0 B16R2.2832 Brc1ncn(n1)CCCc2ccccc2 Amb19134569 [0,0,0,0,0,0|3,0,1]=4 1 B16R2.2832 Cc1[n]c(CSCc2ccccc2)[n]o1 Amb19420677 [0,0,0,0,0,0|3,0,1]=4 2 B16R2.2832 Clc1[n][n](CCCc2ccccc2)c[n]1 Amb19873921 [0,0,0,0,0,0|3,0,1]=4 3 B16R2.2832 Clc1ncn(n1)CCCc2ccccc2 Amb19147685 [0,0,0,0,0,0|3,0,1]=4 4 B16R2.2832 NC1CCN(C1)CCCc2ccccc2 Amb17471126 [0,0,0,0,0,0|3,0,1]=4 5 B16R2.2832 Nc1[nH][n]c(COCc2ccccc2)[n]1 Amb24571620 [0,0,0,0,0,0|3,0,1]=4 6 B16R2.2832 Nc1[nH]nc(n1)SCCc2ccccc2 Amb1566773 [0,0,0,0,0,0|3,0,1]=4 7 B16R2.2832 Nc1[n][n](COCc2ccccc2)c[n]1 Amb25848339 [0,0,0,0,0,0|3,0,1]=4 8 B16R2.2832 Nc1[n]c(CNCc2ccccc2)c[s]1 Amb18866843 [0,0,0,0,0,0|1,1,2]=4 9 B16R2.2832 Nc1cc[n](CCCc2ccccc2)[n]1 Amb19018439 [0,0,0,0,0,0|2,0,1]=3 10 B16R2.2832 Nc1cc[n](CCOc2ccccc2)[n]1 Amb20674786 [0,0,0,0,0,0|3,0,1]=4 11 B16R2.2832 Nc1cc[n](COCc2ccccc2)[n]1 Amb18654274 [0,0,0,0,0,0|3,0,1]=4 12 B16R2.2832 Nc1onc(c1)CCOc2ccccc2 Amb17238019 [0,0,0,0,0,0|3,0,1]=4 13 B16R2.2832 Nc1snc(n1)SCCc2ccccc2 Amb2148708 [0,0,0,0,0,0|2,1,1]=4 14 B16R2.2832 O=C1CC(CN1)COCc2ccccc2 Amb24416706 [0,0,0,0,0,0|4,0,0]=4 15 B16R2.2832 O=C1CCC(COCc2ccccc2)N1 Amb24681146 [0,0,0,0,0,0|3,0,1]=4 16 B16R2.2832 O=C1CCC(COCc2ccccc2)O1 Amb25378980 [0,0,0,0,0,0|4,0,0]=4 17 B16R2.2832 O=C1CCC(N1)CNCc2ccccc2 Amb10607307 [0,0,0,0,0,0|3,0,1]=4 18 B16R2.2832 O=C1CC[C@@H](CNCc2ccccc2)N1 Amb22586685 [0,0,0,0,0,0|3,0,1]=4 19 B16R2.2832 O=C1CC[C@@H](COCc2ccccc2)N1 Amb24418408 [0,0,0,0,0,0|3,0,1]=4 20 B16R2.2832 O=C1CC[C@H](N1)CNCc2ccccc2 Amb10844923 [0,0,0,0,0,0|3,0,1]=4 21 B16R2.2832 O=C1NCC(CNCc2ccccc2)O1 Amb25137274 [0,0,0,0,0,0|4,0,0]=4 22 B16R2.2832 O=C1NC[C@@H](CNCc2ccccc2)O1 Amb25040024 [0,0,0,0,0,0|4,0,0]=4 23 B16R2.2832 O=C1N[C@H](CO1)COCc2ccccc2 Amb25103672 [0,0,0,0,0,0|2,0,1]=3 24 B16R2.2832 O=C1OCC(O1)COCc2ccccc2 Amb10071643 [0,0,0,0,0,0|3,0,0]=3 25 B16R2.2832 