0 B17R2.24824 OC1(CCNC1)c2cccc(c2)C(F)(F)F Amb18070566 [0,0,0,0,0,0|1,0,0]=1 1 B16R2.2311 FC(F)(F)c1cc([n]cc1)N2CCCC2 Amb24076707 [1,0,0,0,0,0|3,0,0]=4 2 B16R2.2311 FC(F)(F)c1cc(ccc1)C2CCCN2 Amb17659179 [1,0,0,0,0,0|2,0,0]=3 3 B16R2.2311 FC(F)(F)c1cc(ccc1)C2CCCN2 Amb19887600 [1,0,0,0,0,0|2,0,0]=3 4 B16R2.2311 FC(F)(F)c1cc(ccc1)[C@@H]2CCCN2 Amb24080776 [1,0,0,0,0,0|2,0,0]=3 5 B16R2.2311 FC(F)(F)c1cc(ccc1)[C@@H]2CNCC2 Amb24080775 [1,0,0,0,0,0|0,0,0]=1 6 B16R2.2311 FC(F)(F)c1cccc([n]1)N2CCCC2 Amb22900115 [1,0,0,0,0,0|3,0,0]=4 7 B16R2.2311 FC(F)(F)c1cccc(c1)C=2CCCN2 Amb24053773 [1,0,0,0,0,0|2,0,1]=4 8 B18R2.93906 NC1(CCCC1)c2cc(ccc2Cl)C(F)(F)F Amb18591309 [0,1,0,0,0,0|2,0,0]=3 9 B18R2.136621 CNC1(CCCC1)c2cccc(c2)C(F)(F)F Amb18578189 [0,1,0,0,0,0|1,0,0]=2 10 B18R2.136621 NCC1(CC=CC1)c2cccc(c2)C(F)(F)F Amb24003244 [0,1,0,0,0,0|1,0,1]=3 11 B18R2.136621 NCC1(OCCO1)c2cccc(c2)C(F)(F)F Amb24761238 [0,1,0,0,0,0|3,0,0]=4 12 B18R2.684197 NC1(CCCC1)c2ccc(Cl)c(c2)C(F)(F)F Amb18591310 [0,1,0,0,0,0|2,0,0]=3 13 B16R1.1487 CNCCN(C)c1cccc([n]1)C(F)(F)F Amb24777990 [0,0,1,0,0,0|2,0,0]=3 14 B16R1.3982 CC(O)(CCN)c1cccc(c1)C(F)(F)F Amb18070765 [0,0,1,0,0,0|1,0,0]=2 15 B16R2.14789 NC1(COC1)c2cccc(c2)C(F)(F)F Amb19889449 [0,0,0,0,1,0|2,0,0]=3 16 B16R2.14789 NC1(COC1)c2cccc(c2)C(F)(F)F Amb22386901 [0,0,0,0,1,0|2,0,0]=3 17 B18R2.309045 NC1(CCCCC1)c2cccc(c2)C(F)(F)F Amb19148846 [0,0,0,0,0,1|2,0,0]=3 18 B18R2.309045 OC1(CCCNC1)c2cccc(c2)C(F)(F)F Amb18579142 [0,0,0,0,0,1|1,0,0]=2 19 B18R2.335555 OC1(Cc2cccc(c2)C(F)(F)F)CCCC1 Amb23997501 [0,0,0,0,0,1|2,0,0]=3 20 B18R2.335555 OC1(Cc2cccc(c2)C(F)(F)F)CCOC1 Amb23997739 [0,0,0,0,0,1|2,0,0]=3 21 B15R1.800 CCCC(=O)c1cccc(c1)C(F)(F)F Amb13952724 [1,0,1,0,0,0|1,0,1]=4 22 B15R1.800 CCCC(c1cccc(c1)C(F)(F)F)O Amb17243032 [1,0,1,0,0,0|1,0,0]=3 23 B15R1.800 CCNC(C)c1cc(ccc1)C(F)(F)F Amb19374380 [1,0,1,0,0,0|0,0,0]=2 