0 B18R2.32800 CC(O)(c1ccccc1Br)c2ccccc2Br Amb22547005 [0,0,0,0,0,0|3,0,0]=3 1 B18R2.32800 O=S(=O)(c1ccccc1O)c2ccccc2O Amb17596884 [0,0,0,0,0,0|3,0,0]=3 2 B17R2.3434 CC(C)(c1ccccc1)c2ccccc2O Amb24079809 [1,0,0,0,0,0|0,0,0]=1 3 B17R2.3434 CC(O)(c1ccccc1)c2cccnc2Br Amb28990972 [1,0,0,0,0,0|3,0,0]=4 4 B17R2.3434 Cc1ncccc1C(C)(C)c2ccccc2 Amb24084732 [1,0,0,0,0,0|2,0,0]=3 5 B17R2.3434 FC(F)(c1ccccc1)c2ccccc2Cl Amb19894591 [1,0,0,0,0,0|3,0,0]=4 6 B17R2.20511 Cc1ccccc1C(N)c2ccccc2Br Amb7094592 [1,0,0,0,0,0|3,0,0]=4 7 B17R2.20511 Cc1ccccc1C(N)c2ccccc2C Amb17240973 [1,0,0,0,0,0|3,0,0]=4 8 B17R2.20511 Cc1ccccc1C(N)c2ccccc2Cl Amb7094582 [1,0,0,0,0,0|3,0,0]=4 9 B17R2.20511 Cc1ccccc1C(N)c2ccccc2F Amb17241964 [1,0,0,0,0,0|3,0,0]=4 10 B17R2.20511 Cc1ccccc1C(O)c2ccccc2C Amb10559121 [1,0,0,0,0,0|3,0,0]=4 11 B17R2.20511 Cc1ccccc1C(O)c2ccccc2Cl Amb17250536 [1,0,0,0,0,0|3,0,0]=4 12 B17R2.20511 Cc1ccccc1C(O)c2ccccc2F Amb17242244 [1,0,0,0,0,0|3,0,0]=4 13 B17R2.20511 N=C(c1ccccc1O)c2ccccc2O Amb17595780 [1,0,0,0,0,0|1,0,1]=3 14 B17R2.20511 NC(c1ccccc1F)c2ccccc2Cl Amb17252612 [1,0,0,0,0,0|3,0,0]=4 15 B17R2.20511 NC(c1ccccc1F)c2ccccc2F Amb17243561 [1,0,0,0,0,0|3,0,0]=4 16 B17R2.20511 O=C(c1ccccc1O)c2ccccc2O Amb9795956 [1,0,0,0,0,0|1,0,1]=3 17 B17R2.20511 OC(c1ccccc1Cl)c2ccccc2Br Amb22547017 [1,0,0,0,0,0|3,0,0]=4 18 B17R2.20511 OC(c1ccccc1Cl)c2ccccc2Cl Amb4004377 [1,0,0,0,0,0|3,0,0]=4 19 B17R2.20511 OC(c1ccccc1F)c2ccccc2Cl Amb17253366 [1,0,0,0,0,0|3,0,0]=4 20 B17R2.20511 OC(c1ccccc1F)c2ccccc2F Amb17244113 [1,0,0,0,0,0|3,0,0]=4 21 B19R2.29247 Cc1ccccc1[Si](C)(C)c2ccccc2CO Amb22167104 [0,1,0,0,0,0|1,1,0]=3 22 B19R2.310730 COC(C)(c1ccccc1Br)c2ccccc2Br Amb22546674 [0,1,0,0,0,0|2,0,0]=3 23 B19R2.310730 COC(C)(c1ccccc1Cl)c2ccccc2Br Amb22546995 [0,1,0,0,0,0|2,0,0]=3 24 B16R2.2945 CC(C)(c1ccccc1)c2ccccc2 Amb6357389 [2,0,0,0,0,0|0,0,0]=2 25 B16R2.2945 CC(N)(c1ccccc1)c2ccccc2 Amb4313173 [2,0,0,0,0,0|1,0,0]=3 26 B16R2.2945 CC(O)(c1ccccc1)c2ccccc2 Amb2221720 [2,0,0,0,0,0|1,0,0]=3 27 B16R2.2945 CC(O)(c1ccccc1)c2ccccn2 Amb2226916 [2,0,0,0,0,0|2,0,0]=4 28 B16R2.2945 CC(O)(c1ccccc1)c2ccncc2 Amb21970324 [2,0,0,0,0,0|2,0,0]=4 29 B16R2.2945 CP(=O)(c1ccccc1)c2ccccc2 Amb1145649 [2,0,0,0,0,0|2,0,0]=4 30 B16R2.2945 C[P+](C)(c1ccccc1)c2ccccc2 Amb4017804 [2,0,0,0,0,0|1,0,0]=3 31 B16R2.2945 C[Si](Cl)(c1ccccc1)c2ccccc2 Amb8515429 [2,0,0,0,0,0|1,1,0]=4 32 B16R2.2945 C[Sn](C)(c1ccccc1)c2ccccc2 Amb22045570 [2,0,0,0,0,0|1,0,0]=3 33 