0 B16R2.2832 Brc1nc(CCCc2ccccc2)co1 Amb33129301 [0,0,0,0,0,0|1,0,2]=3 1 B16R2.2832 Brc1nc(CCCc2ccccc2)cs1 Amb33129295 [0,0,0,0,0,0|1,1,2]=4 2 B16R2.2832 Brc1ncn(CCCc2ccccc2)n1 Amb19134569 [0,0,0,0,0,0|3,0,1]=4 3 B16R2.2832 Clc1nc(CCCc2ccccc2)cs1 Amb33129296 [0,0,0,0,0,0|1,1,2]=4 4 B16R2.2832 Clc1ncn(CCCc2ccccc2)n1 Amb19147685 [0,0,0,0,0,0|3,0,1]=4 5 B16R2.2832 Clc1ncn(CCCc2ccccc2)n1 Amb19873921 [0,0,0,0,0,0|3,0,1]=4 6 B16R2.2832 Fc1nc(CCCc2ccccc2)cs1 Amb33129324 [0,0,0,0,0,0|1,1,2]=4 7 B16R2.2832 Ic1nc(CCCc2ccccc2)co1 Amb33129302 [0,0,0,0,0,0|1,0,2]=3 8 B16R2.2832 NC1CCC(COCc2ccccc2)C1 Amb27767204 [0,0,0,0,0,0|3,0,1]=4 9 B16R2.2832 NC1CCN(CCCc2ccccc2)C1 Amb17471126 [0,0,0,0,0,0|3,0,1]=4 10 B16R2.2832 N[C@H]1CC[C@@H](CNCc2ccccc2)C1 Amb33071898 [0,0,0,0,0,0|3,0,1]=4 11 B16R2.2832 N[C@H]1CC[C@@H](COCc2ccccc2)C1 Amb28204069 [0,0,0,0,0,0|3,0,1]=4 12 B16R2.2832 Nc1cc(CCOc2ccccc2)no1 Amb17238019 [0,0,0,0,0,0|3,0,1]=4 13 B16R2.2832 Nc1ccn(CCCc2ccccc2)n1 Amb19018439 [0,0,0,0,0,0|2,0,1]=3 14 B16R2.2832 Nc1ccn(CCOc2ccccc2)n1 Amb20674786 [0,0,0,0,0,0|3,0,1]=4 15 B16R2.2832 Nc1ccn(CCSc2ccccc2)n1 Amb33037858 [0,0,0,0,0,0|3,0,1]=4 16 B16R2.2832 Nc1ccn(COCc2ccccc2)n1 Amb18654274 [0,0,0,0,0,0|3,0,1]=4 17 B16R2.2832 Nc1cn(CCCc2ccccc2)cn1 Amb33037717 [0,0,0,0,0,0|3,0,1]=4 18 B16R2.2832 Nc1cn(CCCc2ccccc2)nn1 Amb32703040 [0,0,0,0,0,0|4,0,0]=4 19 B16R2.2832 Nc1cnn(CCCc2ccccc2)c1 Amb6667063 [0,0,0,0,0,0|4,0,0]=4 20 B16R2.2832 Nc1cnn(CCCc2ccccc2)n1 Amb32702542 [0,0,0,0,0,0|3,0,0]=3 21 B16R2.2832 Nc1cnn(CCOc2ccccc2)n1 Amb32702545 [0,0,0,0,0,0|4,0,0]=4 22 B16R2.2832 Nc1cnn(CCSc2ccccc2)n1 Amb32702601 [0,0,0,0,0,0|4,0,0]=4 23 B16R2.2832 Nc1cnn(COCc2ccccc2)n1 Amb33165974 [0,0,0,0,0,0|4,0,0]=4 24 B16R2.2832 Nc1csc(COCc2ccccc2)n1 Amb27955721 [0,0,0,0,0,0|3,0,1]=4 25 B16R2.2832 Nc1nc(CCCc2ccccc2)co1 Amb33129276 [0,0,0,0,0,0|0,0,2]=2 26 B16R2.2832 Nc1nc(CCCc2ccccc2)cs1 