Sc1[n]c(COCc2ccccc2)[n]o1 Amb25257793 [0,0,0,0,0,0|3,0,1]=4 26 B15R2.2196 C(NCc1[n]oc[n]1)c2ccccc2 Amb25098031 [1,0,0,0,0,0|2,0,1]=4 27 B15R2.2196 C(NCc1ccccc1)C2CC=CC2 Amb18649677 [1,0,0,0,0,0|3,0,0]=4 28 B15R2.2196 C1CC(CCNc2ccccc2)C=C1 Amb25312051 [1,0,0,0,0,0|3,0,0]=4 29 B15R2.2196 C1NCCC1CCCc2ccccc2 Amb21959199 [1,0,0,0,0,0|2,0,1]=4 30 B15R2.2196 C1OCCC1NCCc2ccccc2 Amb20667617 [1,0,0,0,0,0|2,0,1]=4 31 B15R2.2196 C1OCCC1NCCc2ccccc2 Amb22059244 [1,0,0,0,0,0|2,0,1]=4 32 B17R2.212 Cc1[n]c(CCCc2ccc(N)cc2)[n]o1 Amb18225946 [0,1,0,0,0,0|2,0,1]=4 33 B17R2.2523 NCc1[n]c(COCc2ccccc2)[n]o1 Amb25856419 [0,1,0,0,0,0|2,0,1]=4 34 B17R2.3229 CN(Cc1ccccc1)CC2CN=C(N)O2 Amb25290268 [0,1,0,0,0,0|3,0,0]=4 35 B17R2.3231 CC1=NC(CO1)C(=O)NCc2ccccc2 Amb24757582 [0,1,0,0,0,0|2,0,1]=4 36 B17R2.3231 CC1=N[C@H](CO1)C(=O)NCc2ccccc2 Amb25177845 [0,1,0,0,0,0|2,0,1]=4 37 B17R2.3348 Cc1cc(N)[n][n]1CCCc2ccccc2 Amb19890900 [0,1,0,0,0,0|2,0,1]=4 38 B15R1.504 CC(=N)NCCCOCc1ccccc1 Amb25257442 [0,0,1,0,0,0|3,0,0]=4 39 B15R1.504 CC(=O)OCCCNCc1ccccc1 Amb18266489 [0,0,1,0,0,0|3,0,0]=4 40 B15R1.504 NC(=N)CCCCOCc1ccccc1 Amb25214522 [0,0,1,0,0,0|2,0,0]=3 41 B15R1.504 NC(=N)NCCCCCc1ccccc1 Amb19320760 [0,0,1,0,0,0|1,0,0]=2 42 B15R1.504 NC(=N)NNCCCOc1ccccc1 Amb22447686 [0,0,1,0,0,0|3,0,0]=4 43 B15R1.504 NC(=N)SCCCOCc1ccccc1 Amb25802156 [0,0,1,0,0,0|1,1,0]=3 44 B15R1.504 NC(=O)CCCCNCc1ccccc1 Amb24624957 [0,0,1,0,0,0|3,0,0]=4 45 B15R1.504 NC(=O)OCCCNCc1ccccc1 Amb25087951 [0,0,1,0,0,0|2,0,0]=3 46 B15R1.504 NC(=S)CCCCOCc1ccccc1 Amb25049696 [0,0,1,0,0,0|3,0,0]=4 47 B15R1.504 NC(=S)NCCCOCc1ccccc1 Amb24620736 [0,0,1,0,0,0|3,0,0]=4 48 B15R1.504 NC(N)=NCCCNCc1ccccc1 Amb25691428 [0,0,1,0,0,0|2,0,1]=4 49 B15R1.962 COC(=O)CCCNCc1ccccc1 Amb20668282 [0,0,1,0,0,0|3,0,0]=4 50 B15R1.1306 [N-]=[N+]=N[C@H](CO)COCc1ccccc1 Amb25164617 [0,0,1,0,0,0|2,0,1]=4 51 B15R1.9084 CC(CC(=O)N)NCCc1ccccc1 