0 B15R1.311 CC(C)(CO)SCC(=O)c1ccccc1 Amb32682785 [0,0,0,0,0,0|1,0,2]=3 1 B15R1.311 CC(CNC(C)(C)CO)c1ccccc1 Amb6735517 [0,0,0,0,0,0|1,0,0]=1 2 B14R1.163 CC(CN[C@@H](C)CO)c1ccccc1 Amb32652678 [1,0,0,0,0,0|1,0,0]=2 3 B14R1.163 CC(CN[C@@H](C)CO)c1ccccc1 Amb32653084 [1,0,0,0,0,0|1,0,0]=2 4 B14R1.163 CC(CO)NCC(C)c1ccccc1 Amb32666287 [1,0,0,0,0,0|1,0,0]=2 5 B14R1.163 CC(CO)NCC(C)c1ccccc1 Amb9359648 [1,0,0,0,0,0|1,0,0]=2 6 B14R1.163 CC(CO)NCC(O)c1ccccc1 Amb19052327 [1,0,0,0,0,0|0,0,0]=1 7 B14R1.163 CC(CO)SCC(=O)c1ccccc1 Amb32682804 [1,0,0,0,0,0|1,0,2]=4 8 B14R1.163 CCC(=O)NCC(O)c1ccccc1 Amb4035680 [1,0,0,0,0,0|2,0,1]=4 9 B14R1.163 CCC(C)NCC(C)c1ccccc1 Amb2119579 [1,0,0,0,0,0|2,0,0]=3 10 B14R1.163 CCC(C)NCC(C)c1ccccc1 Amb6729200 [1,0,0,0,0,0|2,0,0]=3 11 B14R1.163 O=C(CBr)NCC(O)c1ccccc1 Amb17332028 [1,0,0,0,0,0|2,0,1]=4 12 B14R1.163 O=C(CCl)NCC(O)c1ccccc1 Amb17326215 [1,0,0,0,0,0|2,0,1]=4 13 B14R1.292 CC(C)(C#N)CCCc1ccccc1 Amb17442056 [1,0,0,0,0,0|2,0,1]=4 14 B14R1.292 CC(C)(C#N)NCCc1ccccc1 Amb17044928 [1,0,0,0,0,0|1,0,1]=3 15 B14R1.292 CC(C)(C=C=Cc1ccccc1)CO Amb27486552 [1,0,0,0,0,0|1,0,2]=4 16 B14R1.292 CC(C)(CBr)COCc1ccccc1 Amb27251270 [1,0,0,0,0,0|3,0,0]=4 17 B14R1.292 CC(C)(CBr)OCCc1ccccc1 Amb33348270 [1,0,0,0,0,0|2,0,0]=3 18 B14R1.292 CC(C)(CCl)CNCc1ccccc1 Amb28254010 [1,0,0,0,0,0|3,0,0]=4 19 B14R1.292 CC(C)(CCl)COCc1ccccc1 Amb25864592 [1,0,0,0,0,0|3,0,0]=4 20 B14R1.292 CC(C)(CF)CNCc1ccccc1 Amb27607191 [1,0,0,0,0,0|3,0,0]=4 21 B14R1.292 CC(C)(CI)OCCc1ccccc1 Amb33348440 [1,0,0,0,0,0|2,0,0]=3 22 B14R1.292 CC(C)(CN)CCCc1ccccc1 Amb17442137 [1,0,0,0,0,0|2,0,0]=3 23 B14R1.292 CC(C)(CN)CCCc1ccccc1 Amb19515193 [1,0,0,0,0,0|2,0,0]=3 24 B14R1.292 CC(C)(CO)COCc1ccccc1 Amb28381793 [1,0,0,0,0,0|2,0,0]=3 25 B14R1.292 CC(C)(CO)C\C=C\c1ccccc1 Amb32954286 [1,0,0,0,0,0|1,0,2]=4 26 B14R1.292 CC(C)(CO)NCCc1ccccc1 Amb6735335 [1,0,0,0,0,0|0,0,0]=1 27 B14R1.292 CC(C)(\C=N\Cc1ccccc1)CCl Amb24381489 [1,0,0,0,0,0|3,0,0]=4 28 B14R1.292 CC(O)(CO)CNCc1ccccc1 Amb27250131 [1,0,0,0,0,0|3,0,0]=4 29 B14R1.292 CCC(C)(C)NCCc1ccccc1 Amb876022 [1,0,0,0,0,0|1,0,0]=2 30 B14R1.3098 CC(C)(C)C#CC(O)c1ccccc1 Amb27660791 [1,0,0,0,0,0|1,0,1]=3 31 B14R1.3098 CC(C)(C)NCC(O)c1ccccc1 Amb17139415 [1,0,0,0,0,0|0,0,0]=1 32 B14R1.3098 CC(C)(C)NCC(O)c1ccccn1 Amb17139506 [1,0,0,0,0,0|1,0,0]=2 33 B14R1.3098 CC(C)(C)NCC(O)c1cccnc1 Amb17139507 [1,0,0,0,0,0|1,0,0]=2 34 B14R1.3098 CC(C)(C)NCC(O)c1ccncc1 Amb17139508 [1,0,0,0,0,0|1,0,0]=2 35 B14R1.3098 CC(C)(C)SCC(=O)c1ccccc1 Amb4165989 [1,0,0,0,0,0|1,0,2]=4 36 B14R1.3098 CC(C)(C)\C=C\[C@@H](O)c1ccccc1 Amb27604269 [1,0,0,0,0,0|1,0,1]=3 37 B14R1.3098 CC(C)(O)C#C[C@H](O)c1ccccc1 Amb27476389 [1,0,0,0,0,0|1,0,1]=3 38 B14R1.3098 CC(CCC(C)(C)N)c1ccccc1 Amb33081837 [1,0,0,0,0,0|3,0,0]=4 39 B14R1.3098 CC(NCC(C)(C)C)c1ccccc1 Amb17235205 [1,0,0,0,0,0|3,0,0]=4 40 B14R1.3098 CC(NCC(C)(C)O)c1ccccc1 Amb17139423 [1,0,0,0,0,0|3,0,0]=4 41 B14R1.3098 CS(=O)(=O)NCC(O)c1ccccc1 Amb9362799 [1,0,0,0,0,0|2,0,1]=4 42 B14R1.3098 C[Si](C)(C)C#CC(O)c1ccccc1 Amb16231113 [1,0,0,0,0,0|1,1,1]=4 43 B16R1.335 Cc1ccc(C(O)CNC(C)(C)CO)cc1 Amb18604610 [0,1,0,0,0,0|0,0,0]=1 44 B16R1.336 CC(C)(CO)NCC(O)c1cccc(Cl)c1 Amb17602598 [0,1,0,0,0,0|0,0,0]=1 45 B16R1.336 CC(C)(CO)NCC(O)c1cccc(F)c1 Amb32666934 [0,1,0,0,0,0|0,0,0]=1 46 B16R1.336 CCC(C)(C)NCC(O)c1cccc(C)c1 Amb32696398 [0,1,0,0,0,0|1,0,0]=2 47 B16R1.347 CC(NC(C)(C)CO)C(O)c1ccccc1 Amb18604547 [0,1,0,0,0,0|0,0,0]=1 48 B16R2.6016 CCC1(C)CNC(c2ccccc2)CO1 Amb32416528 [0,0,0,1,0,0|3,0,0]=4 49 B16R2.13708 CC1(C)C=CC(O)(c2ccccc2)CC1 Amb32865027 [0,0,0,1,0,0|2,0,1]=4 50 B16R2.13708 CC1(C)CCC(O)(c2ccccc2)CC1 Amb32669892 [0,0,0,1,0,0|2,0,0]=3 51 B16R2.13708 CC1(C)COC(C)(c2ccccc2)CN1 Amb5751139 [0,0,0,1,0,0|1,0,0]=2 52 B16R2.13708 CC1(C)OCC(O)(c2ccccc2)CO1 Amb32669853 [0,0,0,1,0,0|3,0,0]=4 53 B14R1.290 C#CC(C)(C)CC(O)c1ccccc1 Amb27486535 [0,0,0,0,1,0|1,0,1]=3 54 B14R1.290 CC(C)(CBr)NC(=O)c1ccccc1 Amb27757736 [0,0,0,0,1,0|1,0,2]=4 55 B14R1.290 CC(C)(CN)NC(=O)c1ccccc1 Amb2606123 [0,0,0,0,1,0|1,0,2]=4 56 B14R1.290 CC(C)(CO)CN(N)c1ccccc1 Amb28500660 [0,0,0,0,1,0|2,0,0]=3 57 B14R1.290 CC(C)(CO)NC(=O)c1ccccc1 Amb6358978 [0,0,0,0,1,0|0,0,2]=3 58 B14R1.290 CC(C)(CO)NC(=O)c1cccnc1 Amb9243974 [0,0,0,0,1,0|1,0,2]=4 59 B14R1.290 CC(C)(CO)NC(=O)c1ccncc1 Amb2444112 [0,0,0,0,1,0|1,0,2]=4 60 B14R1.290 CC(CC(C)(C)C#N)c1ccccc1 Amb26549703 [0,0,0,0,1,0|2,0,1]=4 61 B14R1.290 