 B14R2.1801 COc1ccc2c(c1)NC=CC2=O Amb22234843 [1,1,0,0,0,0|2,0,0]=4 3904 B14R2.1801 COc1ccc2c(c1)NC=CC2=S Amb24109680 [1,1,0,0,0,0|2,0,0]=4 3905 B14R2.1801 COc1ccc2c(c1)OC=CC2=O Amb19894750 [1,1,0,0,0,0|2,0,0]=4 3906 B14R2.1801 COc1ccc2c(ccc[n+]2C)c1 Amb8503643 [1,1,0,0,0,0|2,0,0]=4 3907 B14R2.1801 COc1cnc2c(Br)cccc2c1 Amb27623928 [1,1,0,0,0,0|2,0,0]=4 3908 B14R2.1801 COc1cnc2c(N)cccc2c1 Amb24183789 [1,1,0,0,0,0|2,0,0]=4 3909 B14R2.1801 COc1cnc2c(O)cccc2c1 Amb25852325 [1,1,0,0,0,0|2,0,0]=4 3910 B14R2.1801 CSc1ccc2c(Cl)ccnc2c1 Amb28187145 [1,1,0,0,0,0|2,0,0]=4 3911 B14R2.1801 CSc1cnc2c(N)cccc2c1 Amb27794585 [1,1,0,0,0,0|2,0,0]=4 3912 B14R2.1801 Cc1cccc2cc(C#N)ccc12 Amb28243705 [1,1,0,0,0,0|1,0,1]=4 3913 B14R2.1801 Cc1cccc2cc(C=O)cnc12 Amb17334840 [1,1,0,0,0,0|1,0,0]=3 3914 B14R2.1801 Cc1cccc2cc(CBr)ccc12 Amb26498671 [1,1,0,0,0,0|1,0,1]=4 3915 B14R2.1801 Cc1cccc2cc(CN)ccc12 Amb25108578 [1,1,0,0,0,0|1,0,1]=4 3916 B14R2.1801 Cc1cccc2cc(CO)ccc12 Amb26507940 [1,1,0,0,0,0|0,0,2]=4 3917 B14R2.1801 Cc1ccnc2cc(C=O)ccc12 Amb19103286 [1,1,0,0,0,0|1,0,0]=3 3918 B14R2.1801 ClCc1ccc2c(Br)cccc2c1 Amb24713434 [1,1,0,0,0,0|1,0,1]=4 3919 B14R2.1801 ClCc1ccc2c(Cl)cccc2c1 Amb28323102 [1,1,0,0,0,0|1,0,1]=4 3920 B14R2.1801 Clc1cccc2cc(CBr)ccc12 Amb25364192 [1,1,0,0,0,0|1,0,1]=4 3921 B14R2.1801 Fc1cccc2cc(CBr)ccc12 Amb27263604 [1,1,0,0,0,0|1,0,1]=4 3922 B14R2.1801 Fc1cccc2cc(CCl)ccc12 Amb27966780 [1,1,0,0,0,0|1,0,1]=4 3923 B14R2.1801 N#Cc1ccc2c(Br)cccc2c1 Amb27778537 [1,1,0,0,0,0|1,0,1]=4 3924 B14R2.1801 N#Cc1ccc2c(Cl)cccc2c1 Amb18649707 [1,1,0,0,0,0|1,0,1]=4 3925 B14R2.1801 N#Cc1ccc2c(F)cccc2c1 Amb28243611 [1,1,0,0,0,0|1,0,1]=4 3926 B14R2.1801 N#Cc1ccc2c(N)cccc2c1 Amb27607185 [1,1,0,0,0,0|1,0,1]=4 3927 B14R2.1801 N#Cc1ccc2c(O)cccc2c1 Amb26843203 [1,1,0,0,0,0|1,0,1]=4 3928 B14R2.1801 NCc1ccc2c(Br)cccc2c1 Amb17777802 [1,1,0,0,0,0|1,0,1]=4 3929 B14R2.1801 NCc1ccc2c(Br)cccc2c1 Amb17777803 [1,1,0,0,0,0|1,0,1]=4 3930 B14R2.1801 NCc1ccc2c(Br)cccc2c1 Amb17777804 [1,1,0,0,0,0|1,0,1]=4 3931 B14R2.1801 NCc1ccc2c(Cl)cccc2c1 Amb25700301 [1,1,0,0,0,0|1,0,1]=4 3932 B14R2.1801 NCc1ccc2c(F)cccc2c1 Amb27618165 [1,1,0,0,0,0|1,0,1]=4 3933 B14R2.1801 NCc1ccc2c(I)cccc2c1 Amb26017148 [1,1,0,0,0,0|1,0,1]=4 3934 B14R2.1801 NCc1ccc2c(N)cccc2c1 Amb27483021 [1,1,0,0,0,0|1,0,1]=4 3935 B14R2.1801 NCc1ccc2c(O)cccc2c1 Amb24379524 [1,1,0,0,0,0|1,0,1]=4 3936 B14R2.1801 Nc1cccc2cc(C=O)ccc12 Amb24532068 [1,1,0,0,0,0|0,0,0]=2 3937 B14R2.1801 Nc1cccc2cc(CBr)ccc12 Amb27177257 [1,1,0,0,0,0|1,0,1]=4 3938 B14R2.1801 Nc1cccc2cc(CCl)ccc12 Amb24496882 [1,1,0,0,0,0|1,0,1]=4 3939 B14R2.1801 Nc1cccc2cc(CO)ccc12 Amb24585608 [1,1,0,0,0,0|0,0,2]=4 3940 B14R2.1801 O=CC1=Cc2cccc(O)c2OC1 Amb2372064 [1,1,0,0,0,0|1,0,1]=4 3941 B14R2.1801 O=Cc1ccc2c(Br)cccc2c1 Amb8388173 [1,1,0,0,0,0|0,0,0]=2 3942 B14R2.1801 O=Cc1ccc2c(Br)cccc2n1 Amb24113225 [1,1,0,0,0,0|1,0,0]=3 3943 B14R2.1801 O=Cc1ccc2c(Cl)cccc2c1 Amb27834339 [1,1,0,0,0,0|0,0,0]=2 3944 B14R2.1801 O=Cc1ccc2c(Cl)cccc2n1 Amb18650977 [1,1,0,0,0,0|1,0,0]=3 3945 B14R2.1801 O=Cc1ccc2c(Cl)nccc2c1 Amb22735846 [1,1,0,0,0,0|1,0,0]=3 3946 B14R2.1801 O=Cc1ccc2c(F)cccc2c1 Amb25373918 [1,1,0,0,0,0|0,0,0]=2 3947 B14R2.1801 O=Cc1ccc2c(I)cccc2c1 Amb27608404 [1,1,0,0,0,0|0,0,0]=2 3948 B14R2.1801 O=Cc1ccc2c(O)cccc2c1 Amb26494469 [1,1,0,0,0,0|0,0,0]=2 3949 B14R2.1801 O=Cc1ccc2c(O)cccc2n1 Amb26512183 [1,1,0,0,0,0|1,0,0]=3 3950 B14R2.1801 O=Cc1ccc2c(O)ccnc2c1 Amb25716471 [1,1,0,0,0,0|1,0,0]=3 3951 B14R2.1801 O=Cc1ccc2c(c1)C=NNC2=O Amb27843621 [1,1,0,0,0,0|2,0,0]=4 3952 B14R2.1801 O=Cc1cnc2c(Br)cccc2c1 Amb18737750 [1,1,0,0,0,0|1,0,0]=3 3953 B14R2.1801 O=Cc1cnc2c(Cl)cccc2c1 Amb18190722 [1,1,0,0,0,0|1,0,0]=3 3954 B14R2.1801 O=Cc1cnc2c(F)cccc2c1 Amb18197492 [1,1,0,0,0,0|1,0,0]=3 3955 B14R2.1801 O=Cc1cnc2c(O)cccc2c1 Amb28243414 [1,1,0,0,0,0|1,0,0]=3 3956 B14R2.1801 O=Cc1cnc2c(O)cccc2n1 Amb27803749 [1,1,0,0,0,0|2,0,0]=4 3957 B14R2.1801 OCc1ccc2c(Br)cccc2c1 Amb22462915 [1,1,0,0,0,0|0,0,2]=4 3958 B14R2.1801 OCc1ccc2c(Cl)cccc2c1 Amb24346715 [1,1,0,0,0,0|0,0,2]=4 3959 B14R2.1801 OCc1ccc2c(F)cccc2c1 Amb25697123 [1,1,0,0,0,0|0,0,2]=4 3960 B14R2.1801 OCc1ccc2c(O)cccc2c1 Amb22492716 [1,1,0,0,0,0|0,0,2]=4 3961 B14R2.1801 Oc1cccc2cc(CBr)ccc12 Amb27642501 [1,1,0,0,0,0|1,0,1]=4 3962 B14R2.1801 Oc1cccc2cc(CCl)ccc12 Amb24730544 [1,1,0,0,0,0|1,0,1]=4 3963 B14R2.2332 BrCc1ccc2cc(Br)ccc2c1 Amb20247816 [1,1,0,0,0,0|1,0,1]=4 3964 B14R2.2332 BrCc1ccc2cc(I)ccc2c1 Amb27224131 [1,1,0,0,0,0|1,0,1]=4 3965 B14R2.2332 C#Cc1ccc2cc(O)ccc2c1 Amb24706763 [1,1,0,0,0,0|0,0,2]=4 3966 B14R2.2332 C=Cc1ccc2cc(O)ccc2c1 Amb22495804 [1,1,0,0,0,0|0,0,1]=3 3967 B14R2.2332 C=Cc1ccc2nc(C)ccc2c1 Amb27217861 [1,1,0,0,0,0|1,0,1]=4 3968 B14R2.2332 CCc1ccc2c(c1)C=CC(=O)N2 Amb18546031 [1,1,0,0,0,0|1,0,1]=4 3969 B14R2.2332 CCc1ccc2cc(C)ccc2c1 Amb26519635 [1,1,0,0,0,0|0,0,1]=3 3970 B14R2.2332 CCc1ccc2cc(F)ccc2n1 Amb27179995 [1,1,0,0,0,0|1,0,1]=4 3971 B14R2.2332 CCc1ccc2cc(N)ccc2n1 Amb24531670 [1,1,0,0,0,0|1,0,1]=4 3972 B14R2.2332 CCc1ccc2cc(N)cnc2c1 Amb27484867 [1,1,0,0,0,0|1,0,1]=4 3973 B14R2.2332 CCc1ccc2cc(O)ccc2c1 Amb8387657 [1,1,0,0,0,0|0,0,1]=3 3974 B14R2.2332 CCc1ccc2cc(O)ncc2c1 Amb28139990 [1,1,0,0,0,0|1,0,1]=4 3975 B14R2.2332 CCc1ccc2nc(Br)ccc2c1 Amb28349921 [1,1,0,0,0,0|1,0,1]=4 3976 B14R2.2332 CCc1ccc2nc(C)ccc2c1 Amb1994250 [1,1,0,0,0,0|1,0,1]=4 3977 B14R2.2332 CCc1ccc2nc(S)ccc2c1 Amb28317468 [1,1,0,0,0,0|1,0,1]=4 3978 B14R2.2332 CCc1cnc2cc(C)ccc2c1 Amb17334867 [1,1,0,0,0,0|1,0,1]=4 3979 B14R2.2332 CCc1cnc2cc(O)ccc2c1 Amb27974465 [1,1,0,0,0,0|1,0,1]=4 3980 B14R2.2332 CNc1ccc2c(c1)C=CC(=O)N2 Amb25800987 [1,1,0,0,0,0|2,0,0]=4 3981 B14R2.2332 CNc1ccc2cc(Br)ccc2c1 Amb27851207 [1,1,0,0,0,0|1,0,0]=3 3982 B14R2.2332 CNc1ccc2cc(Br)ccc2n1 Amb26980680 [1,1,0,0,0,0|2,0,0]=4 3983 B14R2.2332 CNc1ccc2cc(C)ccc2n1 Amb28193373 [1,1,0,0,0,0|2,0,0]=4 3984 B14R2.2332 CNc1ccc2cc(N)ccc2n1 Amb9310169 [1,1,0,0,0,0|2,0,0]=4 3985 B14R2.2332 COC1=CC2=CNC(=O)C=C2C=C1 Amb26603414 [1,1,0,0,0,0|2,0,0]=4 3986 B14R2.2332 COc1cc2ccc(Br)cc2cn1 Amb22735852 [1,1,0,0,0,0|2,0,0]=4 3987 B14R2.2332 COc1cc2ccc(N)cc2cn1 Amb22500898 [1,1,0,0,0,0|2,0,0]=4 3988 B14R2.2332 COc1ccc2c(c1)C=CC(=O)N2 Amb18546025 [1,1,0,0,0,0|2,0,0]=4 3989 B14R2.2332 COc1ccc2c(c1)C=CC(=O)O2 Amb19892427 [1,1,0,0,0,0|2,0,0]=4 3990 B14R2.2332 COc1ccc2c[n+]([O-])ccc2c1 Amb22500172 [1,1,0,0,0,0|2,0,0]=4 3991 B14R2.2332 COc1ccc2cc(Br)ccc2c1 Amb6365011 [1,1,0,0,0,0|1,0,0]=3 3992 B14R2.2332 COc1ccc2cc(Br)ccc2n1 Amb10608831 [1,1,0,0,0,0|2,0,0]=4 3993 B14R2.2332 COc1ccc2cc(Br)cnc2c1 Amb20241799 [1,1,0,0,0,0|2,0,0]=4 3994 B14R2.2332 COc1ccc2cc(C)ccc2c1 Amb22749231 [1,1,0,0,0,0|1,0,0]=3 3995 B14R2.2332 COc1ccc2cc(C)ccc2n1 Amb28341767 [1,1,0,0,0,0|2,0,0]=4 3996 B14R2.2332 COc1ccc2cc(C)cnc2c1 Amb27865816 [1,1,0,0,0,0|2,0,0]=4 3997 B14R2.2332 COc1ccc2cc(C)ncc2c1 Amb21857935 [1,1,0,0,0,0|2,0,0]=4 3998 B14R2.2332 COc1ccc2cc(Cl)cnc2c1 Amb20242057 [1,1,0,0,0,0|2,0,0]=4 3999 B14R2.2332 COc1ccc2cc(Cl)ncc2c1 Amb24099959 [1,1,0,0,0,0|2,0,0]=4 4000 B14R2.2332 COc1ccc2cc(F)ccc2n1 Amb19959135 [1,1,0,0,0,0|2,0,0]=4 4001 B14R2.2332 COc1ccc2cc(I)ccc2c1 Amb22749216 [1,1,0,0,0,0|1,0,0]=3 4002 B14R2.2332 COc1ccc2cc(I)cnc2c1 Amb22497629 [1,1,0,0,0,0|2,0,0]=4 4003 B14R2.2332 COc1ccc2cc(N)ccc2c1 Amb18279523 [1,1,0,0,0,0|1,0,0]=3 4004 B14R2.2332 COc1ccc2cc(N)ccc2c1 Amb32652033 [1,1,0,0,0,0|1,0,0]=3 4005 B14R2.2332 COc1ccc2cc(N)ccc2n1 Amb9310368 [1,1,0,0,0,0|2,0,0]=4 4006 B14R2.2332 COc1ccc2cc(N)cnc2c1 Amb15741138 [1,1,0,0,0,0|2,0,0]=4 4007 B14R2.2332 COc1ccc2cc(N)cnc2c1 Amb9830331 [1,1,0,0,0,0|2,0,0]=4 4008 B14R2.2332 COc1ccc2cc(O)ccc2c1 Amb17689147 [1,1,0,0,0,0|1,0,0]=3 4009 B14R2.2332 COc1ccc2cc(O)cnc2c1 Amb26501443 [1,1,0,0,0,0|2,0,0]=4 4010 B14R2.2332 COc1ccc2cc(S)ccc2c1 Amb19040993 [1,1,0,0,0,0|1,0,0]=3 4011 B14R2.2332 COc1ccc2nc(Br)ccc2c1 Amb22263104 [1,1,0,0,0,0|2,0,0]=4 4012 B14R2.2332 COc1ccc2nc(C)ccc2c1 Amb1774422 [1,1,0,0,0,0|2,0,0]=4 4013 B14R2.2332 COc1ccc2nc(Cl)ccc2c1 Amb1773592 [1,1,0,0,0,0|2,0,0]=4 4014 B14R2.2332 COc1ccc2nc(N)ccc2c1 Amb8386592 [1,1,0,0,0,0|2,0,0]=4 4015 B14R2.2332 COc1ccc2nc(S)ccc2c1 Amb25127710 [1,1,0,0,0,0|2,0,0]=4 4016 B14R2.2332 COc1cnc2cc(Br)ccc2c1 Amb22236117 [1,1,0,0,0,0|2,0,0]=4 4017 B14R2.2332 CSc1ccc2cc(Br)ccc2n1 Amb27438712 [1,1,0,0,0,0|2,0,0]=4 4018 B14R2.2332 CSc1ccc2cc(C)ccc2n1 Amb10809159 [1,1,0,0,0,0|2,0,0]=4 4019 B14R2.2332 CSc1ccc2cc(O)ccc2c1 Amb28202173 [1,1,0,0,0,0|1,0,0]=3 4020 B14R2.2332 Cc1ccc2c(c1)NC=C(C=O)O2 Amb28384528 [1,1,0,0,0,0|2,0,0]=4 4021 B14R2.2332 Cc1ccc2cc(C#N)ccc2c1 Amb25074500 [1,1,0,0,0,0|1,0,1]=4 4022 B14R2.2332 Cc1ccc2cc(C=O)ccc2c1 Amb18647394 [1,1,0,0,0,0|0,0,0]=2 4023 B14R2.2332 Cc1ccc2cc(C=O)ccc2n1 Amb2723430 [1,1,0,0,0,0|1,0,0]=3 4024 B14R2.2332 Cc1ccc2cc(C=O)cnc2c1 Amb8472713 [1,1,0,0,0,0|1,0,0]=3 4025 B14R2.2332 Cc1ccc2cc(C=O)cnc2n1 Amb32642174 [1,1,0,0,0,0|2,0,0]=4 4026 B14R2.2332 Cc1ccc2cc(CBr)ccc2c1 Amb26858360 [1,1,0,0,0,0|1,0,1]=4 4027 B14R2.2332 Cc1ccc2cc(CN)ccc2c1 Amb24417810 [1,1,0,0,0,0|1,0,1]=4 4028 B14R2.2332 Cc1ccc2cc(CO)ccc2c1 Amb2609097 [1,1,0,0,0,0|0,0,2]=4 4029 B14R2.2332 Cc1ccc2nc(C=O)ccc2c1 Amb3931348 [1,1,0,0,0,0|1,0,0]=3 4030 B14R2.2332 ClCc1ccc2cc(Br)ccc2c1 Amb20247817 [1,1,0,0,0,0|1,0,1]=4 4031 B14R2.2332 ClCc1ccc2cc(Cl)ccc2c1 Amb27667811 [1,1,0,0,0,0|1,0,1]=4 4032 B14R2.2332 ClCc1ccc2cc(I)ccc2c1 Amb25364115 [1,1,0,0,0,0|1,0,1]=4 4033 B14R2.2332 Fc1ccc2cc(CBr)ccc2c1 Amb27967811 [1,1,0,0,0,0|1,0,1]=4 4034 B14R2.2332 Fc1ccc2cc(CCl)ccc2c1 Amb25808017 [1,1,0,0,0,0|1,0,1]=4 4035 B14R2.2332 N#Cc1ccc2cc(Br)ccc2c1 Amb25824592 [1,1,0,0,0,0|1,0,1]=4 4036 B14R2.2332 N#Cc1ccc2cc(F)ccc2c1 Amb10840775 [1,1,0,0,0,0|1,0,1]=4 4037 B14R2.2332 N#Cc1ccc2cc(I)ccc2c1 Amb27463069 [1,1,0,0,0,0|1,0,1]=4 4038 B14R2.2332 N#Cc1ccc2cc(N)ccc2c1 Amb26319285 [1,1,0,0,0,0|1,0,1]=4 4039 B14R2.2332 N#Cc1ccc2cc(O)ccc2c1 Amb9786902 [1,1,0,0,0,0|1,0,1]=4 4040 B14R2.2332 N#[N+]c1ccc2cc(Br)ccc2c1 Amb27236610 [1,1,0,0,0,0|2,0,0]=4 4041 B14R2.2332 NCc1ccc2cc(Br)ccc2c1 Amb27624520 [1,1,0,0,0,0|1,0,1]=4 4042 B14R2.2332 NCc1ccc2cc(F)ccc2c1 Amb26873958 [1,1,0,0,0,0|1,0,1]=4 4043 B14R2.2332 NCc1ccc2cc(I)ccc2c1 Amb25758903 [1,1,0,0,0,0|1,0,1]=4 4044 B14R2.2332 NCc1ccc2cc(O)ccc2c1 Amb19929962 [1,1,0,0,0,0|1,0,1]=4 4045 B14R2.2332 NOc1ccc2cc(Br)ccc2c1 Amb27188210 [1,1,0,0,0,0|2,0,0]=4 4046 B14R2.2332 Nc1ccc2cc(C=O)ccc2c1 Amb26317884 [1,1,0,0,0,0|0,0,0]=2 4047 B14R2.2332 Nc1ccc2cc(C=O)ccc2n1 Amb27216664 [1,1,0,0,0,0|1,0,0]=3 4048 B14R2.2332 Nc1ccc2cc(CBr)ccc2c1 Amb27177287 [1,1,0,0,0,0|1,0,1]=4 4049 B14R2.2332 Nc1ccc2cc(CCl)ccc2c1 Amb25839869 [1,1,0,0,0,0|1,0,1]=4 4050 B14R2.2332 Nc1ccc2cc(CO)ccc2c1 Amb25805513 [1,1,0,0,0,0|0,0,2]=4 4051 B14R2.2332 O=CC1=Cc2ccc(O)cc2OC1 Amb1109927 [1,1,0,0,0,0|1,0,1]=4 4052 B14R2.2332 O=Cc1cc2ccc(Cl)cc2cn1 Amb23401582 [1,1,0,0,0,0|1,0,0]=3 4053 B14R2.2332 O=Cc1cc2ccc(O)cc2cn1 Amb27946008 [1,1,0,0,0,0|1,0,0]=3 4054 B14R2.2332 O=Cc1ccc2c(c1)C=CC(=O)N2 Amb18127021 [1,1,0,0,0,0|1,0,0]=3 4055 B14R2.2332 O=Cc1ccc2c(c1)C=CC(=O)O2 Amb18127149 [1,1,0,0,0,0|1,0,0]=3 4056 B14R2.2332 O=Cc1ccc2cc(Br)ccc2c1 Amb20247818 [1,1,0,0,0,0|0,0,0]=2 4057 B14R2.2332 O=Cc1ccc2cc(Br)ccc2n1 Amb3931336 [1,1,0,0,0,0|1,0,0]=3 4058 B14R2.2332 O=Cc1ccc2cc(Br)cnc2c1 Amb19516206 [1,1,0,0,0,0|1,0,0]=3 4059 B14R2.2332 O=Cc1ccc2cc(Br)cnc2n1 Amb32642123 [1,1,0,0,0,0|2,0,0]=4 4060 B14R2.2332 O=Cc1ccc2cc(Cl)ccc2n1 Amb3931356 [1,1,0,0,0,0|1,0,0]=3 4061 B14R2.2332 O=Cc1ccc2cc(Cl)cnc2n1 Amb32642162 [1,1,0,0,0,0|2,0,0]=4 4062 B14R2.2332 O=Cc1ccc2cc(Cl)ncc2c1 Amb22735848 [1,1,0,0,0,0|1,0,0]=3 4063 B14R2.2332 O=Cc1ccc2cc(F)ccc2c1 Amb25367222 [1,1,0,0,0,0|0,0,0]=2 4064 B14R2.2332 O=Cc1ccc2cc(F)ccc2n1 Amb3931388 [1,1,0,0,0,0|1,0,0]=3 4065 B14R2.2332 O=Cc1ccc2cc(I)ccc2n1 Amb3931335 [1,1,0,0,0,0|1,0,0]=3 4066 B14R2.2332 O=Cc1ccc2cc(I)cnc2n1 Amb32642154 [1,1,0,0,0,0|2,0,0]=4 4067 B14R2.2332 O=Cc1ccc2cc(O)ccc2c1 Amb6384122 [1,1,0,0,0,0|0,0,0]=2 4068 B14R2.2332 O=Cc1ccc2cc(O)ccc2n1 Amb27483127 [1,1,0,0,0,0|1,0,0]=3 4069 B14R2.2332 O=Cc1ccc2cc(O)cnc2c1 Amb28365866 [1,1,0,0,0,0|1,0,0]=3 4070 B14R2.2332 O=Cc1ccc2nc(Cl)ccc2c1 Amb22263018 [1,1,0,0,0,0|1,0,0]=3 4071 B14R2.2332 O=Cc1cnc2cc(Br)ccc2c1 Amb18734915 [1,1,0,0,0,0|1,0,0]=3 4072 B14R2.2332 O=Cc1cnc2cc(Cl)ccc2c1 Amb18190721 [1,1,0,0,0,0|1,0,0]=3 4073 B14R2.2332 O=Cc1cnc2cc(F)ccc2c1 Amb18197491 [1,1,0,0,0,0|1,0,0]=3 4074 B14R2.2332 O=Cc1cnc2cc(F)ccc2n1 Amb24738528 [1,1,0,0,0,0|2,0,0]=4 4075 B14R2.2332 O=Cc1cnc2cc(O)ccc2c1 Amb8472716 [1,1,0,0,0,0|1,0,0]=3 4076 B14R2.2332 O=Nc1ccc2c(c1)C=CC(=O)O2 Amb22349744 [1,1,0,0,0,0|2,0,0]=4 4077 B14R2.2332 OCc1ccc2cc(Br)ccc2c1 Amb20620533 [1,1,0,0,0,0|0,0,2]=4 4078 B14R2.2332 OCc1ccc2cc(Cl)ccc2c1 Amb25288600 [1,1,0,0,0,0|0,0,2]=4 4079 B14R2.2332 OCc1ccc2cc(F)ccc2c1 Amb28243209 [1,1,0,0,0,0|0,0,2]=4 4080 B14R2.2332 OCc1ccc2cc(I)ccc2c1 Amb24520867 [1,1,0,0,0,0|0,0,2]=4 4081 B14R2.2332 Oc1ccc2cc(CBr)ccc2c1 Amb24724308 [1,1,0,0,0,0|1,0,1]=4 4082 B14R2.2332 Oc1ccc2cc(CCl)ccc2c1 Amb24536635 [1,1,0,0,0,0|1,0,1]=4 4083 B14R2.95 C#CC(=O)c1coc2ccccc12 Amb27471604 [0,1,0,0,1,0|1,0,1]=4 4084 B14R2.95 C#CC(=O)c1csc2ccccc12 Amb27447124 [0,1,0,0,1,0|1,0,1]=4 4085 B14R2.95 C=C(CBr)c1csc2ccccc12 Amb33477942 [0,1,0,0,1,0|2,0,0]=4 4086 B14R2.95 C=C(CCl)c1csc2ccccc12 Amb33258714 [0,1,0,0,1,0|2,0,0]=4 4087 B14R2.95 C=C(CN)c1csc2ccccc12 Amb33312682 [0,1,0,0,1,0|2,0,0]=4 4088 B14R2.95 C=CC(=O)c1coc2ccccc12 Amb25842127 [0,1,0,0,1,0|1,0,1]=4 4089 B14R2.95 C=CC(=O)c1csc2ccccc12 Amb25825739 [0,1,0,0,1,0|1,0,1]=4 4090 B14R2.95 CC(C=O)c1csc2ccccc12 Amb24492430 [0,1,0,0,1,0|1,0,1]=4 4091 B14R2.95 CC(C=O)n1ccc2ccccc21 Amb30020649 [0,1,0,0,1,0|1,0,1]=4 4092 B14R2.95 CCC(=O)c1coc2ccccc12 Amb25086526 [0,1,0,0,1,0|1,0,0]=3 4093 B14R2.95 CCC(=O)c1csc2ccccc12 Amb9212755 [0,1,0,0,1,0|1,0,0]=3 4094 B14R2.95 CCC(=O)c1ncc2ccccn12 Amb27448758 [0,1,0,0,1,0|2,0,0]=4 4095 B14R2.95 CCC(=O)c1ncn2ccccc12 Amb25079202 [0,1,0,0,1,0|2,0,0]=4 4096 B14R2.95 CCC(=O)n1cnc2ccccc21 Amb1205539 [0,1,0,0,1,0|2,0,0]=4 4097 B14R2.95 CNC(=O)c1csc2ccccc12 Amb8337784 [0,1,0,0,1,0|1,0,0]=3 4098 B14R2.95 CNC(=O)c1noc2ccccc12 Amb27614300 [0,1,0,0,1,0|2,0,0]=4 4099 B14R2.95 CNC(=O)c1nsc2ccccc12 Amb27446673 [0,1,0,0,1,0|2,0,0]=4 4100 B14R2.95 CNC(=O)c1snc2ccccc12 Amb27654260 [0,1,0,0,1,0|2,0,0]=4 4101 B14R2.95 CNC(=O)n1cnc2ccccc21 Amb24310272 [0,1,0,0,1,0|2,0,0]=4 4102 B14R2.95 CNC(=S)c1ccc2ccccn12 Amb27606460 [0,1,0,0,1,0|1,1,0]=4 4103 B14R2.95 COC(=N)c1csc2ccccc12 Amb19073373 [0,1,0,0,1,0|2,0,0]=4 4104 B14R2.95 COC(=N)c1occ2ccccc12 Amb27490928 [0,1,0,0,1,0|2,0,0]=4 4105 B14R2.95 COC(=O)C1=CCc2ccccc21 Amb2691225 [0,1,0,0,1,0|0,0,1]=3 4106 B14R2.95 COC(=O)C1C=Cc2ccncc21 Amb27165289 [0,1,0,0,1,0|1,0,1]=4 4107 B14R2.95 COC(=O)c1ccn2ccccc12 Amb20241327 [0,1,0,0,1,0|1,0,0]=3 4108 B14R2.95 COC(=O)c1cnn2ccccc12 Amb10067849 [0,1,0,0,1,0|2,0,0]=4 4109 B14R2.95 COC(=O)c1coc2ccccc12 Amb22269388 [0,1,0,0,1,0|1,0,0]=3 4110 B14R2.95 COC(=O)c1coc2cccnc12 Amb25972263 [0,1,0,0,1,0|2,0,0]=4 4111 B14R2.95 COC(=O)c1coc2ccncc12 Amb26845446 [0,1,0,0,1,0|2,0,0]=4 4112 B14R2.95 COC(=O)c1coc2cnccc12 Amb25714999 [0,1,0,0,1,0|2,0,0]=4 4113 B14R2.95 COC(=O)c1coc2ncccc12 Amb28383191 [0,1,0,0,1,0|2,0,0]=4 4114 B14R2.95 COC(=O)c1csc2ccccc12 Amb18330285 [0,1,0,0,1,0|1,0,0]=3 4115 B14R2.95 COC(=O)c1csc2cccnc12 Amb8383327 [0,1,0,0,1,0|2,0,0]=4 4116 B14R2.95 COC(=O)c1csc2cnccc12 Amb24066969 [0,1,0,0,1,0|2,0,0]=4 4117 B14R2.95 COC(=O)c1ncc2ccccn12 Amb27172268 [0,1,0,0,1,0|2,0,0]=4 4118 B14R2.95 COC(=O)c1ncn2ccccc12 Amb26647760 [0,1,0,0,1,0|2,0,0]=4 4119 B14R2.95 COC(=O)c1noc2ccccc12 Amb23437527 [0,1,0,0,1,0|2,0,0]=4 4120 B14R2.95 COC(=O)c1snc2ccccc12 Amb27851664 [0,1,0,0,1,0|2,0,0]=4 4121 B14R2.95 COS(=O)c1csc2ccccc12 Amb28198930 [0,1,0,0,1,0|2,0,0]=4 4122 B14R2.95 NCC(=O)c1cnc2ccccn12 Amb18197354 [0,1,0,0,1,0|2,0,0]=4 4123 B14R2.95 NCC(=O)c1cnn2ccccc12 Amb26506952 [0,1,0,0,1,0|2,0,0]=4 4124 B14R2.95 NCC(=O)c1coc2ccccc12 Amb18197463 [0,1,0,0,1,0|1,0,0]=3 4125 B14R2.95 NCC(=O)c1csc2ccccc12 Amb18910163 [0,1,0,0,1,0|1,0,0]=3 4126 B14R2.95 NCC(=O)c1ncn2ccccc12 Amb27954659 [0,1,0,0,1,0|2,0,0]=4 4127 B14R2.95 NCC(=O)n1ccc2ccccc21 Amb28385549 [0,1,0,0,1,0|1,0,0]=3 4128 B14R2.95 NCC(=O)n1cnc2ccccc21 Amb24368908 [0,1,0,0,1,0|2,0,0]=4 4129 B14R2.95 NNC(=O)C1=CCc2ccccc21 Amb27867874 [0,1,0,0,1,0|1,0,1]=4 4130 B14R2.95 NNC(=O)c1ccc2ccccn12 Amb27670057 [0,1,0,0,1,0|2,0,0]=4 4131 B14R2.95 NNC(=O)c1csc2ccccc12 Amb6497059 [0,1,0,0,1,0|2,0,0]=4 4132 B14R2.95 NNC(=O)c1occ2ccccc12 Amb27202749 [0,1,0,0,1,0|2,0,0]=4 4133 B14R2.95 O=C(CBr)c1cnc2ccccn12 Amb26014999 [0,1,0,0,1,0|2,0,0]=4 4134 B14R2.95 O=C(CBr)c1cnc2ccccn12 Amb33328786 [0,1,0,0,1,0|2,0,0]=4 4135 B14R2.95 O=C(CBr)c1coc2ccccc12 Amb2723422 [0,1,0,0,1,0|1,0,0]=3 4136 B14R2.95 O=C(CBr)c1csc2ccccc12 Amb2723181 [0,1,0,0,1,0|1,0,0]=3 4137 B14R2.95 O=C(CCl)c1cnc2ccccn12 Amb24104236 [0,1,0,0,1,0|2,0,0]=4 4138 B14R2.95 O=C(CCl)c1cnn2ccccc12 Amb27608106 [0,1,0,0,1,0|2,0,0]=4 4139 B14R2.95 O=C(CCl)c1coc2ccccc12 Amb25362239 [0,1,0,0,1,0|1,0,0]=3 4140 B14R2.95 O=C(CCl)c1csc2ccccc12 Amb33532135 [0,1,0,0,1,0|1,0,0]=3 4141 B14R2.95 O=C(CCl)c1ncn2ccccc12 Amb24346683 [0,1,0,0,1,0|2,0,0]=4 4142 B14R2.95 O=C(CCl)n1ccc2ccccc21 Amb25257982 [0,1,0,0,1,0|1,0,0]=3 4143 B14R2.95 O=C(CCl)n1ccc2cccnc21 Amb24739664 [0,1,0,0,1,0|2,0,0]=4 4144 B14R2.95 O=C(CCl)n1cnc2ccccc21 Amb17750131 [0,1,0,0,1,0|2,0,0]=4 4145 B14R2.95 O=C(CCl)n1ncc2ccccc21 Amb27252920 [0,1,0,0,1,0|2,0,0]=4 4146 B14R2.95 O=C(CO)c1coc2ccccc12 Amb18808835 [0,1,0,0,1,0|1,0,0]=3 4147 B14R2.95 O=C(CO)c1csc2ccccc12 Amb28139796 [0,1,0,0,1,0|1,0,0]=3 4148 B14R2.95 O=C(CO)c1occ2ccccc12 Amb27603862 [0,1,0,0,1,0|1,0,0]=3 4149 B14R2.95 O=CC(=O)C1C=Cc2ccccc21 Amb27842130 [0,1,0,0,1,0|0,0,2]=4 4150 B14R2.95 O=CC(=O)c1coc2ccccc12 Amb27445832 [0,1,0,0,1,0|1,0,1]=4 4151 B14R2.300 CC(=O)c1cnc2cc(C)ccn12 Amb18197682 [0,1,0,0,1,0|2,0,0]=4 4152 B14R2.300 CC(=O)c1csc2cc(Br)ccc12 Amb26348047 [0,1,0,0,1,0|1,0,0]=3 4153 B14R2.300 CC(=O)c1csc2cc(Cl)ccc12 Amb28428642 [0,1,0,0,1,0|1,0,0]=3 4154 B14R2.300 CC(=O)c1ncc2cc(F)ccn12 Amb28129886 [0,1,0,0,1,0|2,0,0]=4 4155 B14R2.300 CC(=O)n1ccc2cc(Br)ccc21 Amb16231022 [0,1,0,0,1,0|1,0,0]=3 4156 B14R2.300 CC(=O)n1ccc2cc(Cl)ccc21 Amb26612765 [0,1,0,0,1,0|1,0,0]=3 4157 B14R2.300 CC(=O)n1ccc2cc(F)ccc21 Amb26919154 [0,1,0,0,1,0|1,0,0]=3 4158 B14R2.300 CC(=O)n1ccc2cc(I)ccc21 Amb26965860 [0,1,0,0,1,0|1,0,0]=3 4159 B14R2.300 CC(=O)n1ccc2cc(N)ccc21 Amb17594405 [0,1,0,0,1,0|1,0,0]=3 4160 B14R2.300 CC(=O)n1ccc2cc(O)cnc21 Amb13885288 [0,1,0,0,1,0|2,0,0]=4 4161 B14R2.300 CC(=O)n1cnc2cc(Br)ccc21 Amb27873076 [0,1,0,0,1,0|2,0,0]=4 4162 B14R2.300 CC(=O)n1cnc2cc(C)ccc21 Amb25689395 [0,1,0,0,1,0|2,0,0]=4 4163 B14R2.300 CC(=O)n1cnc2cc(Cl)ccc21 Amb28365885 [0,1,0,0,1,0|2,0,0]=4 4164 B14R2.300 CC(=O)n1ncc2cc(Br)ccc21 Amb28398096 [0,1,0,0,1,0|2,0,0]=4 4165 B14R2.300 CC(=O)n1ncc2cc(C)ccc21 Amb25761213 [0,1,0,0,1,0|2,0,0]=4 4166 B14R2.300 CC(=O)n1ncc2cc(Cl)ccc21 Amb19958209 [0,1,0,0,1,0|2,0,0]=4 4167 B14R2.300 CC(=O)n1ncc2cc(O)ccc21 Amb24183803 [0,1,0,0,1,0|2,0,0]=4 4168 B14R2.300 Cc1ccc2c(C(=O)Cl)csc2c1 Amb16230133 [0,1,0,0,1,0|2,0,0]=4 4169 B14R2.300 Cc1ccc2c(C(=O)O)coc2c1 Amb33166905 [0,1,0,0,1,0|2,0,0]=4 4170 B14R2.300 Cc1ccc2c(C(=O)O)csc2c1 Amb9173163 [0,1,0,0,1,0|2,0,0]=4 4171 B14R2.300 Cc1ccc2c(c1)C=CC2C(=O)O Amb17470500 [0,1,0,0,1,0|1,0,1]=4 4172 B14R2.300 NC(=O)c1coc2cc(Br)ccc12 Amb27959142 [0,1,0,0,1,0|2,0,0]=4 4173 B14R2.300 NC(=O)c1coc2cc(F)ccc12 Amb25762740 [0,1,0,0,1,0|2,0,0]=4 4174 B14R2.300 NC(=O)c1csc2cc(N)ccc12 Amb28367658 [0,1,0,0,1,0|2,0,0]=4 4175 B14R2.300 NC(=O)n1ccc2cc(Br)ccc21 Amb27428953 [0,1,0,0,1,0|2,0,0]=4 4176 B14R2.300 O=C(O)C1C=Cc2cc(Cl)ccc21 Amb17470893 [0,1,0,0,1,0|1,0,1]=4 4177 B14R2.300 O=C(O)C1C=Cc2cc(F)ccc21 Amb17470578 [0,1,0,0,1,0|1,0,1]=4 4178 B14R2.300 O=C(O)c1coc2cc(Br)ccc12 Amb27156985 [0,1,0,0,1,0|2,0,0]=4 4179 B14R2.300 O=C(O)c1coc2cc(F)ccc12 Amb25341241 [0,1,0,0,1,0|2,0,0]=4 4180 B14R2.300 O=C(O)c1coc2cc(O)ccc12 Amb18128042 [0,1,0,0,1,0|2,0,0]=4 4181 B14R2.300 O=C(O)c1csc2cc(Cl)ccc12 Amb26631722 [0,1,0,0,1,0|2,0,0]=4 4182 B14R2.300 O=C(O)c1csc2cc(F)ccc12 Amb28126541 [0,1,0,0,1,0|2,0,0]=4 4183 B14R2.300 O=C(O)c1csc2cc(O)ccc12 Amb24726269 [0,1,0,0,1,0|2,0,0]=4 4184 B14R2.642 C=C(C)c1c(C)sc2ccccc12 Amb27209937 [0,1,0,0,1,0|2,0,0]=4 4185 B14R2.642 CC(=O)C1=C(O)Cc2ccccc21 Amb27434251 [0,1,0,0,1,0|0,0,1]=3 4186 B14R2.642 CC(=O)C1C(=O)Nc2ccccc21 Amb26846988 [0,1,0,0,1,0|1,0,1]=4 4187 B14R2.642 CC(=O)N1C(=O)Cc2ccccc21 Amb2611382 [0,1,0,0,1,0|1,0,1]=4 4188 B14R2.642 CC(=O)N1C(=S)Nc2ccccc21 Amb19200856 [0,1,0,0,1,0|2,0,0]=4 4189 B14R2.642 CC(=O)c1c(Br)nc2ccccn12 Amb18157656 [0,1,0,0,1,0|2,0,0]=4 4190 B14R2.642 CC(=O)c1c(C)cc2ccccn12 Amb18198023 [0,1,0,0,1,0|1,0,0]=3 4191 B14R2.642 CC(=O)c1c(C)nc2ccccn12 Amb2416476 [0,1,0,0,1,0|2,0,0]=4 4192 B14R2.642 CC(=O)c1c(C)oc2ccccc12 Amb25924076 [0,1,0,0,1,0|1,0,0]=3 4193 B14R2.642 CC(=O)c1c(C)sc2ccccc12 Amb10607613 [0,1,0,0,1,0|1,0,0]=3 4194 B14R2.642 CC(=O)c1c(Cl)nc2ccccn12 Amb18189655 [0,1,0,0,1,0|2,0,0]=4 4195 B14R2.642 CC(=O)c1c(N)sc2ccccc12 Amb27802892 [0,1,0,0,1,0|1,0,0]=3 4196 B14R2.642 CC(=O)c1c(O)cc2ccccn12 Amb18197446 [0,1,0,0,1,0|1,0,0]=3 4197 B14R2.642 CC(=O)c1c(O)nc2ccccn12 Amb1330745 [0,1,0,0,1,0|2,0,0]=4 4198 B14R2.642 CC(=O)c1c(O)nn2ccccc12 Amb24625385 [0,1,0,0,1,0|2,0,0]=4 4199 B14R2.642 CC(=O)c1c(O)oc2ccccc12 Amb27860279 [0,1,0,0,1,0|1,0,0]=3 4200 B14R2.642 CC(=O)c1c(O)sc2ccccc12 Amb27789031 [0,1,0,0,1,0|1,0,0]=3 4201 B14R2.642 CC(=O)c1c2ccccc2nn1C Amb25158432 [0,1,0,0,1,0|2,0,0]=4 4202 B14R2.642 CC(=O)n1c(Br)nc2ccccc21 Amb27947295 [0,1,0,0,1,0|2,0,0]=4 4203 B14R2.642 CC(=O)n1c(Cl)nc2ccccc21 Amb10601218 [0,1,0,0,1,0|2,0,0]=4 4204 B14R2.642 CC(=O)n1c(N)nc2ccccc21 Amb24063933 [0,1,0,0,1,0|2,0,0]=4 4205 B14R2.642 CC(=O)n1c(N)nc2ccccc21 Amb2502860 [0,1,0,0,1,0|2,0,0]=4 4206 B14R2.642 CC(=O)n1c(O)nc2ccccc21 Amb19650980 [0,1,0,0,1,0|2,0,0]=4 4207 B14R2.642 CC(=S)c1c(C)cc2ccccn12 Amb2644384 [0,1,0,0,1,0|1,1,0]=4 4208 B14R2.642 CC(C)=C1C(=O)Cc2ccccc21 Amb27861315 [0,1,0,0,1,0|1,0,1]=4 4209 B14R2.642 CC(C)=C1C(=O)Nc2ccccc21 Amb18114948 [0,1,0,0,1,0|2,0,0]=4 4210 B14R2.642 CC1=Cc2ccccc2C1C(=O)O Amb27831343 [0,1,0,0,1,0|1,0,1]=4 4211 B14R2.642 C\C(O)=C1\C(=O)Nc2ccccc21 Amb25200001 [0,1,0,0,1,0|1,0,1]=4 4212 B14R2.642 Cc1cc2ccccn2c1C(=O)O Amb18197447 [0,1,0,0,1,0|2,0,0]=4 4213 B14R2.642 Cc1oc2ccccc2c1C(=O)Cl Amb27812282 [0,1,0,0,1,0|2,0,0]=4 4214 B14R2.642 Cc1oc2ccccc2c1C(=O)O Amb4103918 [0,1,0,0,1,0|2,0,0]=4 4215 B14R2.642 Cc1oc2ccccc2c1C(N)=O Amb27482900 [0,1,0,0,1,0|2,0,0]=4 4216 B14R2.642 Cc1sc2ccccc2c1C(=O)Cl Amb27665219 [0,1,0,0,1,0|2,0,0]=4 4217 B14R2.642 Cc1sc2ccccc2c1C(=O)O Amb27949174 [0,1,0,0,1,0|2,0,0]=4 4218 B14R2.642 NC(=O)C1=C(N)Cc2ccccc21 Amb26851168 [0,1,0,0,1,0|1,0,1]=4 4219 B14R2.642 Nc1cn2ccccc2c1C(=O)O Amb23440782 [0,1,0,0,1,0|2,0,0]=4 4220 B14R2.642 O=C(O)c1c(Br)cc2ccccn12 Amb18731616 [0,1,0,0,1,0|2,0,0]=4 4221 B14R2.642 O=C(O)c1c(Br)cn2ccccc12 Amb18731617 [0,1,0,0,1,0|2,0,0]=4 4222 B14R2.642 O=C(O)c1c(Br)oc2ccccc12 Amb27412380 [0,1,0,0,1,0|2,0,0]=4 4223 B14R2.642 O=C(O)c1c(Br)sc2ccccc12 Amb27485893 [0,1,0,0,1,0|2,0,0]=4 4224 B14R2.642 O=C(O)c1c(Cl)oc2ccccc12 Amb27396100 [0,1,0,0,1,0|2,0,0]=4 4225 B14R2.642 O=C(O)c1c(O)cc2ccccn12 Amb18196437 [0,1,0,0,1,0|2,0,0]=4 4226 B14R2.642 O=C(O)c1c(S)sc2ccccc12 Amb27186871 [0,1,0,0,1,0|2,0,0]=4 4227 B14R2.5816 CC(=O)N1NC=C2C=CC(=N)C=C21 Amb27432981 [0,1,0,0,1,0|2,0,0]=4 4228 B14R2.5816 CC(=O)c1ccc2ccc(Br)cn12 Amb18158169 [0,1,0,0,1,0|1,0,0]=3 4229 B14R2.5816 CC(=O)c1ccc2ccc(N)cn12 Amb18197775 [0,1,0,0,1,0|1,0,0]=3 4230 B14R2.5816 CC(=O)c1cnc2ccc(Br)cn12 Amb18157659 [0,1,0,0,1,0|2,0,0]=4 4231 B14R2.5816 CC(=O)c1cnn2ccc(Br)cc12 Amb27610138 [0,1,0,0,1,0|2,0,0]=4 4232 B14R2.5816 CC(=O)c1coc2ccc(O)cc12 Amb3442023 [0,1,0,0,1,0|1,0,0]=3 4233 B14R2.5816 CC(=O)c1csc2ccc(Br)cc12 Amb2723536 [0,1,0,0,1,0|1,0,0]=3 4234 B14R2.5816 CC(=O)c1csc2ccc(C)cc12 Amb27186210 [0,1,0,0,1,0|1,0,0]=3 4235 B14R2.5816 CC(=O)c1csc2ccc(F)cc12 Amb22394887 [0,1,0,0,1,0|1,0,0]=3 4236 B14R2.5816 CC(=O)n1ccc2ccc(Br)cc21 Amb27802815 [0,1,0,0,1,0|1,0,0]=3 4237 B14R2.5816 CC(=O)n1ccc2ccc(Cl)cc21 Amb26329592 [0,1,0,0,1,0|1,0,0]=3 4238 