24 B15R1.800 CN(CCN)c1cc([n]cc1)C(F)(F)F Amb24775465 [1,0,1,0,0,0|2,0,0]=4 25 B15R1.800 CN(CCN)c1cc(ccc1)C(F)(F)F Amb18769285 [1,0,1,0,0,0|1,0,0]=3 26 B15R1.800 CN(CCN)c1cccc([n]1)C(F)(F)F Amb19025552 [1,0,1,0,0,0|2,0,0]=4 27 B15R1.800 CNCC(=O)c1cc(ccc1)C(F)(F)F Amb18225719 [1,0,1,0,0,0|1,0,1]=4 28 B15R1.800 CNCC(O)c1cc(ccc1)C(F)(F)F Amb19006676 [1,0,1,0,0,0|1,0,0]=3 29 B15R1.800 COCC(c1cccc(c1)C(F)(F)F)N Amb1127780 [1,0,1,0,0,0|2,0,0]=4 30 B15R1.800 NCCC(c1cccc(c1)C(F)(F)F)C Amb17242535 [1,0,1,0,0,0|0,0,0]=2 31 B15R1.800 OCCC(c1cccc(c1)C(F)(F)F)C Amb17243033 [1,0,1,0,0,0|1,0,0]=3 32 B15R1.800 OCCC(c1cccc(c1)C(F)(F)F)N Amb2408147 [1,0,1,0,0,0|2,0,0]=4 33 B15R1.1183 CNCCCc1cccc(c1)C(F)(F)F Amb23442905 [1,0,1,0,0,0|0,0,0]=2 34 B15R1.1183 CNCCNc1cc([n]cc1)C(F)(F)F Amb24775466 [1,0,1,0,0,0|2,0,0]=4 35 B15R1.1183 CNCCNc1cc(ccc1)C(F)(F)F Amb19966340 [1,0,1,0,0,0|1,0,0]=3 36 B15R1.1183 CNC\C=C\c1cc(ccc1)C(F)(F)F Amb23442909 [1,0,1,0,0,0|0,0,2]=4 37 B15R1.1183 COCOCc1cccc(c1)C(F)(F)F Amb22641560 [1,0,1,0,0,0|2,0,0]=4 38 B15R1.332 CC(C)(CN)c1cc(ccc1)C(F)(F)F Amb18970827 [1,0,1,0,0,0|0,0,0]=2 39 B15R1.332 CC(C)(CN)c1cc(ccc1)C(F)(F)F Amb19959461 [1,0,1,0,0,0|0,0,0]=2 40 B15R1.332 CC(C)(NC)c1cc(ccc1)C(F)(F)F Amb18067074 [1,0,1,0,0,0|0,0,0]=2 41 B15R1.332 CC(N)(CO)c1cccc(c1)C(F)(F)F Amb18290222 [1,0,1,0,0,0|1,0,0]=3 42 B15R1.332 CC(O)(CN)c1cccc(c1)C(F)(F)F Amb18997528 [1,0,1,0,0,0|1,0,0]=3 43 B15R1.332 CCC(F)(F)c1cccc(c1)C(F)(F)F Amb20669922 [1,0,1,0,0,0|2,0,0]=4 44 B15R1.469 CCC(c1cccc(c1)C(F)(F)F)CN Amb17242534 [1,0,1,0,0,0|0,0,0]=2 45 B15R1.469 CCN(CC)c1cc(ccc1)C(F)(F)F Amb18269649 [1,0,1,0,0,0|2,0,0]=4 46 B15R1.469 CNC(CN)c1cc(ccc1)C(F)(F)F Amb23596581 [1,0,1,0,0,0|1,0,0]=3 47 B15R1.469 CNC(CO)c1cc(ccc1)C(F)(F)F Amb19009089 [1,0,1,0,0,0|2,0,0]=4 48 B15R1.469 COC(c1cccc(c1)C(F)(F)F)CN Amb17605866 [1,0,1,0,0,0|1,0,0]=3 