CC(CC(C)(C)CBr)c1ccccc1 Amb33081915 [0,0,0,0,1,0|2,0,0]=3 62 B14R1.290 CC(CC(C)(C)CN)c1ccccc1 Amb33082335 [0,0,0,0,1,0|2,0,0]=3 63 B14R1.290 CC(CC(C)(C)CO)c1ccccc1 Amb33081917 [0,0,0,0,1,0|1,0,0]=2 64 B14R1.290 CC(CC(C)(N)CO)c1ccccc1 Amb33081894 [0,0,0,0,1,0|2,0,0]=3 65 B14R1.290 CC(NC(C)(C)C#N)c1ccccc1 Amb17401222 [0,0,0,0,1,0|2,0,1]=4 66 B14R1.290 CC(NC(C)(C)CN)c1ccccc1 Amb19319359 [0,0,0,0,1,0|2,0,0]=3 67 B14R1.290 CC(OC(C)(C)CBr)c1ccccc1 Amb33348269 [0,0,0,0,1,0|3,0,0]=4 68 B14R1.290 CC(OC(C)(C)CI)c1ccccc1 Amb33348439 [0,0,0,0,1,0|3,0,0]=4 69 B14R1.290 CN(CC(C)(C)CN)c1ccccc1 Amb17336531 [0,0,0,0,1,0|3,0,0]=4 70 B14R1.290 CN(CC(C)(C)CO)c1ccccc1 Amb17336755 [0,0,0,0,1,0|2,0,0]=3 71 B14R1.290 CNC(C)(C)CC(C)c1ccccc1 Amb33224077 [0,0,0,0,1,0|3,0,0]=4 72 B13R1.24 C#CCNCC(O)c1ccccc1 Amb5262817 [2,0,0,0,0,0|1,0,1]=4 73 B13R1.24 CC(CNCCO)c1ccccc1 Amb1851160 [2,0,0,0,0,0|1,0,0]=3 74 B13R1.24 CCCCCC(O)c1ccccc1 Amb9619574 [2,0,0,0,0,0|2,0,0]=4 75 B13R1.24 CCCNCC(C)c1ccccc1 Amb2119487 [2,0,0,0,0,0|2,0,0]=4 76 B13R1.24 CCCNCC(C)c1ccccc1 Amb6719090 [2,0,0,0,0,0|2,0,0]=4 77 B13R1.24 OCCC#CC(O)c1ccccc1 Amb27826420 [2,0,0,0,0,0|1,0,1]=4 78 B13R1.24 OCCNCC(O)c1ccccc1 Amb9242094 [2,0,0,0,0,0|0,0,0]=2 79 B13R1.24 OCCNCC(O)c1cccnc1 Amb30623419 [2,0,0,0,0,0|1,0,0]=3 80 B13R1.45 CC(=O)NCC(O)c1ccccc1 Amb9244841 [2,0,0,0,0,0|0,0,2]=4 81 B13R1.45 CC(=O)NC[C@H](O)c1ccccc1 Amb27427139 [2,0,0,0,0,0|0,0,2]=4 82 B13R1.45 CC(C)=CCC(O)c1ccccc1 Amb27945977 [2,0,0,0,0,0|1,0,1]=4 83 B13R1.45 CC(C)=CC[C@H](O)c1ccccc1 Amb27757376 [2,0,0,0,0,0|1,0,1]=4 84 B13R1.45 CC(C)CCC(N)c1ccccc1 Amb35745830 [2,0,0,0,0,0|2,0,0]=4 85 B13R1.45 CC(C)CCC(N)c1ccccc1 Amb6744642 [2,0,0,0,0,0|2,0,0]=4 86 B13R1.45 CC(C)NCC(=O)c1ccccc1 Amb6357665 [2,0,0,0,0,0|0,0,2]=4 87 B13R1.45 CC(C)NCC(C)c1ccccc1 Amb2119052 [2,0,0,0,0,0|1,0,0]=3 88 B13R1.45 CC(C)NCC(C)c1ccccc1 Amb6729184 [2,0,0,0,0,0|1,0,0]=3 89 B13R1.45 CC(C)NCC(N)c1ccccc1 Amb18305273 [2,0,0,0,0,0|1,0,0]=3 90 B13R1.45 CC(C)NCC(O)c1ccccc1 Amb2612899 [2,0,0,0,0,0|0,0,0]=2 91 B13R1.45 CC(C)NCC(O)c1ccccn1 Amb17138984 [2,0,0,0,0,0|1,0,0]=3 92 B13R1.45 CC(C)NCC(O)c1cccnc1 Amb17138985 [2,0,0,0,0,0|1,0,0]=3 93 B13R1.45 CC(C)NCC(O)c1ccncc1 Amb17138987 [2,0,0,0,0,0|1,0,0]=3 94 B13R1.45 CC(C)OC[C@@H](N)c1ccccc1 Amb17061653 [2,0,0,0,0,0|2,0,0]=4 95 B13R1.45 CC(CC[C@@H](C)O)c1ccccc1 Amb33081845 [2,0,0,0,0,0|2,0,0]=4 96 B13R1.45 CC(CC[C@H](C)O)c1ccccc1 Amb33081839 [2,0,0,0,0,0|2,0,0]=4 97 B13R1.45 CC(O)CCC(C)c1ccccc1 Amb33081451 [2,0,0,0,0,0|2,0,0]=4 98 B13R1.45 CN(C)CCC(O)c1ccccc1 Amb671497 [2,0,0,0,0,0|2,0,0]=4 99 B13R1.45 C[C@@H](O)C#CC(O)c1ccccc1 Amb27766552 [2,0,0,0,0,0|1,0,1]=4 100 B13R1.45 C[C@H](O)\C=C\[C@H](O)c1ccccc1 Amb27443560 [2,0,0,0,0,0|1,0,1]=4 101 B13R1.718 CC(C#N)NCCc1ccccc1 Amb17044875 [2,0,0,0,0,0|1,0,1]=4 102 B13R1.718 CC(CN)NOCc1ccccc1 Amb27250279 [2,0,0,0,0,0|2,0,0]=4 103 B13R1.718 CC(CO)CNCc1ccccc1 Amb10608716 [2,0,0,0,0,0|2,0,0]=4 104 B13R1.718 CC(CO)CNCc1ccccc1 Amb17622503 [2,0,0,0,0,0|2,0,0]=4 105 B13R1.718 CC(CO)NCCc1ccccc1 Amb9359843 [2,0,0,0,0,0|0,0,0]=2 106 B13R1.718 CC(CO)OCCc1ccccc1 Amb28920670 [2,0,0,0,0,0|1,0,0]=3 107 B13R1.718 CCC(C)NCCc1ccccc1 Amb2119578 [2,0,0,0,0,0|1,0,0]=3 108 B13R1.718 CCC(C)NCCc1ccccc1 Amb2612139 [2,0,0,0,0,0|1,0,0]=3 109 B13R1.718 CCC(C)NCCc1ccccn1 Amb6694509 [2,0,0,0,0,0|2,0,0]=4 110 B13R1.718 C[C@@H](CO)COCc1ccccc1 Amb25760795 [2,0,0,0,0,0|2,0,0]=4 111 B13R1.718 C[C@H](CO)CNCc1ccccc1 Amb27426885 [2,0,0,0,0,0|2,0,0]=4 112 B13R1.718 C[C@H](CO)COCc1ccccc1 Amb25291124 [2,0,0,0,0,0|2,0,0]=4 113 B13R1.718 O=C(CO)NCCc1ccccc1 Amb1111400 [2,0,0,0,0,0|1,0,1]=4 114 B13R1.718 OCC(O)CCCc1ccccc1 Amb33129313 [2,0,0,0,0,0|2,0,0]=4 115 B13R1.3523 CC(C)(C)CNCc1ccccc1 Amb18538505 [2,0,0,0,0,0|2,0,0]=4 116 B13R1.3523 CC(C)(C)NCCc1ccccc1 Amb1139342 [2,0,0,0,0,0|0,0,0]=2 117 B13R1.3523 CC(C)(C)NCCc1ccncc1 Amb9174081 [2,0,0,0,0,0|1,0,0]=3 118 B13R1.3523 CC(C)(N)CCCc1ccccc1 Amb17400637 [2,0,0,0,0,0|2,0,0]=4 119 B13R1.3523 CC(C)(O)C#CCc1ccccc1 Amb27608943 [2,0,0,0,0,0|1,0,1]=4 120 B13R1.3523 CC(C)(O)CCCc1ccccc1 Amb17400670 [2,0,0,0,0,0|1,0,0]=3 121 B13R1.3523 CC(C)(O)CCOc1ccccc1 Amb32954570 [2,0,0,0,0,0|2,0,0]=4 122 B13R1.3523 CC(C)(O)CNCc1ccccc1 Amb8630678 [2,0,0,0,0,0|2,0,0]=4 123 B15R1.133 CCC(C)NCC(O)c1cccc(C)c1 Amb17140202 [1,1,0,0,0,0|1,0,0]=3 124 B15R1.133 Cc1cccc(C(O)CNC(C)CO)c1 Amb32696403 [1,1,0,0,0,0|0,0,0]=2 125 