0 B14R1.158 C#CCCNC(=O)Nc1ccccc1 Amb21942385 [0,0,0,0,0,0|3,0,1]=4 1 B14R1.158 CC(Cc1ccccc1)NCCC#N Amb22055262 [0,0,0,0,0,0|0,0,0]=0 2 B14R1.158 CCCCNC(=S)Cc1ccccc1 Amb10561700 [0,0,0,0,0,0|2,0,2]=4 3 B14R1.158 CCCCNC(C)Cc1ccccc1 Amb19041462 [0,0,0,0,0,0|1,0,1]=2 4 B14R1.158 CN(CCCCBr)Cc1ccccc1 Amb25043982 [0,0,0,0,0,0|3,0,1]=4 5 B14R1.158 COCCCN(Cc1ccccc1)C Amb17235703 [0,0,0,0,0,0|4,0,0]=4 6 B14R1.158 ClCCCCN(Cc1ccccc1)C Amb17339782 [0,0,0,0,0,0|3,0,1]=4 7 B14R1.158 N#CCCNC(=O)Cc1ccccc1 Amb17401185 [0,0,0,0,0,0|1,0,1]=2 8 B14R1.158 N#CCCNC(=O)Nc1ccccc1 Amb19077703 [0,0,0,0,0,0|2,0,1]=3 9 B14R1.158 N#CCCNC(=S)Nc1ccccc1 Amb16765997 [0,0,0,0,0,0|2,0,1]=3 10 B14R1.158 NOCCCN(Cc1ccccc1)C Amb17104882 [0,0,0,0,0,0|3,0,1]=4 11 B13R1.28 C#CCCNOCc1ccccc1 Amb24609352 [1,0,0,0,0,0|2,0,0]=3 12 B13R1.28 C#C\C=C\NCCc1ccccc1 Amb24489127 [1,0,0,0,0,0|1,0,2]=4 13 B13R1.28 C=CCCNCCc1ccccc1 Amb19737352 [1,0,0,0,0,0|1,0,1]=3 14 B13R1.28 CCCCNCCc1c[n]ccc1 Amb18180859 [1,0,0,0,0,0|2,0,1]=4 15 B13R1.28 CCCCNCCc1ccccc1 Amb2172322 [1,0,0,0,0,0|1,0,1]=3 16 B13R1.28 CCCCOCCc1ccccc1 Amb24065444 [1,0,0,0,0,0|2,0,1]=4 17 B13R1.28 CNCCNCCc1ccccc1 Amb20140448 [1,0,0,0,0,0|2,0,0]=3 18 B13R1.28 COCCNCCc1ccccc1 Amb2119876 [1,0,0,0,0,0|2,0,0]=3 19 B13R1.28 COCCNCCc1ccncc1 Amb16191750 [1,0,0,0,0,0|3,0,0]=4 20 B13R1.28 ClCCCCCCc1ccccc1 Amb10807864 [1,0,0,0,0,0|2,0,1]=4 21 B13R1.28 ClCCCNCCc1ccccc1 Amb20620360 [1,0,0,0,0,0|1,0,1]=3 22 B13R1.28 Cl[Mg]CCCCCc1ccccc1 Amb22897683 [1,0,0,0,0,0|3,0,0]=4 23 B13R1.28 Cl[Zn]CCCCCc1ccccc1 Amb22897865 [1,0,0,0,0,0|3,0,0]=4 24 B13R1.28 N#CCCCCCc1ccccc1 Amb22230104 [1,0,0,0,0,0|1,0,0]=2 25 B13R1.28 N#CCCNCCc1ccccc1 Amb21953980 [1,0,0,0,0,0|0,0,0]=1 26 B13R1.28 N#CSCCNCc1ccccc1 Amb23575679 [1,0,0,0,0,0|3,0,0]=4 27 B13R1.28 NCCCCCCc1ccccc1 Amb17233312 [1,0,0,0,0,0|1,0,2]=4 28 B13R1.28 NCCCCCCc1ccccc1 Amb17619338 [1,0,0,0,0,0|1,0,2]=4 29 B13R1.28 NCCCNCCc1ccccc1 Amb17315277 [1,0,0,0,0,0|0,0,2]=3 30 B13R1.28 NCCCNOCc1ccccc1 Amb24373107 [1,0,0,0,0,0|1,0,2]=4 31 B13R1.28 OCCCOCCc1ccccc1 Amb10609118 [1,0,0,0,0,0|2,0,1]=4 32 B13R1.28 [NH3+]CCCCCCc1ccccc1 Amb22729464 [1,0,0,0,0,0|1,0,2]=4 33 B13R1.44 C#CCNC(=O)Cc1ccccc1 Amb18185767 [1,0,0,0,0,0|1,0,2]=4 34 B13R1.44 CC#CCC(N)Cc1ccccc1 Amb18183777 [1,0,0,0,0,0|2,0,1]=4 35 B13R1.44 CC#CCC(O)Cc1ccccc1 Amb18183851 [1,0,0,0,0,0|2,0,1]=4 36 B13R1.44 CC(CCCO)Nc1ccccc1 Amb21984572 [1,0,0,0,0,0|2,0,1]=4 37 B13R1.44 CC(Cc1ccccc1)NCC#C Amb17618673 [1,0,0,0,0,0|0,0,1]=2 38 B13R1.44 CC(Cc1ccccc1)NCC#C Amb19148861 [1,0,0,0,0,0|0,0,1]=2 39 B13R1.44 CCCCN(Cc1ccccc1)C Amb1828371 [1,0,0,0,0,0|2,0,1]=4 40 B13R1.44 CCCNC(C)Cc1ccccc1 Amb18180702 [1,0,0,0,0,0|0,0,1]=2 41 B13R1.44 CN(CCCF)Cc1ccccc1 Amb25098301 [1,0,0,0,0,0|2,0,1]=4 42 B13R1.44 CN(CCCN)Cc1ccccc1 Amb22001972 [1,0,0,0,0,0|1,0,2]=4 43 B13R1.44 CN(Cc1ccccc1)CCC#C Amb25681570 [1,0,0,0,0,0|2,0,0]=3 44 B13R1.44 CN(Cc1ccccc1)CCC#N Amb10812390 [1,0,0,0,0,0|1,0,0]=2 45 B13R1.44 CN(Cc1ccccc1)CCC=O Amb18178416 [1,0,0,0,0,0|2,0,1]=4 46 B13R1.44 CN(Cc1ccccc1)CCNN Amb24741208 [1,0,0,0,0,0|2,0,1]=4 47 B13R1.44 CN(Cc1ccccc1)CCON Amb22446488 [1,0,0,0,0,0|2,0,1]=4 48 B13R1.44 ClCCCN(Cc1ccccc1)C Amb17337263 [1,0,0,0,0,0|2,0,1]=4 49 B13R1.44 ClCCNC(=O)Cc1ccccc1 Amb2429404 [1,0,0,0,0,0|2,0,1]=4 50 B13R1.44 N#CCCC(=O)Nc1ccccc1 Amb17334976 [1,0,0,0,0,0|2,0,1]=4 51 B13R1.44 N#CCCC(=O)Oc1ccccc1 Amb17335036 [1,0,0,0,0,0|2,0,1]=4 52 B13R1.44 N#CCNC(=O)Cc1cc[n]cc1 Amb24676309 [1,0,0,0,0,0|2,0,1]=4 53 B13R1.44 N#CCNC(=O)Cc1ccc[n]c1 Amb24464474 [1,0,0,0,0,0|2,0,1]=4 54 B13R1.44 N#CCNC(=O)Oc1ccccc1 Amb18180566 [1,0,0,0,0,0|2,0,1]=4 55 B13R1.44 N#CCNC(=S)Cc1ccccc1 Amb24728278 [1,0,0,0,0,0|1,0,1]=3 56 B13R1.44 N#C\C=C\C(O)Cc1ccccc1 Amb18127067 [1,0,0,0,0,0|1,0,2]=4 57 B13R1.44 NCCCN(Cc1ccccc1)C Amb2371220 [1,0,0,0,0,0|1,0,2]=4 58 B13R1.44 NOCCN(Cc1ccccc1)C Amb17104856 [1,0,0,0,0,0|2,0,1]=4 59 B13R1.44 N[C@H](Cc1ccccc1)\C=C\C#N Amb25241664 [1,0,0,0,0,0|1,0,2]=4 60 B13R1.44 OCCNC(=O)Cc1ccccc1 Amb2437031 [1,0,0,0,0,0|2,0,1]=4 61 B15R1.83 CCCCCNC(C)Cc1ccccc1 Amb20222579 [0,1,0,0,0,0|1,0,1]=3 62 B15R1.83 CCCCNCC(C)Oc1ccccc1 Amb20077841 [0,1,0,0,0,0|2,0,1]=4 63 B15R1.83 CN(Cc1ccccc1)CCCCC#N Amb22340408 [0,1,0,0,0,0|2,0,0]=3 64 B15R1.83 CN(Cc1ccccc1)CCCNC#N Amb24657964 [0,1,0,0,0,0|2,0,0]=3 65 B15R1.83 CN(Cc1ccccc1)CCNCC#N Amb24620506 [0,1,0,0,0,0|2,0,0]=3 66 B15R1.83 COCCNCC(C)Oc1ccccc1 Amb20172930 [0,1,0,0,0,0|3,0,0]=4 67 B15R1.93 CC(NCCCC)C(O)c1ccccc1 Amb18604512 [0,1,0,0,0,0|1,0,1]=3 68 B15R1.93 CC(NCCCO)C(O)c1ccccc1 Amb18604506 [0,1,0,0,0,0|1,0,1]=3 69 B15R1.93 CC(NCCOC)C(O)c1ccccc1 Amb18604524 [0,1,0,0,0,0|2,0,0]=3 70 B15R1.128 CC(Cc1ccc(N)cc1)NCCCO Amb18550312 [0,1,0,0,0,0|1,0,1]=3 71 B15R1.128 CCCCNC(C)Cc1ccc(N)cc1 Amb18050262 [0,1,0,0,0,0|1,0,1]=3 72 B15R1.128 CN(Cc1ccc(Br)cc1)CCCC#N Amb19339923 [0,1,0,0,0,0|2,0,0]=3 73 B15R1.128 CN(Cc1ccc(cc1)Cl)CCCC#N Amb13976471 [0,1,0,0,0,0|2,0,0]=3 74 B15R1.128 COCCNC(C)Cc1ccc(Br)cc1 Amb18553086 [0,1,0,0,0,0|2,0,0]=3 75 B15R1.128 COCCNC(C)Cc1ccc(Cl)cc1 Amb18553087 [0,1,0,0,0,0|2,0,0]=3 76 B15R1.128 COCCNC(C)Cc1ccc(N)cc1 Amb18050738 [0,1,0,0,0,0|2,0,0]=3 77 B15R1.128 COCCNC(Cc1ccc(cc1)F)C Amb10815078 [0,1,0,0,0,0|2,0,0]=3 78 B15R1.128 Cc1ccc(CC(C)NCCCC)cc1 Amb18053926 [0,1,0,0,0,0|1,0,1]=3 79 B15R1.128 Cc1ccc(CC(C)NCCOC)cc1 