0 B17R2.146458 Cc1cc(C)cc(OCC2CNC(=O)O2)c1 Amb8393794 [0,0,0,0,0,0|0,0,0]=0 1 B17R2.146458 Cc1cc(C)cc(OCc2nnc(N)o2)c1 Amb23492497 [0,0,0,0,0,0|2,0,2]=4 2 B17R2.146458 Cc1cc(C)cc(OCc2nnc(S)o2)c1 Amb857840 [0,0,0,0,0,0|1,1,2]=4 3 B17R2.146458 Cc1cc(C)nc(SCC2CCC(=O)O2)n1 Amb2794726 [0,0,0,0,0,0|3,1,0]=4 4 B16R2.258 Cc1cccc(OCC2=NNC(=S)O2)c1 Amb20032718 [1,0,0,0,0,0|1,1,1]=4 5 B16R2.258 Cc1cccc(OCC2CCC(=O)N2)n1 Amb31193489 [1,0,0,0,0,0|3,0,0]=4 6 B16R2.258 O=C1CC(CCc2cccc(Br)c2)CN1 Amb33433771 [1,0,0,0,0,0|3,0,0]=4 7 B16R2.258 O=C1CC(COc2cncc(Br)c2)CN1 Amb27868812 [1,0,0,0,0,0|3,0,0]=4 8 B16R2.258 O=C1NCC(CCc2cccc(Br)c2)O1 Amb33433778 [1,0,0,0,0,0|2,0,0]=3 9 B16R2.258 O=C1NCC(CSc2cncc(Br)c2)O1 Amb33276116 [1,0,0,0,0,0|2,1,0]=4 10 B16R2.258 O=C1NN=C(COc2cccc(F)c2)O1 Amb24122818 [1,0,0,0,0,0|2,0,1]=4 11 B16R2.11351 Cc1cc(C)cc(OCC2CCNC2)c1 Amb21956944 [1,0,0,0,0,0|1,0,1]=3 12 B16R2.11351 Cc1cc(C)cc(OCC2OCCO2)c1 Amb17239804 [1,0,0,0,0,0|2,0,1]=4 13 B16R2.11351 Cc1cc(C)cc(OC[C@@H]2CCCN2)c1 Amb17051829 [1,0,0,0,0,0|2,0,1]=4 14 B18R2.163648 Cc1cc(C)cc(OCc2ccc(C=O)o2)c1 Amb6462595 [0,1,0,0,0,0|1,0,2]=4 15 B16R1.4381 COC(=O)CCCOc1cc(C)cc(C)c1 Amb8961220 [0,0,1,0,0,0|2,0,0]=3 16 B16R1.4381 Cc1cc(C)cc(OCCNC(=O)CBr)c1 Amb17331147 [0,0,1,0,0,0|3,0,0]=4 17 B16R1.6846 C\C(=C/C(=O)O)COc1cc(C)cc(C)c1 Amb17244263 [0,0,1,0,0,0|2,0,1]=4 18 B16R1.6848 Cc1cc(C)cc(OCCCNC(C)C)c1 Amb7760735 [0,0,1,0,0,0|2,0,1]=4 19 B16R2.79318 Cc1cc(C)cc(CC2CCC(=O)C2)c1 Amb27169019 [0,0,0,0,1,0|2,0,0]=3 20 B15R1.9720 CNCC(O)COc1cc(C)cc(C)c1 Amb6678595 [1,0,1,0,0,0|0,0,1]=3 21 B15R1.9720 Cc1cc(C)cc(OCC(O)CC#N)c1 Amb17238419 [1,0,1,0,0,0|1,0,1]=4 22 B15R1.1010 CCNCCCOc1cc(C)cc(C)c1 Amb7760990 [1,0,1,0,0,0|1,0,1]=4 23 B15R1.5448 CC(=O)NCCOc1cc(C)cc(Br)c1 Amb23591089 [1,0,1,0,0,0|2,0,0]=4 24 B15R1.5448 Cc1cc(C)cc(OCCCC(=O)Cl)c1 Amb17144116 [1,0,1,0,0,0|2,0,0]=4 25 B15R1.5448 Cc1cc(C)cc(OCCCC(=O)O)c1 Amb844356 [1,0,1,0,0,0|2,0,0]=4 26 B15R1.5448 Cc1cc(C)cc(OCCNC(N)=O)c1 Amb17239872 [1,0,1,0,0,0|1,0,0]=3 27 B15R1.119 Cc1cccc(OCCCCC(=O)O)c1 Amb7782821 [1,0,1,0,0,0|1,0,0]=3 28 B15R1.119 O=C(O)CCCCOc1cccc(Cl)c1 Amb7782830 [1,0,1,0,0,0|2,0,0]=4 29 B15R1.119 O=C(O)CCCCOc1cccc(F)c1 