Amb33129300 [0,0,0,0,0,0|0,1,2]=3 27 B16R2.2832 Nc1nc(CCOc2ccccc2)cs1 Amb3318993 [0,0,0,0,0,0|1,1,2]=4 28 B16R2.2832 Nc1nc(CNCc2ccccc2)cs1 Amb18866843 [0,0,0,0,0,0|1,1,2]=4 29 B16R2.2832 Nc1nc(COCc2ccccc2)no1 Amb27666114 [0,0,0,0,0,0|2,0,1]=3 30 B16R2.2832 Nc1nc(COCc2ccccc2)ns1 Amb27862699 [0,0,0,0,0,0|2,1,1]=4 31 B16R2.2832 Nc1ncn(CCCc2ccccc2)n1 Amb19015585 [0,0,0,0,0,0|2,0,1]=3 32 B16R2.2832 Nc1ncn(CCOc2ccccc2)n1 Amb33037851 [0,0,0,0,0,0|3,0,1]=4 33 B16R2.2832 Nc1ncn(CCSc2ccccc2)n1 Amb33037861 [0,0,0,0,0,0|3,0,1]=4 34 B16R2.2832 Nc1ncn(COCc2ccccc2)n1 Amb25848339 [0,0,0,0,0,0|3,0,1]=4 35 B16R2.2832 Nc1nnc(CCCc2ccccc2)o1 Amb9206281 [0,0,0,0,0,0|3,0,1]=4 36 B16R2.2832 Nc1nnc(CCCc2ccccc2)s1 Amb836456 [0,0,0,0,0,0|3,0,1]=4 37 B16R2.2832 O=C1CC(CCOc2ccccc2)CN1 Amb33082681 [0,0,0,0,0,0|4,0,0]=4 38 B16R2.2832 O=C1CCC(CNCc2ccccc2)N1 Amb10607307 [0,0,0,0,0,0|3,0,1]=4 39 B16R2.2832 O=C1CC[C@@H](CNCc2ccccc2)N1 Amb22586685 [0,0,0,0,0,0|3,0,1]=4 40 B16R2.2832 O=C1CC[C@H](CNCc2ccccc2)N1 Amb27201411 [0,0,0,0,0,0|3,0,1]=4 41 B16R2.2832 O=C1CC[C@H](COCc2ccccc2)N1 Amb27599959 [0,0,0,0,0,0|3,0,1]=4 42 B16R2.2832 O=C1NC(CCOc2ccccc2)CO1 Amb33080548 [0,0,0,0,0,0|2,0,1]=3 43 B16R2.2832 O=C1NC(COCc2ccccc2)CO1 Amb27646362 [0,0,0,0,0,0|2,0,1]=3 44 B16R2.2832 O=C1NCC(CCOc2ccccc2)O1 Amb33080538 [0,0,0,0,0,0|4,0,0]=4 45 B16R2.2832 O=C1NCC(COCc2ccccc2)O1 Amb534370 [0,0,0,0,0,0|4,0,0]=4 46 B16R2.2832 O=C1NC[C@@H](COCc2ccccc2)O1 Amb28068763 [0,0,0,0,0,0|4,0,0]=4 47 B16R2.2832 O=C1OCC(COCc2ccccc2)O1 Amb10071643 [0,0,0,0,0,0|3,0,0]=3 48 B16R2.2832 Sc1nc(CCCc2ccccc2)co1 Amb33129312 [0,0,0,0,0,0|1,0,2]=3 49 B16R2.2832 Sc1nc(CCCc2ccccc2)cs1 Amb33129306 [0,0,0,0,0,0|1,1,2]=4 50 B15R2.2196 C1=CC(CNCc2ccccc2)CC1 Amb27425634 [1,0,0,0,0,0|3,0,0]=4 51 B15R2.2196 C1=CCC(COCc2ccccc2)C1 Amb27249539 [1,0,0,0,0,0|3,0,0]=4 52 B15R2.2196 c1ccc(CCCC2CCCN2)cc1 Amb3788434 [1,0,0,0,0,0|1,0,2]=4 53 B15R2.2196 c1ccc(CCCC2CCNC2)cc1 Amb21959199 [1,0,0,0,0,0|2,0,1]=4 54 B15R2.2196 c1ccc(CCNC2CCOC2)cc1 Amb20667617 [1,0,0,0,0,0|2,0,1]=4 55 B15R2.2196 c1ccc(CCNC2CCOC2)cc1 Amb22059244 [1,0,0,0,0,0|2,0,1]=4 56 B15R2.2196 c1ccc(CNCC2CCOC2)cc1 Amb32410100 [1,0,0,0,0,0|2,0,1]=4 57 B15R2.2196 c1ccc(CNCC2COCO2)cc1 Amb27962885 [1,0,0,0,0,0|2,0,1]=4 58 B17R2.212 Cc1nc(CCCc2ccc(N)cc2)no1 Amb18225946 [0,1,0,0,0,0|2,0,1]=4 59 B17R2.2523 NCc1nc(CCCc2ccccc2)no1 Amb32454375 [0,1,0,0,0,0|1,0,1]=3 60 B17R2.2523 NCc1nc(COCc2ccccc2)no1 Amb25856419 [0,1,0,0,0,0|2,0,1]=4 61 B17R2.5296 O=C1NC(CCOc2cccc(F)c2)CO1 Amb33416616 [0,1,0,0,0,0|2,0,1]=4 62 B15R1.157 CCOCC(N)CCCc1ccccc1 Amb33129327 [0,0,1,0,0,0|1,0,2]=4 63 B15R1.157 CCOCC(O)CCCc1ccccc1 Amb33129297 [0,0,1,0,0,0|2,0,1]=4 64 B15R1.504 CC(=O)OCCCNCc1ccccc1 Amb18266489 [0,0,1,0,0,0|3,0,0]=4 65 B15R1.504 N=C(N)CCCOCCc1ccccn1 Amb9208849 [0,0,1,0,0,0|3,0,0]=4 66 B15R1.504 N=C(N)NCCCOCc1ccccc1 Amb27825528 [0,0,1,0,0,0|2,0,0]=3 67 B15R1.504 NC(=S)CCCOCCc1ccccc1 Amb9208594 [0,0,1,0,0,0|3,0,0]=4 68 B15R1.504 O=C(O)CCCCCCc1ccccc1 Amb2690289 [0,0,1,0,0,0|3,0,0]=4 69 B15R1.962 COC(=O)CCCNCc1ccccc1 Amb33549509 [0,0,1,0,0,0|3,0,0]=4 70 B15R1.962 COC(=O)CCCNCc1ccccc1 Amb8951848 [0,0,1,0,0,0|3,0,0]=4 71 B15R1.962 COC(=O)CCCOCc1ccccc1 Amb8961276 [0,0,1,0,0,0|3,0,0]=4 72 B15R1.1306 C=CCC(CO)CNCc1ccccc1 Amb27854462 [0,0,1,0,0,0|3,0,0]=4 73 B15R1.1306 [N-]=[N+]=N[C@@H](CO)COCc1ccccc1 Amb27597063 [0,0,1,0,0,0|2,0,1]=4 74 B15R1.9084 CC(CNCc1ccccc1)CC(=O)O Amb27852616 [0,0,1,0,0,0|3,0,0]=4 75 B15R1.9084 CC(COCc1ccccc1)CC(=N)N Amb28204126 [0,0,1,0,0,0|3,0,0]=4 76 B15R1.9084 CC(COCc1ccccc1)CC(=O)O Amb4476984 [0,0,1,0,0,0|3,0,0]=4 77 B15R1.9084 CC(COCc1ccccc1)NC(N)=S Amb27483415 [0,0,1,0,0,0|1,1,1]=4 78 B15R1.9084 CN(CCCc1ccccc1)CC(=O)O Amb9301026 [0,0,1,0,0,0|3,0,0]=4 79 B15R1.9084 C[C@@H](COCc1ccccc1)CC(=N)N