Amb18553082 [0,1,0,0,0,0|2,0,0]=3 80 B15R1.128 N#CCCCS(=O)Cc1ccc(Cl)cc1 Amb24186632 [0,1,0,0,0,0|3,0,0]=4 81 B15R1.128 N#CCCNC(=O)Cc1ccc(cc1)Cl Amb17406222 [0,1,0,0,0,0|1,0,1]=3 82 B15R1.128 N#CCCNC(=O)Cc1ccc(cc1)F Amb17403200 [0,1,0,0,0,0|1,0,1]=3 83 B15R1.129 CCCCNC(C)Cc1cccc(Br)c1 Amb18053952 [0,1,0,0,0,0|1,0,1]=3 84 B15R1.129 CN(Cc1cccc(Cl)c1)CCCC#N Amb21174850 [0,1,0,0,0,0|2,0,0]=3 85 B15R1.129 COCCNC(C)Cc1cccc(Br)c1 Amb18054021 [0,1,0,0,0,0|2,0,0]=3 86 B15R1.129 Cc1cc(CC(=O)NCCC#C)ccc1 Amb21942378 [0,1,0,0,0,0|2,0,1]=4 87 B15R1.551 C#CCCN(C(Cc1cccnc1)C)C Amb17619612 [0,1,0,0,0,0|2,0,0]=3 88 B15R1.551 CN(C(=O)CCC#N)Cc1ccccc1 Amb17337777 [0,1,0,0,0,0|2,0,0]=3 89 B15R1.551 CN(Cc1ccccc1)C(=O)CCC#C Amb18636085 [0,1,0,0,0,0|3,0,0]=4 90 B15R1.551 NN(C(=S)Nc1ccccc1)CCC#N Amb2250631 [0,1,0,0,0,0|2,0,1]=4 91 B15R1.809 BrCCC(=O)NC(Cc1ccccc1)C Amb17327276 [0,1,0,0,0,0|1,0,2]=4 92 B15R1.809 CC(CN(C)Cc1ccccc1)NC#N Amb25353314 [0,1,0,0,0,0|3,0,0]=4 93 B15R1.809 CC(Cc1ccccc1)NC(=O)C#CBr Amb25256820 [0,1,0,0,0,0|1,0,2]=4 94 B15R1.964 CC(CNC(=O)Nc1ccccc1)C#N Amb20632150 [0,1,0,0,0,0|2,0,1]=4 95 B15R1.1035 CCN(Cc1ccccc1)CCCC#C Amb24553301 [0,1,0,0,0,0|3,0,0]=4 96 B15R1.1081 CC(Cc1ccccc1)NCCC(N)=O Amb20207671 [0,1,0,0,0,0|0,0,2]=3 97 B15R1.1081 CC(Cc1ccccc1)NCCC(O)=O Amb20207676 [0,1,0,0,0,0|1,0,1]=3 98 B15R1.1409 CN(Cc1ccccc1Br)CCCC#N Amb19339871 [0,1,0,0,0,0|2,0,0]=3 99 B15R1.1409 CN(Cc1ccccc1Cl)CCCC#N Amb21174845 [0,1,0,0,0,0|2,0,0]=3 100 B15R1.1409 CN(Cc1ccccc1F)CCCC#N Amb21174844 [0,1,0,0,0,0|2,0,0]=3 101 B15R1.1409 Cc1ccccc1CN(C)CCCC#N Amb19339896 [0,1,0,0,0,0|2,0,0]=3 102 B15R2.15 N#CC1CC(CC1)Nc2c[n]ccc2 Amb25717549 [0,0,0,1,0,0|3,0,0]=4 103 B15R2.15 N#CC1CC(CC1)Nc2cc[n]cc2 Amb24530902 [0,0,0,1,0,0|3,0,0]=4 104 B15R2.15 N#CC1CC(CC1)Nc2ccccc2 Amb24720740 [0,0,0,1,0,0|2,0,0]=3 105 B15R2.15 N#CC1CC(Cc2ccccc2)=NO1 Amb23453795 [0,0,0,1,0,0|1,0,2]=4 106 B15R2.15 N#CC1CCN(C1)Cc2ccccc2 Amb13887217 [0,0,0,1,0,0|2,0,0]=3 107 B15R2.15 N#CC1CN(Cc2c[n]ccc2)CC1 Amb25282968 [0,0,0,1,0,0|3,0,0]=4 108 B15R2.15 N#CC1CN(Cc2cc[n]cc2)CC1 Amb25716935 [0,0,0,1,0,0|3,0,0]=4 109 B15R2.15 N#CC1CN(Cc2cccc[n]2)CC1 Amb24424938 [0,0,0,1,0,0|3,0,0]=4 110 B15R2.31 BrC1CC(Cc2ccccc2)CCC1 Amb25306925 [0,0,0,1,0,0|2,0,1]=4 111 B15R2.31 C=C1CC(Cc2ccccc2)NCC1 Amb18649678 [0,0,0,1,0,0|1,0,1]=3 112 B15R2.31 CC1CC(Cc2ccc[n]c2)NCC1 Amb24376932 [0,0,0,1,0,0|2,0,1]=4 113 B15R2.31 CC1CC(Cc2cccc[n]2)NCC1 Amb25732138 [0,0,0,1,0,0|2,0,1]=4 114 B15R2.31 CC1CC(Cc2ccccc2)NCC1 Amb25324346 [0,0,0,1,0,0|1,0,1]=3 115 B15R2.31 CC1CCNC(Cc2ccccc2)S1 Amb24746444 [0,0,0,1,0,0|2,0,1]=4 116 B15R2.31 CN1CC(Cc2c[n]ccc2)NCC1 Amb18565009 [0,0,0,1,0,0|3,0,0]=4 117 B15R2.31 CN1CC(Cc2cc[n]cc2)NCC1 Amb18565013 [0,0,0,1,0,0|3,0,0]=4 118 B15R2.31 CN1CC(Cc2cccc[n]2)NCC1 Amb18565005 [0,0,0,1,0,0|3,0,0]=4 119 B15R2.31 CN1CC(Cc2ccccc2)NCC1 Amb18564794 [0,0,0,1,0,0|2,0,0]=3 120 B15R2.31 CN1C[C@@H](Cc2ccccc2)NCC1 Amb25381177 [0,0,0,1,0,0|2,0,0]=3 121 B15R2.31 ClC1CC(Cc2ccccc2)CCC1 Amb25115277 [0,0,0,1,0,0|2,0,1]=4 122 B15R2.31 ClC1CC(Cc2ccccc2)OCC1 Amb24406966 [0,0,0,1,0,0|2,0,1]=4 123 B15R2.31 Cl[C@@H]1C[C@H](Cc2ccccc2)OCC1 Amb25237293 [0,0,0,1,0,0|2,0,1]=4 124 B15R2.31 NC1CC(Cc2ccccc2)NCC1 Amb25209462 [0,0,0,1,0,0|0,0,2]=3 125 B15R2.31 N[C@@H]1C[C@@H](Cc2ccccc2)NCC1 Amb24663136 [0,0,0,1,0,0|0,0,2]=3 126 B15R2.31 O=C1CC(Cc2ccccc2)CCC1 Amb21959248 [0,0,0,1,0,0|2,0,1]=4 127 B15R2.31 O=C1CC(Cc2ccccc2)NCC1 Amb22235280 [0,0,0,1,0,0|1,0,1]=3 128 B15R2.31 O=C1C[C@@H](Cc2ccccc2)NCC1 Amb25244167 [0,0,0,1,0,0|1,0,1]=3 129 B15R2.31 O=C1C[C@H](Cc2ccccc2)NCC1 Amb24554093 [0,0,0,1,0,0|1,0,1]=3 130 B15R2.31 O=S1CC(Cc2ccccc2)NCC1 Amb25814941 [0,0,0,1,0,0|2,0,0]=3 131 B15R2.31 OC1CC(Cc2ccccc2)OCC1 Amb25338759 [0,0,0,1,0,0|2,0,1]=4 132 B15R2.31 O[C@@H]1C[C@@H](Cc2ccccc2)OCC1 Amb25257208 [0,0,0,1,0,0|2,0,1]=4 133 B15R2.31 O[C@H]1C[C@H](Cc2ccccc2)CCC1 Amb24661139 [0,0,0,1,0,0|2,0,1]=4 134 B15R2.54 CC1SCCCNC1c2ccccc2 Amb24393060 [0,0,0,1,0,0|1,0,2]=4 135 B15R2.405 CC1(Cc2ccccc2)CCCC1O Amb24457842 [0,0,0,1,0,0|2,0,1]=4 136 B15R2.405 CC1(Cc2ccccc2)NCCC1F Amb24396128 [0,0,0,1,0,0|1,0,1]=3 137 B15R2.541 CC1CCCN(C)C1c2ccccc2 Amb25242710 [0,0,0,1,0,0|3,0,0]=4 138 B15R2.1256 CC(Cc1ccccc1)NCC2CC2 Amb19040801 [0,0,0,1,0,0|1,0,1]=3 139 B15R2.1262 C#CCNCC1CC1c2ccccc2 Amb23537952 [0,0,0,1,0,0|3,0,0]=4 140 B15R2.1262 CC#CCNC1CC1c2ccccc2 Amb19069433 [0,0,0,1,0,0|1,0,1]=3 141 B15R2.1435 CC1Cc2ccccc2C1NCC#C Amb25145123 [0,0,0,1,0,0|3,0,0]=4 142 B15R2.1435 CC1Cc2ccccc2N1CCC#C Amb25058630 [0,0,0,1,0,0|1,0,0]=2 143 B15R2.1435 CC1Cc2ccccc2N1CCC=O Amb19040708 [0,0,0,1,0,0|1,0,1]=3 144 B15R2.1435 CC1Cc2ccccc2N1CCCBr Amb25739955 [0,0,0,1,0,0|1,0,1]=3 145 B15R2.1435 CC1Cc2ccccc2N1CCON Amb25348266 [0,0,0,1,0,0|1,0,1]=3 146 B15R2.1435 Cc1cc2ccccc2[n]1CCC#C Amb25283611 [0,0,0,1,0,0|1,0,2]=4 147 B15R2.1435 ClCCCN1C(C)Cc2c1cccc2 Amb17339429 [0,0,0,1,0,0|1,0,1]=3 148 B15R2.1435 N#CCCN1C(=O)Oc2ccccc12 Amb18329835 [0,0,0,1,0,0|2,0,1]=4 149 B15R2.1435 N#CCCN1C(=O)Sc2ccccc12 Amb20655402 [0,0,0,1,0,0|2,0,1]=4 150 B15R2.1435 N#CCCN1C(=S)Oc2ccccc12 Amb19519908 [0,0,0,1,0,0|2,0,1]=4 151 B15R2.1435 N#CCCn1c(=O)oc2c1cccc2 Amb2230051 [0,0,0,1,0,0|2,0,1]=4 152 B15R2.1435 N#CCCn1c(C)nc2c1cccc2 Amb1760922 [0,0,0,1,0,0|1,0,1]=3 153 B15R2.1435 N#CCCn1c(S)nc2c1cccc2 