B14R2.5816 CC(=O)n1ccc2ccc(F)cc21 Amb28286813 [0,1,0,0,1,0|1,0,0]=3 4239 B14R2.5816 CC(=O)n1ccc2ccc(I)cc21 Amb6308556 [0,1,0,0,1,0|1,0,0]=3 4240 B14R2.5816 CC(=O)n1ccc2ccc(N)cc21 Amb20620179 [0,1,0,0,1,0|1,0,0]=3 4241 B14R2.5816 CC(=O)n1ccc2ccc(O)cc21 Amb24743916 [0,1,0,0,1,0|1,0,0]=3 4242 B14R2.5816 CC(=O)n1ncc2ccc(Cl)cc21 Amb10071141 [0,1,0,0,1,0|2,0,0]=4 4243 B14R2.5816 CC(=O)n1ncc2ccc(I)cc21 Amb25777064 [0,1,0,0,1,0|2,0,0]=4 4244 B14R2.5816 Cc1ccc2c(c1)C(C(=O)O)=CC2 Amb17232995 [0,1,0,0,1,0|1,0,1]=4 4245 B14R2.5816 Cc1ccc2occ(C(=O)O)c2c1 Amb27179311 [0,1,0,0,1,0|2,0,0]=4 4246 B14R2.5816 Cc1ccc2scc(C(=O)O)c2c1 Amb18651227 [0,1,0,0,1,0|2,0,0]=4 4247 B14R2.5816 NC(=O)c1csc2ccc(N)cc12 Amb27227286 [0,1,0,0,1,0|2,0,0]=4 4248 B14R2.5816 Nc1ccc2scc(C(=O)O)c2c1 Amb27954255 [0,1,0,0,1,0|2,0,0]=4 4249 B14R2.5816 O=C(O)C1=CCc2ccc(Cl)cc21 Amb17236118 [0,1,0,0,1,0|1,0,1]=4 4250 B14R2.5816 O=C(O)C1=CCc2ccc(F)cc21 Amb17233386 [0,1,0,0,1,0|1,0,1]=4 4251 B14R2.5816 O=C(O)c1ccc2ccc(Br)cn12 Amb27481356 [0,1,0,0,1,0|2,0,0]=4 4252 B14R2.5816 O=C(O)c1ccn2ccc(Br)cc12 Amb27488350 [0,1,0,0,1,0|2,0,0]=4 4253 B14R2.5816 O=C(O)c1coc2ccc(Br)cc12 Amb33548670 [0,1,0,0,1,0|2,0,0]=4 4254 B14R2.5816 O=C(O)c1coc2ccc(Cl)cc12 Amb24355388 [0,1,0,0,1,0|2,0,0]=4 4255 B14R2.5816 O=C(O)c1coc2ccc(F)cc12 Amb33548200 [0,1,0,0,1,0|2,0,0]=4 4256 B14R2.5816 O=C(O)c1coc2ccc(O)cc12 Amb25114215 [0,1,0,0,1,0|2,0,0]=4 4257 B14R2.5816 O=C(O)c1csc2ccc(Br)cc12 Amb2723529 [0,1,0,0,1,0|2,0,0]=4 4258 B14R2.5816 O=C(O)c1csc2ccc(Cl)cc12 Amb2722991 [0,1,0,0,1,0|2,0,0]=4 4259 B14R2.5816 O=C(O)c1csc2ccc(F)cc12 Amb22370969 [0,1,0,0,1,0|2,0,0]=4 4260 B14R2.5816 O=C(O)c1csc2ccc(O)cc12 Amb22301495 [0,1,0,0,1,0|2,0,0]=4 4261 B14R2.8032 CC(=O)c1ccc2c(Br)cccn12 Amb18158172 [0,1,0,0,1,0|1,0,0]=3 4262 B14R2.8032 CC(=O)c1ccc2c(C)nccn12 Amb18197685 [0,1,0,0,1,0|2,0,0]=4 4263 B14R2.8032 CC(=O)c1ccc2c(N)cccn12 Amb18197776 [0,1,0,0,1,0|1,0,0]=3 4264 B14R2.8032 CC(=O)c1ccc2c(O)cccn12 Amb28243650 [0,1,0,0,1,0|1,0,0]=3 4265 B14R2.8032 CC(=O)c1cnc2c(N)cccn12 Amb18197302 [0,1,0,0,1,0|2,0,0]=4 4266 B14R2.8032 CC(=O)c1coc2c(C)cccc12 Amb28399449 [0,1,0,0,1,0|1,0,0]=3 4267 B14R2.8032 CC(=O)c1csc2c(Br)cccc12 Amb26417496 [0,1,0,0,1,0|1,0,0]=3 4268 B14R2.8032 CC(=O)c1csc2c(C)cccc12 Amb25941047 [0,1,0,0,1,0|1,0,0]=3 4269 B14R2.8032 CC(=O)c1csc2c(C)nccc12 Amb27481297 [0,1,0,0,1,0|2,0,0]=4 4270 B14R2.8032 CC(=O)c1csc2c(F)cccc12 Amb27638731 [0,1,0,0,1,0|1,0,0]=3 4271 B14R2.8032 CC(=O)c1ncc2c(F)cccn12 Amb27782098 [0,1,0,0,1,0|2,0,0]=4 4272 B14R2.8032 CC(=O)n1ccc2c(Br)ccnc21 Amb6308304 [0,1,0,0,1,0|2,0,0]=4 4273 B14R2.8032 CC(=O)n1ccc2c(Cl)cccc21 Amb24494125 [0,1,0,0,1,0|1,0,0]=3 4274 B14R2.8032 CC(=O)n1ccc2c(I)ccnc21 Amb6308505 [0,1,0,0,1,0|2,0,0]=4 4275 B14R2.8032 CC(=O)n1ccc2c(O)cccc21 Amb27642964 [0,1,0,0,1,0|1,0,0]=3 4276 B14R2.8032 CC(=O)n1ccc2c1C=CNC2=O Amb27624397 [0,1,0,0,1,0|2,0,0]=4 4277 B14R2.8032 CC(=O)n1ncc2c(Br)cccc21 Amb17739829 [0,1,0,0,1,0|2,0,0]=4 4278 B14R2.8032 CC(=O)n1ncc2c(Cl)cccc21 Amb10071140 [0,1,0,0,1,0|2,0,0]=4 4279 B14R2.8032 Cc1cccc2c(C(=O)O)coc12 Amb17836120 [0,1,0,0,1,0|2,0,0]=4 4280 B14R2.8032 Cc1cccc2c(C(=O)O)csc12 Amb27607727 [0,1,0,0,1,0|2,0,0]=4 4281 B14R2.8032 Cc1cccc2c(C(N)=O)csc12 Amb27947524 [0,1,0,0,1,0|2,0,0]=4 4282 B14R2.8032 Cc1cccc2c1CC=C2C(=O)O Amb17232996 [0,1,0,0,1,0|1,0,1]=4 4283 B14R2.8032 Nc1cccc2c(C(=O)O)csc12 Amb32708795 [0,1,0,0,1,0|2,0,0]=4 4284 B14R2.8032 O=C(O)C1=CCc2c(Cl)cccc21 Amb17236119 [0,1,0,0,1,0|1,0,1]=4 4285 B14R2.8032 O=C(O)C1=CCc2c(F)cccc21 Amb17233387 [0,1,0,0,1,0|1,0,1]=4 4286 B14R2.8032 O=C(O)c1coc2c(Br)cccc12 Amb33548737 [0,1,0,0,1,0|2,0,0]=4 4287 B14R2.8032 O=C(O)c1coc2c(Cl)cccc12 Amb28119790 [0,1,0,0,1,0|2,0,0]=4 4288 B14R2.8032 O=C(O)c1coc2c(F)cccc12 Amb33548734 [0,1,0,0,1,0|2,0,0]=4 4289 B14R2.8032 O=C(O)c1csc2c(Br)cccc12 Amb25743683 [0,1,0,0,1,0|2,0,0]=4 4290 B14R2.8032 O=C(O)c1csc2c(Cl)cccc12 Amb26878074 [0,1,0,0,1,0|2,0,0]=4 4291 B14R2.8032 O=C(O)c1csc2c(F)cccc12 Amb25285198 [0,1,0,0,1,0|2,0,0]=4 4292 B14R2.8053 CC(=O)c1ccc2cccc(C)n12 Amb18198022 [0,1,0,0,1,0|1,0,0]=3 4293 B14R2.8053 CC(=O)c1coc2cccc(Cl)c12 Amb27945990 [0,1,0,0,1,0|1,0,0]=3 4294 B14R2.8053 CC(=O)n1ccc2cccc(C)c21 Amb28250018 [0,1,0,0,1,0|1,0,0]=3 4295 B14R2.8053 CC(=O)n1ccc2cccc(Cl)c21 Amb27148767 [0,1,0,0,1,0|1,0,0]=3 4296 B14R2.8053 CC(=O)n1ncc2cccc(C)c21 Amb27670114 [0,1,0,0,1,0|2,0,0]=4 4297 B14R2.8053 Cc1cccc2c1C(C(=O)O)C=C2 Amb17470501 [0,1,0,0,1,0|1,0,1]=4 4298 B14R2.8053 Cc1cccc2occ(C(=O)O)c12 Amb24440829 [0,1,0,0,1,0|2,0,0]=4 4299 B14R2.8053 Cc1cccc2scc(C(=O)O)c12 Amb27179209 [0,1,0,0,1,0|2,0,0]=4 4300 B14R2.8053 O=C(O)C1C=Cc2cccc(Cl)c21 Amb17470894 [0,1,0,0,1,0|1,0,1]=4 4301 B14R2.8053 O=C(O)C1C=Cc2cccc(F)c21 Amb17470579 [0,1,0,0,1,0|1,0,1]=4 4302 B14R2.8053 O=C(O)c1coc2cccc(Br)c12 Amb25180271 [0,1,0,0,1,0|2,0,0]=4 4303 B14R2.8053 O=C(O)c1coc2cccc(Cl)c12 Amb24718334 [0,1,0,0,1,0|2,0,0]=4 4304 B14R2.8053 O=C(O)c1coc2cccc(F)c12 Amb28205434 [0,1,0,0,1,0|2,0,0]=4 4305 B14R2.8053 O=C(O)c1coc2cccc(O)c12 Amb5751226 [0,1,0,0,1,0|2,0,0]=4 4306 B14R2.8053 O=C(O)c1csc2cccc(F)c12 Amb26391169 [0,1,0,0,1,0|2,0,0]=4 4307 B14R2.8053 O=C(O)c1csc2cccc(O)c12 Amb32708794 [0,1,0,0,1,0|2,0,0]=4 4308 B14R2.9535 CC(=O)C1(C)C=Cc2ccccc21 Amb28202251 [0,1,0,0,1,0|0,0,1]=3 4309 B14R2.25733 C=C(C)n1cc(C)c2ccccc21 Amb27209380 [0,1,0,0,1,0|2,0,0]=4 4310 B14R2.25733 CC(=O)N1CC(=O)c2ccccc21 Amb533887 [0,1,0,0,1,0|1,0,1]=4 4311 B14R2.25733 CC(=O)c1cc(C)n2ccccc12 Amb27954045 [0,1,0,0,1,0|1,0,0]=3 4312 B14R2.25733 CC(=O)c1cn(C)c2ccccc12 Amb33528534 [0,1,0,0,1,0|1,0,0]=3 4313 B14R2.25733 CC(=O)c1cn(C)c2ncccc12 Amb24123095 [0,1,0,0,1,0|2,0,0]=4 4314 B14R2.25733 CC(=O)c1nc(C)c2ccccn12 Amb18825243 [0,1,0,0,1,0|2,0,0]=4 4315 B14R2.25733 CC(=O)c1nc(C)n2ccccc12 Amb26511509 [0,1,0,0,1,0|2,0,0]=4 4316 B14R2.25733 CC(=O)n1cc(Br)c2ccccc21 Amb17943393 [0,1,0,0,1,0|1,0,0]=3 4317 B14R2.25733 CC(=O)n1cc(Br)c2ncccc21 Amb27968230 [0,1,0,0,1,0|2,0,0]=4 4318 B14R2.25733 CC(=O)n1cc(C)c2ccccc21 Amb17778657 [0,1,0,0,1,0|1,0,0]=3 4319 B14R2.25733 CC(=O)n1cc(Cl)c2ccccc21 Amb27625618 [0,1,0,0,1,0|1,0,0]=3 4320 B14R2.25733 CC(=O)n1cc(O)c2ccccc21 Amb3445153 [0,1,0,0,1,0|1,0,0]=3 4321 B14R2.25733 CC(=O)n1cc(O)c2cccnc21 Amb28075645 [0,1,0,0,1,0|2,0,0]=4 4322 B14R2.25733 CC(=O)n1nc(Cl)c2ccccc21 Amb27636536 [0,1,0,0,1,0|2,0,0]=4 4323 B14R2.25733 CC(=O)n1oc(=O)c2ccccc21 Amb4111187 [0,1,0,0,1,0|2,0,0]=4 4324 B14R2.25733 CC1=CC(C(=O)O)c2ccccc21 Amb17778894 [0,1,0,0,1,0|1,0,1]=4 4325 B14R2.25733 CC1C=C(C(=O)O)c2ccccc21 Amb17232998 [0,1,0,0,1,0|1,0,1]=4 4326 B14R2.25733 C\C(O)=C1\OC(=O)c2ccccc21 Amb24712686 [0,1,0,0,1,0|1,0,1]=4 4327 B14R2.25733 Cc1cc(C(=O)O)n2ccccc12 Amb18149683 [0,1,0,0,1,0|2,0,0]=4 4328 B14R2.25733 Cn1cc(C(=O)Cl)c2ccccc21 Amb22751037 [0,1,0,0,1,0|2,0,0]=4 4329 B14R2.25733 Cn1cc(C(=O)O)c2ccccc21 Amb1215332 [0,1,0,0,1,0|2,0,0]=4 4330 B14R2.25733 Cn1cc(C(N)=O)c2ccccc21 Amb615381 [0,1,0,0,1,0|2,0,0]=4 4331 B14R2.25733 Nc1cc(C(=O)O)c2ccccn12 Amb18196958 [0,1,0,0,1,0|2,0,0]=4 4332 B14R2.25733 O=C(O)c1cc(Br)n2ccccc12 Amb27229185 [0,1,0,0,1,0|2,0,0]=4 4333 B14R2.25733 O=C(O)c1cn(O)c2ccccc12 Amb28343071 [0,1,0,0,1,0|2,0,0]=4 4334 B14R2.25733 O=C(O)c1sc(Cl)c2ccccc12 Amb27445798 [0,1,0,0,1,0|2,0,0]=4 4335 B14R2.601 CC(=O)C1=CC2=NC(=O)N=C2C=C1 Amb27792355 [0,1,0,0,1,0|2,0,0]=4 4336 B14R2.601 CC(=O)c1ccc2c(c1)CC(=O)C2 Amb17594384 [0,1,0,0,1,0|0,0,2]=4 4337 B14R2.601 CC(=O)c1ccc2c(c1)CC(=O)N2 Amb6244020 [0,1,0,0,1,0|1,0,1]=4 4338 B14R2.601 CC(=O)c1ccc2c(c1)NC(=O)C2 Amb24623704 [0,1,0,0,1,0|1,0,1]=4 4339 B14R2.601 CC(=O)c1ccc2c(c1)NC(=O)N2 Amb18185958 [0,1,0,0,1,0|2,0,0]=4 4340 B14R2.601 CC(=O)c1ccc2c(c1)NC(=O)O2 Amb18893610 [0,1,0,0,1,0|2,0,0]=4 4341 B14R2.601 CC(=O)c1ccc2c(c1)NC(=S)S2 Amb25104886 [0,1,0,0,1,0|2,0,0]=4 4342 B14R2.601 CC(=O)c1ccc2c(c1)OC(=O)N2 Amb18010597 [0,1,0,0,1,0|2,0,0]=4 4343 B14R2.601 CC(=O)c1ccc2cc(C)cn2c1 Amb28201069 [0,1,0,0,1,0|1,0,0]=3 4344 B14R2.601 CC(=O)c1ccc2cn(C)nc2c1 Amb10070471 [0,1,0,0,1,0|2,0,0]=4 4345 B14R2.601 CC(=O)c1ccc2nc(Br)oc2c1 Amb27851584 [0,1,0,0,1,0|2,0,0]=4 4346 B14R2.601 CC(=O)c1ccc2nc(Br)sc2c1 Amb23437124 [0,1,0,0,1,0|2,0,0]=4 4347 B14R2.601 CC(=O)c1ccc2nc(C)cn2c1 Amb32424227 [0,1,0,0,1,0|2,0,0]=4 4348 B14R2.601 CC(=O)c1ccc2nc(C)oc2c1 Amb18243606 [0,1,0,0,1,0|2,0,0]=4 4349 B14R2.601 CC(=O)c1ccc2nc(C)sc2c1 Amb23402194 [0,1,0,0,1,0|2,0,0]=4 4350 B14R2.601 CC(=O)c1ccc2nc(Cl)oc2c1 Amb25253686 [0,1,0,0,1,0|2,0,0]=4 4351 B14R2.601 CC(=O)c1ccc2nc(F)oc2c1 Amb25973160 [0,1,0,0,1,0|2,0,0]=4 4352 B14R2.601 CC(=O)c1ccc2nc(N)sc2c1 Amb3942324 [0,1,0,0,1,0|2,0,0]=4 4353 B14R2.601 CC(=O)c1ccc2nc(S)oc2c1 Amb25175892 [0,1,0,0,1,0|2,0,0]=4 4354 B14R2.601 CC(=O)c1ccc2nn(C)cc2c1 Amb10070470 [0,1,0,0,1,0|2,0,0]=4 4355 B14R2.601 CC(=O)c1ccc2oc(Br)nc2c1 Amb25820549 [0,1,0,0,1,0|2,0,0]=4 4356 B14R2.601 CC(=O)c1ccc2oc(C)nc2c1 Amb18065549 [0,1,0,0,1,0|2,0,0]=4 4357 B14R2.601 CC(=O)c1ccc2oc(Cl)nc2c1 Amb26567921 [0,1,0,0,1,0|2,0,0]=4 4358 B14R2.601 CC(=O)c1ccc2oc(F)nc2c1 Amb26965731 [0,1,0,0,1,0|2,0,0]=4 4359 B14R2.601 CC(=O)c1ccc2oc(I)nc2c1 Amb27246600 [0,1,0,0,1,0|2,0,0]=4 4360 B14R2.601 CC(=O)c1ccc2sc(C)nc2c1 Amb342477 [0,1,0,0,1,0|2,0,0]=4 4361 B14R2.601 CC(=O)c1ccc2sc(Cl)nc2c1 Amb25923381 [0,1,0,0,1,0|2,0,0]=4 4362 B14R2.601 CC(=O)c1ccc2sc(N)nc2c1 Amb24384156 [0,1,0,0,1,0|2,0,0]=4 4363 B14R2.601 Cc1cc2cc(C(=O)Cl)ccc2s1 Amb27631763 [0,1,0,0,1,0|2,0,0]=4 4364 B14R2.601 Cc1cc2cc(C(=O)O)ccc2o1 Amb1099008 [0,1,0,0,1,0|2,0,0]=4 4365 B14R2.601 Cc1cc2cc(C(N)=O)ccn2c1 Amb27179066 [0,1,0,0,1,0|2,0,0]=4 4366 B14R2.601 Cc1cc2ccc(C(=O)Cl)cn2c1 Amb10071444 [0,1,0,0,1,0|2,0,0]=4 4367 B14R2.601 Cc1cc2ccc(C(=O)O)cc2s1 Amb27659261 [0,1,0,0,1,0|2,0,0]=4 4368 B14R2.601 Cc1cc2ccc(C(=O)O)cn2c1 Amb10071425 [0,1,0,0,1,0|2,0,0]=4 4369 B14R2.601 Cn1cc2ccc(C(=O)O)cc2c1 Amb17480216 [0,1,0,0,1,0|2,0,0]=4 4370 B14R2.601 O=C(O)c1ccc2cc(Cl)sc2c1 Amb28323589 [0,1,0,0,1,0|2,0,0]=4 4371 B14R2.601 O=C(O)c1ccc2cc(O)sc2c1 Amb28051727 [0,1,0,0,1,0|2,0,0]=4 4372 B14R2.624 CC(=O)c1cc2ccoc2cc1O Amb18127563 [0,1,0,0,1,0|1,0,0]=3 4373 B14R2.624 CC(=O)c1cc2ncoc2cc1O Amb17319967 [0,1,0,0,1,0|2,0,0]=4 4374 B14R2.624 CC(=O)c1cc2occc2cc1O Amb25989318 [0,1,0,0,1,0|1,0,0]=3 4375 B14R2.624 CC(=O)c1cc2sccc2nc1C Amb28421944 [0,1,0,0,1,0|2,0,0]=4 4376 B14R2.624 CC(=O)c1cn2ccnc2cc1C Amb32424120 [0,1,0,0,1,0|2,0,0]=4 4377 B14R2.624 Cc1cc2ccoc2cc1C(=O)O Amb27966853 [0,1,0,0,1,0|2,0,0]=4 4378 B14R2.624 Cc1cc2ccsc2cc1C(=O)O Amb18129953 [0,1,0,0,1,0|2,0,0]=4 4379 B14R2.624 O=C(O)c1cc2ccoc2cc1F Amb31156374 [0,1,0,0,1,0|2,0,0]=4 4380 B14R2.624 O=C(O)c1cc2ccsc2cc1F Amb27179315 [0,1,0,0,1,0|2,0,0]=4 4381 B14R2.624 O=C(O)c1cc2occc2cc1F Amb24365902 [0,1,0,0,1,0|2,0,0]=4 4382 B14R2.624 O=C(O)c1cc2sccc2cc1O Amb28196458 [0,1,0,0,1,0|2,0,0]=4 4383 B14R2.966 C#CC(=O)c1ccc2sccc2c1 Amb27858496 [0,1,0,0,1,0|1,0,1]=4 4384 B14R2.966 C=C(CBr)c1ccc2occc2c1 Amb33432504 [0,1,0,0,1,0|2,0,0]=4 4385 B14R2.966 C=C(CN)c1ccc2occc2c1 Amb33344016 [0,1,0,0,1,0|2,0,0]=4 4386 B14R2.966 C=CC(=O)c1ccc2occc2c1 Amb33344394 [0,1,0,0,1,0|1,0,1]=4 4387 B14R2.966 CC(C=O)c1ccc2occc2c1 Amb33344770 [0,1,0,0,1,0|1,0,1]=4 4388 B14R2.966 CCC(=O)c1ccc2ncoc2c1 Amb18197452 [0,1,0,0,1,0|2,0,0]=4 4389 B14R2.966 CNC(=O)c1cc2sccc2cn1 Amb28051622 [0,1,0,0,1,0|2,0,0]=4 4390 B14R2.966 CNC(=O)c1ccc2nccn2c1 Amb27599028 [0,1,0,0,1,0|2,0,0]=4 4391 B14R2.966 CNC(=O)c1ccc2occc2c1 Amb28120039 [0,1,0,0,1,0|1,0,0]=3 4392 B14R2.966 CNC(=O)c1ccn2ccnc2c1 Amb27238526 [0,1,0,0,1,0|2,0,0]=4 4393 B14R2.966 COC(=O)c1cc2cccn2cn1 Amb24364775 [0,1,0,0,1,0|2,0,0]=4 4394 B14R2.966 COC(=O)c1cc2ccoc2cn1 Amb22898850 [0,1,0,0,1,0|2,0,0]=4 4395 B14R2.966 COC(=O)c1cc2cscc2cn1 Amb27649090 [0,1,0,0,1,0|2,0,0]=4 4396 B14R2.966 COC(=O)c1cc2sccc2cn1 Amb24394334 [0,1,0,0,1,0|2,0,0]=4 4397 B14R2.966 COC(=O)c1ccc2cccn2c1 Amb27436641 [0,1,0,0,1,0|1,0,0]=3 4398 B14R2.966 COC(=O)c1ccc2ccnn2c1 Amb27469919 [0,1,0,0,1,0|2,0,0]=4 4399 B14R2.966 COC(=O)c1ccc2ccoc2c1 Amb21964802 [0,1,0,0,1,0|1,0,0]=3 4400 B14R2.966 COC(=O)c1ccc2ccoc2n1 Amb33995083 [0,1,0,0,1,0|2,0,0]=4 4401 B14R2.966 COC(=O)c1ccc2cncn2c1 Amb21857577 [0,1,0,0,1,0|2,0,0]=4 4402 B14R2.966 COC(=O)c1ccc2cncn2c1 Amb33743818 [0,1,0,0,1,0|2,0,0]=4 4403 B14R2.966 COC(=O)c1ccc2csnc2c1 Amb27963177 [0,1,0,0,1,0|2,0,0]=4 4404 B14R2.966 COC(=O)c1ccc2nccn2c1 Amb10068295 [0,1,0,0,1,0|2,0,0]=4 4405 B14R2.966 COC(=O)c1ccc2nccn2c1 Amb6384176 [0,1,0,0,1,0|2,0,0]=4 4406 B14R2.966 COC(=O)c1ccc2ncoc2c1 Amb21857275 [0,1,0,0,1,0|2,0,0]=4 4407 B14R2.966 COC(=O)c1ccc2ncsc2c1 Amb21963755 [0,1,0,0,1,0|2,0,0]=4 4408 B14R2.966 COC(=O)c1ccc2nocc2c1 Amb26609732 [0,1,0,0,1,0|2,0,0]=4 4409 B14R2.966 COC(=O)c1ccc2nscc2c1 Amb27225939 [0,1,0,0,1,0|2,0,0]=4 4410 B14R2.966 COC(=O)c1ccc2occc2c1 Amb2797842 [0,1,0,0,1,0|1,0,0]=3 4411 B14R2.966 COC(=O)c1ccc2occc2n1 Amb26471002 [0,1,0,0,1,0|2,0,0]=4 4412 B14R2.966 COC(=O)c1ccc2ocnc2c1 Amb2608775 [0,1,0,0,1,0|2,0,0]=4 4413 B14R2.966 COC(=O)c1ccc2oncc2c1 Amb33716130 [0,1,0,0,1,0|2,0,0]=4 4414 B14R2.966 COC(=O)c1ccc2sccc2c1 Amb25121220 [0,1,0,0,1,0|1,0,0]=3 4415 B14R2.966 COC(=O)c1ccc2sccc2n1 Amb26304282 [0,1,0,0,1,0|2,0,0]=4 4416 B14R2.966 COC(=O)c1ccc2scnc2c1 Amb22234456 [0,1,0,0,1,0|2,0,0]=4 4417 B14R2.966 COC(=O)c1ccn2cccc2c1 Amb16232517 [0,1,0,0,1,0|1,0,0]=3 4418 B14R2.966 COC(=O)c1ccn2ccnc2c1 Amb13882862 [0,1,0,0,1,0|2,0,0]=4 4419 B14R2.966 COC(=O)c1ccn2cncc2c1 Amb21857579 [0,1,0,0,1,0|2,0,0]=4 4420 B14R2.966 COC(=O)c1ccn2nccc2c1 Amb24641422 [0,1,0,0,1,0|2,0,0]=4 4421 B14R2.966 COC(=O)c1cnc2ccoc2c1 Amb25211908 [0,1,0,0,1,0|2,0,0]=4 4422 B14R2.966 COC(=O)c1cnc2occc2c1 Amb24330969 [0,1,0,0,1,0|2,0,0]=4 4423 B14R2.966 COC(=O)c1cnc2sccc2c1 Amb27433490 [0,1,0,0,1,0|2,0,0]=4 4424 B14R2.966 NCC(=O)c1ccc2occc2c1 Amb18676626 [0,1,0,0,1,0|1,0,0]=3 4425 B14R2.966 NNC(=O)c1ccc2cccn2c1 Amb27875439 [0,1,0,0,1,0|2,0,0]=4 4426 B14R2.966 NNC(=O)c1ccc2occc2c1 Amb27169317 [0,1,0,0,1,0|2,0,0]=4 4427 B14R2.966 O=C(CBr)c1ccc2occc2c1 Amb2723110 [0,1,0,0,1,0|1,0,0]=3 4428 B14R2.966 O=C(CBr)c1ccc2sccc2c1 Amb2723380 [0,1,0,0,1,0|1,0,0]=3 4429 B14R2.966 O=C(CO)c1ccc2ncoc2c1 Amb25776931 [0,1,0,0,1,0|2,0,0]=4 4430 B14R2.966 O=C(NO)c1ccc2occc2c1 Amb27631577 [0,1,0,0,1,0|2,0,0]=4 4431 B14R2.966 O=C(NO)c1ccc2sccc2c1 Amb28204798 [0,1,0,0,1,0|2,0,0]=4 4432 B14R2.3125 CS(=O)(=O)c1ccc2sccc2c1 Amb27787709 [0,1,0,0,1,0|2,0,0]=4 4433 B14R2.5719 CC(=O)c1ccc2c(C)csc2c1 Amb22733805 [0,1,0,0,1,0|1,0,0]=3 4434 B14R2.5719 CC(=O)c1ccc2c(c1)CNC2=O Amb22495369 [0,1,0,0,1,0|1,0,1]=4 4435 B14R2.5719 CC(=O)c1ccc2c(c1)ncn2C Amb17109142 [0,1,0,0,1,0|2,0,0]=4 4436 B14R2.5719 CC(=O)c1ccc2c(ccn2C)c1 Amb17594352 [0,1,0,0,1,0|1,0,0]=3 4437 B14R2.5719 CC(=O)c1ccc2c(cnn2C)c1 Amb10070466 [0,1,0,0,1,0|2,0,0]=4 4438 B14R2.5719 CC(=O)c1ccn2c(Br)cnc2c1 Amb27488343 [0,1,0,0,1,0|2,0,0]=4 4439 B14R2.5719 Cc1csc2cc(C(=O)O)ccc12 Amb18129952 [0,1,0,0,1,0|2,0,0]=4 4440 B14R2.5719 Cn1ccc2cc(C(=O)Cl)ccc21 Amb27241247 [0,1,0,0,1,0|2,0,0]=4 4441 B14R2.5719 Cn1ccc2cc(C(=O)O)ccc21 Amb2723693 [0,1,0,0,1,0|2,0,0]=4 4442 B14R2.5719 Cn1ccc2cc(C(N)=O)ccc21 Amb23401680 [0,1,0,0,1,0|2,0,0]=4 4443 B14R2.5719 NC(=O)c1ccc2c(c1)C=CC2=O Amb28291546 [0,1,0,0,1,0|1,0,0]=3 4444 B14R2.5719 O=C(O)c1ccc2c(Cl)coc2c1 Amb27454176 [0,1,0,0,1,0|2,0,0]=4 4445 B14R2.5719 O=C(O)c1ccc2c(c1)C=NC2=O Amb22015165 [0,1,0,0,1,0|2,0,0]=4 4446 B14R2.5719 O=C1C=Cc2cc([N+](=O)[O-])ccc21 Amb27596038 [0,1,0,0,1,0|2,0,0]=4 4447 B14R2.5998 CC(=O)c1ccc2nccn2c1C Amb32424141 [0,1,0,0,1,0|2,0,0]=4 4448 B14R2.5998 CC(=O)c1ccc2occc2c1O Amb26520947 [0,1,0,0,1,0|1,0,0]=3 4449 B14R2.5998 CC(=O)c1cnc2occc2c1C Amb27851604 [0,1,0,0,1,0|2,0,0]=4 4450 B14R2.5998 CC(=O)c1cnc2sccc2c1O Amb18130012 [0,1,0,0,1,0|2,0,0]=4 4451 B14R2.5998 Cc1c(C(=O)O)ccc2ccsc12 Amb27447863 [0,1,0,0,1,0|2,0,0]=4 4452 B14R2.5998 Cc1c(C(=O)O)ccc2occc12 Amb27443223 [0,1,0,0,1,0|2,0,0]=4 4453 B14R2.5998 Cc1c(C(=O)O)ccc2sccc12 Amb22900933 [0,1,0,0,1,0|2,0,0]=4 4454 B14R2.5998 O=C(O)c1ccc2ccsc2c1O Amb24488905 [0,1,0,0,1,0|2,0,0]=4 4455 B14R2.5998 O=C(O)c1ccc2occc2c1O Amb18195743 [0,1,0,0,1,0|2,0,0]=4 4456 B14R2.5998 O=C(O)c1ccc2sccc2c1O Amb26585217 [0,1,0,0,1,0|2,0,0]=4 4457 B14R2.8824 CC(=O)c1cc(Br)c2ocnc2c1 Amb17305060 [0,1,0,0,1,0|2,0,0]=4 4458 B14R2.8824 CC(=O)c1cc(C)c2cncn2c1 Amb28316711 [0,1,0,0,1,0|2,0,0]=4 4459 B14R2.8824 CC(=O)c1cc(C)c2nccn2c1 Amb32424083 [0,1,0,0,1,0|2,0,0]=4 4460 B14R2.8824 CC(=O)c1cc(C)c2ocnc2c1 Amb17319978 [0,1,0,0,1,0|2,0,0]=4 4461 B14R2.8824 CC(=O)c1cc(Cl)c2ocnc2c1 Amb17319982 [0,1,0,0,1,0|2,0,0]=4 4462 B14R2.8824 CC(=O)c1cc(F)c2ocnc2c1 Amb17319981 [0,1,0,0,1,0|2,0,0]=4 4463 B14R2.8824 CC(=O)c1cc(N)c2ocnc2c1 Amb17304953 [0,1,0,0,1,0|2,0,0]=4 4464 B14R2.8824 NC(=O)c1cc(Cl)c2sccc2c1 Amb27648949 [0,1,0,0,1,0|2,0,0]=4 4465 B14R2.8824 NC(=O)c1cc(O)c2ccoc2c1 Amb27751500 [0,1,0,0,1,0|2,0,0]=4 4466 B14R2.8824 NC(=O)c1cc(O)c2sccc2c1 Amb28383398 [0,1,0,0,1,0|2,0,0]=4 4467 B14R2.8824 O=C(O)c1cc(Br)c2occc2c1 Amb28398170 [0,1,0,0,1,0|2,0,0]=4 4468 B14R2.8824 O=C(O)c1cc(Cl)c2ccsc2c1 Amb27246845 [0,1,0,0,1,0|2,0,0]=4 4469 B14R2.8824 O=C(O)c1cc(F)c2occc2c1 Amb27633566 [0,1,0,0,1,0|2,0,0]=4 4470 B14R2.8824 O=C(O)c1cc(O)c2ccoc2c1 Amb18128039 [0,1,0,0,1,0|2,0,0]=4 4471 B14R2.8824 O=C(O)c1cc(O)c2ccsc2c1 Amb18669674 [0,1,0,0,1,0|2,0,0]=4 4472 B14R2.8824 O=C(O)c1cc(O)c2sccc2c1 Amb23585427 [0,1,0,0,1,0|2,0,0]=4 4473 B14R2.24358 C=C(C)c1ccc2scc(C)c2c1 Amb27629080 [0,1,0,0,1,0|2,0,0]=4 4474 B14R2.24358 CC(=O)c1cc2c(Br)csc2cn1 Amb27200752 [0,1,0,0,1,0|2,0,0]=4 4475 B14R2.24358 CC(=O)c1ccc2c(c1)C(=O)CC2 Amb22494854 [0,1,0,0,1,0|0,0,2]=4 4476 B14R2.24358 CC(=O)c1ccc2c(c1)C(=O)CO2 Amb9783163 [0,1,0,0,1,0|1,0,1]=4 4477 B14R2.24358 CC(=O)c1ccc2c(c1)C(=O)CS2 Amb18817127 [0,1,0,0,1,0|1,0,1]=4 4478 B14R2.24358 CC(=O)c1ccc2c(c1)C(=O)NC2 Amb27267217 [0,1,0,0,1,0|1,0,1]=4 4479 B14R2.24358 CC(=O)c1ccc2ccn(C)c2c1 Amb18198041 [0,1,0,0,1,0|1,0,0]=3 4480 B14R2.24358 CC(=O)c1ccc2cnn(C)c2c1 Amb10070467 [0,1,0,0,1,0|2,0,0]=4 4481 B14R2.24358 CC(=O)c1cnc2scc(Br)c2c1 Amb27631542 [0,1,0,0,1,0|2,0,0]=4 4482 B14R2.24358 Cc1coc2ccc(C(=O)O)cc12 Amb24062161 [0,1,0,0,1,0|2,0,0]=4 4483 B14R2.24358 Cc1csc2ccc(C(=O)O)cc12 Amb2614626 [0,1,0,0,1,0|2,0,0]=4 4484 B14R2.24358 Cn1ccc2ccc(C(=O)O)cc21 Amb2723768 [0,1,0,0,1,0|2,0,0]=4 4485 B14R2.24358 Cn1ccc2ccc(C(N)=O)cc21 Amb23401682 [0,1,0,0,1,0|2,0,0]=4 4486 B14R2.24358 Nc1ccc2ccc(C(=O)O)cn12 Amb24714731 [0,1,0,0,1,0|2,0,0]=4 4487 B14R2.24358 Nc1csc2ccc(C(=O)O)cc12 Amb33306882 [0,1,0,0,1,0|2,0,0]=4 4488 B14R2.24358 O=C(O)c1ccc2occ(Br)c2c1 Amb24328700 [0,1,0,0,1,0|2,0,0]=4 4489 B14R2.24358 O=C(O)c1ccc2scc(Br)c2c1 Amb27263705 [0,1,0,0,1,0|2,0,0]=4 4490 B14R2.24358 O=C(O)c1ccc2scc(O)c2c1 Amb33306879 [0,1,0,0,1,0|2,0,0]=4 4491 B14R2.24358 O=C1C=Cc2ccc([N+](=O)[O-])cc21 Amb27975685 [0,1,0,0,1,0|2,0,0]=4 4492 B14R2.450 C=C(C)c1cc2ccccc2n1C Amb27965892 [0,1,0,0,1,0|2,0,0]=4 4493 B14R2.450 CC(=O)C1Cc2ccccc2C1=O Amb18803911 [0,1,0,0,1,0|0,0,2]=4 4494 B14R2.450 CC(=O)C1Nc2ccccc2C1=O Amb17594440 [0,1,0,0,1,0|1,0,1]=4 4495 B14R2.450 CC(=O)C1Oc2ccccc2C1=O Amb27656428 [0,1,0,0,1,0|1,0,1]=4 4496 B14R2.450 CC(=O)C1Sc2ccccc2C1=O Amb8470280 [0,1,0,0,1,0|1,0,1]=4 4497 B14R2.450 CC(=O)c1cc2ccccc2n1C Amb10808756 [0,1,0,0,1,0|1,0,0]=3 4498 B14R2.450 CC(=O)c1cc2ccccc2n1N Amb18197684 [0,1,0,0,1,0|1,0,0]=3 4499 B14R2.450 CC(=O)c1cc2ccccc2n1O Amb26493236 [0,1,0,0,1,0|1,0,0]=3 4500 B14R2.450 CC(=O)c1cc2ccccn2c1C Amb28193436 [0,1,0,0,1,0|1,0,0]=3 4501 B14R2.450 CC(=O)c1nc2ccccc2n1C Amb1655600 [0,1,0,0,1,0|2,0,0]=4 4502 B14R2.450 CC(=O)c1oc2ccccc2c1Br Amb6751841 [0,1,0,0,1,0|1,0,0]=3 4503 B14R2.450 CC(=O)c1oc2ccccc2c1C Amb415884 [0,1,0,0,1,0|1,0,0]=3 4504 B14R2.450 CC(=O)c1oc2ccccc2c1N Amb1111489 [0,1,0,0,1,0|1,0,0]=3 4505 B14R2.450 CC(=O)c1oc2ccccc2c1O Amb25898601 [0,1,0,0,1,0|1,0,0]=3 4506 B14R2.450 CC(=O)c1oc2ncccc2c1N Amb22641025 [0,1,0,0,1,0|2,0,0]=4 4507 B14R2.450 CC(=O)c1sc2ccccc2c1C Amb1663934 [0,1,0,0,1,0|1,0,0]=3 4508 B14R2.450 CC(=O)c1sc2ccccc2c1Cl Amb2614615 [0,1,0,0,1,0|1,0,0]=3 4509 B14R2.450 CC(=O)c1sc2ccccc2c1N Amb18650902 [0,1,0,0,1,0|1,0,0]=3 4510 B14R2.450 CC(=O)c1sc2ccccc2c1O Amb6360596 [0,1,0,0,1,0|1,0,0]=3 4511 B14R2.450 CC(=O)c1sc2ccncc2c1N Amb23452733 [0,1,0,0,1,0|2,0,0]=4 4512 B14R2.450 CC(=O)c1sc2cnccc2c1C Amb27215618 [0,1,0,0,1,0|2,0,0]=4 4513 B14R2.450 CC(=O)c1sc2cnccc2c1N Amb18190614 [0,1,0,0,1,0|2,0,0]=4 4514 B14R2.450 CC(=O)c1sc2ncccc2c1O Amb27636455 [0,1,0,0,1,0|2,0,0]=4 4515 B14R2.450 CC(C)=C1Cc2ccccc2C1=O Amb1014344 [0,1,0,0,1,0|1,0,1]=4 4516 B14R2.450 CC(C)=C1Nc2ccccc2C1=O Amb27791936 [0,1,0,0,1,0|2,0,0]=4 4517 B14R2.450 CC1=C(C(=O)Cl)Cc2ccccc21 Amb26966947 [0,1,0,0,1,0|1,0,1]=4 4518 B14R2.450 CC1=C(C(=O)O)Cc2ccccc21 Amb6201317 [0,1,0,0,1,0|1,0,1]=4 4519 B14R2.450 CC1C(C(=O)O)=Cc2ccccc21 Amb8392929 [0,1,0,0,1,0|1,0,1]=4 4520 B14R2.450 C\C(N)=C1/Cc2ccccc2C1=O Amb27587153 [0,1,0,0,1,0|1,0,1]=4 4521 B14R2.450 Cc1c(C(=O)Cl)oc2ccccc12 Amb2721788 [0,1,0,0,1,0|2,0,0]=4 4522 B14R2.450 Cc1c(C(=O)O)oc2ccccc12 Amb6335226 [0,1,0,0,1,0|2,0,0]=4 4523 B14R2.450 Cc1c(C(=O)O)sc2ccccc12 Amb1219874 [0,1,0,0,1,0|2,0,0]=4 4524 B14R2.450 Cc1c(C(=O)[O-])oc2ccccc12 Amb33513132 [0,1,0,0,1,0|2,0,0]=4 4525 B14R2.450 Cc1c(C(N)=O)oc2ccccc12 Amb8998168 [0,1,0,0,1,0|2,0,0]=4 4526 B14R2.450 Cn1c(C(=O)Cl)cc2ccccc21 Amb19958210 [0,1,0,0,1,0|2,0,0]=4 4527 B14R2.450 Cn1c(C(=O)O)cc2ccccc21 Amb1832457 [0,1,0,0,1,0|2,0,0]=4 4528 B14R2.450 Cn1c(C(N)=O)cc2ccccc21 Amb2613608 [0,1,0,0,1,0|2,0,0]=4 4529 B14R2.450 NC(=O)C1=Cc2ccccc2S1=O Amb27796206 [0,1,0,0,1,0|2,0,0]=4 4530 B14R2.450 NC(=O)c1cc2ccccc2n1N Amb28073994 [0,1,0,0,1,0|2,0,0]=4 4531 B14R2.450 NC(=O)c1oc2ccccc2c1Br Amb32671511 [0,1,0,0,1,0|2,0,0]=4 4532 B14R2.450 NC(=O)c1oc2ccccc2c1N Amb1039834 [0,1,0,0,1,0|2,0,0]=4 4533 B14R2.450 NC(=O)c1sc2ccccc2c1Br Amb27748971 [0,1,0,0,1,0|2,0,0]=4 4534 B14R2.450 NC(=O)c1sc2ccccc2c1Cl Amb6366038 [0,1,0,0,1,0|2,0,0]=4 4535 B14R2.450 NC(=O)c1sc2ccccc2c1N Amb2614585 [0,1,0,0,1,0|2,0,0]=4 4536 B14R2.450 Nc1c(C(=O)O)oc2ccccc12 Amb18118466 [0,1,0,0,1,0|2,0,0]=4 4537 B14R2.450 Nc1c(C(=O)O)sc2ccccc12 Amb845439 [0,1,0,0,1,0|2,0,0]=4 4538 B14R2.450 O=C(Cl)c1sc2ccccc2c1Cl Amb6403085 [0,1,0,0,1,0|2,0,0]=4 4539 B14R2.450 O=C(O)C1=C(Cl)c2ccccc2C1 Amb27266149 [0,1,0,0,1,0|1,0,1]=4 4540 B14R2.450 O=C(O)C1=Cc2ccccc2C1O Amb26471384 [0,1,0,0,1,0|1,0,1]=4 4541 B14R2.450 O=C(O)c1[se]c2ccccc2c1Br Amb1147928 [0,1,0,0,1,0|2,0,0]=4 4542 B14R2.450 O=C(O)c1oc2ccccc2c1Br Amb18136322 [0,1,0,0,1,0|2,0,0]=4 4543 B14R2.450 O=C(O)c1oc2ccccc2c1Cl Amb18188662 [0,1,0,0,1,0|2,0,0]=4 4544 B14R2.450 O=C(O)c1sc2ccccc2c1Br Amb20672009 [0,1,0,0,1,0|2,0,0]=4 4545 B14R2.450 O=C(O)c1sc2ccccc2c1Cl Amb6335588 [0,1,0,0,1,0|2,0,0]=4 4546 B14R2.450 O=C(O)c1sc2ccccc2c1F Amb28196507 [0,1,0,0,1,0|2,0,0]=4 4547 B14R2.450 O=C(O)c1sc2ccccc2c1I Amb22751342 [0,1,0,0,1,0|2,0,0]=4 4548 B14R2.450 O=C(O)c1sc2ccccc2c1O Amb16230697 [0,1,0,0,1,0|2,0,0]=4 4549 B14R2.450 O=C(O)c1sc2ccccc2c1S Amb18131197 [0,1,0,0,1,0|2,0,0]=4 4550 B14R2.972 C=C(CBr)c1cc2ccccc2s1 Amb33336626 [0,1,0,0,1,0|2,0,0]=4 4551 B14R2.972 C=C(CCl)c1cc2ccccc2s1 Amb33258516 [0,1,0,0,1,0|2,0,0]=4 4552 B14R2.972 C=C(CN)c1cc2ccccc2s1 Amb26443559 [0,1,0,0,1,0|2,0,0]=4 4553 B14R2.972 C=CC(=O)c1cc2ccccc2s1 Amb25674040 [0,1,0,0,1,0|1,0,1]=4 4554 B14R2.972 CC(C=O)c1cc2ccccc2s1 Amb24533768 [0,1,0,0,1,0|1,0,1]=4 4555 B14R2.972 CCC(=O)c1nc2ccccc2s1 Amb19649815 [0,1,0,0,1,0|2,0,0]=4 4556 B14R2.972 CNC(=O)C1=Cc2ccccc2C1 Amb28249973 [0,1,0,0,1,0|0,0,1]=3 4557 B14R2.972 CNC(=O)c1cc2ccccc2o1 Amb1089716 [0,1,0,0,1,0|1,0,0]=3 4558 B14R2.972 CNC(=O)c1cc2ccccc2s1 Amb8330181 [0,1,0,0,1,0|1,0,0]=3 4559 B14R2.972 CNC(=O)c1cc2ccccn2n1 Amb33718817 [0,1,0,0,1,0|2,0,0]=4 4560 B14R2.972 CNC(=O)c1cn2ccccc2n1 Amb20668178 [0,1,0,0,1,0|2,0,0]=4 4561 B14R2.972 CNC(=O)c1nc2ccccc2o1 Amb27772628 [0,1,0,0,1,0|2,0,0]=4 4562 B14R2.972 CNC(=O)c1nc2ccccc2s1 Amb27604261 [0,1,0,0,1,0|2,0,0]=4 4563 B14R2.972 COC(=N)c1cc2ccccc2o1 Amb18180472 [0,1,0,0,1,0|2,0,0]=4 4564 B14R2.972 COC(=O)C1=Cc2ccccc2C1 Amb25776174 [0,1,0,0,1,0|0,0,1]=3 4565 B14R2.972 COC(=O)c1cc2ccccc2o1 Amb2438530 [0,1,0,0,1,0|1,0,0]=3 4566 B14R2.972 COC(=O)c1cc2ccccc2s1 Amb1089421 [0,1,0,0,1,0|1,0,0]=3 4567 B14R2.972 COC(=O)c1cc2ccccn2c1 