Amb27960369 [0,0,1,0,0,0|3,0,0]=4 80 B15R1.9084 C[C@H](COCc1ccccc1)CC(=N)N Amb27174327 [0,0,1,0,0,0|3,0,0]=4 81 B17R3.26 Clc1nc(C2CCc3ccccc32)no1 Amb27974678 [0,0,0,1,0,0|2,0,1]=4 82 B17R3.26 Nc1cc(C2CCc3ccccc32)no1 Amb33143979 [0,0,0,1,0,0|2,0,1]=4 83 B17R3.26 Nc1nc(C2CCc3ccccc32)cs1 Amb33144602 [0,0,0,1,0,0|0,1,2]=4 84 B17R3.26 O=C1CC(C2CCc3ccccc32)CN1 Amb33144604 [0,0,0,1,0,0|3,0,0]=4 85 B17R3.26 O=C1NC(C2CCc3ccccc32)CO1 Amb33144600 [0,0,0,1,0,0|1,0,1]=3 86 B17R3.26 O=C1NCC(C2CCc3ccccc32)O1 Amb33144599 [0,0,0,1,0,0|3,0,0]=4 87 B17R3.2379 O=C1CCC(C2CC2c3ccccc3)C1 Amb28041255 [0,0,0,1,0,0|3,0,0]=4 88 B17R3.2396 Nc1ccn(CC2Cc3ccccc32)n1 Amb33037662 [0,0,0,1,0,0|2,0,1]=4 89 B17R3.2396 Nc1cnn(CC2Cc3ccccc32)n1 Amb32702540 [0,0,0,1,0,0|3,0,0]=4 90 B17R3.2396 Nc1ncn(CC2Cc3ccccc32)n1 Amb33037665 [0,0,0,1,0,0|2,0,1]=4 91 B15R2.283 NC1=NC(CSc2ccccc2)CO1 Amb27784910 [0,0,0,0,1,0|1,0,0]=2 92 B15R2.283 NC1=NCC(CCc2ccccc2)O1 Amb27746954 [0,0,0,0,1,0|2,0,0]=3 93 B15R2.283 NC1=NCC(CSc2ccccc2)O1 Amb17595588 [0,0,0,0,1,0|3,0,0]=4 94 B15R2.283 NC1=N[C@@H](CCc2ccccc2)CO1 Amb27969242 [0,0,0,0,1,0|0,0,0]=1 95 B15R2.283 NC1=N[C@H](CCc2ccccc2)CO1 Amb27879567 [0,0,0,0,1,0|0,0,0]=1 96 B15R2.283 NC1=N[C@H](CCc2ccccn2)CS1 Amb27950924 [0,0,0,0,1,0|1,1,0]=3 97 B15R2.283 NC1=N[C@H](CCc2cccnc2)CS1 Amb27868556 [0,0,0,0,1,0|1,1,0]=3 98 B15R2.283 NC1=N[C@H](COc2ccccc2)CO1 Amb27464440 [0,0,0,0,1,0|1,0,0]=2 99 B15R2.283 Nc1c[n+](CCc2ccccc2)no1 Amb19650266 [0,0,0,0,1,0|3,0,0]=4 100 B15R2.283 Nc1cc(CCc2ccccc2)no1 Amb33529147 [0,0,0,0,1,0|2,0,1]=4 101 B15R2.283 Nc1ccn(CCc2ccccc2)n1 Amb7173304 [0,0,0,0,1,0|2,0,1]=4 102 B15R2.283 Nc1cnn(CCc2ccccc2)n1 Amb32702378 [0,0,0,0,1,0|3,0,0]=4 103 B15R2.283 Nc1csc(CCc2ccccc2)n1 Amb28341882 [0,0,0,0,1,0|2,0,1]=4 104 B15R2.283 Nc1nc(CCc2ccccc2)cs1 Amb17238165 [0,0,0,0,1,0|0,1,2]=4 105 B15R2.283 Nc1nc(CCc2ccccc2)ns1 