Amb1151846 [0,0,0,1,0,0|2,0,1]=4 154 B15R2.1435 Nc1[n]c2ccccc2[n]1CCC#N Amb18649359 [0,0,0,1,0,0|2,0,1]=4 155 B15R2.1690 N#CC1CN1C(=O)Nc2ccccc2 Amb2429264 [0,0,0,1,0,0|2,0,1]=4 156 B15R2.2077 N#CC1CCC1(O)Nc2ccccc2 Amb24526653 [0,0,0,1,0,0|3,0,0]=4 157 B15R2.2167 C(C1CCCCCN1)c2ccccc2 Amb22473463 [0,0,0,1,0,0|1,0,1]=3 158 B15R2.2167 C1CCNC(CC1)Cc2ccccn2 Amb2237254 [0,0,0,1,0,0|2,0,1]=4 159 B15R2.2167 C1CCNC(CN1)Cc2ccccc2 Amb17578545 [0,0,0,1,0,0|0,0,2]=3 160 B15R2.2167 C1NCCCCC1Cc2ccccc2 Amb25167909 [0,0,0,1,0,0|1,0,2]=4 161 B15R2.2167 C1NCCCOC1Cc2ccccc2 Amb25246997 [0,0,0,1,0,0|1,0,2]=4 162 B15R2.2167 C1SCCCNC1Cc2ccccc2 Amb25041594 [0,0,0,1,0,0|1,0,1]=3 163 B15R2.2203 C#CCCNC1Cc2ccccc2C1 Amb24650814 [0,0,0,1,0,0|1,0,0]=2 164 B15R2.2203 C#CCNCC1Cc2ccccc2C1 Amb25750699 [0,0,0,1,0,0|3,0,0]=4 165 B15R2.2203 CC#CCNC1Cc2ccccc2C1 Amb25287884 [0,0,0,1,0,0|1,0,1]=3 166 B15R2.2203 C\C=C\CNC1Cc2ccccc2C1 Amb24425158 [0,0,0,1,0,0|1,0,2]=4 167 B15R2.2203 N#CCCCN1Cc2c(C1)cccc2 Amb17480642 [0,0,0,1,0,0|2,0,0]=3 168 B15R2.2203 N#CCCNc1[n]c2ccccc2o1 Amb18649575 [0,0,0,1,0,0|2,0,1]=4 169 B15R2.2203 N#CCCNc1nc2c(s1)cccc2 Amb16203699 [0,0,0,1,0,0|2,0,1]=4 170 B15R2.2203 N#CCNCC1Cc2ccccc2O1 Amb18971196 [0,0,0,1,0,0|3,0,0]=4 171 B15R2.2280 C[C@H]1NC[C@H](CC)[C@@H]1c2ccccc2 Amb25194666 [0,0,0,1,0,0|1,0,1]=3 172 B15R2.4392 CC1CC(CCO)c2ccccc2C1 Amb24466197 [0,0,0,1,0,0|2,0,1]=4 173 B15R2.4392 CC1Cc2ccccc2C(CCN)N1 Amb25664186 [0,0,0,1,0,0|0,0,2]=3 174 B15R2.4392 CC1Cc2ccccc2N(CC#C)C1 Amb24526971 [0,0,0,1,0,0|3,0,0]=4 175 B15R2.4392 N#CCN1CC(C)Oc2c1cccc2 Amb17307942 [0,0,0,1,0,0|3,0,0]=4 176 B15R2.7956 CC1(CNCCN1)Cc2ccccc2 Amb24729596 [0,0,0,1,0,0|2,0,0]=3 177 B15R2.7956 CC1(COCCN1)Cc2ccccc2 Amb24606577 [0,0,0,1,0,0|2,0,0]=3 178 B15R2.7956 CC1(Cc2ccccc2)NCCCN1 Amb25312227 [0,0,0,1,0,0|0,0,2]=3 179 B13R1.24 C#CCCNC(=O)c1ccccc1 Amb21939996 [0,0,0,0,1,0|2,0,1]=4 180 B13R1.24 C=CCCNC(c1ccccc1)C Amb10568493 [0,0,0,0,1,0|1,0,1]=3 181 B13R1.24 CC#CCNC(C)c1c[n]ccc1 Amb18183864 [0,0,0,0,1,0|2,0,1]=4 182 B13R1.24 CC#CCNC(C)c1cc[n]cc1 Amb18804161 [0,0,0,0,1,0|2,0,1]=4 183 B13R1.24 CC#CCNC(C)c1cccc[n]1 Amb18804162 [0,0,0,0,1,0|2,0,1]=4 184 B13R1.24 CC#CCNC(C)c1ccccc1 Amb18183770 [0,0,0,0,1,0|1,0,1]=3 185 B13R1.24 CC#CCN[C@@H](C)c1c[n]ccc1 Amb24489255 [0,0,0,0,1,0|2,0,1]=4 186 B13R1.24 CC#CCN[C@@H](C)c1cc[n]cc1 Amb25798806 [0,0,0,0,1,0|2,0,1]=4 187 B13R1.24 CC#CCN[C@@H](C)c1cccc[n]1 Amb25310867 [0,0,0,0,1,0|2,0,1]=4 188 B13R1.24 CC#CCN[C@@H](C)c1ccccc1 Amb25815428 [0,0,0,0,1,0|1,0,1]=3 189 B13R1.24 CC#CCN[C@H](C)c1cc[n]cc1 Amb24709644 [0,0,0,0,1,0|2,0,1]=4 190 B13R1.24 CC#CCN[C@H](C)c1cccc[n]1 Amb25108880 [0,0,0,0,1,0|2,0,1]=4 191 B13R1.24 CC#CCSC(C)c1ccccc1 Amb25077761 [0,0,0,0,1,0|2,0,1]=4 192 B13R1.24 CC(NCCCO)c1c[n]ccc1 Amb21880109 [0,0,0,0,1,0|2,0,1]=4 193 B13R1.24 CC(NCCCO)c1cccc[n]1 Amb22283685 [0,0,0,0,1,0|2,0,1]=4 194 B13R1.24 CNCCNC(C)c1ccccc1 Amb18648173 [0,0,0,0,1,0|2,0,0]=3 195 B13R1.24 N#CCCNC(=O)c1cccc[n]1 Amb18185874 [0,0,0,0,1,0|2,0,1]=4 196 B13R1.24 N#CCCNC(=O)c1ccccc1 Amb17400429 [0,0,0,0,1,0|1,0,1]=3 197 B13R1.24 N#CCCNC(=O)c1cccnc1 Amb17400486 [0,0,0,0,1,0|2,0,1]=4 198 B13R1.24 N#CCCNC(=O)c1ccncc1 Amb10573746 [0,0,0,0,1,0|2,0,1]=4 199 B13R1.24 NCCCNC(c1ccccc1)C Amb17315288 [0,0,0,0,1,0|0,0,2]=3 200 B13R1.24 NCCCOC(c1ccccc1)C Amb1217768 [0,0,0,0,1,0|1,0,2]=4 201 B13R1.24 NCCCSC(c1ccccc1)C Amb17500696 [0,0,0,0,1,0|1,0,2]=4 202 B13R1.24 N\C(=N\CCC#N)\c1ccccc1 Amb25815391 [0,0,0,0,1,0|1,0,2]=4 203 B13R1.24 OCCCNC(c1ccccn1)C Amb1071370 [0,0,0,0,1,0|2,0,1]=4 204 B13R1.24 OCCCNC(c1cccnc1)C Amb1070102 [0,0,0,0,1,0|2,0,1]=4 205 B13R1.156 COCCNC(C)Cc1ccc[s]1 Amb18054012 [0,0,0,0,1,0|3,0,0]=4 206 B13R1.156 N#CCCNC(=O)Cc1cccs1 Amb17401899 [0,0,0,0,1,0|2,0,1]=4 207 B15R1.78 C#CCCNC(=O)NCc1ccccc1 Amb21942388 [0,0,0,0,0,1|2,0,1]=4 208 B15R1.78 C#CCCNC(=O)OCc1ccccc1 Amb22756878 [0,0,0,0,0,1|2,0,1]=4 209 B15R1.78 CC(CCCCBr)NCc1ccccc1 Amb25367798 [0,0,0,0,0,1|2,0,1]=4 210 B15R1.78 CC(CCCCN)OCc1ccccc1 Amb25309656 [0,0,0,0,0,1|1,0,2]=4 211 B15R1.78 CC(CCCCO)NCc1ccccc1 Amb24387545 [0,0,0,0,0,1|2,0,1]=4 212 B15R1.78 CC(CNCC#C)OCc1ccccc1 Amb24572236 [0,0,0,0,0,1|3,0,0]=4 213 B15R1.78 CC(COc1ccccc1)OCCCO Amb22641852 [0,0,0,0,0,1|2,0,1]=4 214 B15R1.78 CC(NCCC#N)CCc1ccccc1 Amb1805915 [0,0,0,0,0,1|0,0,0]=1 215 B15R1.78 CCCCC[C@H](C)NCc1ccccc1 Amb24666751 [0,0,0,0,0,1|2,0,1]=4 216 B15R1.78 CN(CCCC#N)OCc1ccccc1 Amb24202478 [0,0,0,0,0,1|2,0,0]=3 217 B15R1.78 COCCCC(C)NCc1ccccc1 Amb24414576 [0,0,0,0,0,1|3,0,0]=4 218 B15R1.78 N#CCCNC(=O)CSc1ccccc1 Amb11211739 [0,0,0,0,0,1|1,0,1]=3 219 B15R1.78 N#CCCNC(=O)OCc1ccccc1 Amb18654632 [0,0,0,0,0,1|1,0,1]=3 220 B12R1.8 BrCCCNCc1ccccc1 Amb18134994 [2,0,0,0,0,0|1,0,1]=4 221 B12R1.8 BrCCNCCc1ccncc1 Amb1030873 [2,0,0,0,0,0|2,0,0]=4 222 B12R1.8 C#CCNOCc1ccccc1 Amb25282219 [2,0,0,0,0,0|1,0,1]=4 223 B12R1.8 C#CCONCc1ccccc1 Amb24444637 [2,0,0,0,0,0|2,0,0]=4 224 B12R1.8 C=CCCCCc1ccccc1 Amb19930233 [2,0,0,0,0,0|1,0,1]=4 225 B12R1.8 C=CCNCCc1ccccc1 Amb2119614 [2,0,0,0,0,0|0,0,2]=4 226 B12R1.8 CC#CCNCc1ccccc1 Amb10233665 [2,0,0,0,0,0|1,0,1]=4 227 B12R1.8 CCCNCCc1ccccc1 Amb2119486 [2,0,0,0,0,0|0,0,1]=3 228 B12R1.8 CNCCCCc1ccccc1 Amb10068774 [2,0,0,0,0,0|2,0,0]=4 229 B12R1.8 CSCCNCc1ccccc1 Amb18187025 [2,0,0,0,0,0|2,0,0]=4 230 B12R1.8 ClCCCCCc1ccccc1 