Amb19335913 [0,1,0,0,1,0|1,0,0]=3 4568 B14R2.972 COC(=O)c1cc2ccccn2n1 Amb10067445 [0,1,0,0,1,0|2,0,0]=4 4569 B14R2.972 COC(=O)c1cc2cccnc2s1 Amb10975342 [0,1,0,0,1,0|2,0,0]=4 4570 B14R2.972 COC(=O)c1cc2ccncc2s1 Amb20075908 [0,1,0,0,1,0|2,0,0]=4 4571 B14R2.972 COC(=O)c1cc2cnccc2s1 Amb25897258 [0,1,0,0,1,0|2,0,0]=4 4572 B14R2.972 COC(=O)c1cc2cnccn2c1 Amb28289810 [0,1,0,0,1,0|2,0,0]=4 4573 B14R2.972 COC(=O)c1cc2ncccc2s1 Amb9677683 [0,1,0,0,1,0|2,0,0]=4 4574 B14R2.972 COC(=O)c1nc2ccccc2o1 Amb19958887 [0,1,0,0,1,0|2,0,0]=4 4575 B14R2.972 COC(=S)c1cc2ccccc2o1 Amb27670058 [0,1,0,0,1,0|1,1,0]=4 4576 B14R2.972 CSC(=O)c1cc2ccccc2s1 Amb27966177 [0,1,0,0,1,0|1,0,0]=3 4577 B14R2.972 C\C(=N/O)c1cc2ccccc2o1 Amb1152019 [0,1,0,0,1,0|1,0,1]=4 4578 B14R2.972 C\C(=N/O)c1cc2ccccc2s1 Amb8396551 [0,1,0,0,1,0|1,0,1]=4 4579 B14R2.972 C\C(=N\N)c1cc2ccccc2s1 Amb28291779 [0,1,0,0,1,0|2,0,0]=4 4580 B14R2.972 C\C(=N\O)c1cc2ccccn2c1 Amb27862925 [0,1,0,0,1,0|1,0,1]=4 4581 B14R2.972 NCC(=O)c1cc2ccccc2o1 Amb7094329 [0,1,0,0,1,0|1,0,0]=3 4582 B14R2.972 NCC(=O)c1cc2ccccc2s1 Amb25900376 [0,1,0,0,1,0|1,0,0]=3 4583 B14R2.972 NCC(=O)c1cc2ccccc2s1 Amb32674584 [0,1,0,0,1,0|1,0,0]=3 4584 B14R2.972 NCC(=O)c1cn2ccccc2n1 Amb33148744 [0,1,0,0,1,0|2,0,0]=4 4585 B14R2.972 NCC(=O)c1nc2ccccc2s1 Amb24106010 [0,1,0,0,1,0|2,0,0]=4 4586 B14R2.972 NNC(=O)c1cc2ccccc2o1 Amb1830252 [0,1,0,0,1,0|2,0,0]=4 4587 B14R2.972 NNC(=O)c1cc2ccccc2s1 Amb2722617 [0,1,0,0,1,0|2,0,0]=4 4588 B14R2.972 O=C(CBr)c1cc2ccccc2o1 Amb1103621 [0,1,0,0,1,0|1,0,0]=3 4589 B14R2.972 O=C(CBr)c1cc2ccccc2s1 Amb2723177 [0,1,0,0,1,0|1,0,0]=3 4590 B14R2.972 O=C(CBr)c1cn2ccccc2n1 Amb28194153 [0,1,0,0,1,0|2,0,0]=4 4591 B14R2.972 O=C(CBr)c1nc2ccccc2o1 Amb27161127 [0,1,0,0,1,0|2,0,0]=4 4592 B14R2.972 O=C(CBr)c1nc2ccccc2s1 Amb2723095 [0,1,0,0,1,0|2,0,0]=4 4593 B14R2.972 O=C(CCl)c1cc2ccccc2o1 Amb5559104 [0,1,0,0,1,0|1,0,0]=3 4594 B14R2.972 O=C(CCl)c1nc2ccccc2s1 Amb26645217 [0,1,0,0,1,0|2,0,0]=4 4595 B14R2.972 O=C(CF)c1nc2ccccc2s1 Amb27223305 [0,1,0,0,1,0|2,0,0]=4 4596 B14R2.972 O=C(CO)c1cc2ccccc2o1 Amb18808836 [0,1,0,0,1,0|1,0,0]=3 4597 B14R2.972 O=C(CO)c1cc2ccccc2s1 Amb27462459 [0,1,0,0,1,0|1,0,0]=3 4598 B14R2.972 O=C(CO)c1nc2ccccc2s1 Amb26051141 [0,1,0,0,1,0|2,0,0]=4 4599 B14R2.972 O=C(NO)c1cc2ccccc2o1 Amb6279288 [0,1,0,0,1,0|2,0,0]=4 4600 B14R2.972 O=CC(=O)c1cc2ccccc2o1 Amb10067948 [0,1,0,0,1,0|1,0,1]=4 4601 B14R2.972 O=CC(=O)c1cc2ccccc2o1 Amb18825262 [0,1,0,0,1,0|1,0,1]=4 4602 B14R2.972 O=CC(=O)c1cc2ccccc2s1 Amb10067949 [0,1,0,0,1,0|1,0,1]=4 4603 B14R2.972 O=CC(=O)c1cc2ccccc2s1 Amb20671215 [0,1,0,0,1,0|1,0,1]=4 4604 B14R2.3129 CS(=O)(=O)c1cc2ccccc2o1 Amb28052828 [0,1,0,0,1,0|2,0,0]=4 4605 B14R2.4529 C=C(C)c1cc2cc(Br)ccc2o1 Amb27829805 [0,1,0,0,1,0|2,0,0]=4 4606 B14R2.4529 C=C(C)c1cc2cc(O)ccc2o1 Amb27463980 [0,1,0,0,1,0|2,0,0]=4 4607 B14R2.4529 CC(=O)c1cc2cc(Br)ccc2o1 Amb1152978 [0,1,0,0,1,0|1,0,0]=3 4608 B14R2.4529 CC(=O)c1cc2cc(C)ccc2o1 Amb7094340 [0,1,0,0,1,0|1,0,0]=3 4609 B14R2.4529 CC(=O)c1cc2cc(Cl)ccc2o1 Amb1651066 [0,1,0,0,1,0|1,0,0]=3 4610 B14R2.4529 CC(=O)c1cc2cc(Cl)ccc2s1 Amb27971189 [0,1,0,0,1,0|1,0,0]=3 4611 B14R2.4529 CC(=O)c1cc2cc(F)ccc2o1 Amb17334032 [0,1,0,0,1,0|1,0,0]=3 4612 B14R2.4529 CC(=O)c1cc2cc(F)ccc2s1 Amb28289182 [0,1,0,0,1,0|1,0,0]=3 4613 B14R2.4529 CC(=O)c1cc2cc(N)ccc2o1 Amb3429917 [0,1,0,0,1,0|1,0,0]=3 4614 B14R2.4529 CC(=O)c1cc2cc(N)ccc2s1 Amb18670780 [0,1,0,0,1,0|1,0,0]=3 4615 B14R2.4529 CC(=O)c1cc2cc(N)cnc2s1 Amb18190679 [0,1,0,0,1,0|2,0,0]=4 4616 B14R2.4529 CC(=O)c1cc2cc(O)ccc2o1 Amb3483402 [0,1,0,0,1,0|1,0,0]=3 4617 B14R2.4529 CC(=O)c1cc2cc(O)ccc2s1 Amb18129949 [0,1,0,0,1,0|1,0,0]=3 4618 B14R2.4529 CC(=O)c1cc2ccc(Br)cc2o1 Amb18157662 [0,1,0,0,1,0|1,0,0]=3 4619 B14R2.4529 CC(=O)c1cc2ccc(Br)cc2s1 Amb25094514 [0,1,0,0,1,0|1,0,0]=3 4620 B14R2.4529 CC(=O)c1cc2ccc(C)cc2o1 Amb7094336 [0,1,0,0,1,0|1,0,0]=3 4621 B14R2.4529 CC(=O)c1cc2ccc(C)nc2s1 Amb18190836 [0,1,0,0,1,0|2,0,0]=4 4622 B14R2.4529 CC(=O)c1cc2ccc(Cl)cc2o1 Amb18189658 [0,1,0,0,1,0|1,0,0]=3 4623 B14R2.4529 CC(=O)c1cc2ccc(Cl)cc2s1 Amb25352000 [0,1,0,0,1,0|1,0,0]=3 4624 B14R2.4529 CC(=O)c1cc2ccc(F)cc2o1 Amb18824925 [0,1,0,0,1,0|1,0,0]=3 4625 B14R2.4529 CC(=O)c1cc2ccc(F)cc2s1 Amb27812471 [0,1,0,0,1,0|1,0,0]=3 4626 B14R2.4529 CC(=O)c1cc2ccc(N)cc2s1 Amb18670791 [0,1,0,0,1,0|1,0,0]=3 4627 B14R2.4529 CC(=O)c1cc2ccc(O)cc2o1 Amb26842369 [0,1,0,0,1,0|1,0,0]=3 4628 B14R2.4529 CC(=O)c1cc2nc(C)ccc2o1 Amb20623777 [0,1,0,0,1,0|2,0,0]=4 4629 B14R2.4529 CC(=O)c1cc2nc(Cl)ccc2s1 Amb33221066 [0,1,0,0,1,0|2,0,0]=4 4630 B14R2.4529 CC(=O)c1cn2cc(C)ccc2n1 Amb28314336 [0,1,0,0,1,0|2,0,0]=4 4631 B14R2.4529 CC(=O)c1cn2cc(Cl)ccc2n1 Amb27880105 [0,1,0,0,1,0|2,0,0]=4 4632 B14R2.4529 CC(=O)c1cn2cc(F)ccc2n1 Amb25670193 [0,1,0,0,1,0|2,0,0]=4 4633 B14R2.4529 CC(=O)c1cn2ccc(C)cc2n1 Amb25841092 [0,1,0,0,1,0|2,0,0]=4 4634 B14R2.4529 CC(=O)c1nc2cc(Br)ccc2o1 Amb18731619 [0,1,0,0,1,0|2,0,0]=4 4635 B14R2.4529 CC(=O)c1nc2cc(C)ccc2o1 Amb25308913 [0,1,0,0,1,0|2,0,0]=4 4636 B14R2.4529 CC(=O)c1nc2cc(C)ccc2s1 Amb27607090 [0,1,0,0,1,0|2,0,0]=4 4637 B14R2.4529 CC(=O)c1nc2cc(F)ccc2o1 Amb25312336 [0,1,0,0,1,0|2,0,0]=4 4638 B14R2.4529 CC(=O)c1nc2cc(F)ccc2s1 Amb25893838 [0,1,0,0,1,0|2,0,0]=4 4639 B14R2.4529 CC(=O)c1nc2cc(I)ccc2o1 Amb26894820 [0,1,0,0,1,0|2,0,0]=4 4640 B14R2.4529 CC(=O)c1nc2cc(N)ccc2o1 Amb18196984 [0,1,0,0,1,0|2,0,0]=4 4641 B14R2.4529 CC(=O)c1nc2cc(S)ccc2o1 Amb25971994 [0,1,0,0,1,0|2,0,0]=4 4642 B14R2.4529 CC(=O)c1nc2ccc(Br)cc2o1 Amb18731620 [0,1,0,0,1,0|2,0,0]=4 4643 B14R2.4529 CC(=O)c1nc2ccc(Br)cc2s1 Amb25035507 [0,1,0,0,1,0|2,0,0]=4 4644 B14R2.4529 CC(=O)c1nc2ccc(C)cc2s1 Amb25760644 [0,1,0,0,1,0|2,0,0]=4 4645 B14R2.4529 CC(=O)c1nc2ccc(Cl)cc2o1 Amb25755631 [0,1,0,0,1,0|2,0,0]=4 4646 B14R2.4529 CC(=O)c1nc2ccc(Cl)cc2s1 Amb27165959 [0,1,0,0,1,0|2,0,0]=4 4647 B14R2.4529 CC(=O)c1nc2ccc(F)cc2o1 Amb25768508 [0,1,0,0,1,0|2,0,0]=4 4648 B14R2.4529 CC(=O)c1nc2ccc(F)cc2s1 Amb25684163 [0,1,0,0,1,0|2,0,0]=4 4649 B14R2.4529 CC(=O)c1nc2ccc(I)cc2o1 Amb24549377 [0,1,0,0,1,0|2,0,0]=4 4650 B14R2.4529 CC(=O)c1nc2ccc(N)cc2o1 Amb27668799 [0,1,0,0,1,0|2,0,0]=4 4651 B14R2.4529 CC(=O)c1nc2ccc(O)cc2o1 Amb24579330 [0,1,0,0,1,0|2,0,0]=4 4652 B14R2.4529 CC(=O)c1nc2ccc(S)cc2o1 Amb26417029 [0,1,0,0,1,0|2,0,0]=4 4653 B14R2.4529 CC(=O)n1cc2cc(Br)ccc2n1 Amb16231051 [0,1,0,0,1,0|2,0,0]=4 4654 B14R2.4529 CC(=O)n1cc2cc(Cl)ccc2n1 Amb22736292 [0,1,0,0,1,0|2,0,0]=4 4655 B14R2.4529 CC(=O)n1cc2cc(I)ccc2n1 Amb10982596 [0,1,0,0,1,0|2,0,0]=4 4656 B14R2.4529 CC(=O)n1cc2ccc(F)cc2n1 Amb22737806 [0,1,0,0,1,0|2,0,0]=4 4657 B14R2.4529 CC(=O)n1cc2ccc(I)cc2n1 Amb22736268 [0,1,0,0,1,0|2,0,0]=4 4658 B14R2.4529 Cc1ccc2cc(C(=O)Cl)sc2c1 Amb27857280 [0,1,0,0,1,0|2,0,0]=4 4659 B14R2.4529 Cc1ccc2cc(C(=O)O)oc2c1 Amb7088969 [0,1,0,0,1,0|2,0,0]=4 4660 B14R2.4529 Cc1ccc2cc(C(=O)O)sc2c1 Amb5328964 [0,1,0,0,1,0|2,0,0]=4 4661 B14R2.4529 Cc1ccc2oc(C(=O)Cl)cc2c1 Amb18321287 [0,1,0,0,1,0|2,0,0]=4 4662 B14R2.4529 Cc1ccc2oc(C(=O)O)cc2c1 Amb1950844 [0,1,0,0,1,0|2,0,0]=4 4663 B14R2.4529 Cc1ccc2oc(C(N)=O)cc2c1 Amb18180473 [0,1,0,0,1,0|2,0,0]=4 4664 B14R2.4529 Cc1ccc2sc(C(=O)O)cc2c1 Amb2724851 [0,1,0,0,1,0|2,0,0]=4 4665 B14R2.4529 Cc1ccn2cc(C(=O)O)cc2c1 Amb3939923 [0,1,0,0,1,0|2,0,0]=4 4666 B14R2.4529 NC(=O)c1cc2cc(Br)ccc2o1 Amb2300496 [0,1,0,0,1,0|2,0,0]=4 4667 B14R2.4529 NC(=O)c1cc2cc(Cl)ccc2o1 Amb22749535 [0,1,0,0,1,0|2,0,0]=4 4668 B14R2.4529 NC(=O)c1cc2cc(Cl)ccc2s1 Amb27638489 [0,1,0,0,1,0|2,0,0]=4 4669 B14R2.4529 NC(=O)c1cc2cc(F)ccc2s1 Amb8998207 [0,1,0,0,1,0|2,0,0]=4 4670 B14R2.4529 NC(=O)c1cc2cc(N)ccc2o1 Amb10608984 [0,1,0,0,1,0|2,0,0]=4 4671 B14R2.4529 NC(=O)c1cc2cc(N)ccc2o1 Amb9199460 [0,1,0,0,1,0|2,0,0]=4 4672 B14R2.4529 NC(=O)c1cc2ccc(Br)cc2s1 Amb10975649 [0,1,0,0,1,0|2,0,0]=4 4673 B14R2.4529 NC(=O)c1cc2ccc(F)cc2o1 Amb27180014 [0,1,0,0,1,0|2,0,0]=4 4674 B14R2.4529 Nc1ccc2cc(C(=O)O)cn2c1 Amb18196963 [0,1,0,0,1,0|2,0,0]=4 4675 B14R2.4529 Nc1ccc2cc(C(=O)O)oc2c1 Amb18670711 [0,1,0,0,1,0|2,0,0]=4 4676 B14R2.4529 Nc1ccc2cc(C(=O)O)sc2c1 Amb18670820 [0,1,0,0,1,0|2,0,0]=4 4677 B14R2.4529 Nc1ccc2oc(C(=O)O)cc2c1 Amb10975495 [0,1,0,0,1,0|2,0,0]=4 4678 B14R2.4529 Nc1ccc2oc(C(=O)O)cc2c1 Amb9200655 [0,1,0,0,1,0|2,0,0]=4 4679 B14R2.4529 Nc1ccc2sc(C(=O)O)cc2c1 Amb2196730 [0,1,0,0,1,0|2,0,0]=4 4680 B14R2.4529 Nc1ccc2sc(C(=O)O)cc2c1 Amb2455030 [0,1,0,0,1,0|2,0,0]=4 4681 B14R2.4529 Nc1ccc2sc(C(=O)[O-])cc2c1 Amb21859425 [0,1,0,0,1,0|2,0,0]=4 4682 B14R2.4529 O=C(Cl)c1cc2cc(Br)ccc2o1 Amb2723498 [0,1,0,0,1,0|2,0,0]=4 4683 B14R2.4529 O=C(Cl)c1cc2cc(Cl)ccc2o1 Amb26057376 [0,1,0,0,1,0|2,0,0]=4 4684 B14R2.4529 O=C(Cl)c1cc2cc(Cl)ccc2s1 Amb15695247 [0,1,0,0,1,0|2,0,0]=4 4685 B14R2.4529 O=C(Cl)c1cc2cc(F)ccc2s1 Amb10975639 [0,1,0,0,1,0|2,0,0]=4 4686 B14R2.4529 O=C(Cl)c1cc2cc(O)ccc2o1 Amb27587144 [0,1,0,0,1,0|2,0,0]=4 4687 B14R2.4529 O=C(Cl)c1cc2cc(O)ccc2s1 Amb27771431 [0,1,0,0,1,0|2,0,0]=4 4688 B14R2.4529 O=C(Cl)c1cc2ccc(Br)cc2s1 Amb10975647 [0,1,0,0,1,0|2,0,0]=4 4689 B14R2.4529 O=C(O)C1=Cc2ccc(Cl)cc2C1 Amb27657657 [0,1,0,0,1,0|1,0,1]=4 4690 B14R2.4529 O=C(O)c1cc2cc(Br)ccc2o1 Amb1091880 [0,1,0,0,1,0|2,0,0]=4 4691 B14R2.4529 O=C(O)c1cc2cc(Br)ccc2s1 Amb2423290 [0,1,0,0,1,0|2,0,0]=4 4692 B14R2.4529 O=C(O)c1cc2cc(Cl)ccc2o1 Amb1154613 [0,1,0,0,1,0|2,0,0]=4 4693 B14R2.4529 O=C(O)c1cc2cc(Cl)ccc2s1 Amb5328936 [0,1,0,0,1,0|2,0,0]=4 4694 B14R2.4529 O=C(O)c1cc2cc(F)ccc2o1 Amb9174483 [0,1,0,0,1,0|2,0,0]=4 4695 B14R2.4529 O=C(O)c1cc2cc(F)ccc2s1 Amb1154250 [0,1,0,0,1,0|2,0,0]=4 4696 B14R2.4529 O=C(O)c1cc2cc(I)ccc2o1 Amb22751603 [0,1,0,0,1,0|2,0,0]=4 4697 B14R2.4529 O=C(O)c1cc2cc(O)ccc2o1 Amb13881926 [0,1,0,0,1,0|2,0,0]=4 4698 B14R2.4529 O=C(O)c1cc2cc(O)ccc2s1 Amb18130069 [0,1,0,0,1,0|2,0,0]=4 4699 B14R2.4529 O=C(O)c1cc2ccc(Br)cc2o1 Amb2446994 [0,1,0,0,1,0|2,0,0]=4 4700 B14R2.4529 O=C(O)c1cc2ccc(Br)cc2s1 Amb5328958 [0,1,0,0,1,0|2,0,0]=4 4701 B14R2.4529 O=C(O)c1cc2ccc(Br)cn2c1 Amb18731618 [0,1,0,0,1,0|2,0,0]=4 4702 B14R2.4529 O=C(O)c1cc2ccc(Cl)cc2o1 Amb18188661 [0,1,0,0,1,0|2,0,0]=4 4703 B14R2.4529 O=C(O)c1cc2ccc(Cl)cc2s1 Amb2237307 [0,1,0,0,1,0|2,0,0]=4 4704 B14R2.4529 O=C(O)c1cc2ccc(F)cc2o1 Amb18824570 [0,1,0,0,1,0|2,0,0]=4 4705 B14R2.4529 O=C(O)c1cc2ccc(F)cc2s1 Amb1106075 [0,1,0,0,1,0|2,0,0]=4 4706 B14R2.4529 O=C(O)c1cc2ccc(F)cn2c1 Amb18824774 [0,1,0,0,1,0|2,0,0]=4 4707 B14R2.4529 O=C(O)c1cc2ccc(O)cc2o1 Amb21864630 [0,1,0,0,1,0|2,0,0]=4 4708 B14R2.4529 O=C(O)c1cc2ccc(O)cc2s1 Amb27636509 [0,1,0,0,1,0|2,0,0]=4 4709 B14R2.4529 O=C([O-])c1cc2cc(Cl)ccc2o1 Amb33513294 [0,1,0,0,1,0|2,0,0]=4 4710 B14R2.4529 O=C([O-])c1cc2ccc(Cl)cc2s1 Amb21859422 [0,1,0,0,1,0|2,0,0]=4 4711 B14R2.7969 CC(=O)c1cc2c(Cl)cccc2o1 Amb18189657 [0,1,0,0,1,0|1,0,0]=3 4712 B14R2.7969 CC(=O)c1cc2c(Cl)cncc2o1 Amb18189162 [0,1,0,0,1,0|2,0,0]=4 4713 B14R2.7969 CC(=O)c1cc2c(Cl)nccc2o1 Amb26882325 [0,1,0,0,1,0|2,0,0]=4 4714 B14R2.7969 CC(=O)c1cc2c(F)cccc2s1 Amb27588348 [0,1,0,0,1,0|1,0,0]=3 4715 B14R2.7969 CC(=O)c1cc2c(I)cccc2s1 Amb27796628 [0,1,0,0,1,0|1,0,0]=3 4716 B14R2.7969 CC(=O)c1cc2c(N)cccc2o1 Amb18670673 [0,1,0,0,1,0|1,0,0]=3 4717 B14R2.7969 CC(=O)c1cc2c(N)cccc2s1 Amb18670775 [0,1,0,0,1,0|1,0,0]=3 4718 B14R2.7969 CC(=O)c1cc2c(N)cncc2s1 Amb18190678 [0,1,0,0,1,0|2,0,0]=4 4719 B14R2.7969 CC(=O)c1cc2c(O)cccc2o1 Amb26344585 [0,1,0,0,1,0|1,0,0]=3 4720 B14R2.7969 CC(=O)c1cc2cccc(Br)c2o1 Amb8875419 [0,1,0,0,1,0|1,0,0]=3 4721 B14R2.7969 CC(=O)c1cc2cccc(C)c2s1 Amb28130019 [0,1,0,0,1,0|1,0,0]=3 4722 B14R2.7969 CC(=O)c1cc2cccc(Cl)c2o1 Amb8875418 [0,1,0,0,1,0|1,0,0]=3 4723 B14R2.7969 CC(=O)c1cc2cccc(F)c2o1 Amb8875417 [0,1,0,0,1,0|1,0,0]=3 4724 B14R2.7969 CC(=O)c1cc2cccc(O)c2o1 Amb3939742 [0,1,0,0,1,0|1,0,0]=3 4725 B14R2.7969 CC(=O)c1cn2c(C)cccc2n1 Amb25670192 [0,1,0,0,1,0|2,0,0]=4 4726 B14R2.7969 CC(=O)c1cn2cccc(Br)c2n1 Amb27206820 [0,1,0,0,1,0|2,0,0]=4 4727 B14R2.7969 CC(=O)c1cn2cccc(C)c2n1 Amb25303293 [0,1,0,0,1,0|2,0,0]=4 4728 B14R2.7969 CC(=O)c1cn2cccc(Cl)c2n1 Amb25259756 [0,1,0,0,1,0|2,0,0]=4 4729 B14R2.7969 CC(=O)c1cn2cccc(F)c2n1 Amb26456918 [0,1,0,0,1,0|2,0,0]=4 4730 B14R2.7969 CC(=O)c1nc2c(C)cccc2o1 Amb24556409 [0,1,0,0,1,0|2,0,0]=4 4731 B14R2.7969 CC(=O)c1nc2c(F)cccc2o1 Amb28185028 [0,1,0,0,1,0|2,0,0]=4 4732 B14R2.7969 CC(=O)c1nc2c(F)cccc2s1 Amb26017743 [0,1,0,0,1,0|2,0,0]=4 4733 B14R2.7969 CC(=O)c1nc2c(I)cccc2o1 Amb28255869 [0,1,0,0,1,0|2,0,0]=4 4734 B14R2.7969 CC(=O)c1nc2c(N)cccc2o1 Amb28141962 [0,1,0,0,1,0|2,0,0]=4 4735 B14R2.7969 CC(=O)c1nc2c(O)cccc2o1 Amb26424427 [0,1,0,0,1,0|2,0,0]=4 4736 B14R2.7969 CC(=O)c1nc2c(O)cccc2s1 Amb28367222 [0,1,0,0,1,0|2,0,0]=4 4737 B14R2.7969 CC(=O)c1nc2cccc(Br)c2o1 Amb26059583 [0,1,0,0,1,0|2,0,0]=4 4738 B14R2.7969 CC(=O)c1nc2cccc(C)c2o1 Amb26607172 [0,1,0,0,1,0|2,0,0]=4 4739 B14R2.7969 CC(=O)c1nc2cccc(Cl)c2o1 Amb25276139 [0,1,0,0,1,0|2,0,0]=4 4740 B14R2.7969 CC(=O)c1nc2cccc(F)c2o1 Amb27603386 [0,1,0,0,1,0|2,0,0]=4 4741 B14R2.7969 CC(=O)c1nc2cccc(F)c2s1 Amb18814250 [0,1,0,0,1,0|2,0,0]=4 4742 B14R2.7969 CC(=O)c1nc2cccc(I)c2o1 Amb27224352 [0,1,0,0,1,0|2,0,0]=4 4743 B14R2.7969 CC(=O)c1nc2cccc(N)c2o1 Amb25777827 [0,1,0,0,1,0|2,0,0]=4 4744 B14R2.7969 CC(=O)c1nc2cccc(O)c2o1 Amb26576955 [0,1,0,0,1,0|2,0,0]=4 4745 B14R2.7969 CC(=O)c1nc2cccc(S)c2o1 Amb26442559 [0,1,0,0,1,0|2,0,0]=4 4746 B14R2.7969 Cc1cccc2cc(C(=O)O)cn12 Amb18197445 [0,1,0,0,1,0|2,0,0]=4 4747 B14R2.7969 Cc1cccc2cc(C(=O)O)oc12 Amb33526870 [0,1,0,0,1,0|2,0,0]=4 4748 B14R2.7969 Cc1cccc2cc(C(=O)O)sc12 Amb26304262 [0,1,0,0,1,0|2,0,0]=4 4749 B14R2.7969 Cc1cccc2cc(C(N)=O)oc12 Amb22971891 [0,1,0,0,1,0|2,0,0]=4 4750 B14R2.7969 Cc1cccc2oc(C(=O)O)cc12 Amb18197060 [0,1,0,0,1,0|2,0,0]=4 4751 B14R2.7969 Cc1cccc2sc(C(=O)O)cc12 Amb5328963 [0,1,0,0,1,0|2,0,0]=4 4752 B14R2.7969 Cc1cccc2sc(C(N)=O)cc12 Amb27667223 [0,1,0,0,1,0|2,0,0]=4 4753 B14R2.7969 Cc1cccn2cc(C(=O)O)cc12 Amb3939922 [0,1,0,0,1,0|2,0,0]=4 4754 B14R2.7969 NC(=O)c1cc2c(Br)cccc2s1 Amb21926799 [0,1,0,0,1,0|2,0,0]=4 4755 B14R2.7969 NC(=O)c1cc2c(Cl)cccc2s1 Amb25894519 [0,1,0,0,1,0|2,0,0]=4 4756 B14R2.7969 NC(=O)c1cc2c(N)cccc2o1 Amb23402656 [0,1,0,0,1,0|2,0,0]=4 4757 B14R2.7969 NC(=O)c1cc2c(O)cccc2s1 Amb32659704 [0,1,0,0,1,0|2,0,0]=4 4758 B14R2.7969 NC(=O)c1cc2cccc(F)c2o1 Amb28127536 [0,1,0,0,1,0|2,0,0]=4 4759 B14R2.7969 NC(=O)c1cc2cccc(N)c2o1 Amb27796333 [0,1,0,0,1,0|2,0,0]=4 4760 B14R2.7969 Nc1cccc2cc(C(=O)O)oc12 Amb17606143 [0,1,0,0,1,0|2,0,0]=4 4761 B14R2.7969 Nc1cccc2cc(C(=O)O)oc12 Amb9197957 [0,1,0,0,1,0|2,0,0]=4 4762 B14R2.7969 Nc1cccc2cc(C(=O)O)sc12 Amb27771092 [0,1,0,0,1,0|2,0,0]=4 4763 B14R2.7969 Nc1cccc2oc(C(=O)O)cc12 Amb18670700 [0,1,0,0,1,0|2,0,0]=4 4764 B14R2.7969 Nc1cccc2sc(C(=O)O)cc12 Amb18138384 [0,1,0,0,1,0|2,0,0]=4 4765 B14R2.7969 Nc1cccn2cc(C(=O)O)cc12 Amb18196957 [0,1,0,0,1,0|2,0,0]=4 4766 B14R2.7969 O=C(Cl)c1cc2c(Br)cccc2s1 Amb19895164 [0,1,0,0,1,0|2,0,0]=4 4767 B14R2.7969 O=C(Cl)c1cc2c(Cl)cccc2s1 Amb27442152 [0,1,0,0,1,0|2,0,0]=4 4768 B14R2.7969 O=C(Cl)c1cc2cccc(Br)c2s1 Amb27777006 [0,1,0,0,1,0|2,0,0]=4 4769 B14R2.7969 O=C(Cl)c1cc2cccc(Cl)c2s1 Amb27848644 [0,1,0,0,1,0|2,0,0]=4 4770 B14R2.7969 O=C(O)c1cc2c(Br)cccc2o1 Amb18730278 [0,1,0,0,1,0|2,0,0]=4 4771 B14R2.7969 O=C(O)c1cc2c(Br)cccc2s1 Amb5328957 [0,1,0,0,1,0|2,0,0]=4 4772 B14R2.7969 O=C(O)c1cc2c(Cl)cccc2o1 Amb18652523 [0,1,0,0,1,0|2,0,0]=4 4773 B14R2.7969 O=C(O)c1cc2c(Cl)cccc2s1 Amb43692 [0,1,0,0,1,0|2,0,0]=4 4774 B14R2.7969 O=C(O)c1cc2c(Cl)cccn2c1 Amb25794750 [0,1,0,0,1,0|2,0,0]=4 4775 B14R2.7969 O=C(O)c1cc2c(F)cccc2o1 Amb18824571 [0,1,0,0,1,0|2,0,0]=4 4776 B14R2.7969 O=C(O)c1cc2c(F)cccc2s1 Amb1215726 [0,1,0,0,1,0|2,0,0]=4 4777 B14R2.7969 O=C(O)c1cc2c(F)cccn2c1 Amb28280094 [0,1,0,0,1,0|2,0,0]=4 4778 B14R2.7969 O=C(O)c1cc2c(O)cccc2o1 Amb27241405 [0,1,0,0,1,0|2,0,0]=4 4779 B14R2.7969 O=C(O)c1cc2c(O)cccc2s1 Amb24392528 [0,1,0,0,1,0|2,0,0]=4 4780 B14R2.7969 O=C(O)c1cc2cccc(Br)c2o1 Amb7969836 [0,1,0,0,1,0|2,0,0]=4 4781 B14R2.7969 O=C(O)c1cc2cccc(Br)c2s1 Amb19894989 [0,1,0,0,1,0|2,0,0]=4 4782 B14R2.7969 O=C(O)c1cc2cccc(Cl)c2o1 Amb8875416 [0,1,0,0,1,0|2,0,0]=4 4783 B14R2.7969 O=C(O)c1cc2cccc(Cl)c2s1 Amb5328932 [0,1,0,0,1,0|2,0,0]=4 4784 B14R2.7969 O=C(O)c1cc2cccc(Cl)n2c1 Amb35789068 [0,1,0,0,1,0|2,0,0]=4 4785 B14R2.7969 O=C(O)c1cc2cccc(F)c2o1 Amb8873734 [0,1,0,0,1,0|2,0,0]=4 4786 B14R2.7969 O=C(O)c1cc2cccc(F)c2s1 Amb6384468 [0,1,0,0,1,0|2,0,0]=4 4787 B14R2.7969 O=C(O)c1cc2cccc(O)c2o1 Amb13881925 [0,1,0,0,1,0|2,0,0]=4 4788 B14R2.7969 O=C(O)c1cc2cccc(O)c2s1 Amb18130068 [0,1,0,0,1,0|2,0,0]=4 4789 B16R2.324 O=C(O)C1=Cc2ccccc2C=CC1=O Amb21952837 [0,1,0,0,0,1|1,0,0]=3 4790 B16R2.1213 COC(=O)C1=Cc2ccccc2OC=C1 Amb2617233 [0,1,0,0,0,1|0,0,0]=2 4791 B16R2.3989 CC(=O)CC1=Cc2ccccc2OC1=O Amb21912706 [0,1,0,0,0,1|1,0,0]=3 4792 B16R2.3989 CC(=O)CC1=Nc2ccccc2NC1=O Amb20414414 [0,1,0,0,0,1|2,0,0]=4 4793 B16R2.3989 CC(=O)Cc1cc2ccccc2nc1Cl Amb33058244 [0,1,0,0,0,1|1,0,0]=3 4794 B16R2.3989 CC(=O)Cc1cc2ncccc2nc1C Amb32659115 [0,1,0,0,0,1|2,0,0]=4 4795 B16R2.3989 CC(=O)NC1=Cc2ccccc2OC1=O Amb19517256 [0,1,0,0,0,1|1,0,0]=3 4796 B16R2.3989 Cc1cc2ccccc2nc1CC(=O)O Amb27611251 [0,1,0,0,0,1|2,0,0]=4 4797 B16R2.3989 Cc1cc2ccccc2nc1CC(=O)[O-] Amb32667164 [0,1,0,0,0,1|2,0,0]=4 4798 B16R2.3989 Cc1nc2ccccc2cc1CC(=O)O Amb18864335 [0,1,0,0,0,1|2,0,0]=4 4799 B16R2.3989 NC(=O)Cc1cc2ccccc2cc1O Amb17595332 [0,1,0,0,0,1|1,0,0]=3 4800 B16R2.3989 O=C(O)CC1=Cc2ccccc2NC1=O Amb18537330 [0,1,0,0,0,1|2,0,0]=4 4801 B16R2.3989 O=C(O)CC1=Cc2ccccc2OC1=O Amb18654435 [0,1,0,0,0,1|2,0,0]=4 4802 B16R2.3989 O=C(O)Cc1cc2ccccc2nc1Cl Amb22396244 [0,1,0,0,0,1|2,0,0]=4 4803 B16R2.3989 O=C(O)Cc1cc2cccnc2cc1F Amb22757105 [0,1,0,0,0,1|2,0,0]=4 4804 B16R2.5347 C#CC(=O)Cc1ccc2ccccc2c1 Amb27871990 [0,1,0,0,0,1|0,0,1]=3 4805 B16R2.5347 C#CC(=O)Oc1ccc2ccccc2c1 Amb22487655 [0,1,0,0,0,1|0,0,1]=3 4806 B16R2.5347 C=CC(=O)Nc1ccc2ncccc2c1 Amb19066895 [0,1,0,0,0,1|1,0,1]=4 4807 B16R2.5347 CC(C=O)Cc1ccc2cccnc2c1 Amb27968504 [0,1,0,0,0,1|1,0,1]=4 4808 B16R2.5347 CC(C=O)Oc1ccc2ccccc2c1 Amb30020968 [0,1,0,0,0,1|0,0,1]=3 4809 B16R2.5347 CC(C=O)Oc1ccc2cccnc2c1 Amb30020972 [0,1,0,0,0,1|1,0,1]=4 4810 B16R2.5347 CC(C=O)Sc1ccc2ccccc2c1 Amb30020901 [0,1,0,0,0,1|0,0,1]=3 4811 B16R2.5347 CC(C=O)Sc1ccc2ccccc2n1 Amb30020902 [0,1,0,0,0,1|1,0,1]=4 4812 B16R2.5347 CC(CBr)Cc1ccc2ccccc2c1 Amb28456230 [0,1,0,0,0,1|1,0,1]=4 4813 B16R2.5347 CC(CBr)Oc1ccc2ccccc2c1 Amb17271457 [0,1,0,0,0,1|1,0,1]=4 4814 B16R2.5347 CC(CCl)Oc1ccc2ccccc2c1 Amb17244663 [0,1,0,0,0,1|1,0,1]=4 4815 B16R2.5347 CC(CN)Cc1ccc2ccccc2c1 Amb33748491 [0,1,0,0,0,1|1,0,1]=4 4816 B16R2.5347 CC(CO)Cc1ccc2ccccc2c1 Amb33748495 [0,1,0,0,0,1|0,0,2]=4 4817 B16R2.5347 CC(CO)Oc1ccc2ccccc2c1 Amb2642901 [0,1,0,0,0,1|0,0,2]=4 4818 B16R2.5347 CCC(=O)Cc1ccc2ccccc2n1 Amb9205990 [0,1,0,0,0,1|1,0,0]=3 4819 B16R2.5347 CCC(Br)Cc1ccc2ccccc2c1 Amb18548932 [0,1,0,0,0,1|1,0,1]=4 4820 B16R2.5347 COC(=O)Cc1ccc2ccccc2c1 Amb10177537 [0,1,0,0,0,1|0,0,0]=2 4821 B16R2.5347 COC(=O)Cc1ccc2ccccc2n1 Amb9776118 [0,1,0,0,0,1|1,0,0]=3 4822 B16R2.5347 COC(=O)Cc1ccc2cccnc2c1 Amb18352983 [0,1,0,0,0,1|1,0,0]=3 4823 B16R2.5347 COC(=O)Cc1ccc2ccncc2c1 Amb19104033 [0,1,0,0,0,1|1,0,0]=3 4824 B16R2.5347 COC(=O)Cc1ccc2cnccc2c1 Amb19104035 [0,1,0,0,0,1|1,0,0]=3 4825 B16R2.5347 COC(=O)Cc1ccc2ncccc2c1 Amb2695468 [0,1,0,0,0,1|1,0,0]=3 4826 B16R2.5347 COC(=O)Cc1ccc2ncccc2n1 Amb15692773 [0,1,0,0,0,1|2,0,0]=4 4827 B16R2.5347 COC(=O)Cc1ccc2nccnc2c1 Amb19957338 [0,1,0,0,0,1|2,0,0]=4 4828 B16R2.5347 COC(=O)Cc1cnc2ccccc2c1 Amb22234026 [0,1,0,0,0,1|1,0,0]=3 4829 B16R2.5347 C[C@@H](CN)Cc1ccc2ccccc2c1 Amb33743133 [0,1,0,0,0,1|1,0,1]=4 4830 B16R2.5347 C[C@@H](CO)Cc1ccc2ccccc2c1 Amb33746681 [0,1,0,0,0,1|0,0,2]=4 4831 B16R2.5347 C[C@H](CN)Cc1ccc2ccccc2c1 Amb33740279 [0,1,0,0,0,1|1,0,1]=4 4832 B16R2.5347 C[C@H](CO)Cc1ccc2ccccc2c1 Amb33738168 [0,1,0,0,0,1|0,0,2]=4 4833 B16R2.5347 C\C(=C\c1ccc2ccccc2c1)CBr Amb28123424 [0,1,0,0,0,1|1,0,0]=3 4834 B16R2.5347 C\C(C=O)=C\c1ccc2ccccc2c1 Amb27397877 [0,1,0,0,0,1|0,0,0]=2 4835 B16R2.5347 C\C(C=O)=C\c1ccc2ccccc2n1 Amb28076581 [0,1,0,0,0,1|1,0,0]=3 4836 B16R2.5347 C\C(C=O)=C\c1cnc2ccccc2n1 Amb27646075 [0,1,0,0,0,1|2,0,0]=4 4837 B16R2.5347 NC(CO)Cc1ccc2ccccc2c1 Amb24056375 [0,1,0,0,0,1|1,0,1]=4 4838 B16R2.5347 NCC(=O)Cc1ccc2ccccc2n1 Amb33362315 [0,1,0,0,0,1|1,0,0]=3 4839 B16R2.5347 NCC(=O)NC1C=Cc2ccccc2C1 Amb31104553 [0,1,0,0,0,1|0,0,2]=4 4840 B16R2.5347 NCC(=O)Nc1ccc2ccccc2c1 Amb2099483 [0,1,0,0,0,1|0,0,0]=2 4841 B16R2.5347 NCC(=O)Nc1ccc2ccccc2c1 Amb6358196 [0,1,0,0,0,1|0,0,0]=2 4842 B16R2.5347 NCC(=O)Nc1cnc2ccccc2c1 Amb21987919 [0,1,0,0,0,1|1,0,0]=3 4843 B16R2.5347 NCC(=O)Nc1cnc2ccccc2c1 Amb33532416 [0,1,0,0,0,1|1,0,0]=3 4844 B16R2.5347 NCC(=O)Oc1ccc2ccccc2c1 Amb17337651 [0,1,0,0,0,1|0,0,0]=2 4845 B16R2.5347 NCC(=O)Oc1ccc2ncccc2c1 Amb17337737 [0,1,0,0,0,1|1,0,0]=3 4846 B16R2.5347 NCC(O)Cc1ccc2ccccc2c1 Amb33362157 [0,1,0,0,0,1|0,0,2]=4 4847 B16R2.5347 NNC(=O)Cc1ccc2ccccc2c1 Amb2612381 [0,1,0,0,0,1|1,0,0]=3 4848 B16R2.5347 NNC(=O)Cc1ccc2ncccc2c1 Amb32582515 [0,1,0,0,0,1|2,0,0]=4 4849 B16R2.5347 O=C(CBr)Cc1ccc2ccccc2c1 Amb27227080 [0,1,0,0,0,1|0,0,0]=2 4850 B16R2.5347 O=C(CBr)Nc1ccc2ncccc2c1 Amb27753209 [0,1,0,0,0,1|1,0,0]=3 4851 B16R2.5347 O=C(CBr)Nc1cnc2ccccc2c1 Amb27406327 [0,1,0,0,0,1|1,0,0]=3 4852 B16R2.5347 O=C(CCl)Cc1ccc2ccccc2c1 Amb20673439 [0,1,0,0,0,1|0,0,0]=2 4853 B16R2.5347 O=C(CCl)Nc1ccc2ccccc2c1 Amb1205262 [0,1,0,0,0,1|0,0,0]=2 4854 B16R2.5347 O=C(CCl)Nc1ccc2ncccc2c1 Amb2722149 [0,1,0,0,0,1|1,0,0]=3 4855 B16R2.5347 O=C(CCl)Nc1ccc2nccnc2c1 Amb4453921 [0,1,0,0,0,1|2,0,0]=4 4856 B16R2.5347 O=C(CCl)Nc1cnc2ccccc2c1 Amb6761714 [0,1,0,0,0,1|1,0,0]=3 4857 B16R2.5347 O=C(CO)Nc1ccc2ccccc2c1 Amb1109845 [0,1,0,0,0,1|0,0,0]=2 4858 B16R2.5347 O=C(CS)Nc1ccc2ccccc2c1 Amb1781866 [0,1,0,0,0,1|0,0,0]=2 4859 B16R2.5347 O=C(Cc1ccc2ccccc2c1)NO Amb6256867 [0,1,0,0,0,1|1,0,0]=3 4860 B16R2.6284 C=C(C(=O)O)c1ccc2ccccc2c1 Amb33172004 [0,1,0,0,0,1|1,0,0]=3 4861 B16R2.6284 C=C(C(=O)O)c1ccc2ccccc2n1 Amb33200503 [0,1,0,0,0,1|2,0,0]=4 4862 B16R2.6284 C=C(C(=O)O)c1ccc2cccnc2c1 Amb32878805 [0,1,0,0,0,1|2,0,0]=4 4863 B16R2.6284 C=C(C(=O)O)c1ccc2ncccc2c1 Amb32953738 [0,1,0,0,0,1|2,0,0]=4 4864 B16R2.6284 C=C(C(=O)O)c1cnc2ccccc2c1 Amb33323971 [0,1,0,0,0,1|2,0,0]=4 4865 B16R2.6284 CC(=O)C(Br)c1ccc2ccccc2c1 Amb31193120 [0,1,0,0,0,1|0,0,0]=2 4866 B16R2.6284 CC(Br)C(=O)c1ccc2ccccc2c1 Amb18049146 [0,1,0,0,0,1|1,0,1]=4 4867 B16R2.6284 CC(C(=O)O)c1ccc2ccccc2c1 Amb18961423 [0,1,0,0,0,1|1,0,0]=3 4868 B16R2.6284 CC(C(=O)O)c1ccc2ccccc2n1 Amb26853554 [0,1,0,0,0,1|2,0,0]=4 4869 B16R2.6284 CC(C(=O)O)c1ccc2cccnc2c1 Amb25070814 [0,1,0,0,0,1|2,0,0]=4 4870 B16R2.6284 CC(C(=O)O)c1ccc2cnccc2c1 Amb25366096 [0,1,0,0,0,1|2,0,0]=4 4871 B16R2.6284 CC(C(=O)O)c1ccc2ncccc2c1 Amb16232211 [0,1,0,0,0,1|2,0,0]=4 4872 B16R2.6284 CC(C(=O)O)c1cnc2ccccc2c1 Amb18285912 [0,1,0,0,0,1|2,0,0]=4 4873 B16R2.6284 CC(C(=O)[O-])c1ccc2ccccc2n1 Amb33378993 [0,1,0,0,0,1|2,0,0]=4 4874 B16R2.6284 CC(Cl)C(=O)c1ccc2ccccc2c1 Amb18049310 [0,1,0,0,0,1|1,0,1]=4 4875 B16R2.6284 CC(N)C(=O)c1ccc2ccccc2c1 Amb18623693 [0,1,0,0,0,1|1,0,1]=4 4876 B16R2.6284 C[C@@H](C(=O)O)c1ccc2ccccc2c1 Amb33739388 [0,1,0,0,0,1|1,0,0]=3 4877 B16R2.6284 C[C@@H](C(=O)O)c1ccc2cccnc2c1 Amb33727758 [0,1,0,0,0,1|2,0,0]=4 4878 B16R2.6284 C[C@@H](C(=O)O)c1ccc2cnccc2c1 Amb33727757 [0,1,0,0,0,1|2,0,0]=4 4879 B16R2.6284 C[C@@H](C(=O)O)c1ccc2ncccc2c1 Amb33738114 [0,1,0,0,0,1|2,0,0]=4 4880 B16R2.6284 C[C@@H](N)C(=O)c1ccc2ccccc2c1 Amb35588722 [0,1,0,0,0,1|1,0,1]=4 4881 B16R2.6284 C[C@H](C(=O)O)c1ccc2ccccc2c1 Amb33729750 [0,1,0,0,0,1|1,0,0]=3 4882 B16R2.6284 C[C@H](C(=O)O)c1ccc2cccnc2c1 Amb33749528 [0,1,0,0,0,1|2,0,0]=4 4883 B16R2.6284 C[C@H](C(=O)O)c1ccc2cnccc2c1 Amb33749531 [0,1,0,0,0,1|2,0,0]=4 4884 B16R2.6284 C[C@H](C(=O)O)c1ccc2ncccc2c1 Amb33744630 [0,1,0,0,0,1|2,0,0]=4 4885 B16R2.6284 C[C@H](N)C(=O)c1ccc2ccccc2c1 Amb35738084 [0,1,0,0,0,1|1,0,1]=4 4886 B16R2.6284 NC(=O)C(Cl)c1ccc2ccccc2c1 Amb27643061 [0,1,0,0,0,1|1,0,0]=3 4887 B16R2.6284 NC(=O)C(N)c1ccc2ccccc2c1 Amb18955262 [0,1,0,0,0,1|1,0,0]=3 4888 B16R2.6284 NC(C(=O)O)c1ccc2ccccc2c1 Amb1813708 [0,1,0,0,0,1|1,0,0]=3 4889 B16R2.6284 NC(C(=O)O)c1ccc2ccccc2c1 Amb33550772 [0,1,0,0,0,1|1,0,0]=3 4890 B16R2.6284 NC(C(=O)O)c1ccc2ccccc2n1 Amb2696722 [0,1,0,0,0,1|2,0,0]=4 4891 B16R2.6284 NC(C(=O)O)c1ccc2cccnc2c1 Amb22499292 [0,1,0,0,0,1|2,0,0]=4 