Amb18292122 [0,0,0,0,1,0|1,1,1]=4 106 B15R2.283 Nc1nc(CCc2ccccn2)no1 Amb35722902 [0,0,0,0,1,0|2,0,1]=4 107 B15R2.283 Nc1nc(COc2ccccc2)no1 Amb18995138 [0,0,0,0,1,0|2,0,1]=4 108 B15R2.283 Nc1nc(NCc2ccccc2)no1 Amb27968590 [0,0,0,0,1,0|2,0,1]=4 109 B15R2.283 Nc1ncn(CCc2ccccc2)n1 Amb19747703 [0,0,0,0,1,0|2,0,1]=4 110 B15R2.283 O=C1CC(CCc2ccccc2)CN1 Amb26954493 [0,0,0,0,1,0|3,0,0]=4 111 B15R2.283 O=C1CCC(CCc2ccccc2)C1 Amb28124539 [0,0,0,0,1,0|3,0,0]=4 112 B15R2.283 O=C1CCC(CCc2ccccc2)N1 Amb27596663 [0,0,0,0,1,0|2,0,1]=4 113 B15R2.283 O=C1NC(CCc2ccccc2)CO1 Amb25217512 [0,0,0,0,1,0|1,0,1]=3 114 B15R2.283 O=C1NCC(CCc2ccccc2)O1 Amb27662552 [0,0,0,0,1,0|3,0,0]=4 115 B15R2.283 O=C1OCC(CNc2ccccc2)O1 Amb28137905 [0,0,0,0,1,0|3,0,0]=4 116 B15R2.283 S=C1NC(CCc2ccccc2)CO1 Amb28241411 [0,0,0,0,1,0|1,0,1]=3 117 B15R2.283 S=C1NCC(CCc2ccccc2)O1 Amb28046293 [0,0,0,0,1,0|3,0,0]=4 118 B15R2.283 Sc1nc(CCc2ccccc2)no1 Amb27419282 [0,0,0,0,1,0|2,0,1]=4 119 B15R2.342 O=C1CCC1COCc2ccccc2 Amb25316137 [0,0,0,0,1,0|3,0,0]=4 120 B15R2.617 C=C1CC(COCc2ccccc2)C1 Amb27407558 [0,0,0,0,1,0|3,0,0]=4 121 B15R2.617 NC1CC(COCc2ccccc2)C1 Amb28397503 [0,0,0,0,1,0|2,0,1]=4 122 B15R2.617 NC1CC(COCc2ccccc2)C1 Amb31156551 [0,0,0,0,1,0|2,0,1]=4 123 B15R2.617 O=C1CC(COCc2ccccc2)C1 Amb10873134 [0,0,0,0,1,0|3,0,0]=4 124 B15R2.617 O=C1CC(COCc2ccccc2)O1 Amb27962753 [0,0,0,0,1,0|3,0,0]=4 125 B17R2.3230 Nc1ccn(CCCOc2ccccc2)n1 Amb19890891 [0,0,0,0,0,1|2,0,1]=4 126 B17R2.3230 Nc1ccn(CCOCc2ccccc2)n1 Amb25859539 [0,0,0,0,0,1|2,0,1]=4 127 B17R2.3230 Nc1cnn(CCOCc2ccccc2)n1 Amb33165933 [0,0,0,0,0,1|3,0,0]=4 128 B17R2.3230 Nc1nc(CCOCc2ccccc2)no1 Amb28245059 [0,0,0,0,0,1|1,0,1]=3 129 B17R2.3230 Nc1ncn(CCOCc2ccccc2)n1 Amb26657257 [0,0,0,0,0,1|2,0,1]=4 130 B17R2.3230 O=C1CC(CCOCc2ccccc2)CN1 Amb27403544 [0,0,0,0,0,1|3,0,0]=4 131 B17R2.5301 O=C1COCC(COCc2ccccc2)N1 Amb27972850 [0,0,0,0,0,1|2,0,1]=4 132 