B16R2.2945 FC(F)(c1ccccc1)c2ccccc2 Amb10838338 [2,0,0,0,0,0|2,0,0]=4 34 B16R2.3896 BrC(c1ccccc1)c2ccccc2I Amb26615035 [2,0,0,0,0,0|2,0,0]=4 35 B16R2.3896 CC(c1ccccc1)c2ccccc2N Amb17595236 [2,0,0,0,0,0|1,0,0]=3 36 B16R2.3896 CC(c1ccccc1)c2ccccc2O Amb22270189 [2,0,0,0,0,0|0,0,0]=2 37 B16R2.3896 CC(c1ccccc1)c2cccnc2N Amb18811626 [2,0,0,0,0,0|2,0,0]=4 38 B16R2.3896 CN(c1ccccc1)c2ccccc2N Amb1112322 [2,0,0,0,0,0|2,0,0]=4 39 B16R2.3896 Cc1ccccc1C(Cl)c2ccccc2 Amb1675253 [2,0,0,0,0,0|2,0,0]=4 40 B16R2.3896 Cc1ccccc1C(N)c2ccccc2 Amb6255608 [2,0,0,0,0,0|2,0,0]=4 41 B16R2.3896 Cc1ccccc1C(O)c2ccccc2 Amb2720484 [2,0,0,0,0,0|2,0,0]=4 42 B16R2.3896 Cc1ccccc1C(S)c2ccccc2 Amb32788087 [2,0,0,0,0,0|2,0,0]=4 43 B16R2.3896 Clc1ccccc1C(Cl)c2ccccc2 Amb27610953 [2,0,0,0,0,0|2,0,0]=4 44 B16R2.3896 Fc1ccccc1C(Br)c2ccccc2 Amb28207582 [2,0,0,0,0,0|2,0,0]=4 45 B16R2.3896 Fc1ccccc1C(Cl)c2ccccc2 Amb26353556 [2,0,0,0,0,0|2,0,0]=4 46 B16R2.3896 NC(c1ccccc1)c2ccccc2Br Amb1128354 [2,0,0,0,0,0|2,0,0]=4 47 B16R2.3896 NC(c1ccccc1)c2ccccc2Cl Amb2383273 [2,0,0,0,0,0|2,0,0]=4 48 B16R2.3896 NC(c1ccccc1)c2ccccc2F Amb6255871 [2,0,0,0,0,0|2,0,0]=4 49 B16R2.3896 Nc1ccccc1C(N)c2ccccc2 Amb17065414 [2,0,0,0,0,0|2,0,0]=4 50 B16R2.3896 Nc1ccccc1C(O)c2ccccc2 Amb9703355 [2,0,0,0,0,0|2,0,0]=4 51 B16R2.3896 O=C(c1ccccc1)c2ccccc2O Amb3431695 [2,0,0,0,0,0|1,0,1]=4 52 B16R2.3896 OC(c1ccccc1)c2ccccc2Br Amb9704373 [2,0,0,0,0,0|2,0,0]=4 53 B16R2.3896 OC(c1ccccc1)c2ccccc2Cl Amb4006460 [2,0,0,0,0,0|2,0,0]=4 54 B16R2.3896 OC(c1ccccc1)c2ccccc2F Amb17237429 [2,0,0,0,0,0|2,0,0]=4 55 B16R2.3896 O[C@H](c1ccccc1)c2ccccc2F Amb10838347 [2,0,0,0,0,0|2,0,0]=4 56 B16R2.3896 Oc1ccccc1C(O)c2ccccc2 Amb2386881 [2,0,0,0,0,0|1,0,0]=3 57 B16R2.4062 Nc1ccccc1Cc2ccccc2N Amb17777120 [2,0,0,0,0,0|2,0,0]=4 58 B16R2.4062 Oc1ccccc1Cc2ccccc2O Amb6356765 [2,0,0,0,0,0|0,0,0]=2 59 B16R2.4062 Oc1ccccc1Oc2ccccc2O Amb4292083 [2,0,0,0,0,0|1,0,0]=3 60 B16R2.4062 Oc1ccccc1Sc2ccccc2O Amb3777630 [2,0,0,0,0,0|1,0,0]=3 61 B18R2.6476 Cc1c(C(C)(C)c2ccccc2)ccc[n+]1[O-] Amb24084733 [1,1,0,0,0,0|2,0,0]=4 62 B18R2.6538 CC(O)(c1ccccc1)c2cc(Cl)ccc2N Amb17610803 [1,1,0,0,0,0|2,0,0]=4 63 B18R2.9169 CC(C)(c1ccc(O)cc1)c2ccccc2O Amb24080783 [1,1,0,0,0,0|0,0,0]=2 64 B18R2.18782 Cc1ccccc1C(O)(CN)c2ccccc2 Amb31136862 [1,1,0,0,0,0|2,0,0]=4 65 B18R2.18782 NCC(O)(c1ccccc1)c2ccccc2F Amb31119038 [1,1,0,0,0,0|2,0,0]=4 66 B18R2.10799 Cc1ccccc1C(CN)c2ccccc2Br Amb31103752 [1,1,0,0,0,0|2,0,0]=4 67 B18R2.10799 