Amb17239031 [0,0,1,0,0,0|2,0,1]=4 52 B15R1.9084 CC(COCc1ccccc1)CC(N)=S Amb25717615 [0,0,1,0,0,0|2,1,0]=4 53 B15R1.9084 CC(COCc1ccccc1)NC(N)=N Amb24531272 [0,0,1,0,0,0|2,0,1]=4 54 B15R1.9084 CC(COCc1ccccc1)NC(N)=O Amb24531304 [0,0,1,0,0,0|1,0,2]=4 55 B15R1.9084 C[C@@H](COCc1ccccc1)CC(N)=S Amb25680497 [0,0,1,0,0,0|2,1,0]=4 56 B15R1.9084 C[C@H](CC(=O)O)COCc1ccccc1 Amb10844391 [0,0,1,0,0,0|3,0,0]=4 57 B15R1.9084 C[C@H](COCc1ccccc1)CC(O)=O Amb25131145 [0,0,1,0,0,0|3,0,0]=4 58 B15R2.283 NC1=NC(CCc2c[n]ccc2)CS1 Amb24393487 [0,0,0,0,1,0|1,1,0]=3 59 B15R2.283 NC1=NC(CCc2ccccc2)CO1 Amb25376590 [0,0,0,0,1,0|0,0,0]=1 60 B15R2.283 NC1=NC(CNc2ccccc2)CO1 Amb25804113 [0,0,0,0,1,0|1,0,0]=2 61 B15R2.283 NC1=NCC(COc2ccccc2)O1 Amb24652587 [0,0,0,0,1,0|3,0,0]=4 62 B15R2.283 NC1=NCC(CSc2ccccc2)S1 Amb24348684 [0,0,0,0,1,0|3,0,0]=4 63 B15R2.283 NC1=NCC(O1)CSc2ccccc2 Amb17595588 [0,0,0,0,1,0|3,0,0]=4 64 B15R2.283 NC1=N[C@@H](CNc2ccccc2)CO1 Amb25814903 [0,0,0,0,1,0|1,0,0]=2 65 B15R2.283 NC1=N[C@H](CCc2cc[n]cc2)CS1 Amb25709723 [0,0,0,0,1,0|1,1,0]=3 66 B15R2.283 NC1CC(CC1)CCc2ccccc2 Amb25756853 [0,0,0,0,1,0|2,0,1]=4 67 B15R2.283 Nc1[nH]nc(n1)CCc2ccccc2 Amb10607718 [0,0,0,0,1,0|2,0,1]=4 68 B15R2.283 Nc1[n][n](CCc2ccccc2)[n][n]1 Amb25664160 [0,0,0,0,1,0|3,0,0]=4 69 B15R2.283 Nc1[n][n](CCc2ccccc2)c[n]1 Amb19747703 [0,0,0,0,1,0|2,0,1]=4 70 B15R2.283 Nc1[n][s]c(CCc2ccccc2)[n]1 Amb25103913 [0,0,0,0,1,0|2,0,1]=4 71 B15R2.283 Nc1[n]c(CCc2ccccc2)[n][s]1 Amb18292122 [0,0,0,0,1,0|1,1,1]=4 72 B15R2.283 Nc1[n]c(CCc2ccccc2)[n]o1 Amb18991331 [0,0,0,0,1,0|1,0,1]=3 73 B15R2.283 Nc1[n]c(CCc2ccccc2)c[s]1 Amb22477663 [0,0,0,0,1,0|0,1,2]=4 74 B15R2.283 Nc1[n]c(COc2ccccc2)[n]o1 Amb18995138 [0,0,0,0,1,0|2,0,1]=4 75 B15R2.283 Nc1[n]oc(CCc2ccccc2)[n]1 Amb24083478 [0,0,0,0,1,0|2,0,1]=4 76 B15R2.283 Nc1c[n+](CCc2ccccc2)[n]o1 Amb19650266 [0,0,0,0,1,0|3,0,0]=4 77 