B17R2.5301 O=C1COC[C@H](COCc2ccccc2)N1 Amb27255359 [0,0,0,0,0,1|2,0,1]=4 133 B14R1.520 COCC(N)CCCc1ccccc1 Amb19062066 [1,0,1,0,0,0|0,0,2]=4 134 B14R1.520 COCC(O)CCCc1ccccc1 Amb18324748 [1,0,1,0,0,0|1,0,1]=4 135 B14R1.422 N=C(N)NCCCCc1ccccc1 Amb32412066 [1,0,1,0,0,0|1,0,1]=4 136 B14R1.422 NC(N)=NCCNCc1ccccc1 Amb26938735 [1,0,1,0,0,0|2,0,0]=4 137 B14R1.422 O=C(O)CCCCCc1ccccc1 Amb6357124 [1,0,1,0,0,0|2,0,0]=4 138 B14R1.546 C=CC(CO)COCc1ccccc1 Amb28409925 [1,0,1,0,0,0|2,0,0]=4 139 B16R1.610 CN(CCCCC(=N)N)Cc1ccccc1 Amb27588703 [0,1,1,0,0,0|2,0,0]=4 140 B16R1.610 CN(CCCNC(=N)N)Cc1ccccc1 Amb11198584 [0,1,1,0,0,0|2,0,0]=4 141 B16R2.137 O=C1NC(CCc2ccc(Br)cc2)CO1 Amb33334086 [0,1,0,0,1,0|1,0,1]=4 142 B16R2.137 O=C1NC(CCc2ccc(F)cc2)CO1 Amb33319343 [0,1,0,0,1,0|1,0,1]=4 143 B16R2.258 O=C1NC(CCc2cccc(Br)c2)CO1 Amb33433767 [0,1,0,0,1,0|1,0,1]=4 144 B16R2.2334 NCc1nc(CCc2ccccc2)no1 Amb19015873 [0,1,0,0,1,0|1,0,1]=4 145 B18R2.2741 NCc1nc(CCOCc2ccccc2)no1 Amb27785782 [0,1,0,0,0,1|1,0,1]=4 146 B16R2.36 N=C(N)NCCN1CCc2ccccc21 Amb18567097 [0,0,1,1,0,0|2,0,0]=4 147 B16R2.464 N=C(N)C1CCCN1Cc2ccccc2 Amb22802120 [0,0,1,1,0,0|2,0,0]=4 148 B16R2.3281 O=C1CCCCCC(c2ccccc2)N1 Amb32862494 [0,0,1,1,0,0|2,0,0]=4 149 B16R2.179941 N=C(N)CCN1CCCc2ccccc21 Amb6278274 [0,0,1,1,0,0|2,0,0]=4 150 B16R2.185 [N-]=[N+]=NC(CO)C1CCc2ccccc21 Amb33145099 [0,0,1,1,0,0|1,0,1]=4 151 B16R2.520 CC(CC(=O)O)C1CCc2ccccc21 Amb33146113 [0,0,1,1,0,0|2,0,0]=4 152 B16R3.335 O=C1C[C@@H]2CCc3ccccc3[C@H]2O1 Amb28463677 [0,0,0,1,1,0|2,0,0]=4 153 B16R3.335 [C@@H]12CCc3ccccc3[C@@H]1OC(=O)C2 Amb17778862 [0,0,0,1,1,0|2,0,0]=4 154 B16R3.2022 Nc1nc(C2Cc3ccccc32)no1 Amb27417622 [0,0,0,1,1,0|1,0,1]=4 155 B16R3.10764 O=C1NC2(CCc3ccccc32)CO1 Amb27391879 [0,0,0,1,1,0|1,0,1]=4 156 B16R3.258 NC1CCC12CCCc3ccccc32 Amb26631685 [0,0,0,1,1,0|1,0,1]=4 157 B16R3.258 O=C1CCC12CCCc3ccccc32 Amb17594836 [0,0,0,1,1,0|2,0,0]=4 