B15R1.500 CC(NCC(C)c1ccccc1)C(=O)O Amb32455434 [1,1,0,0,0,0|1,0,1]=4 126 B15R1.652 CCC(CC)NCC(C)c1ccccc1 Amb6728396 [1,1,0,0,0,0|2,0,0]=4 127 B15R1.652 CCC(CO)NCC(C)c1ccccc1 Amb6735231 [1,1,0,0,0,0|1,0,0]=3 128 B15R1.950 CCC(C)NC(C)C(O)c1ccccc1 Amb18092959 [1,1,0,0,0,0|1,0,0]=3 129 B15R1.8 CC(C)(C#N)NCCc1ccc(Cl)cc1 Amb17044937 [1,1,0,0,0,0|1,0,1]=4 130 B15R1.8 CC(C)(C#N)NCCc1ccc(F)cc1 Amb17044930 [1,1,0,0,0,0|1,0,1]=4 131 B15R1.8 CC(C)(CBr)CCCc1ccc(F)cc1 Amb33006304 [1,1,0,0,0,0|2,0,0]=4 132 B15R1.8 CC(C)(CN)CCCc1ccc(Br)cc1 Amb33006275 [1,1,0,0,0,0|2,0,0]=4 133 B15R1.8 CC(C)(CN)CCCc1ccc(F)cc1 Amb33319698 [1,1,0,0,0,0|2,0,0]=4 134 B15R1.8 CC(C)(CO)CCCc1ccc(Br)cc1 Amb33006007 [1,1,0,0,0,0|1,0,0]=3 135 B15R1.8 CC(C)(CO)CCCc1ccc(F)cc1 Amb33319352 [1,1,0,0,0,0|1,0,0]=3 136 B15R1.8 CC(C)(CO)NCCc1ccc(N)cc1 Amb18550369 [1,1,0,0,0,0|0,0,0]=2 137 B15R1.8 CC(N)(CO)CCCc1ccc(Br)cc1 Amb33006041 [1,1,0,0,0,0|2,0,0]=4 138 B15R1.8 CC(N)(CO)CCCc1ccc(F)cc1 Amb33319625 [1,1,0,0,0,0|2,0,0]=4 139 B15R1.301 CC(C)(C#N)NCCc1cccc(Cl)c1 Amb17044948 [1,1,0,0,0,0|1,0,1]=4 140 B15R1.301 CC(C)(CN)CCCc1cccc(Br)c1 Amb33006661 [1,1,0,0,0,0|2,0,0]=4 141 B15R1.301 CC(C)(CO)CCCc1cccc(Br)c1 Amb33006675 [1,1,0,0,0,0|1,0,0]=3 142 B15R1.301 CC(C)(CO)CCOc1cccc(F)c1 Amb33417071 [1,1,0,0,0,0|2,0,0]=4 143 B15R1.301 CC(C)(CO)NCCc1cccc(N)c1 Amb18051009 [1,1,0,0,0,0|0,0,0]=2 144 B15R1.301 CC(N)(CO)CCCc1cccc(Br)c1 Amb33006679 [1,1,0,0,0,0|2,0,0]=4 145 B15R1.339 CC(C)(CN)NC(=O)Cc1ccccc1 Amb18112759 [1,1,0,0,0,0|1,0,1]=4 146 B15R1.339 CC(C)(CO)NC(=O)Cc1ccccc1 Amb9243989 [1,1,0,0,0,0|0,0,1]=3 147 B15R1.339 CC(C)(CO)NC(=O)Nc1ccccc1 Amb2541040 [1,1,0,0,0,0|1,0,1]=4 148 B15R1.348 CC(C)(CO)C(=O)OCc1ccccc1 Amb24184042 [1,1,0,0,0,0|2,0,0]=4 149 B15R1.3091 CC(CCl)(CBr)OCCc1ccccc1 Amb33348754 [1,1,0,0,0,0|2,0,0]=4 150 B15R1.3091 CC(CCl)(CI)OCCc1ccccc1 Amb33349123 [1,1,0,0,0,0|2,0,0]=4 151 B15R1.3091 CCC(C)(CO)COCc1ccccc1 Amb28041079 [1,1,0,0,0,0|2,0,0]=4 152 B15R1.3091 NC(CO)(CO)CCCc1ccccc1 Amb33129316 [1,1,0,0,0,0|2,0,0]=4 153 B15R1.3091 NCC(O)(CO)CCCc1ccccc1 Amb33129315 [1,1,0,0,0,0|2,0,0]=4 154 B15R1.7696 CC(C)(C#N)NCCc1ccccc1F Amb17044929 [1,1,0,0,0,0|1,0,1]=4 155 B15R1.9012 CC(C)(CCCc1ccccc1)C(=O)O Amb33531413 [1,1,0,0,0,0|1,0,1]=4 156 B15R1.9539 CC(C)(CCO)CNCc1ccccc1 Amb27981415 [1,1,0,0,0,0|2,0,0]=4 157 B15R1.9539 COCC(C)(C)CCNc1ccccc1 Amb33133328 [1,1,0,0,0,0|2,0,0]=4 158 B15R1.892 CC(C)(C)NCC(=O)c1ccc(N)cc1 Amb17595524 [1,1,0,0,0,0|0,0,2]=4 159 B15R1.892 CC(C)(C)NCC(O)c1ccc(Br)cc1 Amb17167540 [1,1,0,0,0,0|0,0,0]=2 160 B15R1.892 CC(C)(C)NCC(O)c1ccc(Cl)cc1 Amb17142392 [1,1,0,0,0,0|0,0,0]=2 161 B15R1.892 CC(C)(C)NCC(O)c1ccc(F)cc1 Amb17140619 [1,1,0,0,0,0|0,0,0]=2 162 B15R1.892 CC(C)(C)NCC(O)c1ccc(N)cc1 Amb18656315 [1,1,0,0,0,0|0,0,0]=2 163 B15R1.892 Cc1ccc(C(O)CNC(C)(C)C)cc1 Amb17140231 [1,1,0,0,0,0|0,0,0]=2 164 B15R1.3977 CC(C)(C)NC(=O)C(Br)c1ccccc1 Amb2781067 [1,1,0,0,0,0|1,0,1]=4 165 B15R1.3977 CC(C)(C)NC(=O)C(Cl)c1ccccc1 Amb9202434 [1,1,0,0,0,0|1,0,1]=4 166 B15R1.3977 CC(C)(C)NC(=O)C(O)c1ccccc1 Amb17403468 [1,1,0,0,0,0|0,0,1]=3 167 B15R1.3977 CC(C)(C)NC(=O)C(O)c1ccccn1 Amb17595585 [1,1,0,0,0,0|1,0,1]=4 168 B15R1.3977 CC(C)(C)NC(=O)[C@@H](N)c1ccccc1 Amb5784718 [1,1,0,0,0,0|1,0,1]=4 169 B15R1.3977 CC(NC(C)(C)C)C(O)c1ccccc1 Amb18604510 [1,1,0,0,0,0|0,0,0]=2 170 B15R1.8018 CC(C)(C)NCC(O)c1ccccc1Cl Amb6296863 [1,1,0,0,0,0|0,0,0]=2 171 B15R1.8018 CC(C)(C)NCC(O)c1ccccc1Cl Amb8628377 [1,1,0,0,0,0|0,0,0]=2 172 B15R1.8018 CC(C)(C)NCC(O)c1ccccc1F Amb17140618 [1,1,0,0,0,0|0,0,0]=2 173 B15R1.8018 CC(C)(C)NC[C@H](O)c1ccccc1Cl Amb8389242 [1,1,0,0,0,0|0,0,0]=2 174 B15R1.8018 Cc1ccccc1C(O)CNC(C)(C)C Amb17140229 [1,1,0,0,0,0|0,0,0]=2 175 B15R1.8277 CC(C)(C)NCC(=O)c1cccc(N)c1 Amb18550934 [1,1,0,0,0,0|0,0,2]=4 176 B15R1.8277 CC(C)(C)NCC(O)c1cccc(Br)c1 Amb17167539 [1,1,0,0,0,0|0,0,0]=2 177 B15R1.8277 CC(C)(C)NCC(O)c1cccc(Cl)c1 Amb17142391 [1,1,0,0,0,0|0,0,0]=2 178 B15R1.8277 Cc1cccc(C(O)CNC(C)(C)C)c1 Amb17140230 [1,1,0,0,0,0|0,0,0]=2 179 B15R1.23261 CC(C)(C)NCC(C)(O)c1ccccc1 Amb17140214 [1,1,0,0,0,0|0,0,0]=2 180 B15R1.299 CC(C)(CO)NC(=O)c1ccc(Br)cc1 Amb1207134 [0,1,0,0,1,0|0,0,2]=4 181 B15R1.299 CC(C)(CO)NC(=O)c1ccc(Cl)cc1 Amb1018333 [0,1,0,0,1,0|0,0,2]=4 182 B15R1.299 CC(C)(CO)NC(=O)c1ccc(F)cc1 Amb6400066 [0,1,0,0,1,0|0,0,2]=4 183 B15R1.299 CC(CC(C)(C)CBr)c1ccc(F)cc1 Amb33431658 [0,1,0,0,1,0|2,0,0]=4 184 B15R1.299 