B15R2.283 Nc1n[nH]c(CCc2ccccc2)n1 Amb17915081 [0,0,0,0,1,0|2,0,1]=4 78 B15R2.283 Nc1n[nH]c(n1)CCc2ccccc2 Amb15740860 [0,0,0,0,1,0|2,0,1]=4 79 B15R2.283 Nc1nc(CCc2ccccc2)cs1 Amb17943401 [0,0,0,0,1,0|0,1,2]=4 80 B15R2.283 Nc1scc(n1)CCc2ccccc2 Amb17238165 [0,0,0,0,1,0|0,1,2]=4 81 B15R2.283 O=C1CC(CO1)NCc2ccccc2 Amb24563385 [0,0,0,0,1,0|3,0,0]=4 82 B15R2.283 O=C1C[C@H](CO1)NCc2ccccc2 Amb25233437 [0,0,0,0,1,0|3,0,0]=4 83 B15R2.283 O=C1NC(CCc2ccccc2)CO1 Amb25217512 [0,0,0,0,1,0|1,0,1]=3 84 B15R2.283 O=C1NC(CO1)OCc2ccccc2 Amb25108221 [0,0,0,0,1,0|2,0,1]=4 85 B15R2.283 O=C1N[C@@H](CCc2ccccc2)CO1 Amb24336441 [0,0,0,0,1,0|1,0,1]=3 86 B15R2.283 O=C1OC(CO1)COc2ccccc2 Amb22446931 [0,0,0,0,1,0|3,0,0]=4 87 B15R2.342 O=C1CCC1COCc2ccccc2 Amb25316137 [0,0,0,0,1,0|3,0,0]=4 88 B15R2.617 N[C@@H]1C[C@H](COCc2ccccc2)C1 Amb22746994 [0,0,0,0,1,0|2,0,1]=4 89 B15R2.617 O=C1CC(C1)COCc2ccccc2 Amb10873134 [0,0,0,0,1,0|3,0,0]=4 90 B15R2.617 O=C1C[C@H](COCc2ccccc2)N1 Amb25727775 [0,0,0,0,1,0|2,0,1]=4 91 B17R2.3230 NC1CC(CC1)CCOCc2ccccc2 Amb24591935 [0,0,0,0,0,1|2,0,1]=4 92 B17R2.3230 Nc1[n]c(CCOCc2ccccc2)[n][s]1 Amb24552681 [0,0,0,0,0,1|1,1,1]=4 93 B17R2.3230 Nc1cc[n](CCCOc2ccccc2)[n]1 Amb19890891 [0,0,0,0,0,1|2,0,1]=4 94 B17R2.3230 Nc1cc[n](CCOCc2ccccc2)[n]1 Amb25859539 [0,0,0,0,0,1|2,0,1]=4 95 B17R2.3230 O=C1CC(CCOCc2ccccc2)CC1 Amb24677288 [0,0,0,0,0,1|3,0,0]=4 96 B17R2.3230 O=C1CCC(CCNCc2ccccc2)N1 Amb25767531 [0,0,0,0,0,1|2,0,1]=4 97 B17R2.3230 Sc1[n]c(CCOCc2ccccc2)[n]o1 Amb24709576 [0,0,0,0,0,1|2,0,1]=4 98 B14R1.520 NOCC(O)COCc1ccccc1 Amb25351121 [1,0,1,0,0,0|2,0,0]=4 99 B14R1.546 NCC(CO)COCc1ccccc1 Amb25839371 [1,0,1,0,0,0|1,0,1]=4 100 B14R1.546 NC[C@@H](CO)COCc1ccccc1 Amb24384147 [1,0,1,0,0,0|1,0,1]=4 101 B14R1.546 NC[C@H](CO)COCc1ccccc1 Amb25776834 [1,0,1,0,0,0|1,0,1]=4 102 B16R1.609 NC(=N)NCCCCN(c1ccccc1)C Amb15764697 [0,1,1,0,0,0|2,0,0]=4 