4892 B16R2.6284 NC(C(=O)O)c1ccc2ncccc2c1 Amb2695626 [0,1,0,0,0,1|2,0,0]=4 4893 B16R2.6284 NC(C(=O)O)c1cnc2ccccc2c1 Amb2696721 [0,1,0,0,0,1|2,0,0]=4 4894 B16R2.6284 N[C@@H](C(=O)O)c1ccc2ccccc2c1 Amb30869525 [0,1,0,0,0,1|1,0,0]=3 4895 B16R2.6284 O=C(O)C(=O)c1ccc2ccccc2c1 Amb26856830 [0,1,0,0,0,1|1,0,0]=3 4896 B16R2.6284 O=C(O)C(=O)c1ccc2ccccc2n1 Amb33474784 [0,1,0,0,0,1|2,0,0]=4 4897 B16R2.6284 O=C(O)C(=O)c1ccc2cccnc2c1 Amb27447544 [0,1,0,0,0,1|2,0,0]=4 4898 B16R2.6284 O=C(O)C(=O)c1ccc2ncccc2c1 Amb25378573 [0,1,0,0,0,1|2,0,0]=4 4899 B16R2.6284 O=C(O)C(=O)c1cnc2ccccc2c1 Amb26508407 [0,1,0,0,0,1|2,0,0]=4 4900 B16R2.6284 O=C(O)C(Cl)c1ccc2ccccc2c1 Amb28381505 [0,1,0,0,0,1|1,0,0]=3 4901 B16R2.6284 O=C(O)C(F)c1ccc2ccccc2c1 Amb25112197 [0,1,0,0,0,1|1,0,0]=3 4902 B16R2.6284 O=C(O)C(F)c1ccc2ccccc2n1 Amb25754750 [0,1,0,0,0,1|2,0,0]=4 4903 B16R2.6284 O=C(O)C(F)c1ccc2cccnc2c1 Amb27628563 [0,1,0,0,0,1|2,0,0]=4 4904 B16R2.6284 O=C(O)C(F)c1ccc2cnccc2c1 Amb25117793 [0,1,0,0,0,1|2,0,0]=4 4905 B16R2.6284 O=C(O)C(F)c1ccc2ncccc2c1 Amb26380150 [0,1,0,0,0,1|2,0,0]=4 4906 B16R2.6284 O=C(O)C(F)c1cnc2ccccc2c1 Amb27825361 [0,1,0,0,0,1|2,0,0]=4 4907 B16R2.6284 O=C(O)C(O)c1ccc2ccccc2c1 Amb18952016 [0,1,0,0,0,1|1,0,0]=3 4908 B16R2.6284 O=C(O)C(O)c1ccc2cccnc2c1 Amb33474702 [0,1,0,0,0,1|2,0,0]=4 4909 B16R2.6284 O=C(O)C(O)c1ccc2ncccc2c1 Amb26856717 [0,1,0,0,0,1|2,0,0]=4 4910 B16R2.6284 O=C(O)C(O)c1cnc2ccccc2c1 Amb33358357 [0,1,0,0,0,1|2,0,0]=4 4911 B16R2.11975 CC(=O)Cc1ccc2ccc(Br)cc2n1 Amb17585597 [0,1,0,0,0,1|1,0,0]=3 4912 B16R2.11975 CC(=O)Cc1ccc2ccc(Cl)cc2n1 Amb17580074 [0,1,0,0,0,1|1,0,0]=3 4913 B16R2.11975 CC(=O)Cc1ccc2ccc(F)cc2n1 Amb17578984 [0,1,0,0,0,1|1,0,0]=3 4914 B16R2.11975 CC(=O)Nc1ccc2ccc(Cl)nc2n1 Amb35744383 [0,1,0,0,0,1|2,0,0]=4 4915 B16R2.11975 CC(=O)Oc1ccc2ccc(O)cc2c1 Amb28905948 [0,1,0,0,0,1|0,0,0]=2 4916 B16R2.11975 CC(=O)Oc1ccc2ncc(Br)cc2c1 Amb19895073 [0,1,0,0,0,1|1,0,0]=3 4917 B16R2.11975 CC(C)Cc1ccc2ccc(O)cc2c1 Amb32751471 [0,1,0,0,0,1|1,0,1]=4 4918 B16R2.11975 Cc1ccc2ccc(CC(=O)O)cc2n1 Amb18352890 [0,1,0,0,0,1|2,0,0]=4 4919 B16R2.11975 Cc1ccc2ncc(CC(N)=O)cc2c1 Amb20669310 [0,1,0,0,0,1|2,0,0]=4 4920 B16R2.11975 NC(=O)Cc1cnc2ccc(O)cc2c1 Amb20669299 [0,1,0,0,0,1|2,0,0]=4 4921 B16R2.11975 O=C(O)Cc1ccc2c(c1)OC(=O)C=C2 Amb33725219 [0,1,0,0,0,1|2,0,0]=4 4922 B16R2.11975 O=C(O)Cc1ccc2ccc(Cl)cc2n1 Amb17580254 [0,1,0,0,0,1|2,0,0]=4 4923 B16R2.11975 O=C(O)Cc1ccc2ccc(O)nc2c1 Amb32582510 [0,1,0,0,0,1|2,0,0]=4 4924 B16R2.11975 O=C(O)Cc1ccc2ncc(Br)cc2c1 Amb21964121 [0,1,0,0,0,1|2,0,0]=4 4925 B16R2.11988 CC(=O)Cc1ccc2cc(Br)ccc2n1 Amb17585595 [0,1,0,0,0,1|1,0,0]=3 4926 B16R2.11988 CC(=O)Cc1ccc2nc(C)ccc2c1 Amb33200637 [0,1,0,0,0,1|1,0,0]=3 4927 B16R2.11988 CC(=O)Nc1ccc2c(c1)C=CC(=O)O2 Amb18015182 [0,1,0,0,0,1|1,0,0]=3 4928 B16R2.11988 CC(=O)Nc1ccc2cc(Br)ccc2c1 Amb28398372 [0,1,0,0,0,1|0,0,0]=2 4929 B16R2.11988 CC(=O)Nc1ccc2nc(C)ccc2c1 Amb574656 [0,1,0,0,0,1|1,0,0]=3 4930 B16R2.11988 CC(C)Oc1ccc2cc(Br)ccc2c1 Amb25333824 [0,1,0,0,0,1|1,0,1]=4 4931 B16R2.11988 Cc1ccc2cc(CC(=O)O)ccc2n1 Amb19103947 [0,1,0,0,0,1|2,0,0]=4 4932 B16R2.11988 Cc1ccc2cc(CC(=O)O)cnc2c1 Amb31112281 [0,1,0,0,0,1|2,0,0]=4 4933 B16R2.11988 NC(=O)Cc1ccc2cc(N)ccc2n1 Amb18273294 [0,1,0,0,0,1|2,0,0]=4 4934 B16R2.11988 Nc1ccc2cc(CC(=O)O)ccc2n1 Amb32582504 [0,1,0,0,0,1|2,0,0]=4 4935 B16R2.11988 O=C(Cl)Nc1ccc2cc(Br)ccc2c1 Amb35633207 [0,1,0,0,0,1|1,0,0]=3 4936 B16R2.11988 O=C(Cl)Oc1ccc2cc(Br)ccc2c1 Amb27394354 [0,1,0,0,0,1|1,0,0]=3 4937 B16R2.11988 O=C(O)Cc1ccc2cc(Br)ccc2c1 Amb22234440 [0,1,0,0,0,1|1,0,0]=3 4938 B16R2.11988 O=C(O)Cc1ccc2cc(Cl)ccc2n1 Amb17108640 [0,1,0,0,0,1|2,0,0]=4 4939 B16R2.11988 O=C(O)Cc1ccc2cc(O)ccc2c1 Amb17615624 [0,1,0,0,0,1|1,0,0]=3 4940 B16R2.11988 O=C(O)Cc1ccc2nc(Cl)ccc2c1 Amb18658581 [0,1,0,0,0,1|2,0,0]=4 4941 B16R2.11988 O=C(O)Cc1ccc2nc(O)ccc2c1 Amb32582505 [0,1,0,0,0,1|2,0,0]=4 4942 B16R2.11988 O=C(O)Cc1cnc2cc(Cl)ccc2c1 Amb31181802 [0,1,0,0,0,1|2,0,0]=4 4943 B16R2.11988 O=C(O)Cc1cnc2cc(F)ccc2c1 Amb31112812 [0,1,0,0,0,1|2,0,0]=4 4944 B16R2.11988 O=[N+]([O-])Cc1ccc2cc(Br)ccc2c1 Amb15693410 [0,1,0,0,0,1|2,0,0]=4 4945 B16R2.22859 CC(C)Oc1ccc2c(N)cccc2c1 Amb31094509 [0,1,0,0,0,1|1,0,1]=4 4946 B16R2.22859 Cc1cccc2cc(CC(N)=O)cnc12 Amb20669311 [0,1,0,0,0,1|2,0,0]=4 4947 B16R2.22859 Cc1ccnc2cc(CC(=O)O)ccc12 Amb19103949 [0,1,0,0,0,1|2,0,0]=4 4948 B16R2.22859 O=C(O)Cc1ccc2c(ccc[n+]2[O-])c1 Amb22901116 [0,1,0,0,0,1|2,0,0]=4 4949 B16R2.22859 O=C(O)Cc1cnc2c(F)cccc2c1 Amb33292501 [0,1,0,0,0,1|2,0,0]=4 4950 B16R2.24933 CC(=O)CC1=Nc2ccccc2C(=O)O1 Amb22432432 [0,1,0,0,0,1|2,0,0]=4 4951 B16R2.24933 CC(=O)Cc1cc(C)c2ccccc2n1 Amb23557172 [0,1,0,0,0,1|1,0,0]=3 4952 B16R2.24933 CC(=O)Nc1cc2ccccc2c(Br)n1 Amb22372157 [0,1,0,0,0,1|1,0,0]=3 4953 B16R2.24933 CC(=O)Sc1cc(O)c2ccccc2c1 Amb33521770 [0,1,0,0,0,1|0,0,0]=2 4954 B16R2.24933 Cc1cc(CC(=O)O)nc2ccccc12 Amb4326302 [0,1,0,0,0,1|2,0,0]=4 4955 B16R2.24933 Cc1cc(CC(N)=O)cc2cccnc12 Amb19104318 [0,1,0,0,0,1|2,0,0]=4 4956 B16R2.24933 O=C(O)CC1=Cc2ccccc2C(=O)N1 Amb26304465 [0,1,0,0,0,1|2,0,0]=4 4957 B16R2.24933 O=C(O)CC1=Cc2ccccc2C(=O)O1 Amb32667375 [0,1,0,0,0,1|2,0,0]=4 4958 B16R2.24933 O=C(O)Cc1cc(F)c2ncccc2c1 Amb18352964 [0,1,0,0,0,1|2,0,0]=4 4959 B16R2.82802 CC(C)(Br)Cc1ccc2ccccc2c1 Amb18049611 [0,1,0,0,0,1|1,0,1]=4 4960 B16R2.82802 CC(C)(N)Cc1ccc2ccccc2c1 Amb10601985 [0,1,0,0,0,1|1,0,1]=4 4961 B16R2.82802 CC(C)(N)Cc1ccc2ccccc2c1 Amb19516161 [0,1,0,0,0,1|1,0,1]=4 4962 B16R2.82802 CC(C)(O)Cc1ccc2ccccc2c1 Amb30593635 [0,1,0,0,0,1|0,0,2]=4 4963 B16R2.82802 CS(=O)(=O)Nc1ccc2ccccc2c1 Amb3099082 [0,1,0,0,0,1|1,0,0]=3 4964 B16R2.82802 CS(=O)(=O)Oc1ccc2ccccc2c1 Amb8422892 [0,1,0,0,0,1|1,0,0]=3 4965 B16R2.82802 CS(=O)(=O)Oc1ccc2ncccc2c1 Amb23448884 [0,1,0,0,0,1|2,0,0]=4 4966 B16R2.82802 NS(=O)(=O)Cc1ccc2ccccc2c1 Amb32665563 [0,1,0,0,0,1|2,0,0]=4 4967 B16R2.82802 NS(=O)(=O)Oc1ccc2ccccc2c1 Amb33056288 [0,1,0,0,0,1|2,0,0]=4 4968 B16R2.82802 O=P([O-])(O)Oc1ccc2ccccc2c1 Amb22263076 [0,1,0,0,0,1|2,0,0]=4 4969 B16R2.82802 O=P([O-])(O)Oc1ccc2ccccc2c1 Amb33512749 [0,1,0,0,0,1|2,0,0]=4 4970 B16R2.82802 O=S(=O)(Cl)Cc1ccc2ccccc2c1 Amb18958499 [0,1,0,0,0,1|2,0,0]=4 4971 B16R2.82802 O=S(=O)(F)Cc1ccc2ccccc2c1 Amb32717379 [0,1,0,0,0,1|2,0,0]=4 4972 B16R2.83538 CC(=O)CN1C=Cc2ccccc2C1=O Amb19127196 [0,1,0,0,0,1|1,0,0]=3 4973 B16R2.83538 CC(=O)CN1C=Nc2ccccc2C1=O Amb19516716 [0,1,0,0,0,1|2,0,0]=4 4974 B16R2.83538 CC(=O)Nc1ccc2ccccc2c1Br Amb2610885 [0,1,0,0,0,1|0,0,0]=2 4975 B16R2.83538 CC(=O)Nc1ccc2nccnc2c1Br Amb28324730 [0,1,0,0,0,1|2,0,0]=4 4976 B16R2.83538 CC(C)Nc1ccc2ccccc2c1Br Amb27435265 [0,1,0,0,0,1|1,0,1]=4 4977 B16R2.83538 CC(C)Oc1ccc2ccccc2c1Br Amb27753530 [0,1,0,0,0,1|1,0,1]=4 4978 B16R2.83538 CC(C)Oc1ccc2ccccc2c1N Amb18054387 [0,1,0,0,0,1|1,0,1]=4 4979 B16R2.83538 Cc1c(CC(=O)O)ccc2ccccc12 Amb25324108 [0,1,0,0,0,1|1,0,0]=3 4980 B16R2.83538 NC(=O)Nc1ccc2ccccc2c1Br Amb27793776 [0,1,0,0,0,1|1,0,0]=3 4981 B16R2.83538 O=C(Cl)Nc1ccc2ccccc2c1Br Amb35633461 [0,1,0,0,0,1|1,0,0]=3 4982 B16R2.83538 O=C(Cl)Oc1ccc2ccccc2c1Br Amb27963379 [0,1,0,0,0,1|1,0,0]=3 4983 B16R2.83538 O=C(O)CN1C=Cc2ccccc2C1=O Amb18537858 [0,1,0,0,0,1|2,0,0]=4 4984 B16R2.83538 O=C(O)Cc1ccc2ccccc2c1F Amb28322090 [0,1,0,0,0,1|1,0,0]=3 4985 B16R2.126902 CC(=O)Cc1ccc2cccc(F)c2n1 Amb17578982 [0,1,0,0,0,1|1,0,0]=3 4986 B16R2.126902 CC(=O)Nc1ccc2cccc(O)c2n1 Amb4466933 [0,1,0,0,0,1|1,0,0]=3 4987 B16R2.126902 CC(=O)Nc1ccc2nccc(N)c2c1 Amb24072313 [0,1,0,0,0,1|1,0,0]=3 4988 B16R2.126902 CC(=O)Nc1ccc2ncnc(Cl)c2c1 Amb24063172 [0,1,0,0,0,1|2,0,0]=4 4989 B16R2.126902 CC(=O)Nc1ccc2ncnc(O)c2c1 Amb2610137 [0,1,0,0,0,1|2,0,0]=4 4990 B16R2.126902 CC(=O)Oc1ccc2ncnc(Cl)c2c1 Amb22234421 [0,1,0,0,0,1|2,0,0]=4 4991 B16R2.126902 CC(C)Oc1ccc2cccc(N)c2c1 Amb31094512 [0,1,0,0,0,1|1,0,1]=4 4992 B16R2.126902 CC(C)Oc1ccc2cccc(O)c2c1 Amb35745232 [0,1,0,0,0,1|1,0,1]=4 4993 B16R2.126902 Cc1cccc2ccc(CC(=O)O)nc12 Amb17108630 [0,1,0,0,0,1|2,0,0]=4 4994 B16R2.126902 Cc1ccnc2ccc(CC(=O)O)cc12 Amb19103948 [0,1,0,0,0,1|2,0,0]=4 4995 B16R2.126902 O=C(O)Cc1ccc2cccc(Br)c2n1 Amb17585860 [0,1,0,0,0,1|2,0,0]=4 4996 B16R2.126902 O=C(O)Cc1ccc2cccc(Cl)c2n1 Amb17108638 [0,1,0,0,0,1|2,0,0]=4 4997 B16R2.1229 CCC(=O)c1ccc2ccccc2c1I Amb33347070 [0,2,0,0,0,0|0,0,0]=2 4998 B16R2.1229 COC(=O)C1=CC=C2C=CC=CN2C1=O Amb18061847 [0,2,0,0,0,0|1,0,0]=3 4999 B16R2.1229 COC(=O)C1=CN=C2C=CC=CN2C1=O Amb20670020 [0,2,0,0,0,0|2,0,0]=4 5000 B16R2.1229 COC(=O)C1=CNc2ccccc2C1=O Amb22232113 [0,2,0,0,0,0|1,0,0]=3 5001 B16R2.1229 COC(=O)C1=CNc2ccncc2C1=O Amb28197154 [0,2,0,0,0,0|2,0,0]=4 5002 B16R2.1229 COC(=O)c1ccc2ccccc2c1C Amb28905896 [0,2,0,0,0,0|0,0,0]=2 5003 B16R2.1229 COC(=O)c1ccc2ccccc2c1N Amb18281257 [0,2,0,0,0,0|0,0,0]=2 5004 B16R2.1229 COC(=O)c1ccc2ccccc2c1O Amb329194 [0,2,0,0,0,0|0,0,0]=2 5005 B16R2.1229 COC(=O)c1ccc2cccnc2c1C Amb22233596 [0,2,0,0,0,0|1,0,0]=3 5006 B16R2.1229 COC(=O)c1ccc2cccnc2c1N Amb18281276 [0,2,0,0,0,0|1,0,0]=3 5007 B16R2.1229 COC(=O)c1ccc2cccnc2c1O Amb18654114 [0,2,0,0,0,0|1,0,0]=3 5008 B16R2.1229 COC(=O)c1cnc2ccccc2c1Br Amb25292358 [0,2,0,0,0,0|1,0,0]=3 5009 B16R2.1229 COC(=O)c1cnc2ccccc2c1N Amb18653822 [0,2,0,0,0,0|1,0,0]=3 5010 B16R2.1229 COC(=O)c1ncc2ccccc2c1N Amb33747117 [0,2,0,0,0,0|1,0,0]=3 5011 B16R2.1229 COC(=O)c1ncc2ccccc2c1O Amb28906266 [0,2,0,0,0,0|1,0,0]=3 5012 B16R2.1229 COC(=O)c1ncc2cccnc2c1O Amb21962781 [0,2,0,0,0,0|2,0,0]=4 5013 B16R2.1229 COC(=O)c1nnc2ccccc2c1Cl Amb19373659 [0,2,0,0,0,0|2,0,0]=4 5014 B16R2.1229 COC(=O)c1nnc2ccccc2c1N Amb33727752 [0,2,0,0,0,0|2,0,0]=4 5015 B16R2.1229 COC(=O)c1nnc2ccccc2c1O Amb21837631 [0,2,0,0,0,0|2,0,0]=4 5016 B16R2.1229 Cc1c(C(=O)CN)ccc2ccccc12 Amb28200680 [0,2,0,0,0,0|0,0,0]=2 5017 B16R2.1229 NC(CF)c1ccc2ccccc2c1O Amb33190133 [0,2,0,0,0,0|1,0,1]=4 5018 B16R2.1229 NNC(=O)c1ccc2ccccc2c1O Amb6443223 [0,2,0,0,0,0|1,0,0]=3 5019 B16R2.1229 NNC(=O)c1cnc2ccccc2c1N Amb7094224 [0,2,0,0,0,0|2,0,0]=4 5020 B16R2.1229 NNC(=O)c1ncc2ccccc2c1O Amb32686540 [0,2,0,0,0,0|2,0,0]=4 5021 B16R2.1229 O=C(CBr)c1ccc2ccccc2c1O Amb19958424 [0,2,0,0,0,0|0,0,0]=2 5022 B16R2.1229 O=C(CCl)C1=CN=C2C=CC=CN2C1=O Amb29845052 [0,2,0,0,0,0|2,0,0]=4 5023 B16R2.1229 O=C(NO)c1ccc2ccccc2c1O Amb6261987 [0,2,0,0,0,0|1,0,0]=3 5024 B16R2.3351 Cc1c([Si](C)(C)C)ccc2ccccc12 Amb28321699 [0,2,0,0,0,0|1,1,0]=4 5025 B16R2.3351 NS(=O)(=O)c1ccc2ccccc2c1Br Amb32653188 [0,2,0,0,0,0|2,0,0]=4 5026 B16R2.3351 NS(=O)(=O)c1ccc2ccccc2c1F Amb32663185 [0,2,0,0,0,0|2,0,0]=4 5027 B16R2.3351 Nc1c(S(=O)(=O)F)ccc2ccccc12 Amb33078398 [0,2,0,0,0,0|2,0,0]=4 5028 B16R2.3351 Nc1c(S(=O)(=O)O)ccc2ccccc12 Amb3940615 [0,2,0,0,0,0|2,0,0]=4 5029 B16R2.3351 O=S(=O)(Cl)c1ccc2ccccc2c1Br Amb25029876 [0,2,0,0,0,0|2,0,0]=4 5030 B16R2.3351 O=S(=O)(Cl)c1ccc2ccccc2c1F Amb24444384 [0,2,0,0,0,0|2,0,0]=4 5031 B16R2.3351 O=S(=O)(F)c1ccc2ccccc2c1Br Amb32717804 [0,2,0,0,0,0|2,0,0]=4 5032 B16R2.3351 O=S(=O)(F)c1ccc2ccccc2c1F Amb32718424 [0,2,0,0,0,0|2,0,0]=4 5033 B16R2.3351 O=S(=O)(O)c1ccc2ccccc2c1O Amb17596122 [0,2,0,0,0,0|2,0,0]=4 5034 B16R2.3351 O=S(=O)([O-])c1ccc2ccccc2c1O Amb8516724 [0,2,0,0,0,0|2,0,0]=4 5035 B16R2.6148 CC(=O)N1C=Cc2ccccc2C1C#N Amb2387119 [0,2,0,0,0,0|1,0,1]=4 5036 B16R2.6148 CNc1c(C(=O)O)cnc2ccccc12 Amb18962966 [0,2,0,0,0,0|2,0,0]=4 5037 B16R2.6148 COc1c(C(=O)O)ccc2ccccc12 Amb16244636 [0,2,0,0,0,0|1,0,0]=3 5038 B16R2.6148 COc1c(C(=O)O)ccc2ncccc12 Amb31308486 [0,2,0,0,0,0|2,0,0]=4 5039 B16R2.6148 COc1c(C(=O)O)cnc2ccccc12 Amb18962965 [0,2,0,0,0,0|2,0,0]=4 5040 B16R2.6148 COc1c(C(=O)[O-])cnc2ccccc12 Amb33330745 [0,2,0,0,0,0|2,0,0]=4 5041 B16R2.6148 NNc1c(C(=O)O)cnc2ccccc12 Amb27802811 [0,2,0,0,0,0|2,0,0]=4 5042 B16R2.6148 O=C(O)c1ccc2ccccc2c1CBr Amb18668809 [0,2,0,0,0,0|1,0,0]=3 5043 B16R2.12044 CC(=O)C1=CNc2ccc(Br)cc2C1=O Amb22753737 [0,2,0,0,0,0|1,0,0]=3 5044 B16R2.12044 CC(=O)C1=CNc2ccc(C)cc2C1=O Amb20460057 [0,2,0,0,0,0|1,0,0]=3 5045 B16R2.12044 CC(=O)C1=CNc2ccc(Cl)cc2C1=O Amb22500923 [0,2,0,0,0,0|1,0,0]=3 5046 B16R2.12044 CC(=O)C1=CNc2ccc(F)cc2C1=O Amb23571604 [0,2,0,0,0,0|1,0,0]=3 5047 B16R2.12044 CC(=O)C1=NNc2ccc(Cl)cc2C1=O Amb22325195 [0,2,0,0,0,0|2,0,0]=4 5048 B16R2.12044 CC(=O)c1cnc2ccc(Br)cc2c1Cl Amb30874081 [0,2,0,0,0,0|1,0,0]=3 5049 B16R2.12044 CC(=O)c1cnc2ccc(Br)cc2c1N Amb32652546 [0,2,0,0,0,0|1,0,0]=3 5050 B16R2.12044 CC(=O)c1cnc2ccc(Cl)cc2c1Cl Amb33481711 [0,2,0,0,0,0|1,0,0]=3 5051 B16R2.12044 CC(=O)c1cnc2ccc(Cl)cc2c1O Amb9836592 [0,2,0,0,0,0|1,0,0]=3 5052 B16R2.12044 CC(=O)c1cnc2ccc(Cl)nc2c1Cl Amb33714443 [0,2,0,0,0,0|2,0,0]=4 5053 B16R2.12044 CC(=O)c1cnc2ccc(I)cc2c1O Amb24121312 [0,2,0,0,0,0|1,0,0]=3 5054 B16R2.12044 CC(=O)c1cnc2ccc(O)nc2c1O Amb33716870 [0,2,0,0,0,0|2,0,0]=4 5055 B16R2.12044 Cc1c(C(=O)O)ccc2ccc(Cl)nc12 Amb32661512 [0,2,0,0,0,0|2,0,0]=4 5056 B16R2.12044 Cc1c(C(=O)O)cnc2ccc(Br)cc12 Amb9134329 [0,2,0,0,0,0|2,0,0]=4 5057 B16R2.12044 Cc1c(C(=O)O)cnc2ccc(Cl)cc12 Amb31097700 [0,2,0,0,0,0|2,0,0]=4 5058 B16R2.12044 Cc1c(C(=O)O)cnc2ccc(F)cc12 Amb31097699 [0,2,0,0,0,0|2,0,0]=4 5059 B16R2.12044 Cc1ccc2c(c1)C(=O)C(C(=O)O)=CN2 Amb17988237 [0,2,0,0,0,0|2,0,0]=4 5060 B16R2.12044 Cc1ccc2c(c1)C(=O)C(C(=O)O)=CO2 Amb18654441 [0,2,0,0,0,0|2,0,0]=4 5061 B16R2.12044 Cc1ccc2ccc(C(=O)O)c(O)c2c1 Amb23571666 [0,2,0,0,0,0|1,0,0]=3 5062 B16R2.12044 Cc1ccc2ccc(C(=O)O)c(O)c2n1 Amb22304691 [0,2,0,0,0,0|2,0,0]=4 5063 B16R2.12044 Cc1ccc2ncc(C(=O)O)c(C)c2c1 Amb31097693 [0,2,0,0,0,0|2,0,0]=4 5064 B16R2.12044 Cc1ccc2ncc(C(=O)O)c(N)c2c1 Amb8422607 [0,2,0,0,0,0|2,0,0]=4 5065 B16R2.12044 Cc1ccc2ncc(C(=O)O)c(O)c2c1 Amb1279985 [0,2,0,0,0,0|2,0,0]=4 5066 B16R2.12044 Nc1c(C(=O)O)cnc2ccc(Br)cc12 Amb13883983 [0,2,0,0,0,0|2,0,0]=4 5067 B16R2.12044 Nc1c(C(=O)O)cnc2ccc(Cl)cc12 Amb1971629 [0,2,0,0,0,0|2,0,0]=4 5068 B16R2.12044 Nc1c(C(=O)O)cnc2ccc(F)cc12 Amb22587175 [0,2,0,0,0,0|2,0,0]=4 5069 B16R2.12044 Nc1c(C(=O)O)cnc2ccc(F)cc12 Amb7968818 [0,2,0,0,0,0|2,0,0]=4 5070 B16R2.12044 Nc1ccc2c(c1)C(=O)C(C(=O)O)=CN2 Amb18654450 [0,2,0,0,0,0|2,0,0]=4 5071 B16R2.12044 Nc1ccc2ncc(C(=O)O)c(O)c2c1 Amb7968768 [0,2,0,0,0,0|2,0,0]=4 5072 B16R2.12044 O=C(O)C1=CNc2ccc(Br)cc2C1=O Amb18524163 [0,2,0,0,0,0|2,0,0]=4 5073 B16R2.12044 O=C(O)C1=CNc2ccc(Cl)cc2C1=O Amb17933325 [0,2,0,0,0,0|2,0,0]=4 5074 B16R2.12044 O=C(O)C1=CNc2ccc(F)cc2C1=O Amb17993349 [0,2,0,0,0,0|2,0,0]=4 5075 B16R2.12044 O=C(O)C1=CNc2ccc(I)cc2C1=O Amb18010158 [0,2,0,0,0,0|2,0,0]=4 5076 B16R2.12044 O=C(O)C1=COc2ccc(Br)cc2C1=O Amb18669177 [0,2,0,0,0,0|2,0,0]=4 5077 B16R2.12044 O=C(O)C1=COc2ccc(Cl)cc2C1=O Amb18134652 [0,2,0,0,0,0|2,0,0]=4 5078 B16R2.12044 O=C(O)C1=COc2ccc(F)cc2C1=O Amb19895406 [0,2,0,0,0,0|2,0,0]=4 5079 B16R2.12044 O=C(O)c1ccc2ccc(O)cc2c1O Amb28719992 [0,2,0,0,0,0|1,0,0]=3 5080 B16R2.12044 O=C(O)c1cnc2ccc(Br)cc2c1Br Amb22276935 [0,2,0,0,0,0|2,0,0]=4 5081 B16R2.12044 O=C(O)c1cnc2ccc(Br)cc2c1Cl Amb20248154 [0,2,0,0,0,0|2,0,0]=4 5082 B16R2.12044 O=C(O)c1cnc2ccc(Br)cc2c1O Amb1994750 [0,2,0,0,0,0|2,0,0]=4 5083 B16R2.12044 O=C(O)c1cnc2ccc(Cl)cc2c1Cl Amb20171152 [0,2,0,0,0,0|2,0,0]=4 5084 B16R2.12044 O=C(O)c1cnc2ccc(Cl)cc2c1O Amb1102384 [0,2,0,0,0,0|2,0,0]=4 5085 B16R2.12044 O=C(O)c1cnc2ccc(F)cc2c1Cl Amb2795824 [0,2,0,0,0,0|2,0,0]=4 5086 B16R2.12044 O=C(O)c1cnc2ccc(F)cc2c1O Amb1971641 [0,2,0,0,0,0|2,0,0]=4 5087 B16R2.12044 O=C(O)c1cnc2ccc(O)cc2c1O Amb21858738 [0,2,0,0,0,0|2,0,0]=4 5088 B16R2.22861 CC(=O)C1=CNc2c(C)cccc2C1=O Amb23571608 [0,2,0,0,0,0|1,0,0]=3 5089 B16R2.22861 CC(=O)C1=CNc2c(Cl)cccc2C1=O Amb23571606 [0,2,0,0,0,0|1,0,0]=3 5090 B16R2.22861 CC(=O)C1=CNc2c(F)cccc2C1=O Amb23571605 [0,2,0,0,0,0|1,0,0]=3 5091 B16R2.22861 CC(=O)C1=CNc2c(I)cccc2C1=O Amb32418592 [0,2,0,0,0,0|1,0,0]=3 5092 B16R2.22861 Cc1c(C(=O)O)cnc2c(C)cccc12 Amb9134328 [0,2,0,0,0,0|2,0,0]=4 5093 B16R2.22861 Cc1c(C(=O)O)cnc2c(Cl)cccc12 Amb31097710 [0,2,0,0,0,0|2,0,0]=4 5094 B16R2.22861 Cc1c(C(=O)O)cnc2c(F)cccc12 Amb31097711 [0,2,0,0,0,0|2,0,0]=4 5095 B16R2.22861 Cc1cccc2c(N)c(C(=O)O)cnc12 Amb13883978 [0,2,0,0,0,0|2,0,0]=4 5096 B16R2.22861 Cc1cccc2c(O)c(C(=O)O)cnc12 Amb1279983 [0,2,0,0,0,0|2,0,0]=4 5097 B16R2.22861 Cc1cccc2c1NC=C(C(=O)O)C2=O Amb17988238 [0,2,0,0,0,0|2,0,0]=4 5098 B16R2.22861 Nc1c(C(=O)O)cnc2c(Br)cccc12 Amb13883984 [0,2,0,0,0,0|2,0,0]=4 5099 B16R2.22861 Nc1c(C(=O)O)cnc2c(Cl)cccc12 Amb1971624 [0,2,0,0,0,0|2,0,0]=4 5100 B16R2.22861 Nc1c(C(=O)O)cnc2c(F)cccc12 Amb1971625 [0,2,0,0,0,0|2,0,0]=4 5101 B16R2.22861 Nc1c(C(=O)O)cnc2c(F)cccc12 Amb22587166 [0,2,0,0,0,0|2,0,0]=4 5102 B16R2.22861 Nc1cccc2c(O)c(C(=O)O)ccc12 Amb18654101 [0,2,0,0,0,0|1,0,0]=3 5103 B16R2.22861 O=C(O)C1=CNc2c(Br)cccc2C1=O Amb18011550 [0,2,0,0,0,0|2,0,0]=4 5104 B16R2.22861 O=C(O)C1=CNc2c(Cl)cccc2C1=O Amb17988240 [0,2,0,0,0,0|2,0,0]=4 5105 B16R2.22861 O=C(O)C1=CNc2c(F)cccc2C1=O Amb18372107 [0,2,0,0,0,0|2,0,0]=4 5106 B16R2.22861 O=C(O)c1cnc2c(Br)cccc2c1O Amb1994834 [0,2,0,0,0,0|2,0,0]=4 5107 B16R2.22861 O=C(O)c1cnc2c(Cl)cccc2c1Cl Amb21858694 [0,2,0,0,0,0|2,0,0]=4 5108 B16R2.22861 O=C(O)c1cnc2c(Cl)cccc2c1O Amb1994839 [0,2,0,0,0,0|2,0,0]=4 5109 B16R2.22861 O=C(O)c1cnc2c(F)cccc2c1O Amb636848 [0,2,0,0,0,0|2,0,0]=4 5110 B16R2.23331 CC(=O)C1=CC(=O)c2ccccc2C1=O Amb17595299 [0,2,0,0,0,0|0,0,0]=2 5111 B16R2.23331 CC(=O)C1NC(=O)c2ccccc2C1=O Amb30876909 [0,2,0,0,0,0|1,0,1]=4 5112 B16R2.23331 CC(=O)c1cc(Cl)c2ccccc2c1O Amb2699551 [0,2,0,0,0,0|0,0,0]=2 5113 B16R2.23331 CC(=O)c1nc(Cl)c2ccccc2c1O Amb32416939 [0,2,0,0,0,0|1,0,0]=3 5114 B16R2.23331 CC1=C(C(=O)O)NC(=O)c2ccccc21 Amb18654124 [0,2,0,0,0,0|2,0,0]=4 5115 B16R2.23331 CC1=C(C(=O)O)OC(=O)c2ccccc21 Amb18654432 [0,2,0,0,0,0|2,0,0]=4 5116 B16R2.23331 CN1C(C(=O)O)=CC(=O)c2ccccc21 Amb18547589 [0,2,0,0,0,0|2,0,0]=4 5117 B16R2.23331 CN1C=C(C(=O)O)C(=O)c2ccccc21 Amb17988447 [0,2,0,0,0,0|2,0,0]=4 5118 B16R2.23331 Cc1c(C(=O)O)cc(F)c2ncccc12 Amb33352795 [0,2,0,0,0,0|2,0,0]=4 5119 B16R2.23331 Cc1c([N+](=O)[O-])cc(Br)c2ccccc12 Amb32661705 [0,2,0,0,0,0|2,0,0]=4 5120 B16R2.23331 Cc1cc(C(=O)O)c(F)c2cccnc12 Amb33352859 [0,2,0,0,0,0|2,0,0]=4 5121 B16R2.23331 NC(=O)C1=C(O)c2ccccc2C(=O)N1 Amb30051626 [0,2,0,0,0,0|2,0,0]=4 5122 B16R2.23331 Nc1c(C(=O)O)cc(Br)c2ccccc12 Amb24503262 [0,2,0,0,0,0|1,0,0]=3 5123 B16R2.23331 Nc1c(C(=O)O)cc(Br)c2cccnc12 Amb23440625 [0,2,0,0,0,0|2,0,0]=4 5124 B16R2.23331 Nc1c(C(=O)O)cc(Br)c2cnccc12 Amb32582501 [0,2,0,0,0,0|2,0,0]=4 5125 B16R2.23331 Nc1c(C(=O)O)cc(Br)c2ncccc12 Amb23440626 [0,2,0,0,0,0|2,0,0]=4 5126 B16R2.23331 Nc1c([N+](=O)[O-])cc(Br)c2ccccc12 Amb22235140 [0,2,0,0,0,0|2,0,0]=4 5127 B16R2.23331 Nc1cc([N+](=O)[O-])c(O)c2ccccc12 Amb6297542 [0,2,0,0,0,0|2,0,0]=4 5128 B16R2.23331 O=C(O)C1=C(O)c2ccccc2C(=O)N1 Amb18654834 [0,2,0,0,0,0|2,0,0]=4 5129 B16R2.23331 O=C(O)c1cc(Br)c2ccccc2c1O Amb1265892 [0,2,0,0,0,0|1,0,0]=3 5130 B16R2.23331 O=C(O)c1cc(Br)c2cccnc2c1O Amb22755604 [0,2,0,0,0,0|2,0,0]=4 5131 B16R2.23331 O=C(O)c1cc(Cl)c2ccccc2c1O Amb33532091 [0,2,0,0,0,0|1,0,0]=3 5132 B16R2.23331 O=C(O)c1cc(Cl)c2cccnc2c1O Amb24071197 [0,2,0,0,0,0|2,0,0]=4 5133 B16R2.23331 O=C(O)c1cc(Cl)c2ncccc2c1F Amb31156555 [0,2,0,0,0,0|2,0,0]=4 5134 B16R2.23331 O=C(O)c1cc(Cl)c2ncccc2c1F Amb33098644 [0,2,0,0,0,0|2,0,0]=4 5135 B16R2.23331 O=C(O)c1cc(F)c2ncccc2c1F Amb33352940 [0,2,0,0,0,0|2,0,0]=4 5136 B16R2.23331 O=C(O)c1cc(O)c2ccccc2c1O Amb544636 [0,2,0,0,0,0|1,0,0]=3 5137 B16R2.23331 O=C(O)c1nc(Cl)c2ccccc2c1O Amb20248056 [0,2,0,0,0,0|2,0,0]=4 5138 B16R2.23372 CC(=O)C1=C(N)c2ccccc2NC1=O Amb22479158 [0,2,0,0,0,0|1,0,0]=3 5139 B16R2.23372 CC(=O)C1=C(O)c2ccccc2NC1=O Amb21933569 [0,2,0,0,0,0|1,0,0]=3 5140 B16R2.23372 CC(=O)C1=C(O)c2ccccc2OC1=O Amb19650702 [0,2,0,0,0,0|1,0,0]=3 5141 B16R2.23372 CC(=O)c1c(C)nc2ccccc2c1C Amb21963017 [0,2,0,0,0,0|1,0,0]=3 5142 B16R2.23372 CC(=O)c1c(C)nc2ccccc2c1Cl Amb17933305 [0,2,0,0,0,0|1,0,0]=3 5143 B16R2.23372 CC(=O)c1c(C)nc2ccccc2c1N Amb6332411 [0,2,0,0,0,0|1,0,0]=3 5144 B16R2.23372 CC(=O)c1c(Cl)nc2ccccc2c1Cl Amb31108379 [0,2,0,0,0,0|1,0,0]=3 5145 B16R2.23372 CC(=O)n1c(S)nc2ccccc2c1=O Amb6867201 [0,2,0,0,0,0|2,0,0]=4 5146 B16R2.23372 CC1=C(C(=O)O)C(=O)Nc2ccccc21 Amb20626168 [0,2,0,0,0,0|2,0,0]=4 5147 B16R2.23372 CC1=C(C(=O)O)C(=O)Oc2ccccc21 Amb20622509 [0,2,0,0,0,0|2,0,0]=4 5148 B16R2.23372 CC1=C(C(=O)O)C(=O)c2ccccc2N1 Amb18654127 [0,2,0,0,0,0|2,0,0]=4 5149 B16R2.23372 Cc1c(C(=O)O)c(Cl)nc2ccccc12 Amb20667641 [0,2,0,0,0,0|2,0,0]=4 5150 B16R2.23372 Cc1c(C(=O)O)c(O)nc2ccccc12 Amb20622417 [0,2,0,0,0,0|2,0,0]=4 5151 B16R2.23372 Cc1c(C(N)=O)c(N)nc2ccccc12 Amb32416177 [0,2,0,0,0,0|2,0,0]=4 5152 B16R2.23372 Cc1cc2ncccc2c(C)c1C(=O)O Amb33352900 [0,2,0,0,0,0|2,0,0]=4 5153 B16R2.23372 Cc1nc2ccccc2c(C)c1C(=O)O Amb2337230 [0,2,0,0,0,0|2,0,0]=4 5154 B16R2.23372 O=C(O)C1=C(Cl)c2ccccc2NC1=O Amb22756865 [0,2,0,0,0,0|2,0,0]=4 5155 B16R2.23372 O=C(O)C1=C(O)c2ccccc2NC1=O Amb19890034 [0,2,0,0,0,0|2,0,0]=4 5156 B16R2.23372 O=C(O)c1c(Br)cc2ccccc2c1F Amb35788997 [0,2,0,0,0,0|1,0,0]=3 5157 B16R2.23372 O=C(O)c1c(Cl)nc2ccccc2c1Cl Amb20668998 [0,2,0,0,0,0|2,0,0]=4 5158 B16R2.23372 O=C(O)c1c(F)cc2ncccc2c1F Amb33352939 [0,2,0,0,0,0|2,0,0]=4 5159 B16R2.23372 O=C(O)c1c(I)cc2ccccc2c1F Amb22547563 [0,2,0,0,0,0|1,0,0]=3 5160 B16R2.23372 O=C(O)c1c(O)cc2ccccc2c1O Amb6468070 [0,2,0,0,0,0|1,0,0]=3 5161 B16R2.127428 CC(=O)C1=CNc2cccc(Br)c2C1=O Amb32418638 [0,2,0,0,0,0|1,0,0]=3 5162 B16R2.127428 CC(=O)C1=CNc2cccc(Cl)c2C1=O Amb32418612 [0,2,0,0,0,0|1,0,0]=3 5163 B16R2.127428 CC(=O)C1=CNc2cccc(F)c2C1=O Amb32418642 [0,2,0,0,0,0|1,0,0]=3 5164 B16R2.127428 CC(=O)C1=CNc2cccc(I)c2C1=O Amb32418606 [0,2,0,0,0,0|1,0,0]=3 5165 B16R2.127428 CC(=O)c1ccc2cccc(O)c2c1O Amb17595360 [0,2,0,0,0,0|0,0,0]=2 5166 B16R2.127428 CC1=CC=CC2=CC=C(C(=O)O)C(=O)N12 Amb18062032 [0,2,0,0,0,0|2,0,0]=4 5167 B16R2.127428 O=C(O)c1ccc2cccc(O)c2c1O Amb33744145 [0,2,0,0,0,0|1,0,0]=3 5168 B16R2.133456 CC(=O)C1=CNc2cc(Cl)ccc2C1=O Amb22500921 [0,2,0,0,0,0|1,0,0]=3 5169 B16R2.133456 CC(=O)C1=CNc2cc(I)ccc2C1=O Amb32418596 [0,2,0,0,0,0|1,0,0]=3 5170 B16R2.133456 CC1=CC2=CC=C(C(=O)O)C(=O)N2C=C1 Amb18062033 [0,2,0,0,0,0|2,0,0]=4 5171 B16R2.133456 Cc1c(C(=O)O)cnc2cc(Cl)ccc12 Amb31097704 [0,2,0,0,0,0|2,0,0]=4 5172 B16R2.133456 Cc1c(C(=O)O)cnc2cc(F)ccc12 Amb31097703 [0,2,0,0,0,0|2,0,0]=4 5173 B16R2.133456 Cc1ccc2c(C)c(C(=O)O)cnc2c1 Amb31097702 [0,2,0,0,0,0|2,0,0]=4 5174 B16R2.133456 Cc1ccc2c(O)c(C(=O)O)cnc2c1 Amb33551919 [0,2,0,0,0,0|2,0,0]=4 5175 B16R2.133456 Cc1ccc2c(c1)NC=C(C(=O)O)C2=O Amb18786246 [0,2,0,0,0,0|2,0,0]=4 5176 B16R2.133456 Nc1c(C(=O)O)cnc2cc(Br)ccc12 Amb24109622 [0,2,0,0,0,0|2,0,0]=4 5177 B16R2.133456 Nc1c(C(=O)O)cnc2cc(Cl)ccc12 Amb17760353 [0,2,0,0,0,0|2,0,0]=4 5178 B16R2.133456 Nc1ccc2c(O)c(C(=O)O)cnc2c1 Amb21858741 [0,2,0,0,0,0|2,0,0]=4 5179 B16R2.133456 O=C(O)C1=CNc2cc(Br)ccc2C1=O Amb18047485 [0,2,0,0,0,0|2,0,0]=4 5180 B16R2.133456 O=C(O)C1=CNc2cc(Cl)ccc2C1=O Amb18047075 [0,2,0,0,0,0|2,0,0]=4 5181 B16R2.133456 O=C(O)C1=CNc2cc(F)ccc2C1=O Amb18547595 [0,2,0,0,0,0|2,0,0]=4 5182 B16R2.133456 O=C(O)c1cnc2cc(Cl)ccc2c1Cl Amb2795825 [0,2,0,0,0,0|2,0,0]=4 5183 B16R2.133456 O=C(O)c1cnc2cc(Cl)ccc2c1O Amb2720042 [0,2,0,0,0,0|2,0,0]=4 5184 B16R2.1612 CCc1nc2ccccc2cc1C(=O)O Amb18636619 [0,2,0,0,0,0|2,0,0]=4 5185 B16R2.1612 CCc1nc2ccccc2cc1C(=O)O Amb33339235 [0,2,0,0,0,0|2,0,0]=4 5186 B16R2.1612 CNc1nc2ccccc2cc1C(=O)O Amb27450524 [0,2,0,0,0,0|2,0,0]=4 5187 B16R2.1612 COc1cc2ccccc2cc1C(=O)Cl Amb3598174 [0,2,0,0,0,0|1,0,0]=3 5188 B16R2.1612 COc1cc2ccccc2cc1C(=O)O Amb1102775 [0,2,0,0,0,0|1,0,0]=3 5189 B16R2.1612 COc1cc2ccccc2cc1C(N)=O Amb2283897 [0,2,0,0,0,0|1,0,0]=3 5190 B16R2.1612 COc1nc2ccccc2cc1C(=O)O Amb7778339 [0,2,0,0,0,0|2,0,0]=4 5191 B16R2.1612 COc1nc2ccccc2cc1C(C)=O Amb33171606 [0,2,0,0,0,0|1,0,0]=3 5192 B16R2.3990 CC(C)(C)c1cc2ccccc2cc1O Amb32645639 [0,2,0,0,0,0|1,0,1]=4 5193 B16R2.3990 CS(=O)(=O)C1=Cc2ccccc2OC1=O Amb19667012 [0,2,0,0,0,0|2,0,0]=4 5194 B16R2.3990 O=S(=O)(Cl)c1cc2ccccc2cc1Cl Amb33299425 [0,2,0,0,0,0|2,0,0]=4 5195 B16R2.3990 O=S(=O)(O)c1cc2ccccc2cc1O Amb17596127 [0,2,0,0,0,0|2,0,0]=4 5196 B16R2.23520 CC(=O)C1=Cc2ccc(Br)cc2NC1=O Amb18528782 [0,2,0,0,0,0|1,0,0]=3 5197 B16R2.23520 CC(=O)C1=Cc2ccc(Br)cc2OC1=O Amb19815799 [0,2,0,0,0,0|1,0,0]=3 5198 B16R2.23520 CC(=O)C1=Cc2ccc(C)cc2NC1=O Amb18015668 [0,2,0,0,0,0|1,0,0]=3 5199 B16R2.23520 CC(=O)C1=Cc2ccc(C)cc2OC1=O Amb19650642 [0,2,0,0,0,0|1,0,0]=3 5200 B16R2.23520 CC(=O)C1=Cc2ccc(Cl)cc2NC1=O Amb18015675 [0,2,0,0,0,0|1,0,0]=3 5201 B16R2.23520 