CC(CC(C)(C)CN)c1ccc(F)cc1 Amb33274191 [0,1,0,0,1,0|2,0,0]=4 185 B15R1.299 CC(CC(C)(C)CO)c1ccc(F)cc1 Amb33273284 [0,1,0,0,1,0|1,0,0]=3 186 B15R1.299 CC(CC(C)(N)CO)c1ccc(F)cc1 Amb33273654 [0,1,0,0,1,0|2,0,0]=4 187 B15R1.299 Cc1ccc(C(=O)NC(C)(C)CO)cc1 Amb9243383 [0,1,0,0,1,0|0,0,2]=4 188 B15R1.300 CC(C)(CO)NC(=O)c1cccc(Br)c1 Amb9243987 [0,1,0,0,1,0|0,0,2]=4 189 B15R1.300 CC(C)(CO)NC(=O)c1cccc(Cl)c1 Amb2585589 [0,1,0,0,1,0|0,0,2]=4 190 B15R1.300 CC(C)(CO)NC(=O)c1cccc(F)c1 Amb9244001 [0,1,0,0,1,0|0,0,2]=4 191 B15R1.300 Cc1cccc(C(=O)NC(C)(C)CO)c1 Amb9244042 [0,1,0,0,1,0|0,0,2]=4 192 B15R1.337 CC(C)(CBr)CC(C)(C)c1ccccc1 Amb33176115 [0,1,0,0,1,0|2,0,0]=4 193 B15R1.337 CC(C)(CBr)CC(F)(F)c1ccccc1 Amb33082955 [0,1,0,0,1,0|2,0,0]=4 194 B15R1.337 CC(C)(CN)CC(C)(C)c1ccccc1 Amb33175844 [0,1,0,0,1,0|2,0,0]=4 195 B15R1.337 CC(C)(CN)CC(F)(F)c1ccccc1 Amb32952078 [0,1,0,0,1,0|2,0,0]=4 196 B15R1.337 CC(C)(CO)CC(C)(C)c1ccccc1 Amb33175857 [0,1,0,0,1,0|1,0,0]=3 197 B15R1.337 CC(C)(CO)CC(F)(F)c1ccccc1 Amb32951254 [0,1,0,0,1,0|1,0,0]=3 198 B15R1.337 CC(C)(CO)NS(=O)(=O)c1ccccc1 Amb2661811 [0,1,0,0,1,0|1,0,1]=4 199 B15R1.337 CC(N)(CO)CC(C)(C)c1ccccc1 Amb33175831 [0,1,0,0,1,0|2,0,0]=4 200 B15R1.337 CC(N)(CO)CC(F)(F)c1ccccc1 Amb33082258 [0,1,0,0,1,0|2,0,0]=4 201 B15R1.7724 CC(C)(CO)NC(=O)c1ccccc1Br Amb9273455 [0,1,0,0,1,0|0,0,2]=4 202 B15R1.7724 CC(C)(CO)NC(=O)c1ccccc1Cl Amb9273400 [0,1,0,0,1,0|0,0,2]=4 203 B15R1.7724 CC(C)(CO)NC(=O)c1ccccc1F Amb2585588 [0,1,0,0,1,0|0,0,2]=4 204 B15R1.7724 Cc1ccccc1C(=O)NC(C)(C)CO Amb9361179 [0,1,0,0,1,0|0,0,2]=4 205 B15R1.9011 CC(CC(C)(C)C(=O)O)c1ccccc1 Amb32954428 [0,1,0,0,1,0|1,0,1]=4 206 B15R1.9011 CC(NC(C)(C)C(=O)O)c1ccccc1 Amb17403512 [0,1,0,0,1,0|1,0,1]=4 207 B15R1.9724 CC(C)(CON)NC(=O)c1ccccc1 Amb17140318 [0,1,0,0,1,0|0,0,2]=4 208 B15R1.10044 CC(C)(CO)NC(C#N)c1ccccc1 Amb17043546 [0,1,0,0,1,0|1,0,0]=3 209 B15R1.10044 CC(C)(CO)NC(C#N)c1ccccn1 Amb17043385 [0,1,0,0,1,0|2,0,0]=4 210 B15R1.10044 CC(C)(CO)NC(C#N)c1cccnc1 Amb17043439 [0,1,0,0,1,0|2,0,0]=4 211 B15R1.10044 CC(C)(CO)NC(C#N)c1ccncc1 Amb17043492 [0,1,0,0,1,0|2,0,0]=4 212 B15R1.320 CC(NC(C)(C)CO)C(O)c1cccs1 Amb18094398 [0,1,0,0,1,0|1,0,0]=3 213 B17R1.4241 COCC(C)(C)CCNC(C)c1ccccc1 Amb33133314 [0,1,0,0,0,1|2,0,0]=4 214 B17R1.392 CC(NC(C)(C)CO)C(=O)c1ccc(N)cc1 Amb18051433 [0,2,0,0,0,0|0,0,2]=4 215 B17R1.392 CC(NC(C)(C)CO)C(O)c1ccc(Cl)cc1 Amb18605035 [0,2,0,0,0,0|0,0,0]=2 216 B17R1.392 CC(NC(C)(C)CO)C(O)c1ccc(F)cc1 Amb18093666 [0,2,0,0,0,0|0,0,0]=2 217 B17R1.392 Cc1ccc(C(O)C(C)NC(C)(C)CO)cc1 Amb18093176 [0,2,0,0,0,0|0,0,0]=2 218 B17R1.10607 CCc1ccc(C(O)CNC(C)(C)CO)cc1 Amb18604818 [0,2,0,0,0,0|0,0,0]=2 219 B17R1.13317 Cc1cc(C(O)CNC(C)(C)CO)ccc1Cl Amb18605417 [0,2,0,0,0,0|0,0,0]=2 220 B17R1.13317 Cc1cc(C(O)CNC(C)(C)CO)ccc1F Amb18606615 [0,2,0,0,0,0|0,0,0]=2 221 B17R1.13317 Cc1ccc(C(O)CNC(C)(C)CO)cc1C Amb18093253 [0,2,0,0,0,0|0,0,0]=2 222 B17R1.90166 CC(C)(CO)NCC(O)c1ccc(Cl)cc1Cl Amb18605216 [0,2,0,0,0,0|0,0,0]=2 223 B17R1.90166 Cc1ccc(C(O)CNC(C)(C)CO)c(C)c1 Amb18093861 [0,2,0,0,0,0|0,0,0]=2 224 B17R1.45822 COc1cccc(C(O)CNC(C)(C)CO)c1 Amb18605963 [0,2,0,0,0,0|0,0,0]=2 225 B17R1.3002 CCC(NC(C)(C)CO)C(O)c1ccccc1 Amb18093018 [0,2,0,0,0,0|0,0,0]=2 226 B15R2.1 FCC1COC(c2ccccc2)CN1 Amb28369719 [1,0,0,1,0,0|1,0,0]=3 227 B15R2.1 NCC1CCC(c2ccccc2)CN1 Amb33275362 [1,0,0,1,0,0|2,0,0]=4 228 B15R2.1 NCC1COC(c2ccccc2)CO1 Amb28185023 [1,0,0,1,0,0|2,0,0]=4 229 B15R2.1 OCC1CCC(c2ccccc2)CC1 Amb9683233 [1,0,0,1,0,0|2,0,0]=4 230 B15R2.1 OCC1CCC(c2ccccc2)CO1 Amb28190338 [1,0,0,1,0,0|2,0,0]=4 231 B15R2.1 OCC1CCC(c2ccccc2)NC1 Amb27227303 [1,0,0,1,0,0|2,0,0]=4 232 B15R2.1 OCC1CNC(c2ccccc2)CN1 Amb17578589 [1,0,0,1,0,0|1,0,0]=3 233 B15R2.1 OCC1CNC(c2ccccc2)CO1 Amb28120045 [1,0,0,1,0,0|2,0,0]=4 234 B15R2.1 OCC1COC(c2ccccc2)CN1 Amb27428914 [1,0,0,1,0,0|0,0,0]=2 235 B15R2.1 OCC1COC(c2ccccc2)CO1 Amb27793288 [1,0,0,1,0,0|1,0,0]=3 236 B15R2.1 OC[C@H]1CC[C@H](c2ccccc2)CC1 Amb25058527 [1,0,0,1,0,0|2,0,0]=4 237 B15R2.1 OC[C@H]1CO[C@H](c2ccccc2)CO1 Amb27250912 [1,0,0,1,0,0|1,0,0]=3 238 B15R2.94 OC1OCC(c2ccccc2)OC1O Amb28069665 [1,0,0,1,0,0|2,0,0]=4 239 B15R2.96 CC1CCC(O)(c2ccccc2)CC1 Amb9675902 [1,0,0,1,0,0|2,0,0]=4 240 B15R2.96 CC1CCC(O)(c2ccccc2)CO1 Amb30011456 [1,0,0,1,0,0|2,0,0]=4 241 B15R2.96 CC1CCC(O)(c2ccccc2)CS1 Amb32669898 [1,0,0,1,0,0|2,0,0]=4 242 B15R2.96 CC1CCC(O)(c2cccnc2)CN1 Amb28058112 [1,0,0,1,0,0|2,0,0]=4 