49 B15R2.61 CC(C)c1cc(ccc1)C2CNCC2 Amb25831054 [2,0,0,0,0,0|2,0,0]=4 50 B15R2.61 FC(F)c1cc(cc[n]1)C2CNCC2 Amb25178285 [2,0,0,0,0,0|1,0,0]=3 51 B15R2.61 FC(F)c1cc(ccc1)[C@@H]2CNCC2 Amb24573100 [2,0,0,0,0,0|0,0,0]=2 52 B15R2.61 FC(F)c1cc(ccc1)[C@H]2CCCN2 Amb25132130 [2,0,0,0,0,0|2,0,0]=4 53 B15R2.61 FC(F)c1cc(ccc1)[C@H]2CNCC2 Amb25067036 [2,0,0,0,0,0|0,0,0]=2 54 B15R2.4746 COc1cc(ccc1)C2(C)CNCC2 Amb18961116 [2,0,0,0,0,0|2,0,0]=4 55 B15R2.4746 OCc1cc(ccc1)C2(O)CCNC2 Amb25121265 [2,0,0,0,0,0|2,0,0]=4 56 B17R1.892 CCC(=O)NC(C)c1cc(ccc1)C(F)(F)F Amb21370364 [0,1,1,0,0,0|2,0,0]=4 57 B17R1.892 CNC(=O)CC(c1cccc(c1)C(F)(F)F)C Amb17257578 [0,1,1,0,0,0|0,0,1]=3 58 B17R1.1879 C#CCNCC(O)c1cc(ccc1)C(F)(F)F Amb23920421 [0,1,1,0,0,0|1,0,1]=4 59 B17R1.1879 CNCCNC(=O)c1cc(ccc1)C(F)(F)F Amb25403384 [0,1,1,0,0,0|1,0,1]=4 60 B17R1.1879 NCCNCC(O)c1cc(ccc1)C(F)(F)F Amb23944533 [0,1,1,0,0,0|1,0,0]=3 61 B17R1.5002 CN(C)CCN(C)c1cccc([n]1)C(F)(F)F Amb23697914 [0,1,1,0,0,0|2,0,0]=4 62 B17R1.47859 CC(NC)(C(N)=O)c1cc(ccc1)C(F)(F)F Amb24122952 [0,1,1,0,0,0|1,0,1]=4 63 B17R1.16501 CC(C)(CC(O)=O)c1cc(ccc1)C(F)(F)F Amb18579751 [0,1,1,0,0,0|1,0,1]=4 64 B17R2.333 FC(F)(F)c1cc(C2CNCC2)c(Cl)cc1 Amb18582817 [1,1,0,0,0,0|0,0,0]=2 65 B17R2.338 FC(F)(F)c1cc(ccc1Br)N2CCCC2 Amb19959466 [1,1,0,0,0,0|2,0,0]=4 66 B17R2.338 FC(F)(F)c1cc(ccc1Cl)C2CNCC2 Amb18072538 [1,1,0,0,0,0|0,0,0]=2 67 B17R2.338 Nc1ccc(cc1C(F)(F)F)N2CCCC2 Amb1121261 [1,1,0,0,0,0|2,0,0]=4 68 B17R2.3219 Cc1cc([n]c([n]1)C2CNCC2)C(F)(F)F Amb20061963 [1,1,0,0,0,0|2,0,0]=4 69 B17R2.3261 OC1CC(NC1)c2cc(ccc2)C(F)(F)F Amb22059461 [1,1,0,0,0,0|2,0,0]=4 70 B17R2.3261 OC1CN(CC1)c2cc(ccc2)C(F)(F)F Amb23441917 [1,1,0,0,0,0|2,0,0]=4 71 B17R2.3889 O=C1NCCN1c2cccc(c2)C(F)(F)F Amb2426762 [1,1,0,0,0,0|1,0,1]=4 72 B17R2.81455 NCC1(COC1)c2cccc(c2)C(F)(F)F Amb22738798 [0,1,0,0,1,0|1,0,0]=3 73 B17R2.755185 