CC(=O)C1=Cc2ccc(F)cc2NC1=O Amb18015674 [0,2,0,0,0,0|1,0,0]=3 5202 B16R2.23520 CC(=O)C1=Cc2ccc(F)cc2OC1=O Amb32414077 [0,2,0,0,0,0|1,0,0]=3 5203 B16R2.23520 CC(=O)C1=Cc2ccc(O)cc2OC1=O Amb19517387 [0,2,0,0,0,0|1,0,0]=3 5204 B16R2.23520 CC(=O)c1cc2ccc(C)cc2nc1Cl Amb5755989 [0,2,0,0,0,0|1,0,0]=3 5205 B16R2.23520 CC(=O)c1cc2ccc(Cl)cc2nc1Cl Amb5755997 [0,2,0,0,0,0|1,0,0]=3 5206 B16R2.23520 CC(=O)c1cc2ccc(F)cc2nc1Cl Amb5755995 [0,2,0,0,0,0|1,0,0]=3 5207 B16R2.23520 Cc1cc2cc(Br)ccc2nc1C(=O)O Amb31095305 [0,2,0,0,0,0|2,0,0]=4 5208 B16R2.23520 Cc1cc2cc(Cl)ccc2nc1C(=O)O Amb31095293 [0,2,0,0,0,0|2,0,0]=4 5209 B16R2.23520 Cc1cc2cc(F)ccc2nc1C(=O)O Amb31095292 [0,2,0,0,0,0|2,0,0]=4 5210 B16R2.23520 Cc1ccc2c(c1)NC(=O)C(C(=O)O)=C2 Amb17933857 [0,2,0,0,0,0|2,0,0]=4 5211 B16R2.23520 Cc1ccc2cc(C(=O)O)c(=O)oc2c1 Amb7094313 [0,2,0,0,0,0|2,0,0]=4 5212 B16R2.23520 Cc1ccc2cc(C(=O)O)c(C)nc2c1 Amb1107298 [0,2,0,0,0,0|2,0,0]=4 5213 B16R2.23520 Cc1ccc2cc(C(=O)O)c(Cl)nc2c1 Amb2942671 [0,2,0,0,0,0|2,0,0]=4 5214 B16R2.23520 Cc1ccc2cc(C(=O)O)c(O)nc2c1 Amb8471940 [0,2,0,0,0,0|2,0,0]=4 5215 B16R2.23520 Cc1ccc2nc(C(=O)O)c(C)cc2c1 Amb31095283 [0,2,0,0,0,0|2,0,0]=4 5216 B16R2.23520 Cc1nc2cc(Br)ccc2cc1C(=O)O Amb1994794 [0,2,0,0,0,0|2,0,0]=4 5217 B16R2.23520 Cc1nc2cc(Cl)ccc2cc1C(=O)O Amb1107267 [0,2,0,0,0,0|2,0,0]=4 5218 B16R2.23520 Cc1nc2cc(F)ccc2cc1C(=O)O Amb1107266 [0,2,0,0,0,0|2,0,0]=4 5219 B16R2.23520 NC(=O)C1=Cc2ccc(O)cc2OC1=O Amb19517888 [0,2,0,0,0,0|2,0,0]=4 5220 B16R2.23520 Nc1ccc2c(c1)NC(=O)C(C(=O)O)=C2 Amb18537354 [0,2,0,0,0,0|2,0,0]=4 5221 B16R2.23520 O=C(O)C1=Cc2ccc(Br)cc2NC1=O Amb18003105 [0,2,0,0,0,0|2,0,0]=4 5222 B16R2.23520 O=C(O)C1=Cc2ccc(Br)cc2OC1=O Amb33719444 [0,2,0,0,0,0|2,0,0]=4 5223 B16R2.23520 O=C(O)C1=Cc2ccc(Cl)cc2NC1=O Amb18527840 [0,2,0,0,0,0|2,0,0]=4 5224 B16R2.23520 O=C(O)C1=Cc2ccc(F)cc2NC1=O Amb18372853 [0,2,0,0,0,0|2,0,0]=4 5225 B16R2.23520 O=C(O)C1=Cc2ccc(F)cc2OC1=O Amb22049822 [0,2,0,0,0,0|2,0,0]=4 5226 B16R2.23520 O=C(O)C1=Cc2ccc(O)cc2OC1=O Amb17999318 [0,2,0,0,0,0|2,0,0]=4 5227 B16R2.23520 O=C(O)c1cc2ccc(Cl)cc2nc1Cl Amb5745274 [0,2,0,0,0,0|2,0,0]=4 5228 B16R2.23520 O=C(O)c1cc2ccc(F)cc2nc1Cl Amb5745271 [0,2,0,0,0,0|2,0,0]=4 5229 B16R2.23520 O=C(O)c1nc2ccc(Cl)cc2cc1F Amb22547377 [0,2,0,0,0,0|2,0,0]=4 5230 B16R2.23521 CC(=O)C1=Cc2cc(Br)ccc2NC1=O Amb18528783 [0,2,0,0,0,0|1,0,0]=3 5231 B16R2.23521 CC(=O)C1=Cc2cc(Br)ccc2OC1=O Amb19519381 [0,2,0,0,0,0|1,0,0]=3 5232 B16R2.23521 CC(=O)C1=Cc2cc(C)ccc2NC1=O Amb18015669 [0,2,0,0,0,0|1,0,0]=3 5233 B16R2.23521 CC(=O)C1=Cc2cc(Cl)ccc2NC1=O Amb18015676 [0,2,0,0,0,0|1,0,0]=3 5234 B16R2.23521 CC(=O)C1=Cc2cc(Cl)ccc2OC1=O Amb19521595 [0,2,0,0,0,0|1,0,0]=3 5235 B16R2.23521 CC(=O)C1=Cc2cc(F)ccc2NC1=O Amb18013863 [0,2,0,0,0,0|1,0,0]=3 5236 B16R2.23521 CC(=O)c1cc2cc(C)ccc2nc1Cl Amb5755990 [0,2,0,0,0,0|1,0,0]=3 5237 B16R2.23521 CC(=O)c1cc2cc(Cl)ccc2nc1Cl Amb5755998 [0,2,0,0,0,0|1,0,0]=3 5238 B16R2.23521 CC(=O)c1cc2cc(F)ccc2nc1Cl Amb5755996 [0,2,0,0,0,0|1,0,0]=3 5239 B16R2.23521 CC(=O)c1nc2cc(C)ccc2nc1C Amb30982863 [0,2,0,0,0,0|2,0,0]=4 5240 B16R2.23521 Cc1cc2ccc(Cl)cc2nc1C(=O)O Amb31095297 [0,2,0,0,0,0|2,0,0]=4 5241 B16R2.23521 Cc1cc2ccc(F)cc2nc1C(=O)O Amb31095296 [0,2,0,0,0,0|2,0,0]=4 5242 B16R2.23521 Cc1ccc2c(c1)C=C(C(=O)O)C(=O)N2 Amb17933856 [0,2,0,0,0,0|2,0,0]=4 5243 B16R2.23521 Cc1ccc2c(c1)C=C(C(=O)O)C(=O)O2 Amb20257999 [0,2,0,0,0,0|2,0,0]=4 5244 B16R2.23521 Cc1ccc2cc(C)c(C(=O)O)nc2c1 Amb31095295 [0,2,0,0,0,0|2,0,0]=4 5245 B16R2.23521 Cc1ccc2nc(C)c(C(=O)O)cc2c1 Amb1107299 [0,2,0,0,0,0|2,0,0]=4 5246 B16R2.23521 Cc1ccc2nc(Cl)c(C(=O)O)cc2c1 Amb2942670 [0,2,0,0,0,0|2,0,0]=4 5247 B16R2.23521 Cc1nc2ccc(Br)cc2cc1C(=O)O Amb1994747 [0,2,0,0,0,0|2,0,0]=4 5248 B16R2.23521 Cc1nc2ccc(Cl)cc2cc1C(=O)O Amb1107268 [0,2,0,0,0,0|2,0,0]=4 5249 B16R2.23521 Cc1nc2ccc(F)cc2cc1C(=O)O Amb1270906 [0,2,0,0,0,0|2,0,0]=4 5250 B16R2.23521 Cc1nc2ccc(O)cc2cc1C(=O)O Amb32671457 [0,2,0,0,0,0|2,0,0]=4 5251 B16R2.23521 Cc1nc2ccc(O)cc2cc1C(=O)O Amb32671487 [0,2,0,0,0,0|2,0,0]=4 5252 B16R2.23521 N=C1Oc2ccc(Cl)cc2C=C1C(N)=O Amb19200867 [0,2,0,0,0,0|2,0,0]=4 5253 B16R2.23521 NC(=O)C1=Cc2cc(Br)ccc2OC1=O Amb19519447 [0,2,0,0,0,0|2,0,0]=4 5254 B16R2.23521 Nc1ccc2c(c1)C=C(C(=O)O)C(=O)N2 Amb18537337 [0,2,0,0,0,0|2,0,0]=4 5255 B16R2.23521 O=C(Cl)C1=Cc2cc(Br)ccc2OC1=O Amb19650681 [0,2,0,0,0,0|2,0,0]=4 5256 B16R2.23521 O=C(Cl)C1=Cc2cc(Cl)ccc2OC1=O Amb19650677 [0,2,0,0,0,0|2,0,0]=4 5257 B16R2.23521 O=C(O)C1=Cc2cc(Br)ccc2NC1=O Amb18003106 [0,2,0,0,0,0|2,0,0]=4 5258 B16R2.23521 O=C(O)C1=Cc2cc(Br)ccc2OC1=O Amb19113886 [0,2,0,0,0,0|2,0,0]=4 5259 B16R2.23521 O=C(O)C1=Cc2cc(Cl)ccc2NC1=O Amb18527841 [0,2,0,0,0,0|2,0,0]=4 5260 B16R2.23521 O=C(O)C1=Cc2cc(Cl)ccc2OC1=O Amb19388299 [0,2,0,0,0,0|2,0,0]=4 5261 B16R2.23521 O=C(O)C1=Cc2cc(F)ccc2NC1=O Amb18372854 [0,2,0,0,0,0|2,0,0]=4 5262 B16R2.23521 O=C(O)C1=Cc2cc(F)ccc2OC1=O Amb19375362 [0,2,0,0,0,0|2,0,0]=4 5263 B16R2.23521 O=C(O)C1=Cc2cc(O)ccc2OC1=O Amb33715889 [0,2,0,0,0,0|2,0,0]=4 5264 B16R2.23521 O=C(O)c1cc2cc(Br)ccc2cc1O Amb2778434 [0,2,0,0,0,0|1,0,0]=3 5265 B16R2.23521 O=C(O)c1cc2cc(Br)ccc2nc1Cl Amb5745279 [0,2,0,0,0,0|2,0,0]=4 5266 B16R2.23521 O=C(O)c1cc2cc(Cl)ccc2nc1Cl Amb5745275 [0,2,0,0,0,0|2,0,0]=4 5267 B16R2.23521 O=C(O)c1cc2cc(F)ccc2nc1Cl Amb5745272 [0,2,0,0,0,0|2,0,0]=4 5268 B16R2.23521 O=C(O)c1cc2cc(F)ccc2nc1O Amb33533697 [0,2,0,0,0,0|2,0,0]=4 5269 B16R2.23521 O=C(O)c1cc2cc(O)ccc2cc1O Amb3940515 [0,2,0,0,0,0|1,0,0]=3 5270 B16R2.23521 O=C(O)c1nc2cc(F)ccc2cc1F Amb22547384 [0,2,0,0,0,0|2,0,0]=4 5271 B16R2.33941 C=C(CBr)c1cc2ccccc2nc1Cl Amb33263702 [0,2,0,0,0,0|2,0,0]=4 5272 B16R2.33941 C=C(CCl)c1cc2ccccc2nc1Cl Amb33057031 [0,2,0,0,0,0|2,0,0]=4 5273 B16R2.33941 C=C(CN)c1cc2ccccc2nc1Cl Amb33057220 [0,2,0,0,0,0|2,0,0]=4 5274 B16R2.33941 C=CC(=O)c1cc2ccccc2nc1Cl Amb33058682 [0,2,0,0,0,0|1,0,1]=4 5275 B16R2.33941 CC(C=O)c1cc2ccccc2nc1Cl Amb33057595 [0,2,0,0,0,0|1,0,1]=4 5276 B16R2.33941 CCC(=O)c1cc2ccccc2cc1N Amb28197048 [0,2,0,0,0,0|0,0,0]=2 5277 B16R2.33941 COC(=O)C1=Cc2ccccc2NC1=O Amb20247345 [0,2,0,0,0,0|1,0,0]=3 5278 B16R2.33941 COC(=O)C1=Cc2ccccc2OC1=O Amb18526326 [0,2,0,0,0,0|1,0,0]=3 5279 B16R2.33941 COC(=O)c1cc2ccccc2cc1I Amb32410954 [0,2,0,0,0,0|0,0,0]=2 5280 B16R2.33941 COC(=O)c1cc2ccccc2cc1N Amb7764617 [0,2,0,0,0,0|0,0,0]=2 5281 B16R2.33941 COC(=O)c1cc2ccccc2cc1O Amb6357820 [0,2,0,0,0,0|0,0,0]=2 5282 B16R2.33941 COC(=O)c1cc2ccccc2cc1S Amb27611051 [0,2,0,0,0,0|0,0,0]=2 5283 B16R2.33941 COC(=O)c1cc2ccccc2nc1C Amb10622659 [0,2,0,0,0,0|1,0,0]=3 5284 B16R2.33941 COC(=O)c1cc2ccccc2nc1Cl Amb19373709 [0,2,0,0,0,0|1,0,0]=3 5285 B16R2.33941 COC(=O)c1cc2ccccc2nc1N Amb18653823 [0,2,0,0,0,0|1,0,0]=3 5286 B16R2.33941 COC(=O)c1cc2cccnc2nc1N Amb18654156 [0,2,0,0,0,0|2,0,0]=4 5287 B16R2.33941 COC(=O)c1cc2ccncc2nc1Cl Amb22371537 [0,2,0,0,0,0|2,0,0]=4 5288 B16R2.33941 COC(=O)c1cc2ccncc2nc1O Amb22371536 [0,2,0,0,0,0|2,0,0]=4 5289 B16R2.33941 COC(=O)c1nc2ccccc2cc1C Amb22498216 [0,2,0,0,0,0|1,0,0]=3 5290 B16R2.33941 COC(=O)c1nc2ccccc2cc1N Amb23400473 [0,2,0,0,0,0|1,0,0]=3 5291 B16R2.33941 COC(=O)c1nc2ccccc2nc1C Amb30982854 [0,2,0,0,0,0|2,0,0]=4 5292 B16R2.33941 COC(=O)c1nc2ccccc2nc1O Amb21967871 [0,2,0,0,0,0|2,0,0]=4 5293 B16R2.33941 C\C(=N/O)C1=Cc2ccccc2OC1=O Amb19667428 [0,2,0,0,0,0|1,0,1]=4 5294 B16R2.33941 Cc1nc2ccccc2nc1C(=O)CBr Amb30982875 [0,2,0,0,0,0|2,0,0]=4 5295 B16R2.33941 NCC(=O)C1=Cc2ccccc2OC1=O Amb18531767 [0,2,0,0,0,0|1,0,0]=3 5296 B16R2.33941 NCC(=O)c1cc2ccccc2nc1Cl Amb33058639 [0,2,0,0,0,0|1,0,0]=3 5297 B16R2.33941 NNC(=O)c1cc2ccccc2cc1O Amb6335202 [0,2,0,0,0,0|1,0,0]=3 5298 B16R2.33941 NNC(=O)c1cc2ccccc2nc1N Amb32421551 [0,2,0,0,0,0|2,0,0]=4 5299 B16R2.33941 O=C(CBr)C1=Cc2ccccc2OC1=O Amb18526858 [0,2,0,0,0,0|1,0,0]=3 5300 B16R2.33941 O=C(CCl)c1cc2ccccc2nc1Cl Amb33057155 [0,2,0,0,0,0|1,0,0]=3 5301 B16R2.33941 O=C(NO)c1cc2ccccc2cc1O Amb28719995 [0,2,0,0,0,0|1,0,0]=3 5302 B16R2.83668 CC1=C(C(=O)O)Oc2ccccc2C1=O Amb32429042 [0,2,0,0,0,0|2,0,0]=4 5303 B16R2.83668 CN1C(=O)C(C(=O)O)=Cc2ccccc21 Amb19516776 [0,2,0,0,0,0|2,0,0]=4 5304 B16R2.83668 CN1C(=O)c2ccccc2C=C1C(=O)O Amb18120289 [0,2,0,0,0,0|2,0,0]=4 5305 B16R2.83668 Cc1c(C(=O)O)cc2ccccc2c1N Amb22736824 [0,2,0,0,0,0|1,0,0]=3 5306 B16R2.83668 Cc1c(C(=O)O)cc2cccnc2c1F Amb33352648 [0,2,0,0,0,0|2,0,0]=4 5307 B16R2.83668 Cc1c(C(=O)O)nc2ccccc2c1O Amb20241792 [0,2,0,0,0,0|2,0,0]=4 5308 B16R2.83668 Cc1c(F)c(C(=O)O)cc2cccnc12 Amb33352912 [0,2,0,0,0,0|2,0,0]=4 5309 B16R2.83668 NC(=O)C1=C(O)C(=O)c2ccccc2N1 Amb33140927 [0,2,0,0,0,0|2,0,0]=4 5310 B16R2.83668 Nc1c(C(=O)O)cc2ccccc2c1Br Amb27652291 [0,2,0,0,0,0|1,0,0]=3 5311 B16R2.83668 O=C(O)c1cc2ccccc2c(Br)c1O Amb7807398 [0,2,0,0,0,0|1,0,0]=3 5312 B16R2.126888 CC(=O)c1cc2c(C)ccnc2nc1C Amb32671931 [0,2,0,0,0,0|2,0,0]=4 5313 B16R2.126888 Cc1cc2cccc(Br)c2nc1C(=O)O Amb31115520 [0,2,0,0,0,0|2,0,0]=4 5314 B16R2.126888 Cc1cc2cccc(C)c2nc1C(=O)O Amb31095290 [0,2,0,0,0,0|2,0,0]=4 5315 B16R2.126888 Cc1cc2cccc(Cl)c2nc1C(=O)O Amb31095303 [0,2,0,0,0,0|2,0,0]=4 5316 B16R2.126888 Cc1cc2cccc(F)c2nc1C(=O)O Amb31095304 [0,2,0,0,0,0|2,0,0]=4 5317 B16R2.126888 Cc1nc2cccc(Cl)c2cc1C(=O)O Amb32671451 [0,2,0,0,0,0|2,0,0]=4 5318 B16R2.126888 O=C(O)c1cc2c(Cl)ccnc2cc1Cl Amb22547586 [0,2,0,0,0,0|2,0,0]=4 5319 B16R2.126888 O=C(O)c1nc2c(Br)cccc2cc1F Amb22547365 [0,2,0,0,0,0|2,0,0]=4 5320 B16R2.126889 CC(=O)C1=Cc2cccc(C)c2NC1=O Amb18528778 [0,2,0,0,0,0|1,0,0]=3 5321 B16R2.126889 CC(=O)C1=Cc2cccc(C)c2OC1=O Amb20461038 [0,2,0,0,0,0|1,0,0]=3 5322 B16R2.126889 CC(=O)c1cc2cccc(C)c2nc1Cl Amb5755988 [0,2,0,0,0,0|1,0,0]=3 5323 B16R2.126889 CC(=O)c1cc2cccc(F)c2nc1C Amb32671608 [0,2,0,0,0,0|1,0,0]=3 5324 B16R2.126889 Cc1cccc2c1NC(=O)C(C(=O)O)=C2 Amb18527837 [0,2,0,0,0,0|2,0,0]=4 5325 B16R2.126889 Cc1cccc2cc(C(=O)O)c(=O)oc12 Amb7094317 [0,2,0,0,0,0|2,0,0]=4 5326 B16R2.126889 Cc1cccc2cc(C(=O)O)c(Cl)nc12 Amb33551941 [0,2,0,0,0,0|2,0,0]=4 5327 B16R2.126889 Cc1nc2c(Br)cccc2cc1C(=O)O Amb20239568 [0,2,0,0,0,0|2,0,0]=4 5328 B16R2.126889 Cc1nc2c(C)cccc2cc1C(=O)O Amb1994370 [0,2,0,0,0,0|2,0,0]=4 5329 B16R2.126889 Cc1nc2c(Cl)cccc2cc1C(=O)O Amb20000550 [0,2,0,0,0,0|2,0,0]=4 5330 B16R2.126889 Cc1nc2c(F)cccc2cc1C(=O)O Amb20239566 [0,2,0,0,0,0|2,0,0]=4 5331 B16R2.126889 Cc1nc2c(F)cccc2cc1C(=O)O Amb28872561 [0,2,0,0,0,0|2,0,0]=4 5332 B16R2.126889 O=C(O)C1=Cc2cccc(Br)c2NC1=O Amb18527845 [0,2,0,0,0,0|2,0,0]=4 5333 B16R2.126889 O=C(O)C1=Cc2cccc(Cl)c2NC1=O Amb18527839 [0,2,0,0,0,0|2,0,0]=4 5334 B16R2.126889 O=C(O)C1=Cc2cccc(F)c2NC1=O Amb18527838 [0,2,0,0,0,0|2,0,0]=4 5335 B16R2.126889 O=C(O)C1=Cc2cccc(O)c2OC1=O Amb20257994 [0,2,0,0,0,0|2,0,0]=4 5336 B16R2.126889 O=C(O)c1cc2cccc(Br)c2oc1=O Amb13881943 [0,2,0,0,0,0|2,0,0]=4 5337 B16R2.126889 O=C(O)c1cc2cccc(Cl)c2nc1Cl Amb5745273 [0,2,0,0,0,0|2,0,0]=4 5338 B16R2.126889 O=C(O)c1cc2cccc(Cl)c2oc1=O Amb13881942 [0,2,0,0,0,0|2,0,0]=4 5339 B16R2.126889 O=C(O)c1cc2cccc(F)c2nc1Cl Amb5745270 [0,2,0,0,0,0|2,0,0]=4 5340 B16R2.126889 O=C(O)c1cc2cccc(F)c2oc1=O Amb13881941 [0,2,0,0,0,0|2,0,0]=4 5341 B16R2.126889 O=C(O)c1cc2cccc(O)c2cc1O Amb533223 [0,2,0,0,0,0|1,0,0]=3 5342 B16R2.442 CCC(CC)c1ccc2ccccc2c1 Amb33715179 [0,2,0,0,0,0|1,0,1]=4 5343 B16R2.442 CNC(C#N)c1ccc2ccccc2c1 Amb7766949 [0,2,0,0,0,0|1,0,1]=4 5344 B16R2.442 CNC(CO)c1ccc2ccccc2c1 Amb18971909 [0,2,0,0,0,0|0,0,2]=4 5345 B16R2.442 COC(CN)c1ccc2ccccc2c1 Amb17605862 [0,2,0,0,0,0|0,0,2]=4 5346 B16R2.442 NCC(CO)c1ccc2ccccc2c1 Amb33362174 [0,2,0,0,0,0|0,0,2]=4 5347 B16R2.767 C#CCC(=O)c1ccc2cccnc2n1 Amb35655578 [0,2,0,0,0,0|2,0,0]=4 5348 B16R2.767 C#CCC(=O)c1ccc2nccnc2c1 Amb27880263 [0,2,0,0,0,0|2,0,0]=4 5349 B16R2.767 C#CCC(=O)c1cnc2ccccc2c1 Amb28119703 [0,2,0,0,0,0|1,0,0]=3 5350 B16R2.767 C=C(CCN)c1ccc2ccccc2c1 Amb33380783 [0,2,0,0,0,0|1,0,0]=3 5351 B16R2.767 C=C(CCN)c1ccc2ccccc2n1 Amb33201061 [0,2,0,0,0,0|2,0,0]=4 5352 B16R2.767 C=C(CCN)c1ccc2cccnc2c1 Amb32878547 [0,2,0,0,0,0|2,0,0]=4 5353 B16R2.767 C=C(CCN)c1ccc2ncccc2c1 Amb33148353 [0,2,0,0,0,0|2,0,0]=4 5354 B16R2.767 C=C(CCN)c1cnc2ccccc2c1 Amb33323240 [0,2,0,0,0,0|2,0,0]=4 5355 B16R2.767 C=CCC(=O)c1ccc2ccccc2c1 Amb19064611 [0,2,0,0,0,0|0,0,0]=2 5356 B16R2.767 C=CCC(=O)c1ccc2ccccc2n1 Amb27390507 [0,2,0,0,0,0|1,0,0]=3 5357 B16R2.767 C=CCC(=O)c1ccc2cccnc2n1 Amb35655580 [0,2,0,0,0,0|2,0,0]=4 5358 B16R2.767 CC(CCN)c1ccc2ccccc2c1 Amb18293555 [0,2,0,0,0,0|1,0,1]=4 5359 B16R2.767 CC(CON)c1ccc2ccccc2c1 Amb33362007 [0,2,0,0,0,0|0,0,2]=4 5360 B16R2.767 CC(N=C=O)c1ccc2ccccc2c1 Amb33449202 [0,2,0,0,0,0|0,0,1]=3 5361 B16R2.767 CC(N=C=O)c1ccc2ccccc2n1 Amb33201927 [0,2,0,0,0,0|1,0,1]=4 5362 B16R2.767 CC(N=C=O)c1ccc2cccnc2c1 Amb32879512 [0,2,0,0,0,0|1,0,1]=4 5363 B16R2.767 CC(N=C=O)c1ccc2ncccc2c1 Amb33143672 [0,2,0,0,0,0|1,0,1]=4 5364 B16R2.767 CC(N=C=O)c1cnc2ccccc2c1 Amb33325115 [0,2,0,0,0,0|1,0,1]=4 5365 B16R2.767 CC(NC=O)c1ccc2ccccc2c1 Amb19844263 [0,2,0,0,0,0|0,0,1]=3 5366 B16R2.767 CCCC(=O)c1ccc2ccccc2c1 Amb19067000 [0,2,0,0,0,0|0,0,0]=2 5367 B16R2.767 CCCC(=O)c1ccc2cccnc2n1 Amb35655582 [0,2,0,0,0,0|2,0,0]=4 5368 B16R2.767 CCCC(Cl)c1ccc2ccccc2c1 Amb27656977 [0,2,0,0,0,0|1,0,1]=4 5369 B16R2.767 CCOC(=N)c1ccc2ccccc2c1 Amb19056471 [0,2,0,0,0,0|1,0,0]=3 5370 B16R2.767 CCOC(=N)c1cnc2ccccc2c1 Amb27975542 [0,2,0,0,0,0|2,0,0]=4 5371 B16R2.767 CCOC(=O)C1=CNc2ccccc2S1 Amb20283033 [0,2,0,0,0,0|2,0,0]=4 5372 B16R2.767 CCOC(=O)C1=Cc2ccccc2OC1 Amb13995995 [0,2,0,0,0,0|1,0,1]=4 5373 B16R2.767 CCOC(=O)c1cc2ccccc2cn1 Amb7990136 [0,2,0,0,0,0|1,0,0]=3 5374 B16R2.767 CCOC(=O)c1cc2ccccc2nn1 Amb22903248 [0,2,0,0,0,0|2,0,0]=4 5375 B16R2.767 CCOC(=O)c1ccc2ccccc2c1 Amb2687909 [0,2,0,0,0,0|0,0,0]=2 5376 B16R2.767 CCOC(=O)c1ccc2ccccc2n1 Amb1088900 [0,2,0,0,0,0|1,0,0]=3 5377 B16R2.767 CCOC(=O)c1ccc2cccnc2n1 Amb4557916 [0,2,0,0,0,0|2,0,0]=4 5378 B16R2.767 CCOC(=O)c1ccc2ccncc2c1 Amb21857738 [0,2,0,0,0,0|1,0,0]=3 5379 B16R2.767 CCOC(=O)c1ccc2ccncc2n1 Amb22498134 [0,2,0,0,0,0|2,0,0]=4 5380 B16R2.767 CCOC(=O)c1ccc2cnccc2c1 Amb17933379 [0,2,0,0,0,0|1,0,0]=3 5381 B16R2.767 CCOC(=O)c1ccc2ncccc2c1 Amb19039734 [0,2,0,0,0,0|1,0,0]=3 5382 B16R2.767 CCOC(=O)c1ccc2nccnc2c1 Amb10069950 [0,2,0,0,0,0|2,0,0]=4 5383 B16R2.767 CCOC(=O)c1cnc2ccccc2c1 Amb2617152 [0,2,0,0,0,0|1,0,0]=3 5384 B16R2.767 CCOC(=O)c1cnc2ccccc2n1 Amb2716288 [0,2,0,0,0,0|2,0,0]=4 5385 B16R2.767 CCOC(=O)c1cnc2cccnc2c1 Amb22757404 [0,2,0,0,0,0|2,0,0]=4 5386 B16R2.767 CCOC(=O)c1cnc2cnccc2c1 Amb20241506 [0,2,0,0,0,0|2,0,0]=4 5387 B16R2.767 CCOC(=O)c1cnc2ncccc2c1 Amb34192837 [0,2,0,0,0,0|2,0,0]=4 5388 B16R2.767 CCOC(=O)c1ncc2ccccc2n1 Amb9854892 [0,2,0,0,0,0|2,0,0]=4 5389 B16R2.767 CNCC(=O)c1ccc2ccccc2c1 Amb17314279 [0,2,0,0,0,0|0,0,0]=2 5390 B16R2.767 CNCC(=O)c1ccc2ccccc2n1 Amb33474781 [0,2,0,0,0,0|1,0,0]=3 5391 B16R2.767 CNCC(=O)c1ccc2cccnc2c1 Amb24673785 [0,2,0,0,0,0|1,0,0]=3 5392 B16R2.767 CNCC(=O)c1ccc2ncccc2c1 Amb26415161 [0,2,0,0,0,0|1,0,0]=3 5393 B16R2.767 CNCC(=O)c1cnc2ccccc2c1 Amb25865618 [0,2,0,0,0,0|1,0,0]=3 5394 B16R2.767 CNCC(=O)c1cnc2ccccc2n1 Amb33449802 [0,2,0,0,0,0|2,0,0]=4 5395 B16R2.767 CNCC(O)c1ccc2ccccc2c1 Amb18970404 [0,2,0,0,0,0|0,0,2]=4 5396 B16R2.767 COCC(=O)c1ccc2ccccc2n1 Amb27590012 [0,2,0,0,0,0|1,0,0]=3 5397 B16R2.767 COCC(=O)c1ccc2cccnc2n1 Amb35655584 [0,2,0,0,0,0|2,0,0]=4 5398 B16R2.767 CONC(=O)c1ccc2ccccc2c1 Amb8231963 [0,2,0,0,0,0|0,0,0]=2 5399 B16R2.767 C\C=C\C(=O)c1ccc2ccccc2c1 Amb28192492 [0,2,0,0,0,0|0,0,0]=2 5400 B16R2.767 C\C=C\C(=O)c1ccc2ncccc2c1 Amb27977171 [0,2,0,0,0,0|1,0,0]=3 5401 B16R2.767 N#CCC(=O)c1ccc2ccccc2c1 Amb6266715 [0,2,0,0,0,0|0,0,0]=2 5402 B16R2.767 N#CCC(=O)c1ccc2ncccc2c1 Amb28906177 [0,2,0,0,0,0|1,0,0]=3 5403 B16R2.767 N#CCC(O)c1ccc2ccccc2c1 Amb18652616 [0,2,0,0,0,0|0,0,2]=4 5404 B16R2.767 NC(CCO)c1ccc2ccccc2c1 Amb1993958 [0,2,0,0,0,0|1,0,1]=4 5405 B16R2.767 NCCC(=O)c1ccc2ccccc2c1 Amb18105783 [0,2,0,0,0,0|0,0,0]=2 5406 B16R2.767 NCCC(=O)c1ccc2ccccc2n1 Amb33449784 [0,2,0,0,0,0|1,0,0]=3 5407 B16R2.767 NCCC(=O)c1ccc2cccnc2c1 Amb27216608 [0,2,0,0,0,0|1,0,0]=3 5408 B16R2.767 NCCC(=O)c1ccc2cnccc2c1 Amb27654907 [0,2,0,0,0,0|1,0,0]=3 5409 B16R2.767 NCCC(=O)c1ccc2ncccc2c1 Amb25679945 [0,2,0,0,0,0|1,0,0]=3 5410 B16R2.767 NCCC(=O)c1cnc2ccccc2c1 Amb24426688 [0,2,0,0,0,0|1,0,0]=3 5411 B16R2.767 NCCC(=O)c1cnc2ccccc2n1 Amb33377844 [0,2,0,0,0,0|2,0,0]=4 5412 B16R2.767 NCCC(F)c1ccc2ccccc2c1 Amb33449273 [0,2,0,0,0,0|1,0,1]=4 5413 B16R2.767 NCCC(O)c1ccc2ccccc2c1 Amb18105785 [0,2,0,0,0,0|0,0,2]=4 5414 B16R2.767 NCC[C@@H](O)c1ccc2ccccc2c1 Amb33362167 [0,2,0,0,0,0|0,0,2]=4 5415 B16R2.767 NCC[C@H](O)c1ccc2ccccc2c1 Amb33172385 [0,2,0,0,0,0|0,0,2]=4 5416 B16R2.767 N[C@@H](CCO)c1ccc2ccccc2c1 Amb32792648 [0,2,0,0,0,0|1,0,1]=4 5417 B16R2.767 N[C@H](CCO)c1ccc2ccccc2c1 Amb32793261 [0,2,0,0,0,0|1,0,1]=4 5418 B16R2.767 O=C(CCBr)c1ccc2ccccc2c1 Amb17437872 [0,2,0,0,0,0|0,0,0]=2 5419 B16R2.767 O=C(\C=C\Cl)c1ccc2ccccc2c1 Amb35609468 [0,2,0,0,0,0|0,0,1]=3 5420 B16R2.767 O=C(\C=C\Cl)c1ccc2ccccc2n1 Amb35645320 [0,2,0,0,0,0|1,0,1]=4 5421 B16R2.767 O=C(\C=C\Cl)c1ccc2ncccc2c1 Amb29880238 [0,2,0,0,0,0|1,0,1]=4 5422 B16R2.767 O=C(\C=C\Cl)c1cnc2ccccc2c1 Amb35628621 [0,2,0,0,0,0|1,0,1]=4 5423 B16R2.767 O=CCC(=O)c1ccc2ccccc2c1 Amb9204930 [0,2,0,0,0,0|0,0,0]=2 5424 B16R2.767 O=C\C=C(\Cl)c1ccc2ccccc2c1 Amb24523365 [0,2,0,0,0,0|1,0,0]=3 5425 B16R2.1205 COC(=O)C1=Cc2cc(Cl)ccc2OC1 Amb2424285 [0,2,0,0,0,0|1,0,1]=4 5426 B16R2.1205 COC(=O)c1cc2cc(Br)ccc2cn1 Amb23412064 [0,2,0,0,0,0|1,0,0]=3 5427 B16R2.1205 COC(=O)c1cc2cc(F)ccc2cn1 Amb23401575 [0,2,0,0,0,0|1,0,0]=3 5428 B16R2.1205 COC(=O)c1ccc2ccc(C)nc2c1 Amb18352683 [0,2,0,0,0,0|1,0,0]=3 5429 B16R2.1205 COC(=O)c1ccc2ccc(Cl)cc2n1 Amb17580252 [0,2,0,0,0,0|1,0,0]=3 5430 B16R2.1205 COC(=O)c1ccc2ccc(F)cc2n1 Amb17579096 [0,2,0,0,0,0|1,0,0]=3 5431 B16R2.1205 COC(=O)c1ccc2ccc(O)cc2c1 Amb22751762 [0,2,0,0,0,0|0,0,0]=2 5432 B16R2.1205 COC(=O)c1ccc2cnc(Cl)cc2c1 Amb22735861 [0,2,0,0,0,0|1,0,0]=3 5433 B16R2.1205 COC(=O)c1ccc2cnc(Cl)nc2c1 Amb16233492 [0,2,0,0,0,0|2,0,0]=4 5434 B16R2.1205 COC(=O)c1ccc2ncc(Br)cc2c1 Amb24183737 [0,2,0,0,0,0|1,0,0]=3 5435 B16R2.1205 COC(=O)c1ccc2ncc(Cl)nc2c1 Amb33309608 [0,2,0,0,0,0|2,0,0]=4 5436 B16R2.1205 COC(=O)c1ccc2ncc(N)cc2c1 Amb24183762 [0,2,0,0,0,0|1,0,0]=3 5437 B16R2.1205 COC(=O)c1cnc2ccc(Br)cc2c1 Amb22494703 [0,2,0,0,0,0|1,0,0]=3 5438 B16R2.1205 COC(=O)c1cnc2ccc(N)cc2c1 Amb24183733 [0,2,0,0,0,0|1,0,0]=3 5439 B16R2.1205 NNC(=O)c1cnc2ccc(Cl)cc2c1 Amb20239558 [0,2,0,0,0,0|2,0,0]=4 5440 B16R2.1205 NNC(=O)c1cnc2ccc(F)cc2c1 Amb20239605 [0,2,0,0,0,0|2,0,0]=4 5441 B16R2.1212 CNC(=O)c1ccc2cncc(Br)c2n1 Amb10605305 [0,2,0,0,0,0|2,0,0]=4 5442 B16R2.1212 COC(=O)C1=CN2C(=O)C=CN=C2C=C1 Amb22057796 [0,2,0,0,0,0|2,0,0]=4 5443 B16R2.1212 COC(=O)c1cc2c(Br)cccc2cn1 Amb23412063 [0,2,0,0,0,0|1,0,0]=3 5444 B16R2.1212 COC(=O)c1cc2c(Cl)cccc2cn1 Amb23412069 [0,2,0,0,0,0|1,0,0]=3 5445 B16R2.1212 COC(=O)c1cc2c(N)cccc2cn1 Amb24062128 [0,2,0,0,0,0|1,0,0]=3 5446 B16R2.1212 COC(=O)c1ccc2c(c1)C(=O)NC=C2 Amb19100737 [0,2,0,0,0,0|1,0,0]=3 5447 B16R2.1212 COC(=O)c1ccc2c(c1)C(=O)NC=N2 Amb30586514 [0,2,0,0,0,0|2,0,0]=4 5448 B16R2.1212 COC(=O)c1ccc2cccc(Br)c2n1 Amb17585858 [0,2,0,0,0,0|1,0,0]=3 5449 B16R2.1212 COC(=O)c1ccc2cccc(C)c2n1 Amb25033638 [0,2,0,0,0,0|1,0,0]=3 5450 B16R2.1212 COC(=O)c1ccc2cccc(Cl)c2n1 Amb17580251 [0,2,0,0,0,0|1,0,0]=3 5451 B16R2.1212 COC(=O)c1ccc2cccc(F)c2n1 Amb17579094 [0,2,0,0,0,0|1,0,0]=3 5452 B16R2.1212 COC(=O)c1ccc2cccc(N)c2n1 Amb21980371 [0,2,0,0,0,0|1,0,0]=3 5453 B16R2.1212 COC(=O)c1ccc2ccnc(Cl)c2c1 Amb19099752 [0,2,0,0,0,0|1,0,0]=3 5454 B16R2.1212 COC(=O)c1ccc2cncc(Br)c2n1 Amb28906018 [0,2,0,0,0,0|2,0,0]=4 5455 B16R2.1212 COC(=O)c1ccc2nccc(Br)c2c1 Amb22496099 [0,2,0,0,0,0|1,0,0]=3 5456 B16R2.1212 COC(=O)c1ccc2nccc(C)c2c1 Amb16202800 [0,2,0,0,0,0|1,0,0]=3 5457 B16R2.1212 COC(=O)c1ccc2nccc(Cl)c2c1 Amb22170099 [0,2,0,0,0,0|1,0,0]=3 5458 B16R2.1212 COC(=O)c1ccc2nccc(O)c2c1 Amb24098394 [0,2,0,0,0,0|1,0,0]=3 5459 B16R2.1212 COC(=O)c1ccc2ncnc(Cl)c2c1 Amb16232516 [0,2,0,0,0,0|2,0,0]=4 5460 B16R2.3864 C#CC(C)(C)c1ccc2ccccc2c1 Amb33361944 [0,2,0,0,0,0|1,0,1]=4 5461 B16R2.3864 C=CS(=O)(=O)c1ccc2ccccc2c1 Amb27861695 [0,2,0,0,0,0|1,0,1]=4 5462 B16R2.3864 CC(C)(C#N)c1ccc2ccccc2c1 Amb29758485 [0,2,0,0,0,0|1,0,1]=4 5463 B16R2.3864 CC(C)(C=O)c1ccc2ccccc2c1 Amb29758497 [0,2,0,0,0,0|0,0,1]=3 5464 B16R2.3864 CC(C)(C=O)c1ccc2ccccc2n1 Amb33449923 [0,2,0,0,0,0|1,0,1]=4 5465 B16R2.3864 CC(C)(C=O)c1ccc2cccnc2c1 Amb32879499 [0,2,0,0,0,0|1,0,1]=4 5466 B16R2.3864 CC(C)(C=O)c1ccc2ncccc2c1 Amb33143665 [0,2,0,0,0,0|1,0,1]=4 5467 B16R2.3864 CC(C)(C=O)c1cnc2ccccc2c1 Amb33325118 [0,2,0,0,0,0|1,0,1]=4 5468 B16R2.3864 CC(C)(CBr)c1ccc2ccccc2c1 Amb33240790 [0,2,0,0,0,0|1,0,1]=4 5469 B16R2.3864 CC(C)(CN)c1ccc2ccccc2c1 Amb18864248 [0,2,0,0,0,0|1,0,1]=4 5470 B16R2.3864 CC(C)(CO)c1ccc2ccccc2c1 Amb29758507 [0,2,0,0,0,0|0,0,2]=4 5471 B16R2.3864 CC(C)(ON)c1ccc2ccccc2c1 Amb33362166 [0,2,0,0,0,0|0,0,2]=4 5472 B16R2.3864 CC(N)(CO)c1ccc2ccccc2c1 Amb18951192 [0,2,0,0,0,0|0,0,2]=4 5473 B16R2.3864 CC(O)(CN)c1ccc2ccccc2c1 Amb18287326 [0,2,0,0,0,0|0,0,2]=4 5474 B16R2.3864 CNC(C)(C)c1ccc2ccccc2c1 Amb31176236 [0,2,0,0,0,0|1,0,1]=4 5475 B16R2.3864 CNS(=O)(=O)c1ccc2ccccc2c1 Amb1150538 [0,2,0,0,0,0|1,0,0]=3 5476 B16R2.3864 CNS(=O)(=O)c1ccc2ncccc2c1 Amb33358033 [0,2,0,0,0,0|2,0,0]=4 5477 B16R2.3864 CNS(=O)(=O)c1cnc2ccccc2c1 Amb33357928 [0,2,0,0,0,0|2,0,0]=4 5478 B16R2.3864 NCC(F)(F)c1ccc2ccccc2c1 Amb33338261 [0,2,0,0,0,0|1,0,1]=4 5479 B16R2.3864 NNS(=O)(=O)c1ccc2ccccc2c1 Amb6462722 [0,2,0,0,0,0|2,0,0]=4 5480 B16R2.3864 O=S(=O)(CCl)c1ccc2ccccc2c1 Amb28048639 [0,2,0,0,0,0|1,0,0]=3 5481 B16R2.3864 OCC(F)(F)c1ccc2ccccc2c1 Amb33337214 [0,2,0,0,0,0|1,0,1]=4 5482 B16R2.33799 C#CC(=O)c1ccc2cc(Br)ccc2c1 Amb27222100 [0,2,0,0,0,0|0,0,1]=3 5483 B16R2.33799 C=C(CBr)c1ccc2nc(C)ccc2c1 Amb33334225 [0,2,0,0,0,0|2,0,0]=4 5484 B16R2.33799 C=C(CCl)c1ccc2nc(C)ccc2c1 Amb33259033 [0,2,0,0,0,0|2,0,0]=4 5485 B16R2.33799 C=C(CN)c1ccc2nc(C)ccc2c1 Amb33200716 [0,2,0,0,0,0|2,0,0]=4 5486 B16R2.33799 C=CC(=O)c1ccc2nc(C)ccc2c1 Amb24567605 [0,2,0,0,0,0|1,0,1]=4 5487 B16R2.33799 CCC(=O)c1ccc2c(c1)C=CC(=O)N2 Amb18044327 [0,2,0,0,0,0|1,0,0]=3 5488 B16R2.33799 CCC(=O)c1ccc2nc(C)ccc2c1 Amb28401264 [0,2,0,0,0,0|1,0,0]=3 5489 B16R2.33799 CNC(=O)c1ccc2cc(Br)ccc2c1 Amb19958936 [0,2,0,0,0,0|0,0,0]=2 5490 B16R2.33799 COC(=O)C1C=Cc2cc(Br)ccc2O1 Amb32430403 [0,2,0,0,0,0|1,0,1]=4 5491 B16R2.33799 COC(=O)C1C=Cc2cc(C)ccc2O1 Amb32430400 [0,2,0,0,0,0|1,0,1]=4 5492 B16R2.33799 COC(=O)C1C=Cc2cc(Cl)ccc2O1 Amb32430399 [0,2,0,0,0,0|1,0,1]=4 5493 B16R2.33799 COC(=O)C1C=Cc2cc(F)ccc2O1 Amb32430401 [0,2,0,0,0,0|1,0,1]=4 5494 B16R2.33799 COC(=O)c1cc2ccc(Br)cc2cn1 Amb23412086 [0,2,0,0,0,0|1,0,0]=3 5495 B16R2.33799 COC(=O)c1cc2ccc(Cl)cc2cn1 Amb23399692 [0,2,0,0,0,0|1,0,0]=3 5496 B16R2.33799 COC(=O)c1ccc2cc(Br)ccc2c1 Amb1086780 [0,2,0,0,0,0|0,0,0]=2 5497 B16R2.33799 COC(=O)c1ccc2cc(Br)ccc2n1 Amb9767549 [0,2,0,0,0,0|1,0,0]=3 5498 B16R2.33799 COC(=O)c1ccc2cc(Cl)ncc2c1 Amb28984240 [0,2,0,0,0,0|1,0,0]=3 5499 B16R2.33799 COC(=O)c1ccc2cc(Cl)ncc2n1 Amb35750384 [0,2,0,0,0,0|2,0,0]=4 5500 B16R2.33799 COC(=O)c1ccc2cc(F)ccc2c1 Amb22234023 [0,2,0,0,0,0|0,0,0]=2 5501 B16R2.33799 COC(=O)c1ccc2cc(F)ccc2n1 Amb17579095 [0,2,0,0,0,0|1,0,0]=3 5502 B16R2.33799 COC(=O)c1ccc2cc(I)ccc2n1 Amb26466802 [0,2,0,0,0,0|1,0,0]=3 5503 B16R2.33799 COC(=O)c1ccc2cc(N)ccc2c1 Amb24325175 [0,2,0,0,0,0|0,0,0]=2 5504 B16R2.33799 COC(=O)c1ccc2cc(N)cnc2c1 Amb30625657 [0,2,0,0,0,0|1,0,0]=3 5505 B16R2.33799 COC(=O)c1ccc2cc(O)ccc2c1 Amb18653772 [0,2,0,0,0,0|0,0,0]=2 5506 B16R2.33799 COC(=O)c1ccc2cc(O)ccc2n1 Amb24183502 [0,2,0,0,0,0|1,0,0]=3 5507 B16R2.33799 COC(=O)c1ccc2cc(S)ccc2c1 Amb33456138 [0,2,0,0,0,0|0,0,0]=2 5508 B16R2.33799 COC(=O)c1ccc2nc(Br)ccc2c1 Amb23411999 [0,2,0,0,0,0|1,0,0]=3 5509 B16R2.33799 COC(=O)c1ccc2nc(C)ccc2c1 Amb4433866 [0,2,0,0,0,0|1,0,0]=3 5510 B16R2.33799 COC(=O)c1ccc2nc(Cl)ccc2c1 Amb19958130 [0,2,0,0,0,0|1,0,0]=3 5511 B16R2.33799 COC(=O)c1ccc2nc(Cl)ncc2c1 Amb21960739 [0,2,0,0,0,0|2,0,0]=4 5512 B16R2.33799 COC(=O)c1ccc2nc(N)ccc2c1 Amb24066633 [0,2,0,0,0,0|1,0,0]=3 5513 B16R2.33799 COC(=O)c1ccc2nc(O)ncc2c1 Amb30982105 [0,2,0,0,0,0|2,0,0]=4 5514 B16R2.33799 COC(=O)c1cnc2cc(Br)ccc2c1 Amb22494660 [0,2,0,0,0,0|1,0,0]=3 5515 B16R2.33799 COC(=O)c1cnc2cc(N)ccc2c1 Amb31308489 [0,2,0,0,0,0|1,0,0]=3 5516 