Amb7782837 [1,0,1,0,0,0|2,0,0]=4 30 B15R2.283 O=C1CC(CCc2ccccc2)CN1 Amb26954493 [2,0,0,0,0,0|2,0,0]=4 31 B15R2.283 O=C1CC(COc2ccccn2)CN1 Amb31193664 [2,0,0,0,0,0|2,0,0]=4 32 B15R2.283 O=C1CC(COc2cccnc2)CN1 Amb27786079 [2,0,0,0,0,0|2,0,0]=4 33 B15R2.283 O=C1CC[C@@H](COc2ccccc2)N1 Amb27960874 [2,0,0,0,0,0|2,0,0]=4 34 B15R2.283 O=C1NCC(CCc2ccccc2)O1 Amb27662552 [2,0,0,0,0,0|1,0,0]=3 35 B15R2.283 O=C1NCC(CNc2ccccc2)O1 Amb25082861 [2,0,0,0,0,0|1,0,0]=3 36 B15R2.283 O=C1NCC(COc2ccccc2)O1 Amb25861694 [2,0,0,0,0,0|0,0,0]=2 37 B15R2.283 O=C1NCC(CSc2ccccc2)O1 Amb25756159 [2,0,0,0,0,0|0,1,0]=3 38 B15R2.283 O=C1NCC(\C=C\c2ccccc2)O1 Amb32951534 [2,0,0,0,0,0|1,0,1]=4 39 B15R2.283 O=C1OCC(CNc2ccccc2)O1 Amb28137905 [2,0,0,0,0,0|2,0,0]=4 40 B15R2.283 O=S1OCC(COc2ccccc2)O1 Amb3483030 [2,0,0,0,0,0|2,0,0]=4 41 B15R2.283 S=C1NCC(CCc2ccccc2)O1 Amb28046293 [2,0,0,0,0,0|1,1,0]=4 42 B15R2.1117 Cc1cccc(OCC2CC=CC2)c1 Amb35629195 [2,0,0,0,0,0|2,0,0]=4 43 B15R2.1117 Cc1cccc(OCC2CCNC2)c1 Amb18988993 [2,0,0,0,0,0|1,0,1]=4 44 B17R1.1617 Cc1cc(C)cc(OCCNC(=O)CCBr)c1 Amb17331570 [0,1,1,0,0,0|2,0,0]=4 45 B17R1.1617 Cc1cc(C)cc(OCCNC(=O)CCCl)c1 Amb17324551 [0,1,1,0,0,0|2,0,0]=4 46 B17R1.8176 Cc1cc(C)cc(OCCNC(=O)C(C)Br)c1 Amb17324854 [0,1,1,0,0,0|2,0,0]=4 47 B17R1.61716 Cc1cc(C)cc(C(=O)CCCCC(=O)O)c1 Amb6305119 [0,1,1,0,0,0|2,0,0]=4 48 B17R2.247415 Cc1cc(OCC2CCCO2)cc(C)c1Br Amb32413444 [1,1,0,0,0,0|1,0,1]=4 49 B19R2.44754 Cc1cc(C)cc(OCC2CNC(C)(C)CO2)c1 Amb18582660 [0,1,0,0,0,1|1,0,1]=4 50 B17R2.146766 Cc1cc(C)c(CC2CNC(=O)O2)c(C)c1 Amb33200895 [0,0,1,1,0,0|1,0,1]=4 51 B17R2.3212 Cc1cc(C)cc(OCC2CNCCO2)c1 Amb5733290 [0,0,1,1,0,0|1,0,1]=4 52 B17R2.1157818 Cc1cc(C)cc(N2CC(CBr)OC2=O)c1 Amb32676253 [0,0,1,1,0,0|2,0,0]=4 53 B17R2.1157818 Cc1cc(C)cc(N2CC(CN)CC2=O)c1 Amb17077403 [0,0,1,1,0,0|2,0,0]=4 54 B17R2.1157818 Cc1cc(C)cc(N2CC(CN)OC2=O)c1 Amb17077303 [0,0,1,1,0,0|1,0,0]=3 55 B17R2.1157818 Cc1cc(C)cc(N2C[C@@H](CN)OC2=O)c1 Amb31162272 [0,0,1,1,0,0|1,0,0]=3 56 B17R2.347286 Cc1cc(C)cc(OC2CCC(=O)CC2)c1 Amb31175439 [0,0,1,1,0,0|2,0,0]=4 57 B17R2.1105215 CNC(=O)C1CCNc2cc(C)cc(C)c21 Amb31188705 [0,0,1,1,0,0|2,0,0]=4 58 B17R2.276253 Cc1cc(C)c2c(c1)NCC(CC(N)=O)C2 