Amb10808064 [2,0,0,0,0,0|1,0,1]=4 231 B12R1.8 ClCCCNCc1ccccc1 Amb10766327 [2,0,0,0,0,0|1,0,1]=4 232 B12R1.8 Cl[Zn]CCCCc1ccccc1 Amb22897864 [2,0,0,0,0,0|2,0,0]=4 233 B12R1.8 N#CCCCNc1cc[n]cc1 Amb25669722 [2,0,0,0,0,0|2,0,0]=4 234 B12R1.8 N#CCCCOc1cccc[n]1 Amb19374567 [2,0,0,0,0,0|2,0,0]=4 235 B12R1.8 N#CCCNCc1cccnc1 Amb1651452 [2,0,0,0,0,0|1,0,0]=3 236 B12R1.8 N#CCCNCc1ccncc1 Amb2278358 [2,0,0,0,0,0|1,0,0]=3 237 B12R1.8 N#CCCNNc1ccccc1 Amb17594020 [2,0,0,0,0,0|1,0,0]=3 238 B12R1.8 N#CCC\C=C\c1ccccc1 Amb18644947 [2,0,0,0,0,0|0,0,2]=4 239 B12R1.8 N#C\C=C\CCc1ccccc1 Amb17477529 [2,0,0,0,0,0|0,0,2]=4 240 B12R1.8 N#C\C=C\NCc1ccccc1 Amb25072771 [2,0,0,0,0,0|0,0,2]=4 241 B12R1.8 NCCCCCc1ccccc1 Amb18034503 [2,0,0,0,0,0|0,0,2]=4 242 B12R1.8 NCCCNCc1ccccc1 Amb17720405 [2,0,0,0,0,0|0,0,2]=4 243 B12R1.8 NCCNCCc1ccccc1 Amb1086596 [2,0,0,0,0,0|0,0,1]=3 244 B12R1.8 NCCNCCc1ccccc1 Amb22283881 [2,0,0,0,0,0|0,0,1]=3 245 B12R1.8 NCCOCCc1ccccc1 Amb19374389 [2,0,0,0,0,0|1,0,1]=4 246 B12R1.8 O=CCCCCc1ccccc1 Amb18798121 [2,0,0,0,0,0|1,0,1]=4 247 B12R1.8 OCCCNCc1ccccc1 Amb2221510 [2,0,0,0,0,0|1,0,1]=4 248 B12R1.8 OCCNCCc1cc[n]cc1 Amb22282674 [2,0,0,0,0,0|2,0,0]=4 249 B12R1.8 OCCNCCc1cc[n]cc1 Amb22282814 [2,0,0,0,0,0|2,0,0]=4 250 B12R1.8 OCCNCCc1ccccc1 Amb2119205 [2,0,0,0,0,0|1,0,0]=3 251 B12R1.8 OCCNCCc1ccncc1 Amb1028249 [2,0,0,0,0,0|2,0,0]=4 252 B12R1.8 SCCCNCc1ccccc1 Amb25751336 [2,0,0,0,0,0|1,0,1]=4 253 B12R1.32 BrCCC(Br)Cc1ccccc1 Amb23456171 [2,0,0,0,0,0|2,0,0]=4 254 B12R1.32 C#CCC(N)Cc1ccccc1 Amb18296094 [2,0,0,0,0,0|1,0,1]=4 255 B12R1.32 C#CCC(O)Cc1ccccc1 Amb18800362 [2,0,0,0,0,0|1,0,1]=4 256 B12R1.32 C#CC[C@@H](O)Cc1ccccc1 Amb24497745 [2,0,0,0,0,0|1,0,1]=4 257 B12R1.32 CC(CC#N)Sc1cc[n]cc1 Amb24673376 [2,0,0,0,0,0|2,0,0]=4 258 B12R1.32 CC(CC#N)Sc1cccc[n]1 Amb18180844 [2,0,0,0,0,0|2,0,0]=4 259 B12R1.32 CC(CC#N)Sc1ccccc1 Amb18795942 [2,0,0,0,0,0|1,0,0]=3 260 B12R1.32 CC(Cc1ccccc1)NC#N Amb18177707 [2,0,0,0,0,0|0,0,0]=2 261 B12R1.32 CC(Cc1ccccc1)NC=S Amb24635878 [2,0,0,0,0,0|1,0,1]=4 262 B12R1.32 CC(NCC)Cc1cnccn1 Amb1995172 [2,0,0,0,0,0|2,0,0]=4 263 B12R1.32 CC(Nc1ccccc1)CC#N Amb17138511 [2,0,0,0,0,0|1,0,0]=3 264 B12R1.32 CC(Oc1ccccc1)CC#N Amb17232369 [2,0,0,0,0,0|1,0,0]=3 265 B12R1.32 CCCC(C)Cc1c[n]ccc1 Amb24094032 [2,0,0,0,0,0|1,0,1]=4 266 B12R1.32 CCCC(C)Cc1ccccc1 Amb22224920 [2,0,0,0,0,0|0,0,1]=3 267 B12R1.32 CCCC(Cc1ccccc1)[NH3+] Amb10560244 [2,0,0,0,0,0|1,0,1]=4 268 B12R1.32 CCCC(N)Cc1ccccc1 Amb18180073 [2,0,0,0,0,0|1,0,1]=4 269 B12R1.32 CCNC(=S)Cc1ccccc1 Amb24066800 [2,0,0,0,0,0|1,0,1]=4 270 B12R1.32 CCNC(C)Cc1ccccc1 Amb18552940 [2,0,0,0,0,0|0,0,0]=2 271 B12R1.32 CCNC(C)Cc1ccccc1 