B16R2.33799 COC(=O)c1cnc2cc(O)ccc2c1 Amb32675506 [0,2,0,0,0,0|1,0,0]=3 5517 B16R2.33799 COC(=O)c1cnc2nc(Cl)ccc2c1 Amb33483435 [0,2,0,0,0,0|2,0,0]=4 5518 B16R2.33799 COC(=O)c1cnc2nc(N)ccc2c1 Amb35788447 [0,2,0,0,0,0|2,0,0]=4 5519 B16R2.33799 Cc1ccc2cc(C(=O)CCl)ccc2n1 Amb33259029 [0,2,0,0,0,0|1,0,0]=3 5520 B16R2.33799 Cc1ccc2cc(C(=O)CN)ccc2n1 Amb25849127 [0,2,0,0,0,0|1,0,0]=3 5521 B16R2.33799 Cc1ccc2cc(C(C)C=O)ccc2n1 Amb33200720 [0,2,0,0,0,0|1,0,1]=4 5522 B16R2.33799 NNC(=O)c1ccc2cc(Br)ccc2c1 Amb22230064 [0,2,0,0,0,0|1,0,0]=3 5523 B16R2.33799 NNC(=O)c1ccc2cc(N)ccc2n1 Amb32427965 [0,2,0,0,0,0|2,0,0]=4 5524 B16R2.33799 NNC(=O)c1cnc2cc(Cl)ccc2c1 Amb20239608 [0,2,0,0,0,0|2,0,0]=4 5525 B16R2.33799 O=C(CBr)c1ccc2cc(Br)ccc2c1 Amb24358586 [0,2,0,0,0,0|0,0,0]=2 5526 B16R2.33799 O=C1C=Cc2cc(C(=O)CCl)ccc2N1 Amb18044342 [0,2,0,0,0,0|1,0,0]=3 5527 B16R2.33887 C#CC(=O)c1cc(C)c2ccccc2n1 Amb28059130 [0,2,0,0,0,0|1,0,1]=4 5528 B16R2.33887 C=C(CBr)c1cc2ccccc2c(Cl)n1 Amb33482120 [0,2,0,0,0,0|2,0,0]=4 5529 B16R2.33887 C=CC(=O)c1cc(C)c2ccccc2n1 Amb28289247 [0,2,0,0,0,0|1,0,1]=4 5530 B16R2.33887 CNC(=O)c1cc(Cl)c2ccccc2n1 Amb27162589 [0,2,0,0,0,0|1,0,0]=3 5531 B16R2.33887 COC(=O)C1=CC(=O)c2ccccc2N1 Amb20259556 [0,2,0,0,0,0|1,0,0]=3 5532 B16R2.33887 COC(=O)C1=CC(=O)c2ccccc2O1 Amb17992883 [0,2,0,0,0,0|1,0,0]=3 5533 B16R2.33887 COC(=O)C1=Cc2ccccc2C(=O)N1 Amb19373984 [0,2,0,0,0,0|1,0,0]=3 5534 B16R2.33887 COC(=O)C1=Cc2ccccc2C(=O)O1 Amb32683694 [0,2,0,0,0,0|1,0,0]=3 5535 B16R2.33887 COC(=O)C1=Cc2cccnc2C(=O)N1 Amb23559772 [0,2,0,0,0,0|2,0,0]=4 5536 B16R2.33887 COC(=O)C1=Cc2cccnc2C(=O)O1 Amb28468137 [0,2,0,0,0,0|2,0,0]=4 5537 B16R2.33887 COC(=O)C1=Cc2ccncc2C(=O)N1 Amb23559771 [0,2,0,0,0,0|2,0,0]=4 5538 B16R2.33887 COC(=O)C1=Cc2ncccc2C(=O)N1 Amb23559766 [0,2,0,0,0,0|2,0,0]=4 5539 B16R2.33887 COC(=O)c1cc(Br)c2c(c1)C=CCO2 Amb13953052 [0,2,0,0,0,0|1,0,1]=4 5540 B16R2.33887 COC(=O)c1cc(Br)c2nccnc2c1 Amb23589160 [0,2,0,0,0,0|2,0,0]=4 5541 B16R2.33887 COC(=O)c1cc(C)c2ccccc2n1 Amb18352710 [0,2,0,0,0,0|1,0,0]=3 5542 B16R2.33887 COC(=O)c1cc(Cl)c2c(c1)C=CCO2 Amb13953051 [0,2,0,0,0,0|1,0,1]=4 5543 B16R2.33887 COC(=O)c1cc(Cl)c2ccccc2n1 Amb19373674 [0,2,0,0,0,0|1,0,0]=3 5544 B16R2.33887 COC(=O)c1cc(F)c2ncccc2c1 Amb18352790 [0,2,0,0,0,0|1,0,0]=3 5545 B16R2.33887 COC(=O)c1cc(N)c2ccccc2c1 Amb32697273 [0,2,0,0,0,0|0,0,0]=2 5546 B16R2.33887 COC(=O)c1cc(N)c2ccccc2n1 Amb18653815 [0,2,0,0,0,0|1,0,0]=3 5547 B16R2.33887 COC(=O)c1cc(N)c2ccccc2n1 Amb28963762 [0,2,0,0,0,0|1,0,0]=3 5548 B16R2.33887 COC(=O)c1cc(N)c2ncccc2c1 Amb19375282 [0,2,0,0,0,0|1,0,0]=3 5549 B16R2.33887 COC(=O)c1cc(O)c2ccccc2c1 Amb18653758 [0,2,0,0,0,0|0,0,0]=2 5550 B16R2.33887 COC(=O)c1cc(O)c2ccccc2n1 Amb5718282 [0,2,0,0,0,0|1,0,0]=3 5551 B16R2.33887 COC(=O)c1cc2ccccc2c(Cl)n1 Amb6892403 [0,2,0,0,0,0|1,0,0]=3 5552 B16R2.33887 COC(=O)c1cc2cccnc2c(Cl)n1 Amb23559773 [0,2,0,0,0,0|2,0,0]=4 5553 B16R2.33887 COC(=O)c1cc2ccncc2c(Cl)n1 Amb23560773 [0,2,0,0,0,0|2,0,0]=4 5554 B16R2.33887 COC(=O)c1cc2cnccc2c(Cl)n1 Amb23559769 [0,2,0,0,0,0|2,0,0]=4 5555 B16R2.33887 COC(=O)c1cc2ncccc2c(Cl)n1 Amb23559767 [0,2,0,0,0,0|2,0,0]=4 5556 B16R2.33887 COC(=O)c1nc(Cl)c2ccccc2n1 Amb20412847 [0,2,0,0,0,0|2,0,0]=4 5557 B16R2.33887 O=C(CBr)C1=Cc2ccccc2C(=O)O1 Amb32667400 [0,2,0,0,0,0|1,0,0]=3 5558 B16R2.33887 O=C(NO)c1cc(F)c2ncccc2c1 Amb18352596 [0,2,0,0,0,0|2,0,0]=4 5559 B16R2.173132 COC(=O)c1cc2cccc(Br)c2cn1 Amb23412093 [0,2,0,0,0,0|1,0,0]=3 5560 B16R2.173132 COC(=O)c1cc2cccc(Cl)c2cn1 Amb23412067 [0,2,0,0,0,0|1,0,0]=3 5561 B16R2.173132 COC(=O)c1cc2cccc(N)c2cn1 Amb32667388 [0,2,0,0,0,0|1,0,0]=3 5562 B16R2.173132 COC(=O)c1ccc2c(Br)cccc2c1 Amb5722120 [0,2,0,0,0,0|0,0,0]=2 5563 B16R2.173132 COC(=O)c1ccc2c(Br)cccc2n1 Amb19958146 [0,2,0,0,0,0|1,0,0]=3 5564 B16R2.173132 COC(=O)c1ccc2c(Br)cncc2c1 Amb31291258 [0,2,0,0,0,0|1,0,0]=3 5565 B16R2.173132 COC(=O)c1ccc2c(C)ccnc2c1 Amb18352703 [0,2,0,0,0,0|1,0,0]=3 5566 B16R2.173132 COC(=O)c1ccc2c(Cl)ccnc2c1 Amb21857048 [0,2,0,0,0,0|1,0,0]=3 5567 B16R2.173132 COC(=O)c1ccc2c(Cl)nccc2c1 Amb19099750 [0,2,0,0,0,0|1,0,0]=3 5568 B16R2.173132 COC(=O)c1ccc2c(Cl)ncnc2c1 Amb10067707 [0,2,0,0,0,0|2,0,0]=4 5569 B16R2.173132 COC(=O)c1ccc2c(N)cccc2c1 Amb33309448 [0,2,0,0,0,0|0,0,0]=2 5570 B16R2.173132 COC(=O)c1ccc2c(N)nccc2c1 Amb28464971 [0,2,0,0,0,0|1,0,0]=3 5571 B16R2.173132 COC(=O)c1ccc2c(N)ncnc2c1 Amb33746876 [0,2,0,0,0,0|2,0,0]=4 5572 B16R2.173132 COC(=O)c1ccc2c(O)cccc2c1 Amb26304473 [0,2,0,0,0,0|0,0,0]=2 5573 B16R2.173132 COC(=O)c1ccc2c(O)ccnc2c1 Amb16233395 [0,2,0,0,0,0|1,0,0]=3 5574 B16R2.173132 COC(=O)c1ccc2c(O)ncnc2c1 Amb6572467 [0,2,0,0,0,0|2,0,0]=4 5575 B16R2.173132 COC(=O)c1ccc2c(c1)C=CNC2=N Amb30647480 [0,2,0,0,0,0|1,0,0]=3 5576 B16R2.173132 COC(=O)c1ccc2c(c1)C=CNC2=O Amb18349283 [0,2,0,0,0,0|1,0,0]=3 5577 B16R2.173132 COC(=O)c1ccc2c(c1)C=NNC2=O Amb35751644 [0,2,0,0,0,0|2,0,0]=4 5578 B16R2.173132 COC(=O)c1ccc2c(c1)N=CNC2=O Amb19548042 [0,2,0,0,0,0|2,0,0]=4 5579 B16R2.173132 COC(=O)c1ccc2c(c1)NC=CC2=O Amb21857049 [0,2,0,0,0,0|1,0,0]=3 5580 B16R2.173132 COC(=O)c1cnc2c(Cl)nccc2c1 Amb33483770 [0,2,0,0,0,0|2,0,0]=4 5581 B16R2.173132 COC(=O)c1cnc2c(N)nccc2c1 Amb33210337 [0,2,0,0,0,0|2,0,0]=4 5582 B16R2.173132 NNC(=O)c1cnc2c(Cl)cccc2c1 Amb20239535 [0,2,0,0,0,0|2,0,0]=4 5583 B16R2.11974 CS(=O)(=O)c1ccc2ncc(Br)cc2c1 Amb30594174 [0,2,0,0,0,0|2,0,0]=4 5584 B16R2.11974 CS(=O)(=O)c1ccc2ncc(N)cc2c1 Amb30633578 [0,2,0,0,0,0|2,0,0]=4 5585 B16R2.11974 Nc1ccc2ccc(S(=O)(=O)F)cc2c1 Amb33076011 [0,2,0,0,0,0|2,0,0]=4 5586 B16R2.11974 Nc1ccc2ccc(S(=O)(=O)O)cc2c1 Amb8480567 [0,2,0,0,0,0|2,0,0]=4 5587 B16R2.11974 O=S(=O)(Cl)c1ccc2ccc(Cl)cc2c1 Amb22406479 [0,2,0,0,0,0|2,0,0]=4 5588 B16R2.11974 O=S(=O)(O)c1ccc2ccc(O)cc2c1 Amb17596130 [0,2,0,0,0,0|2,0,0]=4 5589 B16R2.11974 O=S(=O)([O-])c1ccc2ccc(O)cc2c1 Amb4020668 [0,2,0,0,0,0|2,0,0]=4 5590 B16R2.11987 CC(C)(C)c1ccc2cc(O)ccc2c1 Amb8439158 [0,2,0,0,0,0|1,0,1]=4 5591 B16R2.11987 CS(=O)(=O)c1ccc2cc(Br)cnc2c1 Amb30594169 [0,2,0,0,0,0|2,0,0]=4 5592 B16R2.11987 CS(=O)(=O)c1ccc2cc(N)cnc2c1 Amb30594170 [0,2,0,0,0,0|2,0,0]=4 5593 B16R2.11987 CS(=O)(=O)c1ccc2cc(O)cnc2c1 Amb30594176 [0,2,0,0,0,0|2,0,0]=4 5594 B16R2.11987 Cc1ccc2cc(S(=O)(=O)Cl)ccc2c1 Amb22387376 [0,2,0,0,0,0|2,0,0]=4 5595 B16R2.11987 Cc1ccc2cc(S(=O)(=O)F)ccc2c1 Amb32718204 [0,2,0,0,0,0|2,0,0]=4 5596 B16R2.11987 Cc1ccc2cc(S(=O)(=O)O)ccc2c1 Amb2793028 [0,2,0,0,0,0|2,0,0]=4 5597 B16R2.11987 Cc1ccc2cc(S(N)(=O)=O)ccc2c1 Amb32663375 [0,2,0,0,0,0|2,0,0]=4 5598 B16R2.11987 NS(=O)(=O)c1ccc2cc(Br)ccc2c1 Amb32665632 [0,2,0,0,0,0|2,0,0]=4 5599 B16R2.11987 NS(=O)(=O)c1ccc2cc(Cl)ccc2c1 Amb33484151 [0,2,0,0,0,0|2,0,0]=4 5600 B16R2.11987 Nc1ccc2cc(S(=O)(=O)F)ccc2c1 Amb33076010 [0,2,0,0,0,0|2,0,0]=4 5601 B16R2.11987 Nc1ccc2cc(S(=O)(=O)O)ccc2c1 Amb4018000 [0,2,0,0,0,0|2,0,0]=4 5602 B16R2.11987 Nc1ccc2cc(S(N)(=O)=O)ccc2c1 Amb33733829 [0,2,0,0,0,0|2,0,0]=4 5603 B16R2.11987 O=S(=O)(Cl)c1ccc2cc(Br)ccc2c1 Amb26848460 [0,2,0,0,0,0|2,0,0]=4 5604 B16R2.11987 O=S(=O)(Cl)c1ccc2cc(Cl)ccc2c1 Amb8387524 [0,2,0,0,0,0|2,0,0]=4 5605 B16R2.11987 O=S(=O)(F)c1ccc2cc(Br)ccc2c1 Amb32717552 [0,2,0,0,0,0|2,0,0]=4 5606 B16R2.11987 O=S(=O)(O)c1ccc2cc(Br)ccc2c1 Amb33946876 [0,2,0,0,0,0|2,0,0]=4 5607 B16R2.11987 O=S(=O)(O)c1ccc2cc(O)ccc2c1 Amb8631755 [0,2,0,0,0,0|2,0,0]=4 5608 B16R2.11987 O=S(=O)([O-])c1ccc2cc(O)ccc2c1 Amb22002363 [0,2,0,0,0,0|2,0,0]=4 5609 B16R2.11987 O=S(=O)([O-])c1ccc2cc(O)ccc2c1 Amb2780025 [0,2,0,0,0,0|2,0,0]=4 5610 B16R2.22857 CS(=O)(=O)c1ccc2c(Br)ccnc2c1 Amb24087612 [0,2,0,0,0,0|2,0,0]=4 5611 B16R2.22857 Cc1nccc2cc(S(C)(=O)=O)ccc12 Amb32659514 [0,2,0,0,0,0|2,0,0]=4 5612 B16R2.22857 Nc1cccc2cc(S(=O)(=O)F)ccc12 Amb32684508 [0,2,0,0,0,0|2,0,0]=4 5613 B16R2.22857 Nc1cccc2cc(S(=O)(=O)F)ccc12 Amb33250406 [0,2,0,0,0,0|2,0,0]=4 5614 B16R2.22857 Nc1cccc2cc(S(=O)(=O)O)ccc12 Amb8390918 [0,2,0,0,0,0|2,0,0]=4 5615 B16R2.22857 O=S(=O)(Cl)c1ccc2c(Br)cccc2c1 Amb32410892 [0,2,0,0,0,0|2,0,0]=4 5616 B16R2.22857 O=S(=O)(O)c1ccc2c(O)cccc2c1 Amb17596123 [0,2,0,0,0,0|2,0,0]=4 5617 B16R2.24934 Cc1cc(S(C)(=N)=O)nc2ccccc12 Amb32667756 [0,2,0,0,0,0|2,0,0]=4 5618 B16R2.24934 NS(=O)(=O)c1cc(Br)c2ccccc2c1 Amb32677683 [0,2,0,0,0,0|2,0,0]=4 5619 B16R2.24934 Nc1cc(S(=O)(=O)F)cc2ccccc12 Amb33076007 [0,2,0,0,0,0|2,0,0]=4 5620 B16R2.24934 Nc1cc(S(=O)(=O)O)cc2ccccc12 Amb10812686 [0,2,0,0,0,0|2,0,0]=4 5621 B16R2.24934 O=S(=O)(Cl)c1cc(Br)c2ccccc2c1 Amb32677680 [0,2,0,0,0,0|2,0,0]=4 5622 B16R2.24934 O=S(=O)(Cl)c1cc(Cl)c2ccccc2c1 Amb20667936 [0,2,0,0,0,0|2,0,0]=4 5623 B16R2.24934 O=S(=O)(F)c1cc(Br)c2ccccc2c1 Amb32719184 [0,2,0,0,0,0|2,0,0]=4 5624 B16R2.24934 O=S(=O)(F)c1cc(Cl)c2ccccc2c1 Amb32717134 [0,2,0,0,0,0|2,0,0]=4 5625 B16R2.24934 O=S(=O)(O)c1cc(O)c2ccccc2c1 Amb8479716 [0,2,0,0,0,0|2,0,0]=4 5626 B16R2.24934 O=S(=O)([O-])c1cc(O)c2ccccc2c1 Amb22729888 [0,2,0,0,0,0|2,0,0]=4 5627 B16R2.126901 CC(C)(C)c1ccc2cccc(O)c2c1 Amb18061792 [0,2,0,0,0,0|1,0,1]=4 5628 B16R2.126901 CS(=O)(=O)c1ccc2nccc(Cl)c2c1 Amb30874103 [0,2,0,0,0,0|2,0,0]=4 5629 B16R2.126901 Nc1cccc2ccc(S(=O)(=O)F)cc12 Amb33076013 [0,2,0,0,0,0|2,0,0]=4 5630 B16R2.126901 Nc1cccc2ccc(S(=O)(=O)O)cc12 Amb2719838 [0,2,0,0,0,0|2,0,0]=4 5631 B16R2.126901 Nc1cccc2ccc(S(N)(=O)=O)cc12 Amb33742286 [0,2,0,0,0,0|2,0,0]=4 5632 B16R2.126901 O=S(=O)(O)c1ccc2cccc(O)c2c1 Amb17596124 [0,2,0,0,0,0|2,0,0]=4 5633 B16R2.3885 CC(=O)C1=Cc2cc(C)c(C)cc2OC1 Amb32756538 [0,2,0,0,0,0|1,0,1]=4 5634 B16R2.3885 CC(=O)C1=Cc2cc(Cl)c(C)cc2OC1 Amb32756619 [0,2,0,0,0,0|1,0,1]=4 5635 B16R2.3885 CC(=O)C1=Cc2cc(Cl)c(F)cc2OC1 Amb32756604 [0,2,0,0,0,0|1,0,1]=4 5636 B16R2.3885 CC(=O)C1=Cc2cc(F)c(F)cc2OC1 Amb32756602 [0,2,0,0,0,0|1,0,1]=4 5637 B16R2.3885 CC(=O)c1ccc2nc(=O)c(=O)nc2c1 Amb6248129 [0,2,0,0,0,0|2,0,0]=4 5638 B16R2.3885 Cc1cc2cc(C(=O)O)cnc2cc1C Amb1994731 [0,2,0,0,0,0|2,0,0]=4 5639 B16R2.3885 Cc1cc2ccc(C(=O)O)nc2cc1C Amb23592237 [0,2,0,0,0,0|2,0,0]=4 5640 B16R2.3885 Cc1cc2ccc(C(=O)O)nc2cc1Cl Amb25770026 [0,2,0,0,0,0|2,0,0]=4 5641 B16R2.3885 NC(=O)c1cc2cc(O)c(O)cc2cn1 Amb24062110 [0,2,0,0,0,0|2,0,0]=4 5642 B16R2.3885 NC(=O)c1ccc2cc(F)c(Cl)cc2n1 Amb17580436 [0,2,0,0,0,0|2,0,0]=4 5643 B16R2.3885 NC(=O)c1ccc2cc(F)c(F)cc2n1 Amb17579236 [0,2,0,0,0,0|2,0,0]=4 5644 B16R2.3885 O=C(O)c1ccc2cc(Br)c(Br)cc2c1 Amb22234405 [0,2,0,0,0,0|1,0,0]=3 5645 B16R2.3885 O=C(O)c1ccc2cc(Br)c(F)cc2n1 Amb27413928 [0,2,0,0,0,0|2,0,0]=4 5646 B16R2.3885 O=C(O)c1ccc2cc(Cl)c(F)cc2n1 Amb26914301 [0,2,0,0,0,0|2,0,0]=4 5647 B16R2.3885 O=C(O)c1ccc2cc(F)c(F)cc2n1 Amb17579271 [0,2,0,0,0,0|2,0,0]=4 5648 B16R2.3885 O=C(O)c1cnc2cc(Cl)c(Cl)cc2c1 Amb1994726 [0,2,0,0,0,0|2,0,0]=4 5649 B16R2.7476 CCc1ccc2c(c1)C=C(C(C)=O)CO2 Amb7094372 [0,2,0,0,0,0|1,0,1]=4 5650 B16R2.7476 CCc1ccc2ncc(C(=O)O)cc2c1 Amb1994776 [0,2,0,0,0,0|2,0,0]=4 5651 B16R2.7476 COc1ccc2c(c1)C=C(C(C)=O)CO2 Amb10975947 [0,2,0,0,0,0|1,0,1]=4 5652 B16R2.7476 COc1ccc2ccc(C(=O)O)cc2c1 Amb26304451 [0,2,0,0,0,0|1,0,0]=3 5653 B16R2.7476 COc1ccc2ccc(C(=O)O)nc2c1 Amb8389548 [0,2,0,0,0,0|2,0,0]=4 5654 B16R2.7476 COc1ccc2cnc(C(=O)O)cc2c1 Amb18786260 [0,2,0,0,0,0|2,0,0]=4 5655 B16R2.7476 COc1ccc2ncc(C(=O)O)cc2c1 Amb1994264 [0,2,0,0,0,0|2,0,0]=4 5656 B16R2.7476 COc1ccc2ncc(C(N)=O)cc2c1 Amb1994879 [0,2,0,0,0,0|2,0,0]=4 5657 B16R2.7476 O=Cc1ccc2ccc(C(=O)O)cc2n1 Amb33738183 [0,2,0,0,0,0|2,0,0]=4 5658 B16R2.11976 CC(=O)C1=Cc2c(ccc(Cl)c2F)OC1 Amb32756603 [0,2,0,0,0,0|1,0,1]=4 5659 B16R2.11976 CC(C)c1ccc2ccc(Br)c(O)c2c1 Amb18061804 [0,2,0,0,0,0|1,0,1]=4 5660 B16R2.11976 Cc1c(Cl)ccc2ccc(C(=O)O)nc12 Amb23592236 [0,2,0,0,0,0|2,0,0]=4 5661 B16R2.11976 Cc1c(F)ccc2ccc(C(=O)O)nc12 Amb27223455 [0,2,0,0,0,0|2,0,0]=4 5662 B16R2.11976 Cc1ccc2ccc(C(=O)O)nc2c1C Amb27476649 [0,2,0,0,0,0|2,0,0]=4 5663 B16R2.11976 Cc1ccc2ccc(C(=O)O)nc2c1F Amb23448924 [0,2,0,0,0,0|2,0,0]=4 5664 B16R2.11976 Cc1ccc2ccc(C(=O)O)nc2c1N Amb23592234 [0,2,0,0,0,0|2,0,0]=4 5665 B16R2.11976 Cc1ccc2ccc(C(C)C)cc2c1O Amb18063858 [0,2,0,0,0,0|1,0,1]=4 5666 B16R2.11976 Nc1c(Cl)ccc2ccc(C(=O)O)nc12 Amb32582609 [0,2,0,0,0,0|2,0,0]=4 5667 B16R2.11976 O=C(O)c1ccc2c(c1)C(=O)C(Br)=CN2 Amb30982052 [0,2,0,0,0,0|2,0,0]=4 5668 B16R2.11976 O=C(O)c1ccc2ccc(Br)c(Cl)c2n1 Amb29865424 [0,2,0,0,0,0|2,0,0]=4 5669 B16R2.11976 O=C(O)c1ccc2ccc(Br)c(F)c2n1 Amb29870004 [0,2,0,0,0,0|2,0,0]=4 5670 B16R2.11976 O=C(O)c1ccc2ccc(Cl)c(Br)c2n1 Amb28054095 [0,2,0,0,0,0|2,0,0]=4 5671 B16R2.11976 O=C(O)c1ccc2ccc(Cl)c(Cl)c2n1 Amb17582259 [0,2,0,0,0,0|2,0,0]=4 5672 B16R2.11976 O=C(O)c1ccc2ccc(F)c(Cl)c2n1 Amb30016199 [0,2,0,0,0,0|2,0,0]=4 5673 B16R2.11976 O=C(O)c1ccc2ccc(F)c(F)c2n1 Amb27449847 [0,2,0,0,0,0|2,0,0]=4 5674 B16R2.11976 O=C(O)c1ccc2ccc(F)c(I)c2n1 Amb27632183 [0,2,0,0,0,0|2,0,0]=4 5675 B16R2.11976 O=[N+]([O-])c1ccc2ccc(Br)c(O)c2c1 Amb32939763 [0,2,0,0,0,0|2,0,0]=4 5676 B16R2.26103 CC(=O)C1=Cc2cc(Br)cc(Br)c2OC1 Amb32756601 [0,2,0,0,0,0|1,0,1]=4 5677 B16R2.26103 CC(=O)C1=Cc2cc(Br)cc(C)c2OC1 Amb32756582 [0,2,0,0,0,0|1,0,1]=4 5678 B16R2.26103 CC(=O)C1=Cc2cc(Br)cc(F)c2OC1 Amb32756624 [0,2,0,0,0,0|1,0,1]=4 5679 B16R2.26103 CC(=O)C1=Cc2cc(Cl)cc(C)c2OC1 Amb32756611 [0,2,0,0,0,0|1,0,1]=4 5680 B16R2.26103 CC(=O)C1=Cc2cc(Cl)cc(Cl)c2OC1 Amb32756629 [0,2,0,0,0,0|1,0,1]=4 5681 B16R2.26103 CC(=O)C1=Cc2cc(Cl)cc(F)c2OC1 Amb32756609 [0,2,0,0,0,0|1,0,1]=4 5682 B16R2.26103 CC(=O)C1=Cc2cc(F)cc(F)c2OC1 Amb32756625 [0,2,0,0,0,0|1,0,1]=4 5683 B16R2.26103 CC(=O)c1ccc2c(Cl)cc(C)nc2c1 Amb18353484 [0,2,0,0,0,0|1,0,0]=3 5684 B16R2.26103 CC1=CC(=O)Nc2cc(C(=O)O)ccc21 Amb18654144 [0,2,0,0,0,0|2,0,0]=4 5685 B16R2.26103 Cc1cc(Br)c2ncc(C(=O)O)cc2c1 Amb20239472 [0,2,0,0,0,0|2,0,0]=4 5686 B16R2.26103 Cc1cc(C)c2ccc(C(=O)O)cc2n1 Amb1102423 [0,2,0,0,0,0|2,0,0]=4 5687 B16R2.26103 Cc1cc(C)c2ccc(C(=O)O)nc2c1 Amb26841486 [0,2,0,0,0,0|2,0,0]=4 5688 B16R2.26103 Cc1cc(C)c2ccc(C(N)=O)cc2n1 Amb19103413 [0,2,0,0,0,0|2,0,0]=4 5689 B16R2.26103 Cc1cc(C)c2ncc(C(=O)O)cc2c1 Amb1994744 [0,2,0,0,0,0|2,0,0]=4 5690 B16R2.26103 Cc1cc(Cl)c2ccc(C(=O)O)cc2n1 Amb16233394 [0,2,0,0,0,0|2,0,0]=4 5691 B16R2.26103 Cc1cc(Cl)c2ccc(C(N)=O)cc2n1 Amb18352373 [0,2,0,0,0,0|2,0,0]=4 5692 B16R2.26103 Cc1cc(Cl)cc2cc(C(=O)O)cnc12 Amb1994761 [0,2,0,0,0,0|2,0,0]=4 5693 B16R2.26103 Cc1cc(F)c2ncc(C(=O)O)cc2c1 Amb33292455 [0,2,0,0,0,0|2,0,0]=4 5694 B16R2.26103 Cc1cc(N)nc2cc(C(=O)O)ccc12 Amb18653819 [0,2,0,0,0,0|2,0,0]=4 5695 B16R2.26103 Cc1cc(O)c2ccc(C(=O)O)cc2n1 Amb857536 [0,2,0,0,0,0|2,0,0]=4 5696 B16R2.26103 NC(=O)c1ccc2c(Cl)cc(Cl)cc2n1 Amb17582138 [0,2,0,0,0,0|2,0,0]=4 5697 B16R2.26103 O=C(O)c1ccc2c(Br)cc(Br)cc2n1 Amb35721377 [0,2,0,0,0,0|2,0,0]=4 5698 B16R2.26103 O=C(O)c1ccc2c(Cl)cc(Cl)cc2n1 Amb17582258 [0,2,0,0,0,0|2,0,0]=4 5699 B16R2.26103 O=C(O)c1ccc2c(Cl)nc(Cl)cc2c1 Amb22735864 [0,2,0,0,0,0|2,0,0]=4 5700 B16R2.26103 O=C(O)c1ccc2c(I)cc(I)cc2n1 Amb35721378 [0,2,0,0,0,0|2,0,0]=4 5701 B16R2.133406 Cc1cc(C(=O)O)nc2cc(Br)ccc12 Amb32687513 [0,2,0,0,0,0|2,0,0]=4 5702 B16R2.133406 Cc1cc(C(=O)O)nc2cc(Cl)ccc12 Amb19103877 [0,2,0,0,0,0|2,0,0]=4 5703 B16R2.133406 Cc1cc(C(=O)O)nc2cc(F)ccc12 Amb31096243 [0,2,0,0,0,0|2,0,0]=4 5704 B16R2.133406 Cc1cc(C(=O)O)nc2cc(I)ccc12 Amb32687723 [0,2,0,0,0,0|2,0,0]=4 5705 B16R2.133406 Cc1ccc2c(Br)cc(C(=O)O)nc2c1 Amb31096061 [0,2,0,0,0,0|2,0,0]=4 5706 B16R2.133406 Cc1ccc2c(Br)nc(C(=O)O)cc2c1 Amb32683986 [0,2,0,0,0,0|2,0,0]=4 5707 B16R2.133406 Cc1ccc2c(C)cc(C(=O)O)nc2c1 Amb31096227 [0,2,0,0,0,0|2,0,0]=4 5708 B16R2.133406 Cc1ccc2c(C)nc(C(=O)O)cc2c1 Amb31096550 [0,2,0,0,0,0|2,0,0]=4 5709 B16R2.133406 Cc1ccc2c(Cl)cc(C(=O)O)nc2c1 Amb31095963 [0,2,0,0,0,0|2,0,0]=4 5710 B16R2.133406 Cc1ccc2c(Cl)nc(C(=O)O)cc2c1 Amb32684055 [0,2,0,0,0,0|2,0,0]=4 5711 B16R2.133406 Cc1ccc2c(O)cc(C(=O)O)cc2c1 Amb24087988 [0,2,0,0,0,0|1,0,0]=3 5712 B16R2.133406 Cc1ccc2c(O)cc(C(=O)O)nc2c1 Amb31096058 [0,2,0,0,0,0|2,0,0]=4 5713 B16R2.133406 Cc1ccc2c(c1)C=C(C(=O)O)OC2=O Amb32683890 [0,2,0,0,0,0|2,0,0]=4 5714 B16R2.133406 Cc1ccc2c(c1)OC(C(=O)O)=CC2=O Amb17996448 [0,2,0,0,0,0|2,0,0]=4 5715 B16R2.133406 O=C(O)C1=CC(=O)c2ccc(Br)cc2N1 Amb18047484 [0,2,0,0,0,0|2,0,0]=4 5716 B16R2.133406 O=C(O)C1=CC(=O)c2ccc(Br)cc2O1 Amb21811377 [0,2,0,0,0,0|2,0,0]=4 5717 B16R2.133406 O=C(O)C1=CC(=O)c2ccc(Cl)cc2N1 Amb18047090 [0,2,0,0,0,0|2,0,0]=4 5718 B16R2.133406 O=C(O)C1=CC(=O)c2ccc(Cl)cc2O1 Amb21997892 [0,2,0,0,0,0|2,0,0]=4 5719 B16R2.133406 O=C(O)C1=CC(=O)c2ccc(F)cc2N1 Amb18368660 [0,2,0,0,0,0|2,0,0]=4 5720 B16R2.133406 O=C(O)C1=CC(=O)c2ccc(F)cc2O1 Amb22304674 [0,2,0,0,0,0|2,0,0]=4 5721 B16R2.133406 O=C(O)C1=CC(=O)c2ccc(O)cc2O1 Amb18655211 [0,2,0,0,0,0|2,0,0]=4 5722 B16R2.133406 O=C(O)C1=Cc2cc(Br)ccc2C(=O)O1 Amb32683878 [0,2,0,0,0,0|2,0,0]=4 5723 B16R2.133406 O=C(O)C1=Cc2cc(Cl)ccc2C(=O)O1 Amb32683885 [0,2,0,0,0,0|2,0,0]=4 5724 B16R2.133406 O=C(O)C1=Cc2cc(F)ccc2C(=O)O1 Amb32683866 [0,2,0,0,0,0|2,0,0]=4 5725 B16R2.133406 O=C(O)c1cc(Br)c2ccc(Cl)cc2n1 Amb31096068 [0,2,0,0,0,0|2,0,0]=4 5726 B16R2.133406 O=C(O)c1cc(Br)c2ccc(F)cc2n1 Amb31096065 [0,2,0,0,0,0|2,0,0]=4 5727 B16R2.133406 O=C(O)c1cc(Cl)c2ccc(Cl)cc2n1 Amb3964688 [0,2,0,0,0,0|2,0,0]=4 5728 B16R2.133406 O=C(O)c1cc(Cl)c2ccc(F)cc2n1 Amb3964694 [0,2,0,0,0,0|2,0,0]=4 5729 B16R2.133406 O=C(O)c1cc2cc(Br)ccc2c(Br)n1 Amb32683999 [0,2,0,0,0,0|2,0,0]=4 5730 B16R2.133406 O=C(O)c1cc2cc(Br)ccc2c(Cl)n1 Amb32684097 [0,2,0,0,0,0|2,0,0]=4 5731 B16R2.133406 O=C(O)c1cc2cc(Br)ccc2c(O)n1 Amb35789032 [0,2,0,0,0,0|2,0,0]=4 5732 B16R2.133406 O=C(O)c1cc2cc(Cl)ccc2c(Br)n1 Amb32684082 [0,2,0,0,0,0|2,0,0]=4 5733 B16R2.133406 O=C(O)c1cc2cc(Cl)ccc2c(Cl)n1 Amb32684027 [0,2,0,0,0,0|2,0,0]=4 5734 B16R2.133406 O=C(O)c1cc2cc(F)ccc2c(Br)n1 Amb32684087 [0,2,0,0,0,0|2,0,0]=4 5735 B16R2.133406 O=C(O)c1cc2cc(F)ccc2c(Cl)n1 Amb32684049 [0,2,0,0,0,0|2,0,0]=4 5736 B16R2.7486 CCc1ccc2cc(C(=O)O)cnc2c1 Amb1994811 [0,2,0,0,0,0|2,0,0]=4 5737 B16R2.7486 CCc1ccc2cc(C(=O)O)ncc2c1 Amb32683984 [0,2,0,0,0,0|2,0,0]=4 5738 B16R2.7486 CCc1ccc2nc(C(=O)O)ccc2c1 Amb27466536 [0,2,0,0,0,0|2,0,0]=4 5739 B16R2.7486 CN(C)c1ccc2cc(C=O)ccc2c1 Amb2697110 [0,2,0,0,0,0|2,0,0]=4 5740 B16R2.7486 COc1ccc2c(c1)OCC(C(C)=O)=C2 Amb32756593 [0,2,0,0,0,0|1,0,1]=4 5741 B16R2.7486 COc1ccc2cc(C(=N)N)ccc2c1 Amb2696326 [0,2,0,0,0,0|2,0,0]=4 5742 B16R2.7486 COc1ccc2cc(C(=O)O)ccc2c1 Amb6356897 [0,2,0,0,0,0|1,0,0]=3 5743 B16R2.7486 COc1ccc2cc(C(=O)O)ccc2n1 Amb33742574 [0,2,0,0,0,0|2,0,0]=4 5744 B16R2.7486 COc1ccc2cc(C(=O)O)cnc2c1 Amb1994824 [0,2,0,0,0,0|2,0,0]=4 5745 B16R2.7486 COc1ccc2cc(C(=O)O)ncc2c1 Amb18786258 [0,2,0,0,0,0|2,0,0]=4 5746 B16R2.7486 COc1ccc2cc(C(C)=O)ccc2c1 Amb1233023 [0,2,0,0,0,0|0,0,0]=2 5747 B16R2.7486 COc1ccc2cc(C(C)Br)ccc2c1 Amb8835375 [0,2,0,0,0,0|1,0,1]=4 5748 B16R2.7486 COc1ccc2cc(C(C)Cl)ccc2c1 Amb7766790 [0,2,0,0,0,0|1,0,1]=4 5749 B16R2.7486 COc1ccc2cc(C(C)N)ccc2c1 Amb8503270 [0,2,0,0,0,0|1,0,1]=4 5750 B16R2.7486 COc1ccc2cc(C(C)N)ccc2c1 Amb9730715 [0,2,0,0,0,0|1,0,1]=4 5751 B16R2.7486 COc1ccc2cc(C(C)O)ccc2c1 Amb9748293 [0,2,0,0,0,0|0,0,2]=4 5752 B16R2.7486 COc1ccc2cc(C(C)S)ccc2c1 Amb7784680 [0,2,0,0,0,0|0,1,1]=4 5753 B16R2.7486 COc1ccc2cc(C(N)=S)ccc2c1 Amb1117278 [0,2,0,0,0,0|1,1,0]=4 5754 B16R2.7486 COc1ccc2cc([C@@H](C)N)ccc2c1 Amb22747713 [0,2,0,0,0,0|1,0,1]=4 5755 B16R2.7486 COc1ccc2cc([C@@H](C)O)ccc2c1 Amb33079288 [0,2,0,0,0,0|0,0,2]=4 5756 B16R2.7486 COc1ccc2cc([C@H](C)N)ccc2c1 Amb33359335 [0,2,0,0,0,0|1,0,1]=4 5757 B16R2.7486 COc1ccc2cc([C@H](C)O)ccc2c1 Amb33450191 [0,2,0,0,0,0|0,0,2]=4 5758 B16R2.7486 COc1ccc2nc(C(=O)O)ccc2c1 Amb125518 [0,2,0,0,0,0|2,0,0]=4 5759 B16R2.7486 COc1ccc2nc(C(N)=O)ccc2c1 Amb17578952 [0,2,0,0,0,0|2,0,0]=4 5760 B16R2.7486 N#Cc1ccc2cc(C(=O)O)ccc2c1 Amb18652557 [0,2,0,0,0,0|1,0,0]=3 5761 B16R2.7486 NCc1ccc2cc(C(=O)O)ccc2c1 Amb33330642 [0,2,0,0,0,0|1,0,0]=3 5762 B16R2.7486 NCc1ccc2cc(C(=O)O)ccc2c1 Amb33482867 [0,2,0,0,0,0|1,0,0]=3 5763 B16R2.7486 NCc1ccc2cc(C(=O)O)ccc2n1 Amb33035790 [0,2,0,0,0,0|2,0,0]=4 5764 B16R2.7486 NCc1ccc2nc(C(=O)O)ccc2c1 Amb32582737 [0,2,0,0,0,0|2,0,0]=4 5765 B16R2.7486 O=Cc1ccc2cc(C(=O)O)ccc2c1 Amb18653187 [0,2,0,0,0,0|1,0,0]=3 5766 B16R2.7486 O=Cc1ccc2cc(C(=O)O)ccc2n1 Amb3931331 [0,2,0,0,0,0|2,0,0]=4 5767 B16R2.11989 CC(=O)C1=Cc2ccc(F)c(F)c2OC1 Amb32756622 [0,2,0,0,0,0|1,0,1]=4 5768 B16R2.11989 CN1C(=O)C=Cc2cc(C(=O)O)ccc21 Amb34914079 [0,2,0,0,0,0|2,0,0]=4 5769 B16R2.11989 Cc1c(Br)ccc2cc(C(=O)O)cnc12 Amb10241023 [0,2,0,0,0,0|2,0,0]=4 5770 B16R2.11989 Cc1c(Cl)ccc2cc(C(=O)O)cnc12 Amb1994808 [0,2,0,0,0,0|2,0,0]=4 5771 B16R2.11989 Cc1ccc2cc(C(=O)O)cnc2c1C Amb1994792 [0,2,0,0,0,0|2,0,0]=4 5772 B16R2.11989 Cc1ccc2nc(C(=O)O)ccc2c1N Amb32582608 [0,2,0,0,0,0|2,0,0]=4 5773 B16R2.11989 Nc1c(Br)ccc2nc(C(=O)O)ccc12 Amb32429758 [0,2,0,0,0,0|2,0,0]=4 5774 B16R2.11989 Nc1c(Cl)ccc2nc(C(=O)O)ccc12 Amb32582607 [0,2,0,0,0,0|2,0,0]=4 5775 B16R2.11989 Nc1ccc2nc(C(=O)O)ccc2c1N Amb32427962 [0,2,0,0,0,0|2,0,0]=4 5776 B16R2.11989 O=C(O)c1cc2ccc(O)c(O)c2cn1 Amb18783626 [0,2,0,0,0,0|2,0,0]=4 5777 B16R2.11989 O=C(O)c1cnc2c(F)c(F)ccc2c1 Amb24183765 [0,2,0,0,0,0|2,0,0]=4 5778 B16R2.23501 CC(=O)C1=Cc2ccc(F)cc2C(=O)O1 Amb32414089 [0,2,0,0,0,0|1,0,0]=3 5779 B16R2.23501 CC(=O)c1cc(Br)c2c(c1)C=CC(=O)N2 Amb18044330 [0,2,0,0,0,0|1,0,0]=3 5780 B16R2.23501 CC(=O)c1cc(C)c2c(c1)C=CC(=O)N2 Amb18545811 [0,2,0,0,0,0|1,0,0]=3 5781 B16R2.23501 CC(=O)c1cc(C)c2cc(Cl)ccc2n1 Amb18353463 [0,2,0,0,0,0|1,0,0]=3 5782 B16R2.23501 CC(=O)c1cc(C)c2cc(I)ccc2n1 Amb19104871 [0,2,0,0,0,0|1,0,0]=3 5783 B16R2.23501 CC(=O)c1cc(C)c2nc(C)ccc2c1 Amb19104820 [0,2,0,0,0,0|1,0,0]=3 5784 B16R2.23501 CC(=O)c1cc(Cl)c2c(c1)C=CC(=O)N2 Amb18044320 [0,2,0,0,0,0|1,0,0]=3 5785 B16R2.23501 CC(=O)c1cc(F)c2c(c1)C=CC(=O)N2 Amb18044324 [0,2,0,0,0,0|1,0,0]=3 5786 B16R2.23501 Cc1cc(C(=O)O)cc2c1NC(=O)C=C2 Amb18546010 [0,2,0,0,0,0|2,0,0]=4 5787 B16R2.23501 Cc1cc(C(=O)O)nc2ccc(Br)cc12 Amb31096324 [0,2,0,0,0,0|2,0,0]=4 5788 B16R2.23501 Cc1cc(C(=O)O)nc2ccc(Cl)cc12 Amb18352810 [0,2,0,0,0,0|2,0,0]=4 5789 B16R2.23501 Cc1cc(C(=O)O)nc2ccc(F)cc12 Amb19103871 [0,2,0,0,0,0|2,0,0]=4 5790 B16R2.23501 Cc1cc(C(=O)O)nc2ccc(I)cc12 Amb19103901 [0,2,0,0,0,0|2,0,0]=4 5791 B16R2.23501 Cc1cc(C(N)=O)nc2ccc(Cl)cc12 Amb18352335 [0,2,0,0,0,0|2,0,0]=4 5792 B16R2.23501 Cc1cc(C(N)=O)nc2ccc(I)cc12 Amb19103451 [0,2,0,0,0,0|2,0,0]=4 5793 B16R2.23501 Cc1ccc2c(c1)C(=O)C=C(C(=O)O)N2 Amb19270146 [0,2,0,0,0,0|2,0,0]=4 5794 B16R2.23501 Cc1ccc2c(c1)C(=O)C=C(C(=O)O)O2 Amb17995432 [0,2,0,0,0,0|2,0,0]=4 5795 B16R2.23501 Cc1ccc2c(c1)C(=O)OC(C(=O)O)=C2 Amb19826207 [0,2,0,0,0,0|2,0,0]=4 5796 B16R2.23501 Cc1ccc2cc(C(=O)O)cc(C)c2n1 Amb19103856 [0,2,0,0,0,0|2,0,0]=4 5797 B16R2.23501 Cc1ccc2cc(C(=O)O)cc(O)c2c1 Amb18669675 [0,2,0,0,0,0|1,0,0]=3 5798 B16R2.23501 Cc1ccc2cc(C(=O)O)nc(Br)c2c1 Amb32684091 [0,2,0,0,0,0|2,0,0]=4 5799 B16R2.23501 Cc1ccc2cc(C(=O)O)nc(C)c2c1 Amb31096655 [0,2,0,0,0,0|2,0,0]=4 5800 B16R2.23501 Cc1ccc2cc(C(=O)O)nc(Cl)c2c1 Amb32684103 [0,2,0,0,0,0|2,0,0]=4 5801 B16R2.23501 Cc1ccc2cc(C(N)=O)cc(F)c2n1 Amb19103407 [0,2,0,0,0,0|2,0,0]=4 5802 B16R2.23501 Cc1ccc2nc(C(=O)O)cc(Br)c2c1 Amb31096034 [0,2,0,0,0,0|2,0,0]=4 5803 B16R2.23501 Cc1ccc2nc(C(=O)O)cc(C)c2c1 Amb19103869 [0,2,0,0,0,0|2,0,0]=4 5804 B16R2.23501 Cc1ccc2nc(C(=O)O)cc(Cl)c2c1 Amb28348806 [0,2,0,0,0,0|2,0,0]=4 5805 B16R2.23501 NC(=O)C1=CC(=O)c2cc(Cl)ccc2O1 Amb23347714 [0,2,0,0,0,0|2,0,0]=4 5806 B16R2.23501 Nc1cc(C(=O)O)nc2ccc(Br)cc12 Amb24121291 [0,2,0,0,0,0|2,0,0]=4 5807 B16R2.23501 Nc1cc(C(=O)O)nc2ccc(Cl)cc12 Amb24121292 [0,2,0,0,0,0|2,0,0]=4 5808 B16R2.23501 Nc1cc(C(=O)O)nc2ccc(F)cc12 Amb24121296 [0,2,0,0,0,0|2,0,0]=4 5809 B16R2.23501 Nc1ccc2c(c1)C(=O)C=C(C(=O)O)O2 Amb17933207 [0,2,0,0,0,0|2,0,0]=4 5810 B16R2.23501 Nc1ccc2cc(C(=O)O)cc(O)c2c1 Amb22752089 [0,2,0,0,0,0|1,0,0]=3 5811 B16R2.23501 Nc1nc(C(=O)O)cc2ccc(Br)cc12 Amb33495732 [0,2,0,0,0,0|2,0,0]=4 5812 B16R2.23501 O=C(Cl)c1cc2ccc(Br)cc2c(Cl)n1 Amb33309607 [0,2,0,0,0,0|2,0,0]=4 5813 B16R2.23501 O=C(O)C1=CC(=O)c2cc(Br)ccc2N1 Amb18047482 [0,2,0,0,0,0|2,0,0]=4 5814 B16R2.23501 O=C(O)C1=CC(=O)c2cc(Br)ccc2O1 Amb18001896 [0,2,0,0,0,0|2,0,0]=4 5815 B16R2.23501 O=C(O)C1=CC(=O)c2cc(Cl)ccc2O1 Amb18001897 [0,2,0,0,0,0|2,0,0]=4 5816 B16R2.23501 O=C(O)C1=CC(=O)c2cc(F)ccc2O1 Amb19214878 [0,2,0,0,0,0|2,0,0]=4 5817 B16R2.23501 O=C(O)C1=CC(=O)c2cc(O)ccc2O1 Amb33465497 [0,2,0,0,0,0|2,0,0]=4 5818 B16R2.23501 O=C(O)C1=Cc2ccc(Br)cc2C(=O)N1 Amb31156660 [0,2,0,0,0,0|2,0,0]=4 5819 B16R2.23501 O=C(O)C1=Cc2ccc(Br)cc2C(=O)O1 