Amb31188708 [0,0,1,1,0,0|2,0,0]=4 59 B17R2.3213 Cc1cc(C)cc(N2CCCC2C(=O)O)c1 Amb31176027 [0,0,1,1,0,0|2,0,0]=4 60 B17R2.26341 Cc1cc(C)c2c(c1)NCCC2CC(=O)O Amb18560237 [0,0,1,1,0,0|2,0,0]=4 61 B17R2.26341 Cc1cc(C)c2c(c1)OCCC2CC(=O)O Amb17244273 [0,0,1,1,0,0|1,0,0]=3 62 B17R2.26341 Cc1cc(C)c2c(c1)OCCC2CC(N)=O Amb17243745 [0,0,1,1,0,0|2,0,0]=4 63 B17R2.26341 Cc1cc(C)c2c(c1)OCC\C2=C/C(=O)O Amb17243080 [0,0,1,1,0,0|1,0,1]=4 64 B17R2.196791 Cc1cc(C)c2c(c1)OCC2CCC(=O)O Amb31189006 [0,0,1,1,0,0|1,0,0]=3 65 B17R2.196796 Cc1cc(C)c2c(c1)OCCCC2C(=O)O Amb17580092 [0,0,1,1,0,0|1,0,0]=3 66 B17R2.157416 Cc1cc(C)cc(N2CC(N)CNC2=O)c1 Amb31161735 [0,0,1,1,0,0|2,0,0]=4 67 B17R2.157416 Cc1cc(C)cc(N2CC(O)CNC2=O)c1 Amb31162263 [0,0,1,1,0,0|1,0,0]=3 68 B15R1.931 COC(=O)CCNc1cc(C)cc(C)c1 Amb9026336 [0,0,1,0,1,0|2,0,0]=4 69 B15R1.931 Cc1cc(C)cc(NCCC(=O)NN)c1 Amb17605086 [0,0,1,0,1,0|2,0,0]=4 70 B15R1.5446 Cc1cc(C)cc(NC(C)CC(N)=O)c1 Amb17239035 [0,0,1,0,1,0|2,0,0]=4 71 B15R1.5446 Cc1cc(C)cc(OC(C)CC(=O)O)c1 Amb9397741 [0,0,1,0,1,0|2,0,0]=4 72 B15R1.5446 Cc1cc(C)cc(OC(C)CC(N)=O)c1 Amb17239336 [0,0,1,0,1,0|1,0,0]=3 73 B15R1.5455 CC(COc1cc(Cl)cc(Cl)c1)C(N)=O Amb17259691 [0,0,1,0,1,0|2,0,0]=4 74 B15R1.5455 Cc1cc(C)cc(CCC(C)C(=O)O)c1 Amb33473761 [0,0,1,0,1,0|2,0,0]=4 75 B15R1.5455 Cc1cc(C)cc(NCC(C)C(=O)O)c1 Amb9400500 [0,0,1,0,1,0|2,0,0]=4 76 B15R1.5455 Cc1cc(C)cc(NCC(C)C(N)=O)c1 Amb8944676 [0,0,1,0,1,0|1,0,0]=3 77 B15R1.5455 Cc1cc(C)cc(NCC(N)C(N)=O)c1 Amb28124260 [0,0,1,0,1,0|2,0,0]=4 78 B15R1.5455 Cc1cc(C)cc(OCC(C)C(=O)O)c1 Amb9399532 [0,0,1,0,1,0|1,0,0]=3 79 B15R1.5455 Cc1cc(C)cc(OCC(C)C(N)=O)c1 Amb17239337 [0,0,1,0,1,0|0,0,0]=2 80 B15R2.1115 Cc1cccc(CC2CCC(=O)C2)c1 Amb27867267 [1,0,0,0,1,0|2,0,0]=4 81 B15R2.1115 Cc1cccc(CC2CCC(=O)O2)c1 Amb27850937 [1,0,0,0,1,0|1,0,0]=3 82 B15R2.1115 Cc1cccc(CC2CNC(=O)O2)c1 Amb27798346 [1,0,0,0,1,0|0,0,0]=2 83 B15R2.1115 O=C1CC(Cc2cccc(Cl)c2)CN1 Amb28131641 [1,0,0,0,1,0|2,0,0]=4 84 B15R2.1115 O=C1CC(Cc2cccc(F)c2)CN1 Amb28400177 [1,0,0,0,1,0|2,0,0]=4 85 B15R2.1115 O=C1CCC(Cc2cccc(O)c2)O1 Amb20668453 [1,0,0,0,1,0|2,0,0]=4 86 B15R2.1115 O=C1CC[C@@H](Cc2cccc(O)c2)O1 Amb24506328 [1,0,0,0,1,0|2,0,0]=4 87 B15R2.1115 O=C1CC[C@H](Cc2cccc(O)c2)O1 