243 B15R2.96 CC1CNC(C)(c2ccccc2)CN1 Amb28124407 [1,0,0,1,0,0|2,0,0]=4 244 B15R2.96 C[C@@H]1CC[C@@](O)(c2ccccc2)CN1 Amb27638710 [1,0,0,1,0,0|1,0,0]=3 245 B15R2.96 C[C@H]1CC[C@](O)(c2ccccc2)CN1 Amb27814286 [1,0,0,1,0,0|1,0,0]=3 246 B15R2.297 CC1CCC(C(O)c2ccccc2)O1 Amb27223787 [1,0,0,1,0,0|2,0,0]=4 247 B15R2.297 CC1CN[C@@H]([C@@H](O)c2ccccc2)C1 Amb28054847 [1,0,0,1,0,0|2,0,0]=4 248 B15R2.297 CC1COC(C(C)c2ccccc2)O1 Amb25037735 [1,0,0,1,0,0|2,0,0]=4 249 B15R2.297 CC1COC(C(O)c2ccccc2)=N1 Amb27486512 [1,0,0,1,0,0|0,0,2]=4 250 B15R2.297 C[C@H]1CN[C@@H]([C@@H](O)c2ccccc2)C1 Amb28141897 [1,0,0,1,0,0|2,0,0]=4 251 B15R2.548 CC1CCOC(c2ccccc2)CN1 Amb26618272 [1,0,0,1,0,0|1,0,0]=3 252 B15R2.1130 CC1CCN1CC(N)c2ccccc2 Amb27409773 [1,0,0,1,0,0|2,0,0]=4 253 B15R2.1130 CC1CCN1CC(O)c2ccccc2 Amb28370155 [1,0,0,1,0,0|1,0,0]=3 254 B15R2.1596 CC(CO)C1CC(c2ccccc2)C1 Amb33740077 [1,0,0,1,0,0|2,0,0]=4 255 B15R2.1596 CC(CO)N1CC(c2ccccc2)C1 Amb27649597 [1,0,0,1,0,0|1,0,0]=3 256 B15R2.1596 C[C@@H](CO)C1CC(c2ccccc2)C1 Amb33746776 [1,0,0,1,0,0|2,0,0]=4 257 B15R2.1596 C[C@@H](CO)N1CC(c2ccccc2)C1 Amb28409539 [1,0,0,1,0,0|1,0,0]=3 258 B15R2.1596 C[C@H](CO)C1CC(c2ccccc2)C1 Amb33749546 [1,0,0,1,0,0|2,0,0]=4 259 B15R2.1596 C[C@H](CO)N1CC(c2ccccc2)C1 Amb27478157 [1,0,0,1,0,0|1,0,0]=3 260 B15R2.4128 CC1(CN)OCC(c2ccccc2)O1 Amb17090179 [1,0,0,1,0,0|2,0,0]=4 261 B15R2.4128 CC1(CO)CCC(c2ccccc2)C1 Amb27431285 [1,0,0,1,0,0|2,0,0]=4 262 B15R2.4128 CC1(CO)CCC(c2ccccn2)O1 Amb27425882 [1,0,0,1,0,0|2,0,0]=4 263 B15R2.4128 CC1(CO)CCC(c2cccnc2)O1 Amb28048607 [1,0,0,1,0,0|2,0,0]=4 264 B15R2.4128 C[C@@]1(CO)CC[C@H](c2ccccc2)C1 Amb27220631 [1,0,0,1,0,0|2,0,0]=4 265 B15R2.6783 CCC1CC(O)(c2ccccc2)CO1 Amb35637419 [1,0,0,1,0,0|2,0,0]=4 266 B15R2.7221 CC1OCC(O)(c2ccccc2)C1C Amb35682470 [1,0,0,1,0,0|2,0,0]=4 267 B15R2.16439 OC(COC1CNC1)c2ccccc2 Amb32941357 [1,0,0,1,0,0|2,0,0]=4 268 B15R2.16439 O[C@@H](COC1CNC1)c2ccccc2 Amb32941618 [1,0,0,1,0,0|2,0,0]=4 269 B15R2.16439 O[C@H](COC1CNC1)c2ccccc2 Amb32941617 [1,0,0,1,0,0|2,0,0]=4 270 B15R2.121270 CC1(CO)CCC(O)c2ccccc21 Amb27164199 [1,0,0,1,0,0|1,0,0]=3 271 B15R2.467 CC1(C)CNC(c2ccccc2)CO1 Amb22491013 [1,0,0,1,0,0|2,0,0]=4 272 B15R2.467 CC1(C)COC(c2ccccc2)CN1 Amb30633630 [1,0,0,1,0,0|0,0,0]=2 273 B15R2.467 CC1(C)COC(c2ccccc2)CN1 Amb5750971 [1,0,0,1,0,0|0,0,0]=2 274 B15R2.467 CC1(C)COC(c2ccccc2)OC1 Amb28134340 [1,0,0,1,0,0|2,0,0]=4 275 B15R2.894 CC(C)(CBr)C1CC1c2ccccc2 Amb27855830 [1,0,0,1,0,0|2,0,0]=4 276 B15R2.2291 CC(C)(C=O)N1CCc2ccccc21 Amb27213563 [1,0,0,1,0,0|0,0,2]=4 277 B15R2.2291 CC(C)(CBr)C1CCc2ccccc21 Amb33430897 [1,0,0,1,0,0|2,0,0]=4 278 B15R2.2291 CC(C)(CN)C1CCc2ccccc21 Amb26904404 [1,0,0,1,0,0|2,0,0]=4 279 B15R2.2291 CC(C)(CN)N1CCc2ccccc21 Amb6266361 [1,0,0,1,0,0|1,0,0]=3 280 B15R2.2291 CC(C)(CO)C1CCc2ccccc21 Amb24355218 [1,0,0,1,0,0|1,0,0]=3 281 B15R2.2291 CC(C)(CO)C1NCc2ccccc21 Amb27386866 [1,0,0,1,0,0|2,0,0]=4 282 B15R2.2291 CC(C)(CO)[C@H]1CCc2ccccc21 Amb28455242 [1,0,0,1,0,0|1,0,0]=3 283 B15R2.2291 CC(C)(CO)n1ccc2ccccc21 Amb27456670 [1,0,0,1,0,0|0,0,2]=4 284 B15R2.2291 CC(N)(CO)C1CCc2ccccc21 Amb33145097 [1,0,0,1,0,0|2,0,0]=4 285 B15R2.5228 OCC1(CNCc2ccccc2)CC1 Amb26055963 [1,0,0,1,0,0|2,0,0]=4 286 B15R2.5228 OCC1(COCc2ccccc2)CC1 Amb26639343 [1,0,0,1,0,0|2,0,0]=4 287 B15R2.7402 CC1(C)C(N)C1CCc2ccccc2 Amb32951859 [1,0,0,1,0,0|2,0,0]=4 288 B15R2.7402 CC1(C)[C@@H](N)[C@@H]1CCc2ccccc2 Amb32951854 [1,0,0,1,0,0|2,0,0]=4 289 B15R2.7507 CC1(OCCc2ccccc2)CNC1 Amb32952386 [1,0,0,1,0,0|2,0,0]=4 290 B15R2.7532 CC1(C)CNC(Cc2ccccc2)O1 Amb17506180 [1,0,0,1,0,0|2,0,0]=4 291 B15R2.7532 CC1(C)CN[C@H](Cc2ccccc2)C1 Amb27482740 [1,0,0,1,0,0|2,0,0]=4 292 B15R2.7532 CC1(C)COC(Cc2ccccc2)=N1 Amb4477021 [1,0,0,1,0,0|0,0,2]=4 293 B15R2.7532 CC1(C)COC(Cc2ccccc2)N1 Amb17506179 [1,0,0,1,0,0|0,0,0]=2 294 B15R2.7532 CC1(C)CSC(Cc2ccccc2)N1 Amb27417719 [1,0,0,1,0,0|0,1,0]=3 295 B15R2.7532 CC1(C)NC(Cc2ccccc2)CO1 Amb18563401 [1,0,0,1,0,0|2,0,0]=4 296 B15R2.7532 CC1(C)NCC(Cc2ccccc2)N1 Amb27786744 [1,0,0,1,0,0|2,0,0]=4 297 B15R2.7532 CC1(C)NC[C@H](Cc2ccccc2)N1 Amb27811224 [1,0,0,1,0,0|2,0,0]=4 298 B15R2.7532 CC1(C)N[C@@H](Cc2ccccc2)CO1 Amb28368452 [1,0,0,1,0,0|2,0,0]=4 299 B15R2.9912 CC1(C)CCCc2ccccc2C1Cl Amb27166136 [1,0,0,1,0,0|2,0,0]=4 300 B15R2.59561 CC(C)(CN)CC1Cc2ccccc21 Amb27829407 [1,0,0,1,0,0|2,0,0]=4 301 B15R2.4444 CC(C)(C)O[C@H]1C[C@@H]1c2ccccc2 Amb27784522 [1,0,0,1,0,0|2,0,0]=4 