Amb32683886 [0,2,0,0,0,0|2,0,0]=4 5820 B16R2.23501 O=C(O)C1=Cc2ccc(Cl)cc2C(=O)O1 Amb32683887 [0,2,0,0,0,0|2,0,0]=4 5821 B16R2.23501 O=C(O)C1=Cc2ccc(F)cc2C(=O)O1 Amb32683850 [0,2,0,0,0,0|2,0,0]=4 5822 B16R2.23501 O=C(O)c1cc(Br)c2cc(Cl)ccc2n1 Amb31096053 [0,2,0,0,0,0|2,0,0]=4 5823 B16R2.23501 O=C(O)c1cc(Br)c2cc(F)ccc2n1 Amb31096051 [0,2,0,0,0,0|2,0,0]=4 5824 B16R2.23501 O=C(O)c1cc(Cl)c2cc(Br)ccc2n1 Amb3964639 [0,2,0,0,0,0|2,0,0]=4 5825 B16R2.23501 O=C(O)c1cc(Cl)c2cc(Cl)ccc2n1 Amb33541402 [0,2,0,0,0,0|2,0,0]=4 5826 B16R2.23501 O=C(O)c1cc(Cl)c2cc(F)ccc2n1 Amb3964679 [0,2,0,0,0,0|2,0,0]=4 5827 B16R2.23501 O=C(O)c1cc(Cl)c2cc(I)ccc2n1 Amb3964637 [0,2,0,0,0,0|2,0,0]=4 5828 B16R2.23501 O=C(O)c1cc(O)c2cc(Br)ccc2n1 Amb22057769 [0,2,0,0,0,0|2,0,0]=4 5829 B16R2.23501 O=C(O)c1cc(O)c2cc(Cl)ccc2c1 Amb18137532 [0,2,0,0,0,0|1,0,0]=3 5830 B16R2.23501 O=C(O)c1cc(O)c2cc(Cl)ccc2n1 Amb22057766 [0,2,0,0,0,0|2,0,0]=4 5831 B16R2.23501 O=C(O)c1cc(O)c2cc(F)ccc2c1 Amb18669677 [0,2,0,0,0,0|1,0,0]=3 5832 B16R2.23501 O=C(O)c1cc(O)c2cc(F)ccc2n1 Amb22057768 [0,2,0,0,0,0|2,0,0]=4 5833 B16R2.23501 O=C(O)c1cc(O)c2nc(O)ccc2c1 Amb33743693 [0,2,0,0,0,0|2,0,0]=4 5834 B16R2.23501 O=C(O)c1cc2ccc(Br)cc2c(Br)n1 Amb32684083 [0,2,0,0,0,0|2,0,0]=4 5835 B16R2.23501 O=C(O)c1cc2ccc(Br)cc2c(Cl)n1 Amb32758689 [0,2,0,0,0,0|2,0,0]=4 5836 B16R2.23501 O=C(O)c1cc2ccc(Cl)cc2c(Br)n1 Amb32684084 [0,2,0,0,0,0|2,0,0]=4 5837 B16R2.23501 O=C(O)c1cc2ccc(Cl)cc2c(Cl)n1 Amb32684009 [0,2,0,0,0,0|2,0,0]=4 5838 B16R2.23501 O=C(O)c1cc2ccc(F)cc2c(Br)n1 Amb32684085 [0,2,0,0,0,0|2,0,0]=4 5839 B16R2.23501 O=C(O)c1cc2ccc(F)cc2c(Cl)n1 Amb32684031 [0,2,0,0,0,0|2,0,0]=4 5840 B16R2.23501 O=C1C=Cc2cc(C(=O)O)cc(Br)c2N1 Amb18546008 [0,2,0,0,0,0|2,0,0]=4 5841 B16R2.23501 O=C1C=Cc2cc(C(=O)O)cc(F)c2N1 Amb18546006 [0,2,0,0,0,0|2,0,0]=4 5842 B16R2.26112 CC(=O)C1=Cc2c(Cl)cc(C)cc2OC1 Amb32756614 [0,2,0,0,0,0|1,0,1]=4 5843 B16R2.26112 CC(=O)c1ccc2nc(C)cc(Cl)c2c1 Amb18353457 [0,2,0,0,0,0|1,0,0]=3 5844 B16R2.26112 CC(=O)c1ccc2nc(C)cc(O)c2c1 Amb1397639 [0,2,0,0,0,0|1,0,0]=3 5845 B16R2.26112 CC1=CC(=O)c2cc(C(=O)O)ccc2N1 Amb18013075 [0,2,0,0,0,0|2,0,0]=4 5846 B16R2.26112 Cc1cc(Br)c2nc(C(=O)O)ccc2c1 Amb27421313 [0,2,0,0,0,0|2,0,0]=4 5847 B16R2.26112 Cc1cc(C)c2cc(C(=O)O)cnc2c1 Amb1994693 [0,2,0,0,0,0|2,0,0]=4 5848 B16R2.26112 Cc1cc(C)c2cc(C(N)=O)ccc2n1 Amb19103411 [0,2,0,0,0,0|2,0,0]=4 5849 B16R2.26112 Cc1cc(C)c2nc(C(=O)O)ccc2c1 Amb20667876 [0,2,0,0,0,0|2,0,0]=4 5850 B16R2.26112 Cc1cc(Cl)c2cc(C(=O)O)ccc2n1 Amb8564482 [0,2,0,0,0,0|2,0,0]=4 5851 B16R2.26112 Cc1cc(Cl)c2cc(C(N)=O)ccc2n1 Amb18352384 [0,2,0,0,0,0|2,0,0]=4 5852 B16R2.26112 Cc1cc(Cl)cc2ccc(C(=O)O)nc12 Amb24686457 [0,2,0,0,0,0|2,0,0]=4 5853 B16R2.26112 Cc1cc(Cl)nc2ccc(C(=O)O)cc12 Amb33070921 [0,2,0,0,0,0|2,0,0]=4 5854 B16R2.26112 Cc1cc(F)c2nc(C(=O)O)ccc2c1 Amb23448933 [0,2,0,0,0,0|2,0,0]=4 5855 B16R2.26112 Cc1cc(F)cc2ccc(C(=O)O)nc12 Amb23448928 [0,2,0,0,0,0|2,0,0]=4 5856 B16R2.26112 Cc1cc(N)c2cc(C(=O)O)ccc2n1 Amb5357656 [0,2,0,0,0,0|2,0,0]=4 5857 B16R2.26112 Cc1cc(O)c2cc(C(=O)O)ccc2n1 Amb1797232 [0,2,0,0,0,0|2,0,0]=4 5858 B16R2.26112 Cc1cc(O)c2cc(C(=O)O)ccc2n1 Amb5536121 [0,2,0,0,0,0|2,0,0]=4 5859 B16R2.26112 Cc1cc(O)nc2ccc(C(=O)O)cc12 Amb5723515 [0,2,0,0,0,0|2,0,0]=4 5860 B16R2.26112 Cc1cc(S)c2cc(C(=O)O)ccc2n1 Amb24120184 [0,2,0,0,0,0|2,0,0]=4 5861 B16R2.26112 NC(=O)c1ccc2cc(Cl)cc(Cl)c2n1 Amb17582136 [0,2,0,0,0,0|2,0,0]=4 5862 B16R2.26112 NC(=O)c1ccc2cc(F)cc(F)c2n1 Amb17579238 [0,2,0,0,0,0|2,0,0]=4 5863 B16R2.26112 O=C(O)c1ccc2cc(Br)cc(Br)c2n1 Amb24636393 [0,2,0,0,0,0|2,0,0]=4 5864 B16R2.26112 O=C(O)c1ccc2cc(Br)cc(Cl)c2n1 Amb28460982 [0,2,0,0,0,0|2,0,0]=4 5865 B16R2.26112 O=C(O)c1ccc2cc(Cl)cc(Cl)c2n1 Amb17582256 [0,2,0,0,0,0|2,0,0]=4 5866 B16R2.26112 O=C(O)c1ccc2cc(Cl)cc(I)c2n1 Amb28066372 [0,2,0,0,0,0|2,0,0]=4 5867 B16R2.26112 O=C(O)c1ccc2cc(I)cc(Br)c2n1 Amb27211459 [0,2,0,0,0,0|2,0,0]=4 5868 B16R2.26112 O=C(O)c1ccc2cc(I)cc(F)c2n1 Amb35589444 [0,2,0,0,0,0|2,0,0]=4 5869 B16R2.26112 O=C(O)c1cnc2cc(Cl)cc(Cl)c2c1 Amb1994688 [0,2,0,0,0,0|2,0,0]=4 5870 B16R2.26112 O=C1C=C(O)c2cc(C(=O)O)ccc2N1 Amb33078440 [0,2,0,0,0,0|2,0,0]=4 5871 B16R2.27376 CC(=O)c1ccc2c(c1)C=CC(C)(C)O2 Amb8396395 [0,2,0,0,0,0|1,0,1]=4 5872 B16R2.24425 CC(=O)C1=Cc2c(C)ccc(F)c2OC1 Amb32756630 [0,2,0,0,0,0|1,0,1]=4 5873 B16R2.24425 CC(=O)C1=Cc2c(Cl)ccc(Cl)c2OC1 Amb32756615 [0,2,0,0,0,0|1,0,1]=4 5874 B16R2.24425 Cc1ccc(C)c2nc(C(=O)O)ccc12 Amb20667877 [0,2,0,0,0,0|2,0,0]=4 5875 B16R2.24425 Cc1ccc(C)c2ncc(C(=O)O)cc12 Amb1994704 [0,2,0,0,0,0|2,0,0]=4 5876 B16R2.24425 Cc1ccc(Cl)c2cc(C(=O)O)cnc12 Amb1994716 [0,2,0,0,0,0|2,0,0]=4 5877 B16R2.24425 Cc1ccc(Cl)c2ccc(C(=O)O)nc12 Amb25834362 [0,2,0,0,0,0|2,0,0]=4 5878 B16R2.24425 Cc1ccc(F)c2nc(C(=O)O)ccc12 Amb23448937 [0,2,0,0,0,0|2,0,0]=4 5879 B16R2.24425 O=C(O)c1ccc2c(Br)ccc(Br)c2n1 Amb27256831 [0,2,0,0,0,0|2,0,0]=4 5880 B16R2.24425 O=C(O)c1ccc2c(Br)ccc(F)c2n1 Amb23448911 [0,2,0,0,0,0|2,0,0]=4 5881 B16R2.24425 O=C(O)c1ccc2c(Br)ccc(O)c2[nH+]1 Amb24113239 [0,2,0,0,0,0|2,0,0]=4 5882 B16R2.24425 O=C(O)c1ccc2c(Cl)ccc(Cl)c2n1 Amb17582257 [0,2,0,0,0,0|2,0,0]=4 5883 B16R2.24425 O=C(O)c1ccc2c(Cl)ccc(I)c2n1 Amb35706363 [0,2,0,0,0,0|2,0,0]=4 5884 B16R2.24425 O=C(O)c1ccc2c(F)ccc(Br)c2n1 Amb23448914 [0,2,0,0,0,0|2,0,0]=4 5885 B16R2.24425 O=C(O)c1ccc2c(F)ccc(F)c2n1 Amb17579272 [0,2,0,0,0,0|2,0,0]=4 5886 B16R2.24425 O=C(O)c1ccc2c(I)ccc(Cl)c2n1 Amb27753524 [0,2,0,0,0,0|2,0,0]=4 5887 B16R2.24425 O=C(O)c1cnc2c(F)ccc(F)c2c1 Amb20239468 [0,2,0,0,0,0|2,0,0]=4 5888 B16R2.24425 O=S([O-])c1ccc2c(Cl)ccc(Cl)c2c1 Amb32754362 [0,2,0,0,0,0|2,0,0]=4 5889 B16R2.36806 CCc1cccc2c1OCC(C(C)=O)=C2 Amb32756617 [0,2,0,0,0,0|1,0,1]=4 5890 B16R2.36806 CCc1cccc2cc(C(=O)O)cnc12 Amb1994848 [0,2,0,0,0,0|2,0,0]=4 5891 B16R2.36806 CCc1cccc2cc(C(N)=O)cnc12 Amb20239479 [0,2,0,0,0,0|2,0,0]=4 5892 B16R2.36806 COc1cccc2c1OCC(C(C)=O)=C2 Amb6384568 [0,2,0,0,0,0|1,0,1]=4 5893 B16R2.36806 COc1cccc2cc(C(=O)O)cnc12 Amb17621716 [0,2,0,0,0,0|2,0,0]=4 5894 B16R2.36806 COc1cccc2cc(C(=O)O)ncc12 Amb18786261 [0,2,0,0,0,0|2,0,0]=4 5895 B16R2.36806 COc1nccc2cc(C(=O)O)ccc12 Amb19097646 [0,2,0,0,0,0|2,0,0]=4 5896 B16R2.36806 N#Cc1nccc2cc(C(=O)O)ccc12 Amb19099808 [0,2,0,0,0,0|2,0,0]=4 5897 B16R2.126928 Cc1cccc2c1C(=O)OC(C(=O)O)=C2 Amb32683882 [0,2,0,0,0,0|2,0,0]=4 5898 B16R2.126928 Cc1cccc2cc(C(=O)O)nc(Br)c12 Amb32684059 [0,2,0,0,0,0|2,0,0]=4 5899 B16R2.126928 Cc1cccc2cc(C(=O)O)nc(Cl)c12 Amb32684058 [0,2,0,0,0,0|2,0,0]=4 5900 B16R2.126928 O=C(O)C1=CC(=O)c2c(O)cccc2O1 Amb19665281 [0,2,0,0,0,0|2,0,0]=4 5901 B16R2.126928 O=C(O)C1=Cc2cccc(Br)c2C(=O)N1 Amb35789029 [0,2,0,0,0,0|2,0,0]=4 5902 B16R2.126928 O=C(O)C1=Cc2cccc(Br)c2C(=O)O1 Amb32683564 [0,2,0,0,0,0|2,0,0]=4 5903 B16R2.126928 O=C(O)C1=Cc2cccc(Cl)c2C(=O)O1 Amb32683892 [0,2,0,0,0,0|2,0,0]=4 5904 B16R2.126928 O=C(O)C1=Cc2cccc(F)c2C(=O)O1 Amb32683811 [0,2,0,0,0,0|2,0,0]=4 5905 B16R2.126928 O=C(O)c1cc(O)c2c(O)cccc2c1 Amb24087922 [0,2,0,0,0,0|1,0,0]=3 5906 B16R2.126928 O=C(O)c1cc2cccc(Br)c2c(Br)n1 Amb32684092 [0,2,0,0,0,0|2,0,0]=4 5907 B16R2.126928 O=C(O)c1cc2cccc(Br)c2c(Cl)n1 Amb32684104 [0,2,0,0,0,0|2,0,0]=4 5908 B16R2.126928 O=C(O)c1cc2cccc(Cl)c2c(Br)n1 Amb32684095 [0,2,0,0,0,0|2,0,0]=4 5909 B16R2.126928 O=C(O)c1cc2cccc(Cl)c2c(Cl)n1 Amb32684107 [0,2,0,0,0,0|2,0,0]=4 5910 B16R2.126928 O=C(O)c1cc2cccc(F)c2c(Br)n1 Amb32684077 [0,2,0,0,0,0|2,0,0]=4 5911 B16R2.126928 O=C(O)c1cc2cccc(F)c2c(Cl)n1 Amb32684061 [0,2,0,0,0,0|2,0,0]=4 5912 B16R2.22890 CC(=O)c1cc(C)c2cccc(C)c2n1 Amb19104838 [0,2,0,0,0,0|1,0,0]=3 5913 B16R2.22890 CC(=O)c1cc(C)c2cccc(Cl)c2n1 Amb19104846 [0,2,0,0,0,0|1,0,0]=3 5914 B16R2.22890 CC(=O)c1cc(C)c2cccc(F)c2n1 Amb19104840 [0,2,0,0,0,0|1,0,0]=3 5915 B16R2.22890 CC(=O)c1cc(C)c2nccc(C)c2c1 Amb19104833 [0,2,0,0,0,0|1,0,0]=3 5916 B16R2.22890 Cc1cc(C(=O)O)nc2c(C)cccc12 Amb19103868 [0,2,0,0,0,0|2,0,0]=4 5917 B16R2.22890 Cc1cc(C(=O)O)nc2c(Cl)cccc12 Amb19103876 [0,2,0,0,0,0|2,0,0]=4 5918 B16R2.22890 Cc1cc(C(=O)O)nc2c(F)cccc12 Amb19103870 [0,2,0,0,0,0|2,0,0]=4 5919 B16R2.22890 Cc1cc(C(N)=O)nc2c(C)cccc12 Amb19103422 [0,2,0,0,0,0|2,0,0]=4 5920 B16R2.22890 Cc1cc(C(N)=O)nc2c(Cl)cccc12 Amb18352337 [0,2,0,0,0,0|2,0,0]=4 5921 B16R2.22890 Cc1cc(C(N)=O)nc2c(F)cccc12 Amb19103424 [0,2,0,0,0,0|2,0,0]=4 5922 B16R2.22890 Cc1cccc2c(Br)cc(C(=O)O)nc12 Amb31096045 [0,2,0,0,0,0|2,0,0]=4 5923 B16R2.22890 Cc1cccc2c(Br)nc(C(=O)O)cc12 Amb32684086 [0,2,0,0,0,0|2,0,0]=4 5924 B16R2.22890 Cc1cccc2c(C)nc(C(=O)O)cc12 Amb31096601 [0,2,0,0,0,0|2,0,0]=4 5925 B16R2.22890 Cc1cccc2c(Cl)cc(C(=O)O)nc12 Amb25671242 [0,2,0,0,0,0|2,0,0]=4 5926 B16R2.22890 Cc1cccc2c(Cl)nc(C(=O)O)cc12 Amb32683975 [0,2,0,0,0,0|2,0,0]=4 5927 B16R2.22890 Cc1cccc2c(O)cc(C(=O)O)cc12 Amb18669676 [0,2,0,0,0,0|1,0,0]=3 5928 B16R2.22890 Cc1cccc2c(O)cc(C(=O)O)nc12 Amb10075341 [0,2,0,0,0,0|2,0,0]=4 5929 B16R2.22890 Cc1cccc2c1C=C(C(=O)O)OC2=O Amb32683857 [0,2,0,0,0,0|2,0,0]=4 5930 B16R2.22890 Cc1cccc2c1OC(C(=O)O)=CC2=O Amb18654431 [0,2,0,0,0,0|2,0,0]=4 5931 B16R2.22890 Cc1ccnc2c(C)cc(C(N)=O)cc12 Amb19103418 [0,2,0,0,0,0|2,0,0]=4 5932 B16R2.22890 Cc1ccnc2c(F)cc(C(=O)O)cc12 Amb19103865 [0,2,0,0,0,0|2,0,0]=4 5933 B16R2.22890 Nc1cc(C(=O)O)nc2c(Cl)cccc12 Amb24121297 [0,2,0,0,0,0|2,0,0]=4 5934 B16R2.22890 Nc1cc(C(=O)O)nc2c(F)cccc12 Amb24121295 [0,2,0,0,0,0|2,0,0]=4 5935 B16R2.22890 O=C(O)C1=CC(=O)c2cccc(Cl)c2N1 Amb18944033 [0,2,0,0,0,0|2,0,0]=4 5936 B16R2.22890 O=C(O)C1=CC(=O)c2cccc(Cl)c2O1 Amb24309299 [0,2,0,0,0,0|2,0,0]=4 5937 B16R2.22890 O=C(O)C1=CC(=O)c2cccc(F)c2N1 Amb18278237 [0,2,0,0,0,0|2,0,0]=4 5938 B16R2.22890 O=C(O)C1=Cc2c(Br)cccc2C(=O)N1 Amb35789384 [0,2,0,0,0,0|2,0,0]=4 5939 B16R2.22890 O=C(O)C1=Cc2c(Br)cccc2C(=O)O1 Amb32683846 [0,2,0,0,0,0|2,0,0]=4 5940 B16R2.22890 O=C(O)C1=Cc2c(Cl)cccc2C(=O)O1 Amb32683881 [0,2,0,0,0,0|2,0,0]=4 5941 B16R2.22890 O=C(O)C1=Cc2c(F)cccc2C(=O)O1 Amb32683565 [0,2,0,0,0,0|2,0,0]=4 5942 B16R2.22890 O=C(O)c1cc(Br)c2cccc(Cl)c2n1 Amb31096085 [0,2,0,0,0,0|2,0,0]=4 5943 B16R2.22890 O=C(O)c1cc(Br)c2cccc(F)c2n1 Amb31096086 [0,2,0,0,0,0|2,0,0]=4 5944 B16R2.22890 O=C(O)c1cc(Cl)c2cccc(Br)c2n1 Amb3964650 [0,2,0,0,0,0|2,0,0]=4 5945 B16R2.22890 O=C(O)c1cc(Cl)c2cccc(Cl)c2n1 Amb3964672 [0,2,0,0,0,0|2,0,0]=4 5946 B16R2.22890 O=C(O)c1cc(Cl)c2cccc(F)c2n1 Amb3964678 [0,2,0,0,0,0|2,0,0]=4 5947 B16R2.22890 O=C(O)c1cc(O)c2cccc(Br)c2n1 Amb22755616 [0,2,0,0,0,0|2,0,0]=4 5948 B16R2.22890 O=C(O)c1cc(O)c2cccc(Cl)c2c1 Amb18137533 [0,2,0,0,0,0|1,0,0]=3 5949 B16R2.22890 O=C(O)c1cc(O)c2cccc(F)c2c1 Amb18669678 [0,2,0,0,0,0|1,0,0]=3 5950 B16R2.22890 O=C(O)c1cc(O)c2cccc(F)c2n1 Amb20171181 [0,2,0,0,0,0|2,0,0]=4 5951 B16R2.22890 O=C(O)c1cc(O)c2cccc(O)c2n1 Amb2222985 [0,2,0,0,0,0|2,0,0]=4 5952 B16R2.22890 O=C(O)c1cc2c(Br)cccc2c(Br)n1 Amb32684089 [0,2,0,0,0,0|2,0,0]=4 5953 B16R2.22890 O=C(O)c1cc2c(Br)cccc2c(Cl)n1 Amb32684101 [0,2,0,0,0,0|2,0,0]=4 5954 B16R2.22890 O=C(O)c1cc2c(Cl)cccc2c(Br)n1 Amb32684088 [0,2,0,0,0,0|2,0,0]=4 5955 B16R2.22890 O=C(O)c1cc2c(Cl)cccc2c(Cl)n1 Amb32684006 [0,2,0,0,0,0|2,0,0]=4 5956 B16R2.22890 O=C(O)c1cc2c(F)cccc2c(Br)n1 Amb32684093 [0,2,0,0,0,0|2,0,0]=4 5957 B16R2.22890 O=C(O)c1cc2c(F)cccc2c(Cl)n1 Amb32684105 [0,2,0,0,0,0|2,0,0]=4 5958 B16R2.40082 CCc1cc(C(=O)O)cc2cccnc12 Amb33352941 [0,2,0,0,0,0|2,0,0]=4 5959 B16R2.40082 CCc1nc(C(=O)O)cc2ccccc12 Amb31096505 [0,2,0,0,0,0|2,0,0]=4 5960 B16R2.40082 CNc1cc(C(=O)O)nc2ccccc12 Amb28044364 [0,2,0,0,0,0|2,0,0]=4 5961 B16R2.40082 CNc1nc(C(=O)O)cc2ccccc12 Amb8856636 [0,2,0,0,0,0|2,0,0]=4 5962 B16R2.40082 COc1cc(C(=O)O)cc2ccccc12 Amb18653794 [0,2,0,0,0,0|1,0,0]=3 5963 B16R2.40082 COc1cc(C(=O)O)cc2cccnc12 Amb33352942 [0,2,0,0,0,0|2,0,0]=4 5964 B16R2.40082 COc1cc(C(=O)O)nc2ccccc12 Amb611174 [0,2,0,0,0,0|2,0,0]=4 5965 B16R2.40082 COc1cc(C(C)=O)cc2ccccc12 Amb32850255 [0,2,0,0,0,0|0,0,0]=2 5966 B16R2.40082 COc1cc(C(C)N)cc2ccccc12 Amb32721602 [0,2,0,0,0,0|1,0,1]=4 5967 B16R2.40082 COc1cc(C(C)N)cc2ccccc12 Amb32721604 [0,2,0,0,0,0|1,0,1]=4 5968 B16R2.40082 COc1cc([N+](=O)[O-])cc2ccccc12 Amb21964863 [0,2,0,0,0,0|2,0,0]=4 5969 B16R2.40082 COc1nc(C(=O)O)cc2ccccc12 Amb33545940 [0,2,0,0,0,0|2,0,0]=4 5970 B16R2.189541 CCc1cccc2ccc(C(=O)O)nc12 Amb18653543 [0,2,0,0,0,0|2,0,0]=4 5971 B16R2.189541 CCc1cccc2cnc(C(=O)O)cc12 Amb32684015 [0,2,0,0,0,0|2,0,0]=4 5972 B16R2.189541 COc1cccc2ccc(C(=O)O)nc12 Amb8389549 [0,2,0,0,0,0|2,0,0]=4 5973 B16R2.189541 COc1cccc2ccc(C(N)=O)nc12 Amb17578950 [0,2,0,0,0,0|2,0,0]=4 5974 B16R2.189541 COc1cccc2cnc(C(=O)O)cc12 Amb18786259 [0,2,0,0,0,0|2,0,0]=4 5975 B16R2.189541 COc1cccc2ncc(C(=O)O)cc12 Amb24183764 [0,2,0,0,0,0|2,0,0]=4 5976 B16R2.189541 COc1nccc2ccc(C(=O)O)cc12 Amb19097628 [0,2,0,0,0,0|2,0,0]=4 5977 B16R2.189541 N#Cc1nccc2ccc(C(=O)O)cc12 Amb18346799 [0,2,0,0,0,0|2,0,0]=4 5978 B16R2.189541 NCc1cccc2ccc(C(=O)O)cc12 Amb33330916 [0,2,0,0,0,0|1,0,0]=3 5979 B16R2.189541 NCc1cccc2ccc(C(=O)O)cc12 Amb8397275 [0,2,0,0,0,0|1,0,0]=3 5980 B16R2.189541 O=Cc1cccc2ccc(C(=O)O)cc12 Amb33295225 [0,2,0,0,0,0|1,0,0]=3 5981 B14R2.2 CC(=O)Cc1coc2ccccc12 Amb25861273 [0,0,1,1,0,0|1,0,1]=4 5982 B14R2.2 CC(=O)Cc1csc2ccccc12 Amb17594971 [0,0,1,1,0,0|1,0,1]=4 5983 B14R2.2 CC(=O)Cn1ccc2ccccc21 Amb18185769 [0,0,1,1,0,0|1,0,1]=4 5984 B14R2.2 CC(=O)NC1=CCc2ccccc21 Amb22270448 [0,0,1,1,0,0|1,0,1]=4 5985 B14R2.2 CC(=O)Nc1coc2ccccc12 Amb1102596 [0,0,1,1,0,0|2,0,0]=4 5986 B14R2.2 CC(=O)Nc1csc2ccccc12 Amb10810744 [0,0,1,1,0,0|2,0,0]=4 5987 B14R2.2 CC(=O)Nn1ccc2ccccc21 Amb27491614 [0,0,1,1,0,0|2,0,0]=4 5988 B14R2.2 CC(=O)Oc1coc2ccccc12 Amb6357855 [0,0,1,1,0,0|2,0,0]=4 5989 B14R2.2 CC(=O)\C=C1/OCc2ccccc21 Amb19651458 [0,0,1,1,0,0|1,0,1]=4 5990 B14R2.2 CC(=O)\C=C1\OCc2ccccc21 Amb27185877 [0,0,1,1,0,0|1,0,1]=4 5991 B14R2.2 O=C(O)\C=C1\C=Cc2ccccc21 Amb27187386 [0,0,1,1,0,0|1,0,0]=3 5992 B14R2.280 O=C1C=Cc2ccccc2C=CN1 Amb6359616 [0,0,1,1,0,0|1,0,0]=3 5993 B14R2.1073 C=Cc1cccc2nc(Cl)ccc12 Amb27966206 [0,0,1,1,0,0|2,0,0]=4 5994 B14R2.1073 C=Cc1cccc2nc(N)ccc12 Amb27445660 [0,0,1,1,0,0|2,0,0]=4 5995 B14R2.1073 Cc1ccc2c(C=O)cccc2c1 Amb18126679 [0,0,1,1,0,0|2,0,0]=4 5996 B14R2.1073 Cc1ccc2c(C=O)cccc2n1 Amb23412320 [0,0,1,1,0,0|2,0,0]=4 5997 B14R2.256 Cc1ccc(-c2ccccc2N)o1 Amb650971 [0,0,1,1,0,0|1,0,1]=4 5998 B14R2.256 Cc1ccc(-c2ccccc2N)s1 Amb18278828 [0,0,1,1,0,0|1,1,0]=4 5999 B14R2.256 Cc1ccc(-c2ccccc2N)s1 Amb31146926 [0,0,1,1,0,0|1,1,0]=4 6000 B14R2.256 O=C1C=CC(c2ccccc2Cl)C1 Amb27207023 [0,0,1,1,0,0|1,0,1]=4 6001 B14R2.768 CC(=O)C=C1Nc2ccccc2N1 Amb17845562 [0,0,1,1,0,0|2,0,0]=4 6002 B14R2.768 CC(=O)Cc1cc2ccccc2s1 Amb26568171 [0,0,1,1,0,0|1,0,1]=4 6003 B14R2.768 CC(=O)NC1=Cc2ccccc2C1 Amb27816328 [0,0,1,1,0,0|1,0,1]=4 6004 B14R2.768 CC(=O)Nc1cc2ccccc2o1 Amb22749462 [0,0,1,1,0,0|2,0,0]=4 6005 B14R2.768 CC(=O)Nc1cc2ccccc2s1 Amb25798303 [0,0,1,1,0,0|2,0,0]=4 6006 B14R2.768 CC(=O)Oc1cc2ccccc2s1 Amb27959183 [0,0,1,1,0,0|2,0,0]=4 6007 B14R2.768 CC(=O)\C=C1\Nc2ccccc2O1 Amb23183815 [0,0,1,1,0,0|2,0,0]=4 6008 B14R2.768 C\C(Br)=C\c1cc2ccccc2s1 Amb27209235 [0,0,1,1,0,0|2,0,0]=4 6009 B14R2.741 CC1=Cc2ccccc2C=CC1=O Amb21948167 [0,0,1,1,0,0|0,0,2]=4 6010 B14R2.260 Cc1sc(-c2ccccc2)cc1I Amb8447438 [0,0,1,1,0,0|1,1,0]=4 6011 B14R2.260 O=C1C=C(c2ccccc2)OC1=O Amb9685644 [0,0,1,1,0,0|2,0,0]=4 6012 B14R2.764 CC(=O)C1C\C1=C/c2ccccc2 Amb27854648 [0,0,1,1,0,0|0,0,2]=4 6013 B14R2.8653 CC(=O)c1ccc(O)c2ccsc12 Amb18651225 [0,0,1,1,0,0|2,0,0]=4 6014 B14R2.8653 CC(=O)c1ccc(O)c2sccc12 Amb18129947 [0,0,1,1,0,0|2,0,0]=4 6015 B14R2.30 O=C1C=CC\C1=C/c2ccccc2 Amb27762533 [0,0,1,1,0,0|0,0,2]=4 6016 B14R2.30 O=C1CCC=C1Oc2ccccc2 Amb28053964 [0,0,1,1,0,0|1,0,1]=4 6017 B14R2.30 O=C1CCC\C1=C/c2ccccc2 Amb1198712 [0,0,1,1,0,0|0,0,2]=4 6018 B14R2.30 O=C1NC=N\C1=C/c2ccccc2 Amb25837555 [0,0,1,1,0,0|2,0,0]=4 6019 B14R2.780 CC(=O)C1=C(c2ccccc2)CC1 Amb28062994 [0,0,1,1,0,0|0,0,2]=4 6020 B14R2.24350 CC(=O)c1cccc2ccn(C)c12 Amb23401342 [0,0,1,1,0,0|1,0,1]=4 6021 B14R2.31359 C=C(C)c1cccc2ccccc12 Amb25130722 [0,0,1,1,0,0|1,0,0]=3 6022 B14R2.31359 CC(=O)N1CC=Cc2ccccc21 Amb26639322 [0,0,1,1,0,0|1,0,1]=4 6023 B14R2.31359 CC(=O)c1cccc2c1OCC=C2 Amb27861312 [0,0,1,1,0,0|1,0,1]=4 6024 B14R2.31359 CC(=O)c1cccc2ccccc12 Amb2792763 [0,0,1,1,0,0|0,0,0]=2 6025 B14R2.31359 CC(=O)c1cccc2cccnc12 Amb8397280 [0,0,1,1,0,0|1,0,0]=3 6026 B14R2.31359 CC(=O)c1cccc2ccncc12 Amb19104765 [0,0,1,1,0,0|1,0,0]=3 6027 B14R2.31359 CC(=O)c1cccc2cnccc12 Amb18793963 [0,0,1,1,0,0|1,0,0]=3 6028 B14R2.31359 CC(=O)c1cccc2cnncc12 Amb23400356 [0,0,1,1,0,0|2,0,0]=4 6029 B14R2.31359 CC(=O)c1cccc2ncccc12 Amb22295846 [0,0,1,1,0,0|1,0,0]=3 6030 B14R2.31359 CC(=O)c1ccnc2ccccc12 Amb10982506 [0,0,1,1,0,0|1,0,0]=3 6031 B14R2.31359 CC(=O)c1ccnc2cccnc12 Amb23437165 [0,0,1,1,0,0|2,0,0]=4 6032 B14R2.31359 CC(=O)c1ccnc2ncccc12 Amb25900650 [0,0,1,1,0,0|2,0,0]=4 6033 B14R2.31359 CC(=O)c1cncc2ccccc12 Amb18353441 [0,0,1,1,0,0|1,0,0]=3 6034 B14R2.31359 CC(=O)c1cnnc2ccccc12 Amb28386648 [0,0,1,1,0,0|2,0,0]=4 6035 B14R2.31359 CC(=O)c1nccc2ccccc12 Amb19104782 [0,0,1,1,0,0|1,0,0]=3 6036 B14R2.31359 CC(Br)c1cccc2ccccc12 Amb33528724 [0,0,1,1,0,0|1,0,1]=4 6037 B14R2.31359 CC(C)c1cccc2ccccc12 Amb21520299 [0,0,1,1,0,0|1,0,1]=4 6038 B14R2.31359 CC(Cl)c1cccc2ccccc12 Amb7766825 [0,0,1,1,0,0|1,0,1]=4 6039 B14R2.31359 CC(N)c1cccc2ccccc12 Amb1995283 [0,0,1,1,0,0|1,0,1]=4 6040 B14R2.31359 CC(N)c1cccc2ccccc12 Amb22001977 [0,0,1,1,0,0|1,0,1]=4 6041 B14R2.31359 CC(O)c1cccc2ccccc12 Amb2731528 [0,0,1,1,0,0|0,0,2]=4 6042 B14R2.31359 CC(S)c1cccc2ccccc12 Amb7784743 [0,0,1,1,0,0|0,1,1]=4 6043 B14R2.31359 CC([NH3+])c1cccc2ccccc12 Amb33513083 [0,0,1,1,0,0|1,0,1]=4 6044 B14R2.31359 CN(C)c1cccc2ccccc12 Amb4317507 [0,0,1,1,0,0|2,0,0]=4 6045 B14R2.31359 CN(N)c1cccc2ccccc12 Amb8390179 [0,0,1,1,0,0|2,0,0]=4 6046 B14R2.31359 CS(=O)c1cccc2cccnc12 Amb27438604 [0,0,1,1,0,0|2,0,0]=4 6047 B14R2.31359 C[C@@H](N)c1cccc2ccccc12 Amb19944601 [0,0,1,1,0,0|1,0,1]=4 6048 B14R2.31359 C[C@@H](N)c1cccc2ccccc12 Amb2720577 [0,0,1,1,0,0|1,0,1]=4 6049 B14R2.31359 C[C@@H](N)c1cccc2ccccc12 Amb32405684 [0,0,1,1,0,0|1,0,1]=4 6050 B14R2.31359 C[C@@H](O)c1cccc2ccccc12 Amb20240628 [0,0,1,1,0,0|0,0,2]=4 6051 B14R2.31359 C[C@H](N)c1cccc2ccccc12 Amb19944602 [0,0,1,1,0,0|1,0,1]=4 6052 B14R2.31359 C[C@H](N)c1cccc2ccccc12 Amb3940164 [0,0,1,1,0,0|1,0,1]=4 6053 B14R2.31359 C[C@H](O)c1cccc2ccccc12 Amb19888382 [0,0,1,1,0,0|0,0,2]=4 6054 B14R2.31359 NC(=O)c1cccc2ccccc12 Amb6337525 [0,0,1,1,0,0|1,0,0]=3 6055 B14R2.31359 NC(=O)c1cccc2cccnc12 Amb8340170 [0,0,1,1,0,0|2,0,0]=4 6056 B14R2.31359 NC(=O)c1cccc2ccncc12 Amb18352241 [0,0,1,1,0,0|2,0,0]=4 6057 B14R2.31359 NC(=O)c1cccc2cnccc12 Amb19103340 [0,0,1,1,0,0|2,0,0]=4 6058 B14R2.31359 NC(=O)c1cccc2ncccc12 Amb7969446 [0,0,1,1,0,0|2,0,0]=4 6059 B14R2.31359 NC(=O)c1ccnc2ccccc12 Amb10553804 [0,0,1,1,0,0|2,0,0]=4 6060 B14R2.31359 NC(=O)c1cncc2ccccc12 Amb19103394 [0,0,1,1,0,0|2,0,0]=4 6061 B14R2.31359 NC(=S)c1cccc2ccccc12 Amb1114815 [0,0,1,1,0,0|1,1,0]=4 6062 B14R2.31359 O=C(Cl)c1cccc2ccccc12 Amb2720581 [0,0,1,1,0,0|1,0,0]=3 6063 B14R2.31359 O=C(Cl)c1cccc2cccnc12 Amb18948482 [0,0,1,1,0,0|2,0,0]=4 6064 B14R2.31359 O=C(Cl)c1cccc2cnccc12 Amb28243707 [0,0,1,1,0,0|2,0,0]=4 6065 B14R2.31359 O=C(Cl)c1cccc2ncccc12 Amb18280683 [0,0,1,1,0,0|2,0,0]=4 6066 B14R2.31359 O=C(Cl)c1ccnc2ccccc12 Amb27413269 [0,0,1,1,0,0|2,0,0]=4 6067 B14R2.31359 O=C(Cl)c1nccc2ccccc12 Amb18279331 [0,0,1,1,0,0|2,0,0]=4 6068 B14R2.31359 O=C(F)c1cccc2ccccc12 Amb25123971 [0,0,1,1,0,0|1,0,0]=3 6069 B14R2.31359 O=C(O)c1cccc2ccccc12 Amb17748952 [0,0,1,1,0,0|1,0,0]=3 6070 B14R2.31359 O=C(O)c1cccc2cccnc12 Amb6355833 [0,0,1,1,0,0|2,0,0]=4 6071 B14R2.31359 O=C(O)c1cccc2ccncc12 Amb8009844 [0,0,1,1,0,0|2,0,0]=4 6072 B14R2.31359 O=C(O)c1cccc2cnccc12 Amb1995128 [0,0,1,1,0,0|2,0,0]=4 6073 B14R2.31359 O=C(O)c1cccc2ncccc12 Amb1106270 [0,0,1,1,0,0|2,0,0]=4 6074 B14R2.31359 O=C(O)c1cccc2ncccc12 Amb33620722 [0,0,1,1,0,0|2,0,0]=4 6075 B14R2.31359 O=C(O)c1ccnc2ccccc12 Amb1229911 [0,0,1,1,0,0|2,0,0]=4 6076 B14R2.31359 O=C(O)c1cncc2ccccc12 Amb2372594 [0,0,1,1,0,0|2,0,0]=4 6077 B14R2.31359 O=C(O)c1nccc2ccccc12 Amb2689043 [0,0,1,1,0,0|2,0,0]=4 6078 B14R2.31359 O=S(O)c1cccc2ccccc12 Amb28144838 [0,0,1,1,0,0|2,0,0]=4 6079 B14R2.31359 O=S([O-])c1cccc2ccccc12 Amb25828768 [0,0,1,1,0,0|2,0,0]=4 6080 B14R2.31359 O=[N+]([O-])c1cccc2ccccc12 Amb6608818 [0,0,1,1,0,0|2,0,0]=4 6081 B14R2.774 O=C(O)c1ccc2cccc2cc1 Amb28127627 [0,0,1,1,0,0|1,0,0]=3 6082 B14R2.9422 CC(=O)c1cccc2cccc2c1 Amb27954109 [0,0,1,1,0,0|0,0,0]=2 6083 B14R2.31232 O=C(Cl)c1ccc2cccccc12 Amb27265885 [0,0,1,1,0,0|1,0,0]=3 6084 B14R2.31232 O=C(O)c1ccc-2cccccc12 Amb18548443 [0,0,1,1,0,0|1,0,0]=3 6085 B14R2.31338 O=C(O)c1cc2cccccc2c1 Amb27805834 [0,0,1,1,0,0|1,0,0]=3 6086 B14R3.52 c1ccc2c3c(cnc2c1)CC3 Amb27254179 [1,0,0,1,0,0|1,0,1]=4 6087 B16R3.335 CC1=Cc2c(ccc3ccccc23)C1 Amb21964649 [0,0,0,1,0,1|1,0,0]=3 6088 B16R3.335 CC1Cc2c(ccc3ccccc23)N1 Amb27165999 [0,0,0,1,0,1|1,0,1]=4 6089 B16R3.335 Cc1cc2cnc3ccccc3c2o1 Amb27882635 [0,0,0,1,0,1|1,0,1]=4 6090 B16R3.335 Cc1nc2c(ccc3ccccc32)s1 Amb1151328 [0,0,0,1,0,1|1,0,0]=3 6091 B16R3.335 Cc1nc2ccc3ccccc3c2o1 Amb8516705 [0,0,0,1,0,1|0,0,1]=3 6092 B16R3.335 Cc1nc2ccc3ccccc3c2s1 Amb6336330 [0,0,0,1,0,1|0,1,0]=3 6093 B16R3.335 Cc1nc2ccc3ncccc3c2s1 Amb26839432 [0,0,0,1,0,1|1,1,0]=4 6094 B16R3.335 Cc1nc2cnc3ccccc3c2o1 Amb33623553 [0,0,0,1,0,1|1,0,1]=4 6095 B16R3.335 Clc1nc2c(ccc3ccccc32)s1 Amb26905769 [0,0,0,1,0,1|2,0,0]=4 6096 B16R3.335 Clc1nc2ccc3ccccc3c2s1 Amb2644794 [0,0,0,1,0,1|1,1,0]=4 6097 B16R3.335 Nc1cc2c(ccc3ccccc32)s1 Amb27747128 [0,0,0,1,0,1|1,0,1]=4 6098 B16R3.335 Nc1nc2c(ccc3ccccc32)o1 Amb23594666 [0,0,0,1,0,1|2,0,0]=4 6099 B16R3.335 Nc1nc2c(ccc3ccccc32)s1 Amb1103951 [0,0,0,1,0,1|2,0,0]=4 6100 B16R3.335 Nc1nc2ccc3ccccc3c2s1 Amb6660003 [0,0,0,1,0,1|1,1,0]=4 6101 B16R3.335 O=C1CC2=C(CCc3ccccc32)N1 Amb27411813 [0,0,0,1,0,1|0,0,2]=4 6102 B16R3.335 O=C1Cc2c(ccc3ccccc23)N1 Amb25277166 [0,0,0,1,0,1|0,0,0]=2 6103 B16R3.335 O=C1Cc2c(ccc3ccccc23)O1 Amb2608678 [0,0,0,1,0,1|0,0,0]=2 6104 B16R3.335 O=C1Cc2ccc3ccccc3c2O1 Amb28343872 [0,0,0,1,0,1|1,0,0]=3 6105 B16R3.335 O=C1Cc2ccc3cccnc3c2N1 Amb28203435 [0,0,0,1,0,1|2,0,0]=4 6106 B16R3.335 O=C1Cc2ccc3ccncc3c2N1 Amb27449213 [0,0,0,1,0,1|2,0,0]=4 6107 B16R3.335 O=C1N=C2NC=C3C=CC=CC3=C2S1 Amb25714604 [0,0,0,1,0,1|2,0,0]=4 6108 B16R3.335 O=C1Nc2c(ccc3ccccc23)S1 Amb25324159 [0,0,0,1,0,1|1,0,0]=3 6109 B16R3.335 O=C1Nc2c(ccc3ccncc23)S1 Amb28409010 [0,0,0,1,0,1|2,0,0]=4 6110 B16R3.335 O=C1Nc2ccc3ccccc3c2N1 Amb25335326 [0,0,0,1,0,1|1,0,0]=3 6111 B16R3.335 O=C1Nc2ccc3ccccc3c2O1 Amb28198043 [0,0,0,1,0,1|1,0,0]=3 6112 B16R3.335 O=C1Nc2ccc3ccncc3c2S1 Amb26342950 [0,0,0,1,0,1|2,0,0]=4 6113 B16R3.335 O=C1Nc2ccc3cnccc3c2S1 Amb26987471 [0,0,0,1,0,1|2,0,0]=4 6114 B16R3.335 O=C1Nc2ccc3ncccc3c2N1 Amb25061619 [0,0,0,1,0,1|2,0,0]=4 6115 B16R3.335 O=C1Nc2cnc3ccccc3c2O1 Amb33624033 [0,0,0,1,0,1|2,0,0]=4 6116 B16R3.335 O=C1Nc2cnc3ccccc3c2S1 Amb27751285 [0,0,0,1,0,1|2,0,0]=4 6117 B16R3.335 O=C1Oc2c(ccc3ccccc23)S1 Amb20663533 [0,0,0,1,0,1|1,0,0]=3 6118 B16R3.335 Oc1nc2c(ccc3ccccc32)o1 Amb8479568 [0,0,0,1,0,1|1,0,1]=4 6119 B16R3.335 Oc1nc2ccc3ccccc3c2s1 Amb23527586 [0,0,0,1,0,1|1,0,1]=4 6120 B16R3.335 S=C1Nc2ccc3ccccc3c2S1 Amb24506419 [0,0,0,1,0,1|1,1,0]=4 6121 B16R3.335 S=c1nc2ccc3ccccc3c2n1 Amb16191971 [0,0,0,1,0,1|1,1,0]=4 6122 B16R3.2273 Cc1nc2cc3ccccc3cc2o1 Amb4052433 [0,0,0,1,0,1|0,0,1]=3 6123 B16R3.2273 Cc1nc2cc3ccccc3cc2s1 Amb8383636 [0,0,0,1,0,1|0,1,0]=3 6124 B16R3.2273 Clc1nc2cc3ccccc3cc2o1 Amb28410778 [0,0,0,1,0,1|1,0,1]=4 6125 B16R3.2273 Clc1nc2cc3ccccc3cc2s1 Amb27636197 [0,0,0,1,0,1|1,1,0]=4 6126 B16R3.2273 Nc1nc2cc3ccccc3cc2s1 Amb27850619 [0,0,0,1,0,1|1,1,0]=4 6127 B16R3.2273 O=C1N=C2Oc3ccccc3C=C2S1 Amb22549477 [0,0,0,1,0,1|2,0,0]=4 6128 B16R3.2273 O=C1Nc2cc3ccccc3cc2O1 Amb18010202 [0,0,0,1,0,1|1,0,0]=3 6129 B16R3.2273 O=C1Nc2cc3ccccc3nc2S1 Amb27463342 [0,0,0,1,0,1|2,0,0]=4 6130 B16R3.2273 O=C1Nc2nc3ccccc3cc2S1 Amb27949564 [0,0,0,1,0,1|2,0,0]=4 6131 B16R3.2527 O=S1(=O)Oc2cc3ccccc3cc21 Amb2616411 [0,0,0,1,0,1|2,0,0]=4 6132 B16R3.5186 BrC1CC1c2ccc3ccccc3c2 Amb27493617 [0,0,0,1,0,1|1,0,1]=4 6133 B16R3.5186 Br[C@@H]1C[C@H]1c2ccc3ccccc3c2 Amb28347583 [0,0,0,1,0,1|1,0,1]=4 6134 B16R3.5186 NC1CC1c2ccc3ccccc3c2 Amb19373436 [0,0,0,1,0,1|1,0,1]=4 6135 B16R3.5186 NC1CC1c2ccc3ccccc3c2 Amb9677185 [0,0,0,1,0,1|1,0,1]=4 6136 