103 B16R1.610 CN(Cc1ccccc1)CCCNC(=N)N Amb11198584 [0,1,1,0,0,0|2,0,0]=4 104 B16R1.610 CN(Cc1ccccc1)CCCNC(N)=N Amb24186971 [0,1,1,0,0,0|2,0,0]=4 105 B16R1.1166 CNC(=O)OCCCNCc1ccccc1 Amb25713230 [0,1,1,0,0,0|2,0,0]=4 106 B16R1.1166 N\C(=N\N)\SCCCOCc1ccccc1 Amb25360500 [0,1,1,0,0,0|1,1,0]=4 107 B16R1.1166 N\C(\NCCCOCc1ccccc1)=N\N Amb25186704 [0,1,1,0,0,0|2,0,0]=4 108 B16R1.7 CN\C(\N)=N\CCCOc1ccc(F)cc1 Amb24222435 [0,1,1,0,0,0|2,0,0]=4 109 B16R1.1329 CN\C(\N)=N\CCS(=O)Cc1ccccc1 Amb25541189 [0,1,1,0,0,0|2,0,0]=4 110 B16R2.2334 NCc1[n]c(CCc2ccccc2)[n]o1 Amb24770969 [0,1,0,0,1,0|1,0,1]=4 111 B18R2.2741 CNc1[n]c(CCOCc2ccccc2)[n]o1 Amb24576261 [0,1,0,0,0,1|1,0,1]=4 112 B16R2.36 NC(=N)NCCN1CCc2ccccc12 Amb18567097 [0,0,1,1,0,0|2,0,0]=4 113 B16R3.335 NC1=NC2CCc3ccccc3C2O1 Amb24336485 [0,0,0,1,1,0|0,0,0]=2 114 B16R3.335 NC1=N[C@@H]2CCc3ccccc3[C@H]2O1 Amb24655038 [0,0,0,1,1,0|0,0,0]=2 115 B16R3.335 NC=1CC2C(CCc3ccccc32)N1 Amb24428116 [0,0,0,1,1,0|1,0,0]=3 116 B16R3.335 O=C1NC2CCc3ccccc3C2O1 Amb25166159 [0,0,0,1,1,0|1,0,1]=4 117 B16R3.335 O=C1N[C@H]2CCc3ccccc3[C@@H]2O1 Amb24562298 [0,0,0,1,1,0|1,0,1]=4 118 B16R3.335 [C@@H]12CC(=O)O[C@H]1c3ccccc3CC2 Amb17778863 [0,0,0,1,1,0|2,0,0]=4 119 B16R3.335 [C@H]12CC(=O)O[C@H]1c3ccccc3CC2 Amb17778862 [0,0,0,1,1,0|2,0,0]=4 120 B16R3.10764 NC1=NCC2(CCc3ccccc23)O1 Amb25185696 [0,0,0,1,1,0|2,0,0]=4 121 B16R3.258 O=C1CCC12CCCc3c2cccc3 Amb17594836 [0,0,0,1,1,0|2,0,0]=4 122 B16R3.2302 O=C1CC2C1CCCc3ccccc32 Amb24756245 [0,0,0,1,1,0|2,0,0]=4 123 B16R3.231 NC1CC(C1)CC2Cc3ccccc32 Amb25666568 [0,0,0,1,1,0|1,0,1]=4 124 B16R3.27490 O=C1CC2(CCCc3ccccc23)N1 Amb24413277 [0,0,0,1,1,0|1,0,1]=4 125 B18R3.213 O=C1CC2C(O1)C(CCC2)c3ccccc3 Amb1907128 [0,0,0,1,0,1|2,0,0]=4 126 B18R3.51412 O=C1OC[C@@H]2CCNCc3ccccc3N12 Amb22544511 [0,0,0,1,0,1|1,0,1]=4 127 B14R1.716 CCC(=O)CCCCc1ccccc1 Amb17234942 [0,0,1,0,1,0|2,0,0]=4 