302 B15R2.7531 CC1(C)CCC(N)(c2ccccc2)C1 Amb27255777 [1,0,0,1,0,0|2,0,0]=4 303 B15R2.7531 CC1(C)CCC(O)(c2ccccc2)C1 Amb26481203 [1,0,0,1,0,0|1,0,0]=3 304 B15R2.53146 CC(C)(C)N1OC(O)c2ccccc21 Amb28065162 [1,0,0,1,0,0|1,0,0]=3 305 B15R2.53146 CC(C)(C)[C@@H]1C[C@H](O)c2ccccc21 Amb27260251 [1,0,0,1,0,0|1,0,0]=3 306 B15R2.53146 CC(C)(C)[C@H]1C[C@H](O)c2ccccc21 Amb28345421 [1,0,0,1,0,0|1,0,0]=3 307 B15R2.53146 CC(C)(C)[C@H]1O[C@H](O)c2ccccc21 Amb28247996 [1,0,0,1,0,0|2,0,0]=4 308 B15R2.53146 CC1ON(C(C)(C)C)c2ccccc21 Amb28132877 [1,0,0,1,0,0|2,0,0]=4 309 B15R2.586 CC1(C)CC=CC(c2ccccc2)N1 Amb27952793 [0,0,0,1,1,0|2,0,0]=4 310 B15R2.586 CC1(C)CCCC(c2ccccc2)N1 Amb9782778 [0,0,0,1,1,0|2,0,0]=4 311 B15R2.586 CC1(C)CNCC(c2ccccc2)C1 Amb18564616 [0,0,0,1,1,0|2,0,0]=4 312 B15R2.586 CC1(C)CNCC(c2ccccc2)N1 Amb27215474 [0,0,0,1,1,0|2,0,0]=4 313 B15R2.586 CC1(C)COCC(c2ccccn2)N1 Amb18565128 [0,0,0,1,1,0|2,0,0]=4 314 B15R2.586 CC1(C)COCC(c2cccnc2)N1 Amb18565129 [0,0,0,1,1,0|2,0,0]=4 315 B15R2.586 CC1(C)COCC(c2ccncc2)N1 Amb18565130 [0,0,0,1,1,0|2,0,0]=4 316 B15R2.586 CC1(C)COC[C@H](c2ccccc2)N1 Amb5781710 [0,0,0,1,1,0|1,0,0]=3 317 B15R2.586 CC1(O)CCOC(c2ccccc2)C1 Amb27237949 [0,0,0,1,1,0|2,0,0]=4 318 B15R2.5216 CC(CC1(CN)CC1)c2ccccc2 Amb18819888 [0,0,0,1,1,0|2,0,0]=4 319 B15R2.5216 CC(CC1(CO)CC1)c2ccccc2 Amb33224078 [0,0,0,1,1,0|1,0,0]=3 320 B15R2.5216 CN(CC1(CO)CC1)c2ccccc2 Amb17336354 [0,0,0,1,1,0|2,0,0]=4 321 B15R2.5216 N#CC1(CC(O)c2ccccc2)CC1 Amb27764027 [0,0,0,1,1,0|1,0,1]=4 322 B15R2.5216 O=C(NC1(CO)CC1)c2ccccc2 Amb22749111 [0,0,0,1,1,0|0,0,2]=4 323 B15R2.5216 [C-]#[N+]C1(CC(O)c2ccccc2)CC1 Amb28401048 [0,0,0,1,1,0|2,0,0]=4 324 B15R2.7364 CC(c1ccccc1)C2C(N)C2(C)C Amb33081886 [0,0,0,1,1,0|2,0,0]=4 325 B15R2.7364 CC(c1ccccc1)[C@@H]2[C@@H](N)C2(C)C Amb33081899 [0,0,0,1,1,0|2,0,0]=4 326 B15R2.13159 CC1(C)OC(c2ccccc2)CC1O Amb27486375 [0,0,0,1,1,0|2,0,0]=4 327 B15R2.13861 CC1(C)NC(=O)c2ccccc2C1O Amb23454484 [0,0,0,1,1,0|0,0,2]=4 328 B15R2.16456 CC(CC1(O)COC1)c2ccccc2 Amb35659179 [0,0,0,1,1,0|2,0,0]=4 329 B15R2.16456 NC1(CC(O)c2ccccc2)CCC1 Amb30030891 [0,0,0,1,1,0|2,0,0]=4 330 B15R2.25888 CC1(CO)Cc2ccccc2C(O)C1 Amb27169957 [0,0,0,1,1,0|0,0,0]=2 331 B15R2.156784 CC1(C)CCc2ccccc2C(Br)C1 Amb27589029 [0,0,0,1,1,0|2,0,0]=4 332 B15R2.156784 CC1(C)CCc2ccccc2C(N)C1 Amb18944006 [0,0,0,1,1,0|2,0,0]=4 333 B15R2.156784 CC1(C)CCc2ccccc2C(N)C1 Amb28750736 [0,0,0,1,1,0|2,0,0]=4 334 B15R2.156784 CC1(C)CCc2ccccc2C(O)C1 Amb19041000 [0,0,0,1,1,0|1,0,0]=3 335 B15R2.156784 CC1(C)CCc2ccccc2[C@@H](N)C1 Amb32654867 [0,0,0,1,1,0|2,0,0]=4 336 B15R2.156784 CC1(C)CCc2ccccc2[C@@H](O)C1 Amb32654862 [0,0,0,1,1,0|1,0,0]=3 337 B15R2.156784 CC1(C)COc2ccccc2C(=O)N1 Amb27612431 [0,0,0,1,1,0|0,0,2]=4 338 B15R2.25876 CCC1(C)COC(c2ccco2)CN1 Amb27647870 [0,0,0,1,1,0|2,0,0]=4 339 B17R2.346665 CC1(C)CCC(O)(c2ccc(Br)cc2)CC1 Amb32750906 [0,1,0,1,0,0|2,0,0]=4 340 B17R2.346665 CC1(C)COC(C)(c2ccc(Cl)cc2)CN1 Amb5751148 [0,1,0,1,0,0|1,0,0]=3 341 B17R2.346665 CC1(C)COC(C)(c2ccc(F)cc2)CN1 Amb5751147 [0,1,0,1,0,0|1,0,0]=3 342 B17R2.346665 Cc1ccc(C2(C)CNC(C)(C)CO2)cc1 Amb5751140 [0,1,0,1,0,0|1,0,0]=3 343 B17R2.717268 CC1(C)CCC(O)(c2cccc(Br)c2)CC1 Amb32750925 [0,1,0,1,0,0|2,0,0]=4 344 B17R2.80211 CNC1(CO)CCC(c2ccccc2)CC1 Amb18971883 [0,1,0,1,0,0|2,0,0]=4 345 B17R2.80211 OCC1(CO)COC(c2ccccc2)OC1 Amb2099770 [0,1,0,1,0,0|2,0,0]=4 346 B17R3.27901 OC1(c2ccccc2)CCC3(CC3)CC1 Amb32669895 [0,0,0,2,0,0|2,0,0]=4 347 B13R1.11 CC(CC(N)CO)c1ccccc1 Amb19018569 [1,0,0,0,1,0|2,0,0]=4 348 B13R1.11 CC(CN)CC(C)c1ccccc1 Amb33727754 [1,0,0,0,1,0|2,0,0]=4 349 B13R1.11 CC(CO)CC(C)c1ccccc1 Amb22733184 [1,0,0,0,1,0|1,0,0]=3 350 B13R1.11 CC(CO)NC(=O)c1ccccc1 Amb4026987 [1,0,0,0,1,0|0,0,2]=4 351 B13R1.11 CC(CO)NC(C)c1ccccc1 Amb9359811 [1,0,0,0,1,0|1,0,0]=3 352 B13R1.11 CC(CO)NC(C)c1ccccn1 Amb9359793 [1,0,0,0,1,0|2,0,0]=4 353 B13R1.11 CC(CO)NC(C)c1cccnc1 Amb9359791 [1,0,0,0,1,0|2,0,0]=4 354 B13R1.11 CC(CO)NC(C)c1ccncc1 Amb9359792 [1,0,0,0,1,0|2,0,0]=4 355 B13R1.11 CC(C[C@@H](C)CN)c1ccccc1 Amb33743135 [1,0,0,0,1,0|2,0,0]=4 356 B13R1.11 CC(C[C@@H](C)CO)c1ccccc1 Amb33736433 [1,0,0,0,1,0|1,0,0]=3 357 B13R1.11 CC(C[C@H](C)CN)c1ccccc1 Amb33726992 [1,0,0,0,1,0|2,0,0]=4 358 B13R1.11 CC(C[C@H](C)CO)c1ccccc1 Amb33729468 [1,0,0,0,1,0|1,0,0]=3 359 B13R1.11 CCC(C)NC(C)c1ccccc1 Amb2612137 [1,0,0,0,1,0|2,0,0]=4 360 B13R1.11 C[C@@H](CO)NC(=O)c1ccccc1 Amb24346934 [1,0,0,0,1,0|0,0,2]=4 361 B13R1.11 C[C@@H](CO)NC(=S)c1ccccc1 Amb27405275 [1,0,0,0,1,0|0,1,1]=4 362 B13R1.11 C[C@H](CO)NC(=O)c1ccccc1 Amb27174563 [1,0,0,0,1,0|0,0,2]=4 363 B13R1.11 C\C(=C\C(O)c1ccccc1)CO Amb27457898 [1,0,0,0,1,0|0,0,2]=4 364 B13R1.11 NC(CO)CC(O)c1ccccc1 Amb32681151 [1,0,0,0,1,0|1,0,0]=3 365 B13R1.252 CC(C)(CO)CCCc1ccsc1 Amb33320890 [1,0,0,0,1,0|2,0,0]=4 366 B13R1.254 C#CC(C)(C)CCc1ccccc1 Amb33081494 [1,0,0,0,1,0|1,0,1]=4 367 B13R1.254 CC(C)(C#N)CCc1ccccc1 Amb17442055 [1,0,0,0,1,0|1,0,1]=4 368 B13R1.254 CC(C)(C#N)NCc1ccccc1 Amb17044913 [1,0,0,0,1,0|1,0,1]=4 369 B13R1.254 CC(C)(C#N)NCc1ccccc1 Amb21927462 [1,0,0,0,1,0|1,0,1]=4 370 B13R1.254 CC(C)(C=O)CCc1ccccc1 Amb33042812 [1,0,0,0,1,0|0,0,2]=4 371 B13R1.254 CC(C)(CBr)CCc1ccccc1 Amb32951240 [1,0,0,0,1,0|1,0,0]=3 372 B13R1.254 CC(C)(CBr)OCc1ccccc1 Amb24384906 [1,0,0,0,1,0|2,0,0]=4 373 B13R1.254 CC(C)(CCc1ccccc1)ON Amb32951849 [1,0,0,0,1,0|2,0,0]=4 374 B13R1.254 CC(C)(CF)NCc1ccccc1 Amb19374931 [1,0,0,0,1,0|1,0,0]=3 375 B13R1.254 CC(C)(CI)OCc1ccccc1 Amb26080642 [1,0,0,0,1,0|2,0,0]=4 376 B13R1.254 CC(C)(CN)CCc1ccccc1 Amb4358595 [1,0,0,0,1,0|1,0,0]=3 377 B13R1.254 CC(C)(CN)CNc1ccccc1 Amb28366045 [1,0,0,0,1,0|2,0,0]=4 378 B13R1.254 CC(C)(CN)COc1ccccc1 Amb17233605 [1,0,0,0,1,0|2,0,0]=4 379 B13R1.254 CC(C)(CN)NCc1ccccc1 Amb21927464 [1,0,0,0,1,0|1,0,0]=3 380 B13R1.254 CC(C)(CO)CCc1ccccc1 Amb32954513 [1,0,0,0,1,0|0,0,0]=2 381 B13R1.254 CC(C)(CO)CNc1ccccc1 Amb18932873 [1,0,0,0,1,0|1,0,0]=3 382 B13R1.254 CC(C)(CO)CNc1cccnc1 Amb18270040 [1,0,0,0,1,0|2,0,0]=4 383 B13R1.254 CC(C)(CO)CNc1ccncc1 Amb18269984 [1,0,0,0,1,0|2,0,0]=4 384 B13R1.254 CC(C)(CO)COc1ccccc1 Amb17233710 [1,0,0,0,1,0|1,0,0]=3 385 B13R1.254 CC(C)(CO)NCc1ccccc1 Amb1922664 [1,0,0,0,1,0|0,0,0]=2 386 B13R1.254 CC(C)(CO)NCc1ccccc1 Amb6864549 [1,0,0,0,1,0|0,0,0]=2 387 B13R1.254 CC(C)(CO)NCc1ccccn1 Amb5262444 [1,0,0,0,1,0|1,0,0]=3 388 B13R1.254 CC(C)(CO)NCc1ccccn1 Amb6868318 [1,0,0,0,1,0|1,0,0]=3 389 B13R1.254 CC(C)(CO)NCc1cccnc1 Amb1922665 [1,0,0,0,1,0|1,0,0]=3 390 B13R1.254 CC(C)(CO)NCc1cccnc1 Amb6864550 [1,0,0,0,1,0|1,0,0]=3 391 B13R1.254 CC(C)(CO)NCc1ccncc1 Amb837740 [1,0,0,0,1,0|1,0,0]=3 392 B13R1.254 CC(C)(CO)NCc1ccncc1 Amb8620773 [1,0,0,0,1,0|1,0,0]=3 393 B13R1.254 CC(C)(CO)OCc1ccccc1 Amb10605516 [1,0,0,0,1,0|1,0,0]=3 394 B13R1.254 CC(C)(CO)\N=C\c1ccccc1 Amb24379541 [1,0,0,0,1,0|0,0,2]=4 395 B13R1.254 CC(C)(\C=C\c1ccccc1)CO Amb32954712 [1,0,0,0,1,0|0,0,2]=4 396 B13R1.254 CC(N)(CO)CCc1ccccc1 Amb19009205 [1,0,0,0,1,0|1,0,0]=3 397 B13R1.254 CC(N)(CO)COc1ccccc1 Amb33329486 [1,0,0,0,1,0|2,0,0]=4 398 B13R1.254 CC(O)(CN)CCc1ccccc1 Amb9295086 [1,0,0,0,1,0|2,0,0]=4 399 B13R1.254 CCC(C)(C)NCc1ccccc1 Amb875691 [1,0,0,0,1,0|1,0,0]=3 400 B13R1.254 CCC(C)(C)NCc1ccccn1 Amb875993 [1,0,0,0,1,0|2,0,0]=4 401 B13R1.254 CCC(C)(C)NCc1cccnc1 Amb875739 [1,0,0,0,1,0|2,0,0]=4 402 B13R1.254 CCC(C)(C)NCc1ccncc1 Amb875730 [1,0,0,0,1,0|2,0,0]=4 403 B13R1.254 CNC(C)(C)CCc1ccccc1 Amb17400626 [1,0,0,0,1,0|2,0,0]=4 404 B13R1.254 OCC(F)(F)CCc1ccccc1 Amb32954511 [1,0,0,0,1,0|2,0,0]=4 405 B13R1.352 CC(C)(C)CC(=O)c1ccccc1 Amb6302036 [1,0,0,0,1,0|0,0,2]=4 406 B13R1.352 CC(C)(C)CC(N)c1ccccc1 Amb6255921 [1,0,0,0,1,0|1,0,0]=3 407 B13R1.352 CC(C)(C)CC(N)c1ccccn1 Amb22642902 [1,0,0,0,1,0|2,0,0]=4 408 B13R1.352 CC(C)(C)CC(N)c1ccccn1 Amb35745570 [1,0,0,0,1,0|2,0,0]=4 409 B13R1.352 CC(C)(C)CC(N)c1cccnc1 Amb10669519 [1,0,0,0,1,0|2,0,0]=4 410 B13R1.352 CC(C)(C)CC(N)c1ccncc1 Amb22642900 [1,0,0,0,1,0|2,0,0]=4 411 B13R1.352 CC(C)(C)CC(O)c1cccnc1 Amb27466848 [1,0,0,0,1,0|1,0,0]=3 412 B13R1.352 CC(C)(C)CC(S)c1ccccc1 Amb4013282 [1,0,0,0,1,0|0,1,0]=3 413 B13R1.352 CC(C)(C)C[C@@H](N)c1ccncc1 Amb27586950 [1,0,0,0,1,0|2,0,0]=4 414 B13R1.352 CC(C)(C)C[C@H](N)c1ccccc1 Amb28243482 [1,0,0,0,1,0|1,0,0]=3 415 B13R1.352 CC(C)(C)C[C@H](N)c1ccccn1 Amb27228005 [1,0,0,0,1,0|2,0,0]=4 416 B13R1.352 CC(C)(C)NC(=N)c1ccccc1 Amb27458408 [1,0,0,0,1,0|1,0,1]=4 417 B13R1.352 CC(C)(C)NC(=O)c1ccccc1 Amb17730892 [1,0,0,0,1,0|0,0,2]=4 418 B13R1.352 CC(C)(C)NS(=O)c1ccccc1 Amb27471116 [1,0,0,0,1,0|1,0,1]=4 419 B13R1.352 CC(C)(N)CC(F)c1ccccc1 Amb27451156 [1,0,0,0,1,0|2,0,0]=4 420 B13R1.352 CC(C)(N)CC(O)c1cccnc1 Amb18193692 [1,0,0,0,1,0|2,0,0]=4 421 B13R1.352 CC(C)(N)C[C@@H](O)c1ccccc1 Amb28060134 [1,0,0,0,1,0|1,0,0]=3 422 B13R1.352 CC(C)(O)CC(O)c1ccccc1 Amb26068305 [1,0,0,0,1,0|0,0,0]=2 423 B13R1.352 