B16R3.5186 N[C@@H]1C[C@@H]1c2ccc3ccccc3c2 Amb34915318 [0,0,0,1,0,1|1,0,1]=4 6137 B16R3.5186 N[C@@H]1C[C@H]1c2ccc3ccccc3c2 Amb26531031 [0,0,0,1,0,1|1,0,1]=4 6138 B16R3.5186 N[C@@H]1C[C@H]1c2ccc3ccccc3c2 Amb33032244 [0,0,0,1,0,1|1,0,1]=4 6139 B16R3.63903 c1ccc2cc(CC3CO3)ccc2c1 Amb33550622 [0,0,0,1,0,1|0,0,2]=4 6140 B16R3.2620 Cc1cnc2c3ccccc3ccn12 Amb17470669 [0,1,0,1,0,0|2,0,0]=4 6141 B16R3.2620 Cc1coc2c1ccc3ccccc32 Amb28120939 [0,1,0,1,0,0|0,0,1]=3 6142 B16R3.2620 Cc1nnc2c3ccccc3ccn12 Amb28320918 [0,1,0,1,0,0|2,0,0]=4 6143 B16R3.2620 ClC1CCc2c1ccc3ccccc23 Amb28070559 [0,1,0,1,0,0|1,0,1]=4 6144 B16R3.2620 Nc1nsc2c1ccc3ccccc32 Amb8487462 [0,1,0,1,0,0|1,1,0]=4 6145 B16R3.2620 Nc1snc2c1ccc3ccccc32 Amb27236917 [0,1,0,1,0,0|1,1,0]=4 6146 B16R3.2620 O=C1CCC2=C1CCc3ccccc32 Amb4003890 [0,1,0,1,0,0|0,0,2]=4 6147 B16R3.2620 O=C1CCc2c1ccc3ccccc23 Amb18179270 [0,1,0,1,0,0|0,0,0]=2 6148 B16R3.2620 O=C1CCc2c1ccc3cccnc23 Amb27632264 [0,1,0,1,0,0|1,0,0]=3 6149 B16R3.2620 O=C1CCc2c1ccc3nccnc23 Amb28122546 [0,1,0,1,0,0|2,0,0]=4 6150 B16R3.2620 O=C1COc2c1ccc3ccccc23 Amb2418866 [0,1,0,1,0,0|0,0,0]=2 6151 B16R3.2620 O=C1NN=C2C1=CNc3ccccc32 Amb28135385 [0,1,0,1,0,0|2,0,0]=4 6152 B16R3.2620 O=C1ONc2c1cnc3ccccc23 Amb19559845 [0,1,0,1,0,0|2,0,0]=4 6153 B16R3.2620 OC1CCc2c1ccc3ccccc23 Amb18318790 [0,1,0,1,0,0|0,0,2]=4 6154 B16R3.2620 OC1COc2c1ccc3ccccc23 Amb27641670 [0,1,0,1,0,0|0,0,2]=4 6155 B16R3.2620 OC1OCc2c1ccc3ccccc23 Amb27197586 [0,1,0,1,0,0|0,0,2]=4 6156 B16R3.16692 O=S1(=O)Cc2c1ccc3ccccc23 Amb6359412 [0,1,0,1,0,0|1,0,0]=3 6157 B16R3.17428 NC1COc2cc3ccccc3cc21 Amb27640287 [0,1,0,1,0,0|1,0,1]=4 6158 B16R3.17428 N[C@@H]1CCc2cc3ccccc3cc21 Amb27749405 [0,1,0,1,0,0|1,0,1]=4 6159 B16R3.17428 N[C@H]1COc2cc3ccccc3cc21 Amb28313751 [0,1,0,1,0,0|1,0,1]=4 6160 B16R3.17428 O=C1C=Cc2cc3ccccc3cc21 Amb8388354 [0,1,0,1,0,0|0,0,1]=3 6161 B16R3.17428 O=C1CCC2=C1Nc3ccccc3S2 Amb27793433 [0,1,0,1,0,0|2,0,0]=4 6162 B16R3.17428 O=C1CCC2=C1Sc3ccccc3N2 Amb20414109 [0,1,0,1,0,0|2,0,0]=4 6163 B16R3.17428 O=C1CCc2cc3ncccc3cc21 Amb27759931 [0,1,0,1,0,0|1,0,0]=3 6164 B16R3.17428 O=C1CNc2nc3ccccc3cc21 Amb28141857 [0,1,0,1,0,0|1,0,0]=3 6165 B16R3.17428 O=C1COc2cc3ccccc3cc21 Amb25665046 [0,1,0,1,0,0|0,0,0]=2 6166 B16R3.17428 O=C1CSc2cc3ccccc3cc21 Amb17595312 [0,1,0,1,0,0|0,0,0]=2 6167 B16R3.17428 O=C1NN=C2Oc3ccccc3C=C12 Amb21948630 [0,1,0,1,0,0|2,0,0]=4 6168 B16R3.17428 O=C1OCc2cc3ccccc3cc21 Amb4010632 [0,1,0,1,0,0|0,0,0]=2 6169 B16R3.17428 O=C1OCc2nc3ncccc3cc21 Amb19664202 [0,1,0,1,0,0|2,0,0]=4 6170 B16R3.17428 OC1CCc2cc3ccccc3cc21 Amb24510993 [0,1,0,1,0,0|0,0,2]=4 6171 B16R3.17428 OC1OCc2cc3ccccc3cc21 Amb27594825 [0,1,0,1,0,0|0,0,2]=4 6172 B16R3.11647 CC1(c2ccc3ccccc3c2)CC1 Amb25247543 [0,1,0,1,0,0|1,0,1]=4 6173 B16R3.11647 CC1(c2ccc3ccccc3c2)CO1 Amb19068718 [0,1,0,1,0,0|0,0,2]=4 6174 B16R3.11647 NC1(c2ccc3ccccc3c2)CC1 Amb19068293 [0,1,0,1,0,0|1,0,1]=4 6175 B16R3.11647 OC1(c2ccc3ccccc3c2)CC1 Amb19068717 [0,1,0,1,0,0|0,0,2]=4 6176 B16R3.15796 O=C1c2ccc3ccccc3c2C1Cl Amb27827834 [0,1,0,1,0,0|0,0,0]=2 6177 B16R3.275899 c1ccc2cc(C3CCN3)ccc2c1 Amb24657274 [0,1,0,1,0,0|1,0,1]=4 6178 B16R3.275899 c1ccc2cc(C3CNC3)ccc2c1 Amb26512034 [0,1,0,1,0,0|1,0,1]=4 6179 B16R3.275899 c1ccc2cc(C3COC3)ccc2c1 Amb28136975 [0,1,0,1,0,0|0,0,2]=4 6180 B16R3.10767 Oc1ccc2ccc(C3CC3)cc2c1 Amb32751566 [0,1,0,1,0,0|1,0,1]=4 6181 B12R1.75 C=Cc1ccccc1NC(C)=O Amb27230576 [0,0,1,0,1,0|1,0,0]=3 6182 B12R1.75 C=Cc1ccccc1OC(C)=O Amb18798087 [0,0,1,0,1,0|1,0,0]=3 6183 B12R1.75 CC(=O)Nc1ccccc1C=O Amb2693665 [0,0,1,0,1,0|2,0,0]=4 6184 B12R1.75 CC(=O)Oc1ccccc1C=O Amb4019335 [0,0,1,0,1,0|2,0,0]=4 6185 B12R1.75 CC(=O)Sc1ccccc1C=O Amb27178120 [0,0,1,0,1,0|2,0,0]=4 6186 B12R1.75 CC(C)=Cc1ccccc1C=O Amb18645369 [0,0,1,0,1,0|2,0,0]=4 6187 B12R1.81 CC(=O)\C=C/c1ccsc1C=O Amb27592919 [0,0,1,0,1,0|2,0,0]=4 6188 B12R1.81 CC(=O)\C=C\c1ccsc1C=O Amb27439094 [0,0,1,0,1,0|2,0,0]=4 6189 B12R1.124 C=C(C(=O)O)c1ccccc1Br Amb33389493 [0,0,1,0,1,0|2,0,0]=4 6190 B12R1.124 C=C(C(=O)O)c1ccccc1F Amb17322167 [0,0,1,0,1,0|2,0,0]=4 6191 B12R1.124 C=C(C(=O)O)c1ccccc1O Amb33196168 [0,0,1,0,1,0|2,0,0]=4 6192 B12R1.124 C=C(C(N)=O)c1ccccc1C Amb27832539 [0,0,1,0,1,0|1,0,1]=4 6193 B12R1.124 CC(=O)C(=O)c1ccccc1Br Amb17406919 [0,0,1,0,1,0|2,0,0]=4 6194 B12R1.124 CC(=O)C(=O)c1ccccc1C Amb17400103 [0,0,1,0,1,0|1,0,1]=4 6195 B12R1.124 CC(=O)C(=O)c1ccccc1Cl Amb17400961 [0,0,1,0,1,0|2,0,0]=4 6196 B12R1.124 CC(=O)C(=O)c1ccccc1F Amb17400191 [0,0,1,0,1,0|2,0,0]=4 6197 B12R1.124 CC(=O)C(=O)c1ccccc1O Amb18645956 [0,0,1,0,1,0|2,0,0]=4 6198 B12R1.478 C=C=C(C(C)=O)c1ccccc1 Amb27176046 [0,0,1,0,1,0|0,0,1]=3 6199 B12R1.478 C=CC(C(=O)O)c1ccccc1 Amb18645652 [0,0,1,0,1,0|1,0,1]=4 6200 B12R1.478 C=CC(C(N)=O)c1ccccc1 Amb25361995 [0,0,1,0,1,0|1,0,1]=4 6201 B12R1.478 CC(=O)C(=[N+]=[N-])c1ccccc1 Amb17593995 [0,0,1,0,1,0|2,0,0]=4 6202 B12R1.478 CC(=O)\C(=C/N)c1ccccc1 Amb17777807 [0,0,1,0,1,0|1,0,0]=3 6203 B12R1.478 CC(=O)\C(=C/O)c1ccccc1 Amb28461211 [0,0,1,0,1,0|1,0,0]=3 6204 B12R1.478 CC(=O)\C(=C\Cl)c1ccccc1 Amb27637656 [0,0,1,0,1,0|1,0,0]=3 6205 B12R1.478 CC(=O)\C(=C\N)c1ccccc1 Amb25238332 [0,0,1,0,1,0|1,0,0]=3 6206 B12R1.478 CC(=O)\C(=N/O)c1ccccc1 Amb31270101 [0,0,1,0,1,0|2,0,0]=4 6207 B12R1.478 C\C(Cl)=C(/C=O)c1ccccc1 Amb28185829 [0,0,1,0,1,0|2,0,0]=4 6208 B12R1.478 C\C(O)=C(\C=O)c1ccccc1 Amb17777663 [0,0,1,0,1,0|1,0,1]=4 6209 B12R1.478 C\C=C(/C(=O)O)c1ccccc1 Amb2732929 [0,0,1,0,1,0|1,0,1]=4 6210 B12R1.478 C\C=C(/C(C)=O)c1ccccc1 Amb27599390 [0,0,1,0,1,0|0,0,1]=3 6211 B12R1.478 C\C=C(\C(N)=O)c1ccccc1 Amb26563763 [0,0,1,0,1,0|1,0,1]=4 6212 B12R1.478 NC(=O)\C(=C/Cl)c1ccccc1 Amb32662952 [0,0,1,0,1,0|2,0,0]=4 6213 B12R1.1335 CC(=O)C1=CCC=CC=CC=C1 Amb25376175 [0,0,1,0,1,0|0,0,1]=3 6214 B12R1.1335 CC(=O)C1C=CC=CC=CC=C1 Amb26590744 [0,0,1,0,1,0|0,0,1]=3 6215 B12R1.1335 CC(=O)n1cccccccc1 Amb26053469 [0,0,1,0,1,0|1,0,0]=3 6216 B12R2.1 C=Cc1csc2ccccc12 Amb27409855 [1,0,0,0,1,0|1,0,1]=4 6217 B12R2.1 CCC1=CCc2ccccc21 Amb27227340 [1,0,0,0,1,0|0,0,2]=4 6218 B12R2.1 CCc1ccn2ccccc12 Amb27977884 [1,0,0,0,1,0|1,0,1]=4 6219 B12R2.1 CCc1coc2ccccc12 Amb27792683 [1,0,0,0,1,0|1,0,1]=4 6220 B12R2.1 CCn1ccc2ccccc21 Amb3708000 [1,0,0,0,1,0|1,0,1]=4 6221 B12R2.1 CNc1coc2ccccc12 Amb26039834 [1,0,0,0,1,0|2,0,0]=4 6222 B12R2.1 CNc1csc2ccccc12 Amb23403655 [1,0,0,0,1,0|2,0,0]=4 6223 B12R2.1 COC1=CCc2ccccc21 Amb17778910 [1,0,0,0,1,0|1,0,1]=4 6224 B12R2.1 COc1ccn2ccccc12 Amb28282776 [1,0,0,0,1,0|2,0,0]=4 6225 B12R2.1 COc1csc2ccccc12 Amb28320302 [1,0,0,0,1,0|2,0,0]=4 6226 B12R2.1 C\C=C1\C=Cc2ccccc21 Amb25322411 [1,0,0,0,1,0|0,0,0]=2 6227 B12R2.1 C\C=C1\CNc2ccccc21 Amb27967275 [1,0,0,0,1,0|1,0,1]=4 6228 B12R2.1 O=CC1C=Nc2ccccc21 Amb21952746 [1,0,0,0,1,0|1,0,1]=4 6229 B12R2.1 O=Cc1ccc2ccccn12 Amb18559296 [1,0,0,0,1,0|1,0,0]=3 6230 B12R2.1 O=Cc1ccc2cnccn12 Amb18202370 [1,0,0,0,1,0|2,0,0]=4 6231 B12R2.1 O=Cc1ccn2ccccc12 Amb24089168 [1,0,0,0,1,0|1,0,0]=3 6232 B12R2.1 O=Cc1cnc2ccccn12 Amb9901908 [1,0,0,0,1,0|2,0,0]=4 6233 B12R2.1 O=Cc1cnn2ccccc12 Amb18124776 [1,0,0,0,1,0|2,0,0]=4 6234 B12R2.1 O=Cc1coc2ccccc12 Amb10844786 [1,0,0,0,1,0|1,0,0]=3 6235 B12R2.1 O=Cc1coc2cccnc12 Amb22495093 [1,0,0,0,1,0|2,0,0]=4 6236 B12R2.1 O=Cc1coc2ccncc12 Amb18202345 [1,0,0,0,1,0|2,0,0]=4 6237 B12R2.1 O=Cc1coc2cnccc12 Amb22495092 [1,0,0,0,1,0|2,0,0]=4 6238 B12R2.1 O=Cc1coc2ncccc12 Amb18202347 [1,0,0,0,1,0|2,0,0]=4 6239 B12R2.1 O=Cc1csc2ccccc12 Amb1157901 [1,0,0,0,1,0|1,0,0]=3 6240 B12R2.1 O=Cc1csc2cccnc12 Amb18662694 [1,0,0,0,1,0|2,0,0]=4 6241 B12R2.1 O=Cc1csc2ccncc12 Amb18139569 [1,0,0,0,1,0|2,0,0]=4 6242 B12R2.1 O=Cc1csc2cnccc12 Amb18135843 [1,0,0,0,1,0|2,0,0]=4 6243 B12R2.1 O=Cc1csc2ncccc12 Amb18139558 [1,0,0,0,1,0|2,0,0]=4 6244 B12R2.1 O=Cc1ncc2ccccn12 Amb18124774 [1,0,0,0,1,0|2,0,0]=4 6245 B12R2.1 O=Cc1ncn2ccccc12 Amb18559503 [1,0,0,0,1,0|2,0,0]=4 6246 B12R2.1 O=Cc1occ2ccccc12 Amb27793276 [1,0,0,0,1,0|1,0,0]=3 6247 B12R2.1 O=Cc1onc2ccccc12 Amb18831437 [1,0,0,0,1,0|2,0,0]=4 6248 B12R2.1 O=Cc1snc2ccccc12 Amb26948515 [1,0,0,0,1,0|2,0,0]=4 6249 B12R2.1 O=Nc1ccc2ccccn12 Amb28203842 [1,0,0,0,1,0|2,0,0]=4 6250 B12R2.32 C=Cc1cc2ccccc2s1 Amb28186077 [1,0,0,0,1,0|1,0,1]=4 6251 B12R2.32 CCC1=Cc2ccccc2C1 Amb6357923 [1,0,0,0,1,0|0,0,2]=4 6252 B12R2.32 CCc1cc2ccccc2o1 Amb6608886 [1,0,0,0,1,0|1,0,1]=4 6253 B12R2.32 CCc1cc2ccccn2c1 Amb27621615 [1,0,0,0,1,0|1,0,1]=4 6254 B12R2.32 CNc1cc2ccccc2s1 Amb27428924 [1,0,0,0,1,0|2,0,0]=4 6255 B12R2.32 COc1cc2ccccc2o1 Amb27962930 [1,0,0,0,1,0|2,0,0]=4 6256 B12R2.32 CSc1cc2ccccn2c1 Amb27186368 [1,0,0,0,1,0|2,0,0]=4 6257 B12R2.32 O=CC1=CC2C=CC=CC2=C1 Amb28145758 [1,0,0,0,1,0|0,0,1]=3 6258 B12R2.32 O=CC1=Cc2ccccc2C1 Amb18644150 [1,0,0,0,1,0|0,0,1]=3 6259 B12R2.32 O=Cc1cc2ccccc2o1 Amb1156936 [1,0,0,0,1,0|1,0,0]=3 6260 B12R2.32 O=Cc1cc2ccccc2s1 Amb2447439 [1,0,0,0,1,0|1,0,0]=3 6261 B12R2.32 O=Cc1cc2ccccn2c1 Amb26954646 [1,0,0,0,1,0|1,0,0]=3 6262 B12R2.32 O=Cc1cc2ccccn2n1 Amb10067626 [1,0,0,0,1,0|2,0,0]=4 6263 B12R2.32 O=Cc1cc2cccnc2o1 Amb18202346 [1,0,0,0,1,0|2,0,0]=4 6264 B12R2.32 O=Cc1cc2cccnc2s1 Amb2723081 [1,0,0,0,1,0|2,0,0]=4 6265 B12R2.32 O=Cc1cc2cccnn2c1 Amb27263695 [1,0,0,0,1,0|2,0,0]=4 6266 B12R2.32 O=Cc1cc2ccncc2s1 Amb13890511 [1,0,0,0,1,0|2,0,0]=4 6267 B12R2.32 O=Cc1cc2cnccc2o1 Amb18124811 [1,0,0,0,1,0|2,0,0]=4 6268 B12R2.32 O=Cc1cc2cnccc2s1 Amb18139393 [1,0,0,0,1,0|2,0,0]=4 6269 B12R2.32 O=Cc1cc2cnccn2c1 Amb18202369 [1,0,0,0,1,0|2,0,0]=4 6270 B12R2.32 O=Cc1cc2ncccc2o1 Amb18124810 [1,0,0,0,1,0|2,0,0]=4 6271 B12R2.32 O=Cc1cc2ncccc2s1 Amb18126370 [1,0,0,0,1,0|2,0,0]=4 6272 B12R2.32 O=Cc1cn2ccccc2n1 Amb2723503 [1,0,0,0,1,0|2,0,0]=4 6273 B12R2.32 O=Cc1nc2ccccc2o1 Amb2820047 [1,0,0,0,1,0|2,0,0]=4 6274 B12R2.32 O=Cc1nc2ccccc2s1 Amb2723094 [1,0,0,0,1,0|2,0,0]=4 6275 B12R2.32 OC=C1C=C2C=CC=CC2=C1 Amb27947827 [1,0,0,0,1,0|0,0,1]=3 6276 B12R2.32 O\C=C1\C=C2C=CC=CC2=N1 Amb26342374 [1,0,0,0,1,0|1,0,1]=4 6277 B12R2.44 C=Cc1ccc2occc2c1 Amb27951918 [1,0,0,0,1,0|1,0,1]=4 6278 B12R2.44 CCc1ccc2sccc2c1 Amb24727277 [1,0,0,0,1,0|1,0,1]=4 6279 B12R2.44 COc1ccc2c(c1)C=CC2 Amb2383764 [1,0,0,0,1,0|1,0,1]=4 6280 B12R2.44 COc1ccc2c(c1)CC=C2 Amb21857137 [1,0,0,0,1,0|1,0,1]=4 6281 B12R2.44 COc1ccc2ccoc2c1 Amb21962786 [1,0,0,0,1,0|2,0,0]=4 6282 B12R2.44 COc1ccc2ccsc2c1 Amb22001743 [1,0,0,0,1,0|2,0,0]=4 6283 B12R2.44 COc1ccc2occc2c1 Amb2689090 [1,0,0,0,1,0|2,0,0]=4 6284 B12R2.44 COc1ccc2sccc2c1 Amb8439416 [1,0,0,0,1,0|2,0,0]=4 6285 B12R2.44 CSc1ccc2occc2c1 Amb24070819 [1,0,0,0,1,0|2,0,0]=4 6286 B12R2.44 O=Cc1cc2cccn2cn1 Amb24082049 [1,0,0,0,1,0|2,0,0]=4 6287 B12R2.44 O=Cc1cc2ccoc2cn1 Amb18831431 [1,0,0,0,1,0|2,0,0]=4 6288 B12R2.44 O=Cc1cc2ccsc2cn1 Amb18199797 [1,0,0,0,1,0|2,0,0]=4 6289 B12R2.44 O=Cc1ccc2c(c1)C=CC2 Amb24089076 [1,0,0,0,1,0|0,0,1]=3 6290 B12R2.44 O=Cc1ccc2ccoc2c1 Amb18831461 [1,0,0,0,1,0|1,0,0]=3 6291 B12R2.44 O=Cc1ccc2ccoc2n1 Amb18831432 [1,0,0,0,1,0|2,0,0]=4 6292 B12R2.44 O=Cc1ccc2ccsc2c1 Amb18126339 [1,0,0,0,1,0|1,0,0]=3 6293 B12R2.44 O=Cc1ccc2ccsc2n1 Amb18199793 [1,0,0,0,1,0|2,0,0]=4 6294 B12R2.44 O=Cc1ccc2cnsc2c1 Amb27953105 [1,0,0,0,1,0|2,0,0]=4 6295 B12R2.44 O=Cc1ccc2cocc2c1 Amb18831460 [1,0,0,0,1,0|1,0,0]=3 6296 B12R2.44 O=Cc1ccc2cscc2c1 Amb18829622 [1,0,0,0,1,0|1,0,0]=3 6297 B12R2.44 O=Cc1ccc2csnc2c1 Amb18199791 [1,0,0,0,1,0|2,0,0]=4 6298 B12R2.44 O=Cc1ccc2nccn2c1 Amb2723523 [1,0,0,0,1,0|2,0,0]=4 6299 B12R2.44 O=Cc1ccc2ncoc2c1 Amb18831439 [1,0,0,0,1,0|2,0,0]=4 6300 B12R2.44 O=Cc1ccc2ncsc2c1 Amb18829272 [1,0,0,0,1,0|2,0,0]=4 6301 B12R2.44 O=Cc1ccc2nocc2c1 Amb18831435 [1,0,0,0,1,0|2,0,0]=4 6302 B12R2.44 O=Cc1ccc2occc2c1 Amb2723109 [1,0,0,0,1,0|1,0,0]=3 6303 B12R2.44 O=Cc1ccc2occc2n1 Amb18202342 [1,0,0,0,1,0|2,0,0]=4 6304 B12R2.44 O=Cc1ccc2ocnc2c1 Amb18831438 [1,0,0,0,1,0|2,0,0]=4 6305 B12R2.44 O=Cc1ccc2oncc2c1 Amb33547526 [1,0,0,0,1,0|2,0,0]=4 6306 B12R2.44 O=Cc1ccc2sccc2c1 Amb1995220 [1,0,0,0,1,0|1,0,0]=3 6307 B12R2.44 O=Cc1ccc2sccc2n1 Amb18829270 [1,0,0,0,1,0|2,0,0]=4 6308 B12R2.44 O=Cc1ccc2scnc2c1 Amb18199800 [1,0,0,0,1,0|2,0,0]=4 6309 B12R2.44 O=Cc1ccc2sncc2c1 Amb27827505 [1,0,0,0,1,0|2,0,0]=4 6310 B12R2.44 O=Cc1ccn2ccnc2c1 Amb18831455 [1,0,0,0,1,0|2,0,0]=4 6311 B12R2.44 O=Cc1ccn2cncc2c1 Amb24679303 [1,0,0,0,1,0|2,0,0]=4 6312 B12R2.44 O=Cc1ccn2nccc2c1 Amb18202365 [1,0,0,0,1,0|2,0,0]=4 6313 B12R2.44 O=Cc1cnc2ccoc2c1 Amb13890159 [1,0,0,0,1,0|2,0,0]=4 6314 B12R2.44 O=Cc1cnc2ccsc2c1 Amb18645861 [1,0,0,0,1,0|2,0,0]=4 6315 B12R2.44 O=Cc1cnc2occc2c1 Amb18202339 [1,0,0,0,1,0|2,0,0]=4 6316 B12R2.1362 CC(=O)c1ccc2n1CC=C2 Amb25759488 [0,0,0,0,2,0|1,0,1]=4 6317 B12R2.3190 CC(=O)C1Cc2ccccc21 Amb28066759 [0,0,0,0,2,0|0,0,2]=4 6318 B12R2.3190 CC(=O)N1Cc2ccccc21 Amb25148191 [0,0,0,0,2,0|1,0,1]=4 6319 B12R2.3190 O=C(Cl)C1=C2C=CC=CC2=C1 Amb25779648 [0,0,0,0,2,0|1,0,0]=3 6320 B12R2.3190 O=C(O)C1=Cc2ccccc21 Amb17593654 [0,0,0,0,2,0|1,0,0]=3 6321 B12R2.252 CC(=O)C1=Cc2cccn2C1 Amb27243839 [0,0,0,0,2,0|1,0,1]=4 6322 B12R2.252 CC(=O)c1cc2ccsc2s1 Amb18823587 [0,0,0,0,2,0|2,0,0]=4 6323 B12R2.252 CC(=O)c1cc2cscc2s1 Amb30026590 [0,0,0,0,2,0|2,0,0]=4 6324 B12R2.252 CC(=O)c1cc2sccc2s1 Amb18823588 [0,0,0,0,2,0|2,0,0]=4 6325 B12R2.1384 CC(=O)c1ccc2c(c1)C=C2 Amb27199064 [0,0,0,0,2,0|0,0,0]=2 6326 B12R2.1384 CC(=O)c1ccc2c(c1)CC2 Amb26475473 [0,0,0,0,2,0|0,0,2]=4 6327 B14R1.68 C=CCCc1ccc(OC(C)=O)cc1 Amb6299147 [0,0,1,0,0,1|0,0,2]=4 6328 B14R1.68 C=CCOc1ccc(NC(C)=O)cc1 Amb6540574 [0,0,1,0,0,1|1,0,1]=4 6329 B14R1.68 C=C\C=C\c1ccc(NC(C)=O)cc1 Amb24694203 [0,0,1,0,0,1|0,0,0]=2 6330 B14R1.68 CC(=O)Nc1ccc(\C=C\C=O)cc1 Amb31293914 [0,0,1,0,0,1|1,0,0]=3 6331 B14R1.68 CC(=O)Nc1ccc(\C=C\CN)cc1 Amb33324063 [0,0,1,0,0,1|1,0,1]=4 6332 B14R1.68 CC(=O)Nc1ccc(\C=C\CO)cc1 Amb33450097 [0,0,1,0,0,1|1,0,1]=4 6333 B14R1.68 C\C=C\Cc1ccc(NC(C)=O)cc1 Amb27403096 [0,0,1,0,0,1|0,0,2]=4 6334 B14R1.68 C\C=C\Oc1ccc(NC(C)=O)cc1 Amb28364394 [0,0,1,0,0,1|1,0,1]=4 6335 B14R1.140 C=CCc1ccc(NC(C)=O)cc1O Amb2610352 [0,0,1,0,0,1|1,0,1]=4 6336 B14R1.159 CC(=O)\C=C\C=C\c1ccccc1Br Amb31141064 [0,0,1,0,0,1|1,0,0]=3 6337 B14R1.159 CC(=O)\C=C\C=C\c1ccccc1C Amb31185800 [0,0,1,0,0,1|0,0,1]=3 6338 B14R1.159 CC(=O)\C=C\C=C\c1ccccc1Cl Amb31117339 [0,0,1,0,0,1|1,0,0]=3 6339 B14R1.159 CC(=O)\C=C\C=C\c1ccccc1F Amb31135000 [0,0,1,0,0,1|1,0,0]=3 6340 B14R1.159 Cc1ccccc1\C=C\C=C\C(=O)O Amb31134949 [0,0,1,0,0,1|1,0,1]=4 6341 B14R1.159 Nc1ccccc1\C=C\C=C\C(=O)O Amb27791740 [0,0,1,0,0,1|2,0,0]=4 6342 B14R1.159 O=C(O)\C=C\C=C\c1ccccc1Br Amb31141238 [0,0,1,0,0,1|2,0,0]=4 6343 B14R1.159 O=C(O)\C=C\C=C\c1ccccc1Cl Amb31117698 [0,0,1,0,0,1|2,0,0]=4 6344 B14R1.159 O=C(O)\C=C\C=C\c1ccccc1F Amb31135018 [0,0,1,0,0,1|2,0,0]=4 6345 B14R1.818 C=C(\C=C\c1ccccc1)NC(C)=O Amb27210869 [0,0,1,0,0,1|0,0,0]=2 6346 B14R1.818 CC(=C\C(=O)O)\C=C\c1ccccc1 Amb533208 [0,0,1,0,0,1|1,0,1]=4 6347 B14R1.818 CC(=O)CC(=O)\C=C\c1ccccc1 Amb17594879 [0,0,1,0,0,1|1,0,0]=3 6348 B14R1.818 CC(=O)NC(=O)\C=C/c1ccccn1 Amb27464445 [0,0,1,0,0,1|2,0,0]=4 6349 B14R1.818 CC(=O)NC(=O)\C=C\c1ccccn1 Amb27879510 [0,0,1,0,0,1|2,0,0]=4 6350 B14R1.818 CC(\C=C/c1ccccc1)=C\C(=O)[O-] Amb533482 [0,0,1,0,0,1|1,0,1]=4 6351 B14R1.818 CC(\C=C\c1ccccc1)=C/C(=O)O Amb28524781 [0,0,1,0,0,1|1,0,1]=4 6352 B14R1.818 NC(=O)NC(=O)\C=C\c1ccccc1 Amb25291849 [0,0,1,0,0,1|2,0,0]=4 6353 B14R1.818 O=C(O)\C=C(O)/C=C/c1ccccc1 Amb27776832 [0,0,1,0,0,1|2,0,0]=4 6354 B14R1.818 O=C(O)\C=C(O)\C=C\c1ccccc1 Amb27191512 [0,0,1,0,0,1|2,0,0]=4 6355 B14R1.6449 CC(=O)C(=O)\C=C/Nc1ccccc1 Amb28187044 [0,0,1,0,0,1|1,0,0]=3 6356 B14R1.6449 CC(=O)\C(C)=C\C=C\c1ccccc1 Amb28401501 [0,0,1,0,0,1|0,0,1]=3 6357 B14R1.6449 C\C(=C/C=C/c1ccccc1)C(=O)O Amb615987 [0,0,1,0,0,1|1,0,1]=4 6358 B14R1.6449 C\C(=C\C=C\c1ccccc1)C(N)=O Amb27818106 [0,0,1,0,0,1|1,0,1]=4 6359 B14R1.6449 O=C(O)C(=O)C\C=C\c1ccccc1 Amb33081312 [0,0,1,0,0,1|2,0,0]=4 6360 B14R1.6449 O=C(O)\C(O)=C\C=C\c1ccccc1 Amb27863562 [0,0,1,0,0,1|2,0,0]=4 6361 B14R1.6449 O=C(O)\C(S)=C/C=C/c1ccccc1 Amb2480105 [0,0,1,0,0,1|2,0,0]=4 6362 B14R1.6449 O=C(O)\C(S)=C\C=C\c1ccccc1 Amb1218848 [0,0,1,0,0,1|2,0,0]=4 6363 B14R1.439 C=CCc1cc(NC(C)=O)ccc1O Amb10782051 [0,0,1,0,0,1|1,0,1]=4 6364 B14R1.549 C=C(C)C\C(C=O)=C/c1ccccc1 Amb17594833 [0,0,1,0,0,1|2,0,0]=4 6365 B14R1.549 C=C(C)C\C(C=O)=C\c1ccccc1 Amb534618 [0,0,1,0,0,1|2,0,0]=4 6366 B14R1.549 C=CC(Cc1ccccc1)NC(C)=O Amb24096354 [0,0,1,0,0,1|0,0,2]=4 6367 B14R1.778 C=CCCc1cccc(OC(C)=O)c1 Amb6299139 [0,0,1,0,0,1|0,0,2]=4 6368 B14R1.778 C=CCOc1cccc(NC(C)=O)c1 Amb2040447 [0,0,1,0,0,1|1,0,1]=4 6369 B14R1.778 CC(=O)Nc1cccc(\C=C\C=O)c1 Amb33344567 [0,0,1,0,0,1|1,0,0]=3 6370 B14R1.778 CC(=O)Nc1cccc(\C=C\CN)c1 Amb33344564 [0,0,1,0,0,1|1,0,1]=4 6371 B14R1.778 CC(=O)Nc1cccc(\C=C\CO)c1 Amb33344566 [0,0,1,0,0,1|1,0,1]=4 6372 B14R2.93 Cl\C=C1\C=Cc2ccccc2OC1 Amb28458373 [1,0,0,0,0,1|1,0,1]=4 6373 B14R2.93 ON=C1C=Cc2ccccc2C=C1 Amb22365071 [1,0,0,0,0,1|1,0,1]=4 6374 B14R2.143 NCC1=Cc2ccccc2OC=C1 Amb20668876 [1,0,0,0,0,1|1,0,1]=4 6375 B14R2.1008 CC(=O)Cc1ccc2ccoc2c1 Amb22054403 [0,0,0,0,1,1|1,0,0]=3 6376 B14R2.1008 CC(=O)Cc1ccc2ncoc2c1 Amb18243605 [0,0,0,0,1,1|2,0,0]=4 6377 B14R2.1008 CC(=O)Cc1ccc2occc2c1 Amb25767854 [0,0,0,0,1,1|1,0,0]=3 6378 B14R2.1008 CC(=O)Cc1ccc2ocnc2c1 Amb18893602 [0,0,0,0,1,1|2,0,0]=4 6379 B14R2.1008 CC(=O)Cc1ccc2scnc2c1 Amb18243977 [0,0,0,0,1,1|2,0,0]=4 6380 B14R2.1008 CC(=O)Nc1ccc2cnoc2c1 Amb27965764 [0,0,0,0,1,1|2,0,0]=4 6381 B14R2.1008 CC(=O)Nc1ccc2occc2n1 Amb28204077 [0,0,0,0,1,1|2,0,0]=4 6382 B14R2.1008 CC(=O)Nc1ccc2scnc2c1 Amb2667821 [0,0,0,0,1,1|2,0,0]=4 6383 B14R2.1008 CC(=O)Nc1ccc2scnc2c1 Amb33038211 [0,0,0,0,1,1|2,0,0]=4 6384 B14R2.1008 CC(=O)Nc1ccn2nccc2c1 Amb28470579 [0,0,0,0,1,1|2,0,0]=4 6385 B14R2.1008 CC(=O)Oc1ccc2ccoc2c1 Amb27796472 [0,0,0,0,1,1|1,0,0]=3 6386 B14R2.1008 CC(=O)Oc1ccc2cnoc2c1 Amb28367773 [0,0,0,0,1,1|2,0,0]=4 6387 B14R2.1008 CC(=O)Oc1ccc2ncoc2c1 Amb27239963 [0,0,0,0,1,1|2,0,0]=4 6388 B14R2.1008 CC(=O)Oc1ccc2ncsc2c1 Amb27441917 [0,0,0,0,1,1|2,0,0]=4 6389 B14R2.1008 CC(=O)Oc1ccc2occc2c1 Amb27441514 [0,0,0,0,1,1|1,0,0]=3 6390 B14R2.1008 CC(=O)Oc1ccc2sccc2c1 Amb28410654 [0,0,0,0,1,1|1,0,0]=3 6391 B14R2.1008 CC(=O)Oc1ccc2scnc2c1 Amb28203139 [0,0,0,0,1,1|2,0,0]=4 6392 B14R2.1008 CC(=O)Oc1cnc2ccoc2c1 Amb27968072 [0,0,0,0,1,1|2,0,0]=4 6393 B14R2.1008 CC(=O)Oc1cnc2occc2c1 Amb27841877 [0,0,0,0,1,1|2,0,0]=4 6394 B14R2.1008 CC(=S)Nc1ccc2occc2c1 Amb27863893 [0,0,0,0,1,1|1,1,0]=4 6395 B14R2.1008 CC(=S)Nc1ccc2sccc2c1 Amb27797319 [0,0,0,0,1,1|1,1,0]=4 6396 B14R2.1008 O=C(Cl)Nc1ccc2sccc2c1 Amb35625729 [0,0,0,0,1,1|2,0,0]=4 6397 B14R2.1008 O=C(O)Cc1ccc2ccoc2c1 Amb18197053 [0,0,0,0,1,1|2,0,0]=4 6398 B14R2.1008 O=C(O)Cc1ccc2occc2c1 Amb18197066 [0,0,0,0,1,1|2,0,0]=4 6399 B14R2.1008 O=C(O)Cc1ccc2sccc2c1 Amb27179279 [0,0,0,0,1,1|2,0,0]=4 6400 B16R2.477 C=C(Br)CCc1ccc2ccccc2c1 Amb6299568 [0,0,0,0,0,2|1,0,1]=4 6401 B16R2.477 C=C(C)CCc1ccc2ccccc2c1 Amb6299570 [0,0,0,0,0,2|1,0,0]=3 6402 B16R2.477 C=C(Cl)CCc1ccc2ccccc2c1 Amb6299566 [0,0,0,0,0,2|1,0,1]=4 6403 B16R2.477 CC(=O)CCc1ccc2ccccc2c1 Amb28041962 [0,0,0,0,0,2|0,0,0]=2 6404 B16R2.477 CC(=O)CCc1ccc2ccccc2n1 Amb25122255 [0,0,0,0,0,2|1,0,0]=3 6405 B16R2.477 CC(=O)CCc1ccc2cccnc2c1 Amb24732296 [0,0,0,0,0,2|1,0,0]=3 6406 B16R2.477 CC(=O)CCc1ccc2ncccc2c1 Amb24345319 [0,0,0,0,0,2|1,0,0]=3 6407 B16R2.477 CC(=O)CCc1cnc2ccccc2c1 Amb8454845 [0,0,0,0,0,2|1,0,0]=3 6408 B16R2.477 CC(=O)CCc1cnc2ccccc2n1 Amb24648465 [0,0,0,0,0,2|2,0,0]=4 6409 B16R2.477 CC(=O)COc1ccc2ncccc2c1 Amb18354948 [0,0,0,0,0,2|1,0,0]=3 6410 B16R2.477 CC(=O)CSc1ccc2ccccc2c1 Amb4857692 [0,0,0,0,0,2|0,0,0]=2 6411 B16R2.477 CC(=O)CSc1ccc2ccccc2n1 Amb26042230 [0,0,0,0,0,2|1,0,0]=3 6412 B16R2.477 CC(=O)NNc1ccc2ccccc2c1 Amb22039473 [0,0,0,0,0,2|0,0,0]=2 6413 B16R2.477 CC(=O)OCc1ccc2ccccc2n1 Amb528116 [0,0,0,0,0,2|1,0,0]=3 6414 B16R2.477 CC(=O)\C=C\c1ccc2ccccc2c1 Amb27603881 [0,0,0,0,0,2|0,0,0]=2 6415 B16R2.477 CC(=O)\C=C\c1ccc2ccccc2n1 Amb578377 [0,0,0,0,0,2|1,0,0]=3 6416 B16R2.477 CC(=O)\C=C\c1ccc2cccnc2c1 Amb32878555 [0,0,0,0,0,2|1,0,0]=3 6417 B16R2.477 CC(=O)\C=C\c1ccc2ncccc2c1 Amb27447741 [0,0,0,0,0,2|1,0,0]=3 6418 B16R2.477 CC(=O)\C=C\c1cnc2ccccc2c1 Amb33324367 [0,0,0,0,0,2|1,0,0]=3 6419 B16R2.477 CC(=O)\C=C\c1cnc2ccccc2n1 Amb33473921 [0,0,0,0,0,2|2,0,0]=4 6420 B16R2.477 CC(Br)\C=C\c1ccc2ccccc2c1 Amb27402324 [0,0,0,0,0,2|1,0,1]=4 6421 B16R2.477 CC(C)NCc1ccc2ccccc2c1 Amb6685361 [0,0,0,0,0,2|1,0,1]=4 6422 B16R2.477 CC(Cl)CCc1ccc2ccccc2c1 Amb27873054 [0,0,0,0,0,2|1,0,1]=4 6423 B16R2.477 CC(N)CCc1ccc2ccccc2c1 Amb33359116 [0,0,0,0,0,2|1,0,1]=4 6424 B16R2.477 CC(N)\C=C\c1ccc2ccccc2c1 Amb33171935 [0,0,0,0,0,2|1,0,1]=4 6425 B16R2.477 CC(O)CCc1ccc2ccccc2c1 Amb33429892 [0,0,0,0,0,2|0,0,2]=4 6426 B16R2.477 CC(O)COc1ccc2ccccc2c1 Amb22339930 [0,0,0,0,0,2|0,0,2]=4 6427 B16R2.477 C[C@@H](N)CCc1ccc2ccccc2c1 Amb33474915 [0,0,0,0,0,2|1,0,1]=4 6428 B16R2.477 C[C@@H](N)COc1ccc2ccccc2c1 Amb18538578 [0,0,0,0,0,2|1,0,1]=4 6429 B16R2.477 C[C@@H](O)CCc1ccc2ccccc2c1 Amb33362161 [0,0,0,0,0,2|0,0,2]=4 6430 B16R2.477 C[C@H](N)CCc1ccc2ccccc2c1 Amb33079342 [0,0,0,0,0,2|1,0,1]=4 6431 B16R2.477 C[C@H](O)CCc1ccc2ccccc2c1 Amb33362162 [0,0,0,0,0,2|0,0,2]=4 6432 B16R2.477 NC(=O)CCc1cc2ccccc2cn1 Amb32429869 [0,0,0,0,0,2|2,0,0]=4 6433 B16R2.477 NC(=O)CCc1ccc2cccnc2c1 Amb18354041 [0,0,0,0,0,2|2,0,0]=4 6434 B16R2.477 NC(=O)CCc1ccc2ccncc2c1 Amb18354109 [0,0,0,0,0,2|2,0,0]=4 6435 B16R2.477 NC(=O)CCc1ccc2cnccc2c1 Amb18354111 [0,0,0,0,0,2|2,0,0]=4 6436 B16R2.477 NC(=O)CCc1ccc2ncccc2c1 Amb19106569 [0,0,0,0,0,2|2,0,0]=4 6437 B16R2.477 NC(=O)COc1ccc2ccccc2c1 Amb3836175 [0,0,0,0,0,2|1,0,0]=3 6438 B16R2.477 NC(=O)COc1ccc2cccnc2c1 Amb18355052 [0,0,0,0,0,2|2,0,0]=4 6439 B16R2.477 NC(=O)COc1ccc2ccncc2c1 Amb18355025 [0,0,0,0,0,2|2,0,0]=4 6440 B16R2.477 NC(=O)COc1ccc2cnccc2c1 Amb18355031 [0,0,0,0,0,2|2,0,0]=4 6441 B16R2.477 NC(=S)COc1ccc2ccccc2c1 Amb2568494 [0,0,0,0,0,2|1,1,0]=4 6442 B16R2.477 O=C(Cl)COc1ccc2ccccc2c1 Amb10880006 [0,0,0,0,0,2|1,0,0]=3 6443 B16R2.477 O=C(O)C#Cc1ccc2ccccc2c1 Amb4137720 [0,0,0,0,0,2|1,0,0]=3 6444 B16R2.477 O=C(O)C#Cc1ccc2ccccc2n1 Amb20668350 [0,0,0,0,0,2|2,0,0]=4 6445 B16R2.477 O=C(O)C#Cc1ccc2cccnc2c1 Amb28347249 [0,0,0,0,0,2|2,0,0]=4 6446 B16R2.477 O=C(O)C#Cc1cnc2ccccc2c1 Amb28186100 [0,0,0,0,0,2|2,0,0]=4 6447 B16R2.477 O=C(O)CCc1ccc2ccccc2c1 Amb3934499 [0,0,0,0,0,2|1,0,0]=3 6448 B16R2.477 O=C(O)CCc1ccc2ccccc2n1 Amb2320110 [0,0,0,0,0,2|2,0,0]=4 6449 B16R2.477 O=C(O)CCc1ccc2cccnc2c1 Amb18354032 [0,0,0,0,0,2|2,0,0]=4 6450 B16R2.477 O=C(O)CCc1ccc2ccncc2c1 Amb18353951 [0,0,0,0,0,2|2,0,0]=4 6451 B16R2.477 O=C(O)CCc1ccc2cnccc2c1 Amb18353952 [0,0,0,0,0,2|2,0,0]=4 6452 B16R2.477 O=C(O)CCc1ccc2ncccc2c1 Amb18354030 [0,0,0,0,0,2|2,0,0]=4 6453 B16R2.477 O=C(O)CCc1cnc2ccccc2c1 Amb18653534 [0,0,0,0,0,2|2,0,0]=4 6454 B16R2.477 O=C(O)CNc1ccc2ccccc2c1 Amb4598585 [0,0,0,0,0,2|1,0,0]=3 6455 B16R2.477 O=C(O)CNc1ccc2ccccc2n1 Amb6262374 [0,0,0,0,0,2|2,0,0]=4 6456 B16R2.477 O=C(O)CNc1cnc2ccccc2c1 Amb18933565 [0,0,0,0,0,2|2,0,0]=4 6457 B16R2.477 O=C(O)COc1ccc2ccccc2c1 Amb1830480 [0,0,0,0,0,2|1,0,0]=3 6458 B16R2.477 O=C(O)COc1ccc2ccccc2n1 Amb25193627 [0,0,0,0,0,2|2,0,0]=4 6459 B16R2.477 O=C(O)COc1ccc2cccnc2c1 Amb18354949 [0,0,0,0,0,2|2,0,0]=4 6460 B16R2.477 O=C(O)COc1ccc2ccncc2c1 Amb19107693 [0,0,0,0,0,2|2,0,0]=4 6461 B16R2.477 O=C(O)COc1ccc2ncccc2c1 Amb4574096 [0,0,0,0,0,2|2,0,0]=4 6462 B16R2.477 O=C(O)COc1cnc2ccccc2c1 Amb27870338 [0,0,0,0,0,2|2,0,0]=4 6463 B16R2.477 O=C(O)CSc1ccc2ccccc2c1 Amb1212229 [0,0,0,0,0,2|1,0,0]=3 6464 B16R2.477 O=C(O)\C=C\c1cc2ccccc2cn1 Amb32429871 [0,0,0,0,0,2|2,0,0]=4 6465 B16R2.477 O=C(O)\C=C\c1ccc2ccccc2c1 Amb33788000 [0,0,0,0,0,2|1,0,0]=3 6466 B16R2.477 O=C(O)\C=C\c1ccc2ccccc2n1 Amb6315825 [0,0,0,0,0,2|2,0,0]=4 6467 B16R2.477 O=C(O)\C=C\c1ccc2cccnc2c1 Amb33171755 [0,0,0,0,0,2|2,0,0]=4 6468 B16R2.477 O=C(O)\C=C\c1ccc2ccncc2c1 Amb18354833 [0,0,0,0,0,2|2,0,0]=4 6469 B16R2.477 O=C(O)\C=C\c1ccc2cnccc2c1 Amb18354834 [0,0,0,0,0,2|2,0,0]=4 6470 B16R2.477 O=C(O)\C=C\c1ccc2ncccc2c1 Amb1120648 [0,0,0,0,0,2|2,0,0]=4 6471 B16R2.477 O=C(O)\C=C\c1cnc2ccccc2c1 Amb2419347 [0,0,0,0,0,2|2,0,0]=4 6472 B16R2.477 O=C([O-])\C=C\c1ccc2ccccc2c1 Amb33513309 [0,0,0,0,0,2|1,0,0]=3 6473 B16R2.477 O=[N+]([O-])CCc1ccc2ccccc2c1 Amb33361940 [0,0,0,0,0,2|2,0,0]=4 6474 B16R2.477 O=[N+]([O-])\C=C\c1ccc2ccccc2c1 Amb25827761 [0,0,0,0,0,2|2,0,0]=4