128 B14R1.716 COC(=O)CCCCc1cccc[n]1 Amb24113266 [0,0,1,0,1,0|2,0,0]=4 129 B14R1.716 COC(=O)CCCOc1ccccc1 Amb2170599 [0,0,1,0,1,0|2,0,0]=4 130 B14R1.818 CC(CCc1ccccc1)NC(N)=N Amb19073485 [0,0,1,0,1,0|1,0,1]=4 131 B14R1.818 CC(CCc1ccccc1)NC(N)=O Amb19078987 [0,0,1,0,1,0|0,0,2]=4 132 B14R1.6449 CC(C(=O)O)CCOc1ccccc1 Amb17235913 [0,0,1,0,1,0|2,0,0]=4 133 B14R1.6449 CC(CNCc1ccccc1)C(O)=O Amb20623866 [0,0,1,0,1,0|2,0,0]=4 134 B14R1.6449 C[C@@H](C(=O)O)COCc1ccccc1 Amb10844261 [0,0,1,0,1,0|2,0,0]=4 135 B14R1.6449 C[C@H](C(=O)O)COCc1ccccc1 Amb10844264 [0,0,1,0,1,0|2,0,0]=4 136 B14R1.6449 NC(CCCc1ccccc1)C(O)=O Amb19342362 [0,0,1,0,1,0|2,0,0]=4 137 B14R1.6449 N[C@@H](CCCc1ccccc1)C(O)=O Amb20241024 [0,0,1,0,1,0|2,0,0]=4 138 B14R2.3019 C1OCC1COCc2ccccc2 Amb22899980 [1,0,0,0,1,0|1,0,1]=4 139 B14R2.19 NC1=NC(Cc2cc[n]cc2)CS1 Amb24488817 [0,0,0,0,2,0|1,1,0]=4 140 B14R2.19 NC1=NC(Cc2ccccc2)CO1 Amb23449444 [0,0,0,0,2,0|0,0,0]=2 141 B14R2.19 NC1=N[C@H](Cc2c[n]ccc2)CS1 Amb25670320 [0,0,0,0,2,0|1,1,0]=4 142 B14R2.19 NC1=N[C@H](Cc2cc[n]cc2)CS1 Amb25364144 [0,0,0,0,2,0|1,1,0]=4 143 B14R2.19 NC1=N[C@H](Cc2ccccc2)CS1 Amb25729987 [0,0,0,0,2,0|0,1,0]=3 144 B14R2.19 NC=1NCC(N1)Oc2ccccc2 Amb24396134 [0,0,0,0,2,0|2,0,0]=4 145 B14R2.19 Nc1[n]c(Cc2ccccc2)[n]o1 Amb18961686 [0,0,0,0,2,0|1,0,1]=4 146 B14R2.19 Nc1[n]c(Cc2ccccc2)co1 Amb22499416 [0,0,0,0,2,0|0,0,2]=4 147 B14R2.31 NC1CCC1CCc2ccccc2 Amb25757178 [0,0,0,0,2,0|1,0,1]=4 148 B14R2.31 O=C1CCC1CCc2ccccc2 Amb24492658 [0,0,0,0,2,0|2,0,0]=4 149 B14R2.31 O=C1CC[C@H]1CCc2ccccc2 Amb24364139 [0,0,0,0,2,0|2,0,0]=4 150 B16R1.596 NC(=N)CCOCCOCc1ccccc1 Amb25281156 [0,0,1,0,0,1|2,0,0]=4 151 B16R1.596 NC(=S)CCCCCOCc1ccccc1 Amb25272758 [0,0,1,0,0,1|2,0,0]=4 152 B16R2.2257 C(NCCC1COCC1)c2ccccc2 Amb25033647 [1,0,0,0,0,1|1,0,1]=4 153 B18R2.270 O=C1OCC(CO1)CCOCc2ccccc2 Amb25838019 [0,0,0,0,0,2|2,0,0]=4