Cc1ccccc1C(CN)c2ccccc2C Amb31102402 [1,1,0,0,0,0|2,0,0]=4 68 B18R2.10799 Cc1ccccc1C(CN)c2ccccc2Cl Amb31103522 [1,1,0,0,0,0|2,0,0]=4 69 B18R2.10799 Cc1ccccc1C(CN)c2ccccc2F Amb31102617 [1,1,0,0,0,0|2,0,0]=4 70 B18R2.10799 NCC(c1ccccc1F)c2ccccc2Br Amb31103767 [1,1,0,0,0,0|2,0,0]=4 71 B18R2.10799 NCC(c1ccccc1F)c2ccccc2F Amb31103257 [1,1,0,0,0,0|2,0,0]=4 72 B18R2.19217 COc1ccccc1C(N)c2ccccc2C Amb17247786 [1,1,0,0,0,0|2,0,0]=4 73 B18R2.19217 COc1ccccc1C(N)c2ccccc2Cl Amb19148092 [1,1,0,0,0,0|2,0,0]=4 74 B18R2.19217 COc1ccccc1C(N)c2ccccc2F Amb17249418 [1,1,0,0,0,0|2,0,0]=4 75 B18R2.19217 COc1ccccc1C(O)c2ccccc2C Amb17248154 [1,1,0,0,0,0|2,0,0]=4 76 B18R2.19217 COc1ccccc1C(O)c2ccccc2Cl Amb17260507 [1,1,0,0,0,0|2,0,0]=4 77 B18R2.19217 COc1ccccc1C(O)c2ccccc2F Amb17249975 [1,1,0,0,0,0|2,0,0]=4 78 B20R2.4255440 CC(CN)(Cc1ccccc1Cl)c2ccccc2F Amb5748013 [0,1,0,0,0,1|2,0,0]=4 79 B20R2.4255440 CC(CN)(Cc1ccccc1F)c2ccccc2Cl Amb5747852 [0,1,0,0,0,1|2,0,0]=4 80 B20R2.4255440 CC(CN)(Cc1ccccc1F)c2ccccc2F Amb5748007 [0,1,0,0,0,1|2,0,0]=4 81 B20R2.4255440 CC(CO)(Cc1ccccc1Cl)c2ccccc2F Amb5748154 [0,1,0,0,0,1|2,0,0]=4 82 B20R2.4255440 CC(CO)(Cc1ccccc1F)c2ccccc2Cl Amb5748298 [0,1,0,0,0,1|2,0,0]=4 83 B20R2.4255440 CC(CO)(Cc1ccccc1F)c2ccccc2F Amb5748148 [0,1,0,0,0,1|2,0,0]=4 84 B20R2.4255440 Cc1ccccc1C(C)(CN)Cc2ccccc2Cl Amb5747934 [0,1,0,0,0,1|2,0,0]=4 85 B20R2.4255440 Cc1ccccc1C(C)(CN)Cc2ccccc2F Amb5747928 [0,1,0,0,0,1|2,0,0]=4 86 B20R2.4255440 Cc1ccccc1C(C)(CO)Cc2ccccc2F Amb5748220 [0,1,0,0,0,1|2,0,0]=4 87 B20R2.4255440 Cc1ccccc1CC(C)(CN)c2ccccc2C Amb5747925 [0,1,0,0,0,1|2,0,0]=4 88 B20R2.4255440 Cc1ccccc1CC(C)(CN)c2ccccc2Cl Amb5747849 [0,1,0,0,0,1|2,0,0]=4 89 B20R2.4255440 Cc1ccccc1CC(C)(CN)c2ccccc2F Amb5748004 [0,1,0,0,0,1|2,0,0]=4 90 B20R2.4255440 Cc1ccccc1CC(C)(CO)c2ccccc2F Amb5748145 [0,1,0,0,0,1|2,0,0]=4 91 B20R2.42666 COc1ccccc1[Si](C)(C)c2ccccc2CO Amb22044061 [0,2,0,0,0,0|0,1,0]=3 92 B18R3.38448 CC1(c2ccccc2)C=Cc3ccccc31 Amb17778906 [1,0,0,1,0,0|1,0,1]=4 93 B18R3.38448 CC1(c2ccccc2)C=Nc3ccccc31 Amb17843919 [1,0,0,1,0,0|1,0,1]=4 94 B18R3.38448 CC1(c2ccccc2)C=Nc3ccccc31 Amb17843920 [1,0,0,1,0,0|1,0,1]=4 95 B18R3.89742 OC1(c2ccccc2)Cc3cccc(F)c31 Amb17778826 [1,0,0,1,0,0|2,0,0]=4 96 B18R3.451086 CC1(C)c2ccccc2Nc3ccccc31 Amb8383780 [1,0,0,1,0,0|1,0,0]=3 97 B18R3.451086 CC1(C)c2ccccc2Oc3ccccc31 Amb9786364 [1,0,0,1,0,0|0,0,0]=2 98 B20R4.2595 c1ccc2c(c1)CCC23CCc4ccccc43 Amb22235856 [0,0,0,2,0,0|2,0,0]=4