158 B16R3.2302 O=C1NC2c3ccccc3CCCC12 Amb26311699 [0,0,0,1,1,0|2,0,0]=4 159 B16R3.2302 O=C1N[C@H]2c3ccccc3CCC[C@@H]12 Amb27841112 [0,0,0,1,1,0|2,0,0]=4 160 B16R3.3385 NC1CCC1C2CC2c3ccccc3 Amb27410133 [0,0,0,1,1,0|1,0,1]=4 161 B18R3.2910 Nc1nc(C2CCCc3ccccc32)no1 Amb32941951 [0,0,0,1,0,1|1,0,1]=4 162 B18R3.2910 O=C1NC(C2CCCc3ccccc32)CO1 Amb33379981 [0,0,0,1,0,1|1,0,1]=4 163 B14R1.716 COC(=N)CCOCc1ccccc1 Amb27444424 [0,0,1,0,1,0|1,0,1]=4 164 B14R1.716 COC(=O)CCCCc1ccccc1 Amb8392132 [0,0,1,0,1,0|1,0,0]=3 165 B14R1.716 COC(=O)CCCCc1ccccn1 Amb24113266 [0,0,1,0,1,0|2,0,0]=4 166 B14R1.716 COC(=O)CCCSc1ccccc1 Amb8950459 [0,0,1,0,1,0|2,0,0]=4 167 B14R1.716 COC(=O)CCNCc1ccccc1 Amb288483 [0,0,1,0,1,0|2,0,0]=4 168 B14R1.716 COC(=O)CCNCc1ccccc1 Amb996333 [0,0,1,0,1,0|2,0,0]=4 169 B14R1.716 COC(=O)CCOCc1ccccc1 Amb7773811 [0,0,1,0,1,0|2,0,0]=4 170 B14R1.716 COC(=O)CNCCc1ccccc1 Amb6686977 [0,0,1,0,1,0|2,0,0]=4 171 B14R1.818 CC(CCc1ccccc1)CC(=O)O Amb6749216 [0,0,1,0,1,0|2,0,0]=4 172 B14R1.818 CC(CCc1ccccc1)NC(=N)N Amb19073485 [0,0,1,0,1,0|1,0,1]=4 173 B14R1.6449 CC(CCCc1ccccc1)C(=O)O Amb17235376 [0,0,1,0,1,0|1,0,0]=3 174 B14R1.6449 CC(CCOc1ccccc1)C(=O)O Amb17235913 [0,0,1,0,1,0|2,0,0]=4 175 B14R1.6449 CC(CNCc1ccccc1)C(=O)O Amb20623866 [0,0,1,0,1,0|2,0,0]=4 176 B14R1.6449 CC(CNCc1ccccc1)C(=O)O Amb9400318 [0,0,1,0,1,0|2,0,0]=4 177 B14R1.6449 CC(COCc1ccccc1)C(=O)O Amb9399793 [0,0,1,0,1,0|2,0,0]=4 178 B14R1.6449 CC(COCc1ccccc1)C(N)=O Amb26620812 [0,0,1,0,1,0|1,0,1]=4 179 B14R1.6449 CC(CSCc1ccccc1)C(=O)O Amb9400039 [0,0,1,0,1,0|2,0,0]=4 180 B14R1.6449 CC(OCCc1ccccc1)C(=O)O Amb7790062 [0,0,1,0,1,0|2,0,0]=4 181 B14R1.6449 C[C@H](COCc1ccccc1)C(N)=O Amb27814268 [0,0,1,0,1,0|1,0,1]=4 182 B14R1.6449 NC(CCCc1ccccc1)C(=O)O Amb19342362 [0,0,1,0,1,0|2,0,0]=4 183 B14R1.6449 NC(CCCc1ccccc1)C(=O)O Amb9726682 [0,0,1,0,1,0|2,0,0]=4 184 B14R1.6449 N[C@@H](CCCc1ccccc1)C(=O)O