Amb25073401 [1,0,0,0,1,0|2,0,0]=4 88 B15R2.1115 O=C1NCC(Cc2cccc(Br)c2)O1 Amb27200725 [1,0,0,0,1,0|1,0,0]=3 89 B15R2.1115 O=C1NCC(Cc2cccc(F)c2)O1 Amb24506386 [1,0,0,0,1,0|1,0,0]=3 90 B15R2.6867 Cc1cc(C)cc(OCC2CNC2)c1 Amb27197535 [1,0,0,0,1,0|0,0,1]=3 91 B15R2.6880 Cc1cc(C)cc(CC2CC=CC2)c1 Amb29886115 [1,0,0,0,1,0|2,0,0]=4 92 B15R2.6880 Cc1cc(C)cc(CC2CCNC2)c1 Amb24388853 [1,0,0,0,1,0|1,0,1]=4 93 B15R2.6880 Cc1cc(C)cc(OC2CCNC2)c1 Amb17191368 [1,0,0,0,1,0|1,0,1]=4 94 B15R2.6868 Cc1cc(C)cc(OC2CC(=O)C2)c1 Amb27264525 [0,0,0,0,2,0|1,0,0]=3 95 B15R2.41345 Cc1cc(Br)cc(C2CNC(=O)C2)c1 Amb33431423 [0,0,0,0,2,0|2,0,0]=4 96 B15R2.41345 Cc1cc(Br)cc(C2CNC(=O)O2)c1 Amb33431436 [0,0,0,0,2,0|1,0,0]=3 97 B15R2.41345 Cc1cc(C)cc(C2CC(=O)NN2)c1 Amb35694032 [0,0,0,0,2,0|2,0,0]=4 98 B15R2.41345 Cc1cc(C)cc(C2CCC(=O)C2)c1 Amb27465319 [0,0,0,0,2,0|2,0,0]=4 99 B15R2.41345 Cc1cc(C)cc(C2CCC(=O)O2)c1 Amb27611783 [0,0,0,0,2,0|1,0,0]=3 100 B15R2.41345 Cc1cc(C)cc(C2CNC(=O)N2)c1 Amb27977985 [0,0,0,0,2,0|1,0,0]=3 101 B15R2.41345 Cc1cc(C)cc(C2CNC(=O)O2)c1 Amb26080650 [0,0,0,0,2,0|0,0,0]=2 102 B15R2.41345 Cc1cc(C)cc(C2COC(=O)N2)c1 Amb27413376 [0,0,0,0,2,0|2,0,0]=4 103 B15R2.41345 Cc1cc(C)cc([C@H]2CCC(=O)N2)c1 Amb27466399 [0,0,0,0,2,0|2,0,0]=4 104 B15R2.41345 Cc1cc(C)cc([C@H]2CNC(=O)N2)c1 Amb27982975 [0,0,0,0,2,0|1,0,0]=3 105 B15R2.41345 Cc1cc(C2CNC(=O)O2)cc(Cl)n1 Amb33222306 [0,0,0,0,2,0|2,0,0]=4 106 B15R2.41345 Cc1cc(F)cc(C2CNC(=O)C2)c1 Amb27494732 [0,0,0,0,2,0|2,0,0]=4 107 B15R2.41345 Cc1cc(F)cc(C2CNC(=O)O2)c1 Amb33342726 [0,0,0,0,2,0|1,0,0]=3 108 B15R2.41345 Cc1cc(F)cc([C@H]2CNC(=O)N2)c1 Amb28124873 [0,0,0,0,2,0|2,0,0]=4 109 B15R2.41345 O=C1NCC(c2cc(Cl)cc(Br)c2)O1 Amb33435630 [0,0,0,0,2,0|2,0,0]=4 110 B15R2.41345 O=C1NCC(c2cc(Cl)cc(Cl)c2)O1 Amb33259202 [0,0,0,0,2,0|2,0,0]=4 111 B15R2.41345 O=C1NCC(c2cc(F)cc(Br)c2)O1 Amb33334475 [0,0,0,0,2,0|2,0,0]=4 112 B15R2.41345 O=C1NCC(c2cc(F)cc(Cl)c2)O1 Amb33257428 [0,0,0,0,2,0|2,0,0]=4 113 B15R2.41345 O=C1NCC(c2cc(F)cc(F)c2)O1 Amb28348145 [0,0,0,0,2,0|2,0,0]=4 114 B17R2.5296 O=C1CC(CCOc2cccc(F)c2)CN1 Amb33416939 [1,0,0,0,0,1|2,0,0]=4 115 B17R2.5296 O=C1NCC(CCOc2cccc(F)c2)O1 Amb33416615 [1,0,0,0,0,1|1,0,0]=3