Cc1c(cccc1C2(O)COC2)C(F)(F)F Amb22896823 [0,1,0,0,1,0|2,0,0]=4 74 B19R2.12118 CC1CCC(N)(CC1)c2cccc(c2)C(F)(F)F Amb18586359 [0,1,0,0,0,1|2,0,0]=4 75 B19R2.12118 CN1CCC(CC1)(N)c2cccc(c2)C(F)(F)F Amb13888618 [0,1,0,0,0,1|1,0,0]=3 76 B19R2.12118 CN1CCC(O)(CC1)c2cccc(c2)C(F)(F)F Amb19640708 [0,1,0,0,0,1|1,0,0]=3 77 B19R2.151327 NC1(CCCCC1)c2cc(ccc2Cl)C(F)(F)F Amb18596118 [0,1,0,0,0,1|2,0,0]=4 78 B19R2.319501 CNC1(CCCCC1)c2cccc(c2)C(F)(F)F Amb18586360 [0,1,0,0,0,1|1,0,0]=3 79 B19R2.319501 NCC1(CCOCC1)c2cccc(c2)C(F)(F)F Amb22738703 [0,1,0,0,0,1|1,0,0]=3 80 B19R2.1293966 NC1(CCCCC1)c2ccc(Cl)c(c2)C(F)(F)F Amb18596119 [0,1,0,0,0,1|2,0,0]=4 81 B17R2.2465 FC(F)(F)c1c[n]cc(c1)N2CCNCC2 Amb24183295 [0,0,1,1,0,0|2,0,0]=4 82 B17R2.2465 FC(F)(F)c1cc([n]c[n]1)C2CCNCC2 Amb20061633 [0,0,1,1,0,0|2,0,0]=4 83 B17R2.2465 FC(F)(F)c1cc(ccc1)C2CNCCO2 Amb22001950 [0,0,1,1,0,0|1,0,0]=3 84 B17R2.2465 FC(F)(F)c1cc(ccc1)N2CCOCC2 Amb18932366 [0,0,1,1,0,0|2,0,0]=4 85 B17R2.2465 FC(F)(F)c1cc[n]c([n]1)C2CCNCC2 Amb23441354 [0,0,1,1,0,0|2,0,0]=4 86 B17R2.2465 FC(F)(F)c1cccc([n]1)C2CNCCC2 Amb24105547 [0,0,1,1,0,0|1,0,0]=3 87 B17R2.2465 FC(c1cccc(c1)C2CCCCN2)(F)F Amb2235769 [0,0,1,1,0,0|2,0,0]=4 88 B17R2.2465 FC(c1cccc(c1)C2CCCNC2)(F)F Amb17407198 [0,0,1,1,0,0|0,0,0]=2 89 B17R2.2465 FC(c1cccc(c1)C2CCNCC2)(F)F Amb2383180 [0,0,1,1,0,0|0,0,0]=2 90 B17R2.2465 FC(c1cccc(c1)N2CCNCC2)(F)F Amb1233190 [0,0,1,1,0,0|1,0,0]=3 91 B17R2.2465 FC(c1cccc(c1)N2CCNCC2)(F)F Amb2235040 [0,0,1,1,0,0|1,0,0]=3 92 B17R2.4133 CNCC1CC1c2cccc(c2)C(F)(F)F Amb17605578 [0,0,1,1,0,0|0,0,0]=2 93 B17R2.91805 CC(c1cccc(c1)C(F)(F)F)NC2CC2 Amb10609190 [0,0,1,1,0,0|2,0,0]=4 94 B17R2.91805 CC(c1cccc(c1)C(F)(F)F)NC2CC2 Amb1119094 [0,0,1,1,0,0|2,0,0]=4 95 B17R2.157052 CC1(C)CNCc2c1cccc2C(F)(F)F Amb22229574 [0,0,1,1,0,0|0,0,0]=2 96 B17R2.736203 CC1(C)CNCc2ccc(cc12)C(F)(F)F Amb22229570 [0,0,1,1,0,0|0,0,0]=2 