Amb20241024 [0,0,1,0,1,0|2,0,0]=4 185 B14R1.6449 N[C@H](CCCc1ccccc1)C(=O)O Amb6295896 [0,0,1,0,1,0|2,0,0]=4 186 B14R2.101 c1ccc(CCc2ncon2)cc1 Amb27951724 [1,0,0,0,1,0|1,0,1]=4 187 B14R2.3019 c1ccc(CCCC2CNC2)cc1 Amb32952377 [1,0,0,0,1,0|1,0,1]=4 188 B14R2.3019 c1ccc(COCC2COC2)cc1 Amb22899980 [1,0,0,0,1,0|1,0,1]=4 189 B14R2.19 CC1=NC(Cc2ccccc2)CO1 Amb26964500 [0,0,0,0,2,0|1,0,0]=3 190 B14R2.19 NC1=NC(Cc2ccccc2)CO1 Amb23449444 [0,0,0,0,2,0|0,0,0]=2 191 B14R2.19 NC1=NC(Cc2ccccc2)CS1 Amb27400638 [0,0,0,0,2,0|0,1,0]=3 192 B14R2.19 NC1=NCC(Cc2ccccc2)N1 Amb27800741 [0,0,0,0,2,0|1,0,1]=4 193 B14R2.19 NC1=N[C@H](Cc2ccccc2)CO1 Amb27464486 [0,0,0,0,2,0|0,0,0]=2 194 B14R2.19 Nc1nc(Cc2ccccc2)co1 Amb22499416 [0,0,0,0,2,0|0,0,2]=4 195 B14R2.19 O=C1CC(Cc2ccccc2)CO1 Amb8487117 [0,0,0,0,2,0|2,0,0]=4 196 B14R2.19 O=C1NC(Cc2ccccc2)CO1 Amb9809273 [0,0,0,0,2,0|1,0,1]=4 197 B14R2.19 O=C1N[C@@H](Cc2ccccc2)CO1 Amb2725669 [0,0,0,0,2,0|1,0,1]=4 198 B14R2.19 O=C1N[C@H](Cc2ccccc2)CO1 Amb6357181 [0,0,0,0,2,0|1,0,1]=4 199 B14R2.19 S=C1NC(Cc2ccccc2)CO1 Amb25938312 [0,0,0,0,2,0|1,0,1]=4 200 B14R2.19 S=C1N[C@@H](Cc2ccccc2)CO1 Amb8629174 [0,0,0,0,2,0|1,0,1]=4 201 B14R2.19 S=C1N[C@H](Cc2ccccc2)CO1 Amb8629175 [0,0,0,0,2,0|1,0,1]=4 202 B14R2.436 NC1CC(CCc2ccccc2)C1 Amb27415257 [0,0,0,0,2,0|1,0,1]=4 203 B14R2.436 O=C1CC(CCc2ccccc2)C1 Amb27235487 [0,0,0,0,2,0|2,0,0]=4 204 B14R2.436 O=C1C[C@@H](CCc2ccccc2)N1 Amb27413661 [0,0,0,0,2,0|1,0,1]=4 205 B14R2.436 O=C1C[C@H](CCc2ccccc2)N1 Amb27206618 [0,0,0,0,2,0|1,0,1]=4 206 B14R2.49 NC1CC1CCOc2ccccc2 Amb33080513 [0,0,0,0,2,0|1,0,1]=4 207 B14R2.49 N[C@@H]1C[C@H]1CCOc2ccccc2 Amb33080511 [0,0,0,0,2,0|1,0,1]=4 208 B16R1.596 N=C(N)CCCCCOCc1ccccc1 Amb27227771 [0,0,1,0,0,1|1,0,0]=3 209 B16R2.2257 C1=CC(CCNCc2ccccc2)CC1 Amb28251220 [1,0,0,0,0,1|2,0,0]=4 210 B16R2.2257 c1ccc(CNCCc2ncon2)cc1 Amb27634803 [1,0,0,0,0,1|1,0,1]=4