CC(C)(O)C[C@@H](O)c1ccccc1 Amb27662185 [1,0,0,0,1,0|0,0,0]=2 424 B13R1.352 CC(CC(C)(C)C)c1ccccc1 Amb27779167 [1,0,0,0,1,0|1,0,0]=3 425 B13R1.352 CC(CC(C)(C)N)c1ccccc1 Amb28193315 [1,0,0,0,1,0|2,0,0]=4 426 B13R1.352 CC(CC(C)(C)O)c1ccccc1 Amb25175754 [1,0,0,0,1,0|1,0,0]=3 427 B13R1.352 CN(CC(C)(C)C)c1ccccc1 Amb17233321 [1,0,0,0,1,0|2,0,0]=4 428 B13R1.352 CN(CC(C)(C)O)c1ccccc1 Amb17138934 [1,0,0,0,1,0|2,0,0]=4 429 B13R1.352 C[C@H](NC(C)(C)C)c1ccccc1 Amb27415564 [1,0,0,0,1,0|1,0,0]=3 430 B13R1.352 C[Si](C)(C)CC(N)c1ccccc1 Amb27777168 [1,0,0,0,1,0|1,1,0]=4 431 B13R1.2780 CC(C)(C)NCC(O)c1ccco1 Amb17139069 [1,0,0,0,1,0|1,0,0]=3 432 B13R1.2780 CC(C)(C)NCC(O)c1cccs1 Amb17139767 [1,0,0,0,1,0|1,0,0]=3 433 B13R1.263 C=C(c1ccccc1)C(C)(C)CO Amb28292138 [0,0,0,0,2,0|1,0,1]=4 434 B13R1.263 C=CC(C)(C)C(O)c1ccccc1 Amb27857995 [0,0,0,0,2,0|1,0,1]=4 435 B13R1.263 CC(C)(C#N)C(O)c1ccccc1 Amb578625 [0,0,0,0,2,0|1,0,1]=4 436 B13R1.263 CC(C)(C=O)[C@@H](O)c1ccccc1 Amb28388613 [0,0,0,0,2,0|0,0,2]=4 437 B13R1.263 CC(C)(C=O)[C@H](O)c1ccccc1 Amb28239495 [0,0,0,0,2,0|0,0,2]=4 438 B13R1.263 CC(C)(CN)C(N)c1ccccc1 Amb25752199 [0,0,0,0,2,0|2,0,0]=4 439 B13R1.263 CC(C)(CN)C(O)c1ccccc1 Amb18252491 [0,0,0,0,2,0|1,0,0]=3 440 B13R1.263 CC(C)(CN)C(O)c1ccccn1 Amb26878762 [0,0,0,0,2,0|2,0,0]=4 441 B13R1.263 CC(C)(CN)C(O)c1cccnc1 Amb18909171 [0,0,0,0,2,0|2,0,0]=4 442 B13R1.263 CC(C)(CN)C(O)c1ccncc1 Amb24715184 [0,0,0,0,2,0|2,0,0]=4 443 B13R1.263 CC(C)(CO)C(F)c1ccccc1 Amb32862889 [0,0,0,0,2,0|1,0,0]=3 444 B13R1.263 CC(C)(CO)C(N)c1ccccc1 Amb17605527 [0,0,0,0,2,0|1,0,0]=3 445 B13R1.263 CC(C)(CO)C(N)c1ccccn1 Amb27775181 [0,0,0,0,2,0|2,0,0]=4 446 B13R1.263 CC(C)(CO)C(N)c1cccnc1 Amb26604693 [0,0,0,0,2,0|2,0,0]=4 447 B13R1.263 CC(C)(CO)C(O)c1ccccc1 Amb9825980 [0,0,0,0,2,0|0,0,0]=2 448 B13R1.263 CC(C)(CO)C(O)c1ccncc1 Amb3993655 [0,0,0,0,2,0|1,0,0]=3 449 B13R1.263 CC(C)(CO)[C@@H](Cl)c1ccccc1 Amb28118840 [0,0,0,0,2,0|1,0,0]=3 450 B13R1.263 CC(C)(CO)[C@@H](N)c1ccccc1 Amb22736693 [0,0,0,0,2,0|1,0,0]=3 451 B13R1.263 CC(C)(CO)[C@@H](N)c1cccnc1 Amb28060220 [0,0,0,0,2,0|2,0,0]=4 452 B13R1.263 CC(C)(CO)[C@@H](N)c1ccncc1 Amb27628979 [0,0,0,0,2,0|2,0,0]=4 453 B13R1.263 CC(C)(CO)[C@@H](O)c1ccccc1 Amb22737277 [0,0,0,0,2,0|0,0,0]=2 454 B13R1.263 CC(C)(CO)[C@H](N)c1ccccc1 Amb22736692 [0,0,0,0,2,0|1,0,0]=3 455 B13R1.263 CC(C)(CO)[C@H](O)c1ccccc1 Amb27147490 [0,0,0,0,2,0|0,0,0]=2 456 B13R1.263 CC(C)(NO)C(O)c1ccccc1 Amb24376632 [0,0,0,0,2,0|1,0,0]=3 457 B13R1.263 CC(c1ccccc1)C(C)(C)CBr Amb33081861 [0,0,0,0,2,0|2,0,0]=4 458 B13R1.263 CC(c1ccccc1)C(C)(C)CN Amb17333855 [0,0,0,0,2,0|2,0,0]=4 459 B13R1.263 CC(c1ccccc1)C(C)(C)CO Amb28341231 [0,0,0,0,2,0|1,0,0]=3 460 B13R1.263 CC(c1ccccc1)C(C)(N)CO Amb33081891 [0,0,0,0,2,0|2,0,0]=4 461 B13R1.263 CCC(C)(C)C(Cl)c1ccccc1 Amb27208277 [0,0,0,0,2,0|2,0,0]=4 462 B13R1.263 CCC(C)(N)C(O)c1ccccc1 Amb35587088 [0,0,0,0,2,0|2,0,0]=4 463 B13R1.263 CCC(C)(O)C(O)c1ccccc1 Amb28041348 [0,0,0,0,2,0|2,0,0]=4 464 B13R1.263 CN(c1ccccc1)C(C)(C)CO Amb27397103 [0,0,0,0,2,0|2,0,0]=4 465 B15R1.959 CCC(C)NCCC(C)c1ccccc1 Amb19892193 [1,0,0,0,0,1|2,0,0]=4 466 B15R1.959 CCC(C)NCCC(C)c1ccccc1 Amb20673635 [1,0,0,0,0,1|2,0,0]=4 467 B15R1.315 CC(C)(CBr)CCNCc1ccccc1 Amb27774726 [1,0,0,0,0,1|2,0,0]=4 468 B15R1.315 CC(C)(CBr)CCOCc1ccccc1 Amb26938387 [1,0,0,0,0,1|2,0,0]=4 469 B15R1.315 CC(C)(CBr)OCCCc1ccccc1 Amb33348287 [1,0,0,0,0,1|2,0,0]=4 470 B15R1.315 CC(C)(CBr)OCCOc1ccccc1 Amb33348288 [1,0,0,0,0,1|2,0,0]=4 471 B15R1.315 CC(C)(CCl)CCOCc1ccccc1 Amb24737897 [1,0,0,0,0,1|2,0,0]=4 472 B15R1.315 CC(C)(CI)OCCCc1ccccc1 Amb33348463 [1,0,0,0,0,1|2,0,0]=4 473 B15R1.315 CC(C)(CI)OCCOc1ccccc1 Amb33348447 [1,0,0,0,0,1|2,0,0]=4 474 B15R1.315 CC(C)(CN)CCOCc1ccccc1 Amb27869277 [1,0,0,0,0,1|2,0,0]=4 475 B15R1.315 CC(C)(CO)CCOCc1ccccc1 Amb26390252 [1,0,0,0,0,1|1,0,0]=3 476 B15R1.315 CC(C)(CO)NCC#Cc1ccccc1 Amb6857501 [1,0,0,0,0,1|0,0,1]=3 477 B15R1.315 CC(C)(CO)NC\C=C\c1ccccc1 Amb1846416 [1,0,0,0,0,1|0,0,1]=3 478 B15R1.315 CCC(C)(C)CNOCc1ccccc1 Amb28245039 [1,0,0,0,0,1|2,0,0]=4 479 B15R1.9094 CC(C)(C)CNCC(O)c1ccccc1 Amb19349197 [1,0,0,0,0,1|0,0,0]=2 480 B15R1.9094 CC(C)(C)CNCC(O)c1ccccc1 Amb22058896 [1,0,0,0,0,1|0,0,0]=2 481 B15R1.9094 CC(C)(C)COCC(N)c1ccccc1 Amb32584279 [1,0,0,0,0,1|2,0,0]=4 482 B15R1.9094 CC(NCCC(C)(C)C)c1ccccc1 Amb33363279 [1,0,0,0,0,1|2,0,0]=4 483 B15R1.9108 CC(C)(C)NCC(=O)Nc1ccccc1 Amb6714566 [1,0,0,0,0,1|0,0,2]=4