97 B17R2.736203 CC1(C)CNCc2ccc(cc12)C(F)(F)F Amb22229571 [0,0,1,1,0,0|0,0,0]=2 98 B15R2.2223 FC(F)(F)c1c[n][n](c1)C2CNCC2 Amb24436891 [1,0,0,0,1,0|2,0,0]=4 99 B15R2.2223 FC(F)(F)c1c[n]c([nH]1)C2CNCC2 Amb25698602 [1,0,0,0,1,0|2,0,0]=4 100 B15R2.2223 FC(F)(F)c1cc[n]([n]1)C2CNCC2 Amb18960183 [1,0,0,0,1,0|2,0,0]=4 101 B15R2.2223 FC(F)(F)c1ccc([s]1)C2CNCC2 Amb18166430 [1,0,0,0,1,0|1,0,0]=3 102 B15R2.29050 FC(F)(F)c1c[n]cc(c1)C2CNC2 Amb25790529 [1,0,0,0,1,0|1,0,0]=3 103 B15R2.29050 FC(F)(F)c1c[n]cc(c1)[C@@H]2CCN2 Amb25168046 [1,0,0,0,1,0|1,0,0]=3 104 B15R2.29050 FC(F)(F)c1c[n]cc(c1)[C@H]2CCN2 Amb24367269 [1,0,0,0,1,0|1,0,0]=3 105 B15R2.29050 FC(F)(F)c1cc([n]cc1)C2CNC2 Amb22236353 [1,0,0,0,1,0|1,0,0]=3 106 B15R2.29050 FC(F)(F)c1cc([n]cc1)[C@H]2CCN2 Amb25857925 [1,0,0,0,1,0|1,0,0]=3 107 B15R2.29050 FC(F)(F)c1cc(ccc1)C2CCN2 Amb22056302 [1,0,0,0,1,0|0,0,0]=2 108 B15R2.29050 FC(F)(F)c1cc(ccc1)C2CCN2 Amb25114438 [1,0,0,0,1,0|0,0,0]=2 109 B15R2.29050 FC(F)(F)c1cc(ccc1)C2CNC2 Amb24344870 [1,0,0,0,1,0|0,0,0]=2 110 B15R2.29050 FC(F)(F)c1cc(ccc1)[C@@H]2CCN2 Amb24521942 [1,0,0,0,1,0|0,0,0]=2 111 B15R2.29050 FC(F)(F)c1cccc([n]1)C2CNC2 Amb25164961 [1,0,0,0,1,0|1,0,0]=3 112 B15R2.29050 FC(F)(F)c1cccc([n]1)N2CCC2 Amb24535983 [1,0,0,0,1,0|2,0,0]=4 113 B15R2.16234 NC1(CCC1)c2cc(ccc2)C(F)F Amb25798717 [1,0,0,0,1,0|1,0,0]=3 114 B15R2.7515 CC1(CO1)c2cccc(c2)C(F)(F)F Amb19514708 [0,0,0,0,2,0|1,0,0]=3 115 B15R2.7515 NC1(CC1)c2cc(cc[n]2)C(F)(F)F Amb25217557 [0,0,0,0,2,0|2,0,0]=4 116 B15R2.7515 NC1(CC1)c2cc(ccc2)[B-](F)(F)F Amb24503642 [0,0,0,0,2,0|2,0,0]=4 117 B15R2.7515 NC1(CC1)c2cccc([n]2)C(F)(F)F Amb25113318 [0,0,0,0,2,0|2,0,0]=4 118 B15R2.7515 NC1(CC1)c2cccc(c2)C(F)(F)F Amb21962566 [0,0,0,0,2,0|1,0,0]=3 119 B15R2.7515 OC1(CC1)c2cccc(c2)C(F)(F)F Amb25738284 [0,0,0,0,2,0|1,0,0]=3 120 B15R2.8875 FC(F)(F)c1c[s]cc1C2(F)CNC2 Amb25737760 [0,0,0,0,2,0|2,0,0]=4 121 B15R2.8875 OC1(CNC1)c2cc[s]c2C(F)(F)F Amb25310360 [0,0,0,0,2,0|2,0,0]=4 122 B17R1.4914 CCNCC(=O)Nc1cc(ccc1)C(F)(F)F Amb20141862 [0,0,1,0,0,1|1,0,1]=4 123 B17R1.4914 CSCCC(O)Cc1cccc(c1)C(F)(F)F Amb23998017 [0,0,1,0,0,1|2,0,0]=4 124 B17R1.114974 CC(O)(Cc1cccc(c1)C(F)(F)F)COC Amb23997699 [0,0,1,0,0,1|2,0,0]=4 125 B17R2.10060 FC(F)(F)c1cc(NC2CNCC2)[n]cc1 Amb23599040 [1,0,0,0,0,1|1,0,0]=3 126 B17R2.10060 FC(F)(F)c1cc(NC2COCC2)[n]cc1 Amb23734296 [1,0,0,0,0,1|2,0,0]=4 127 B17R2.10060 FC(F)(F)c1cc(N[C@@H]2CNCC2)[n]c[n]1 Amb22738696 [1,0,0,0,0,1|2,0,0]=4 128 B17R2.10060 FC(F)(F)c1cc(N[C@H]2CNCC2)[n]c[n]1 Amb22738687 [1,0,0,0,0,1|2,0,0]=4 129 B17R2.10060 FC(F)(F)c1cc([n]c[n]1)OC2CNCC2 Amb22738772 [1,0,0,0,0,1|2,0,0]=4 130 B17R2.10060 FC(F)(F)c1cc(ccc1)OC2CCCC2 Amb21856493 [1,0,0,0,0,1|1,0,0]=3 131 B17R2.10060 FC(F)(F)c1cc[n]c(NC2CNCC2)[n]1 Amb23599042 [1,0,0,0,0,1|2,0,0]=4 132 B17R2.10060 FC(F)(F)c1cccc(NC2CNCC2)[n]1 Amb18298327 [1,0,0,0,0,1|1,0,0]=3 133 B17R2.10060 FC(F)(F)c1cccc(NC2COCC2)[n]1 Amb23734299 [1,0,0,0,0,1|2,0,0]=4 134 B17R2.10060 FC(F)(F)c1cccc([n]1)OC2CNCC2 Amb18297882 [1,0,0,0,0,1|1,0,0]=3 135 B17R2.10060 FC(c1cccc(c1)CC2CCCN2)(F)F Amb17248480 [1,0,0,0,0,1|2,0,0]=4 136 B17R2.10060 F[B-](F)(F)c1cc(ccc1)OC2COCC2 Amb25662383 [1,0,0,0,0,1|2,0,0]=4 137 B17R2.20265 FC(F)(F)Oc1cc(ccc1)C2CCCN2 Amb19887239 [1,0,0,0,0,1|2,0,0]=4 138 B17R2.24820 NC1(CCCC1)c2ccccc2C(F)(F)F Amb17106955 [0,0,0,0,1,1|2,0,0]=4 139 B17R2.24819 OC1(CCNC1)c2ccc(cc2)C(F)(F)F Amb18070568 [0,0,0,0,1,1|1,0,0]=3 140 B19R2.555620 CC1(CCCCCN1)c2cccc(c2)C(F)(F)F Amb24026960 [0,0,0,0,0,2|1,0,0]=3 141 B19R2.602488 OC1(Cc2cccc(c2)C(F)(F)F)CCCNC1 Amb23997726 [0,0,0,0,0,2|1,0,0]=3 142 B19R2.602488 OC1(Cc2cccc(c2)C(F)(F)F)CCCOC1 Amb23998067 [0,0,0,0,0,2|2,0,0]=4 143 B19R2.602488 OC1(Cc2cccc(c2)C(F)(F)F)CCNCC1 Amb23997702 [0,0,0,0,0,2|1,0,0]=3