Amb22055190 [2,0,0,0,0,0|0,0,0]=2 272 B12R1.32 CCNC(Cc1ccccn1)C Amb1995151 [2,0,0,0,0,0|1,0,0]=3 273 B12R1.32 CCSC(C)Nc1ccccc1 Amb24585828 [2,0,0,0,0,0|2,0,0]=4 274 B12R1.32 CN(CCBr)Cc1ccccc1 Amb24357900 [2,0,0,0,0,0|2,0,0]=4 275 B12R1.32 CN(CCCl)Cc1ccccc1 Amb19895292 [2,0,0,0,0,0|2,0,0]=4 276 B12R1.32 CN(CCF)Cc1ccccc1 Amb25318241 [2,0,0,0,0,0|2,0,0]=4 277 B12R1.32 CN(CCI)Cc1ccccc1 Amb25235494 [2,0,0,0,0,0|2,0,0]=4 278 B12R1.32 C[C@@H](CC#N)Nc1ccccc1 Amb25301483 [2,0,0,0,0,0|1,0,0]=3 279 B12R1.32 C[C@@H](CCO)Nc1ccccc1 Amb25124401 [2,0,0,0,0,0|2,0,0]=4 280 B12R1.32 C[C@@H](Cc1ccccc1)NC=O Amb24637855 [2,0,0,0,0,0|1,0,1]=4 281 B12R1.32 C[C@H](CC#N)Nc1ccccc1 Amb24459585 [2,0,0,0,0,0|1,0,0]=3 282 B12R1.32 C[C@H](CCO)Nc1ccccc1 Amb25324766 [2,0,0,0,0,0|2,0,0]=4 283 B12R1.32 C\C(\Cc1ccccc1)=C\C#N Amb24595292 [2,0,0,0,0,0|0,0,2]=4 284 B12R1.32 C\C(\NC#N)=N\c1ccccc1 Amb24577345 [2,0,0,0,0,0|1,0,1]=4 285 B12R1.32 N#CCC(=O)Cc1ccccc1 Amb17232286 [2,0,0,0,0,0|1,0,1]=4 286 B12R1.32 N#CCC(Cl)Sc1ccccc1 Amb24373160 [2,0,0,0,0,0|2,0,0]=4 287 B12R1.32 N#CCC(F)Cc1ccccc1 Amb25079148 [2,0,0,0,0,0|1,0,0]=3 288 B12R1.32 N#CC[C@H](O)Cc1ccccc1 Amb24386953 [2,0,0,0,0,0|1,0,0]=3 289 B12R1.32 N#CNC(=O)Cc1ccccc1 Amb25149956 [2,0,0,0,0,0|1,0,1]=4 290 B12R1.32 N=C(Cc1ccccc1)NC#N Amb25289104 [2,0,0,0,0,0|1,0,1]=4 291 B12R1.32 NCCC(Cc1ccccc1)C Amb17232439 [2,0,0,0,0,0|0,0,1]=3 292 B12R1.32 NCCC(Cc1ccccc1)O Amb17232552 [2,0,0,0,0,0|1,0,1]=4 293 B12R1.32 NCCC(Oc1ccccc1)C Amb17232556 [2,0,0,0,0,0|1,0,1]=4 294 B12R1.32 N[C@@H](CC#N)Cc1ccccc1 Amb24483888 [2,0,0,0,0,0|1,0,0]=3 295 B12R1.32 OC(Cc1ccccc1)CC#N Amb17232368 [2,0,0,0,0,0|1,0,0]=3 296 B12R1.32 OCCC(Cc1ccccc1)C Amb17232486 [2,0,0,0,0,0|1,0,0]=3 297 B12R1.32 OCCC(O)Cc1ccccc1 Amb22491209 [2,0,0,0,0,0|2,0,0]=4 298 B12R1.32 OCCC(Oc1ccccc1)C Amb17232598 [2,0,0,0,0,0|2,0,0]=4 299 B12R1.32 SCCN(Cc1ccccc1)C Amb13881720 [2,0,0,0,0,0|2,0,0]=4 300 B14R1.14 CCCCNCCc1ccc(Br)cc1 Amb18053697 [1,1,0,0,0,0|1,0,1]=4 301 B14R1.14 COCCNCCc1ccc(Br)cc1 Amb18053716 [1,1,0,0,0,0|2,0,0]=4 302 B14R1.14 COCCNCCc1ccc(Cl)cc1 Amb20172929 [1,1,0,0,0,0|2,0,0]=4 303 B14R1.14 N#CCCCCOc1ccc(F)cc1 Amb19079310 [1,1,0,0,0,0|2,0,0]=4 304 B14R1.14 N#CCCCCOc1ccc(cc1)C Amb17210546 [1,1,0,0,0,0|2,0,0]=4 305 B14R1.14 N#CCCCCOc1ccc(cc1)Cl Amb17210548 [1,1,0,0,0,0|2,0,0]=4 306 B14R1.14 N#CCCN\N=C\c1ccc(cc1)C Amb16237847 [1,1,0,0,0,0|1,0,1]=4 307 B14R1.14 NCCCNCCc1ccc(cc1)F Amb17315308 [1,1,0,0,0,0|0,0,2]=4 308 B14R1.14 Nc1ccc(CCNCCCO)cc1 Amb18050943 [1,1,0,0,0,0|1,0,1]=4 309 B14R1.14 OCCCNCCc1ccc(cc1)F Amb17317888 [1,1,0,0,0,0|1,0,1]=4 310 B14R1.26 CCCCNCCc1cccc(Br)c1 Amb18053729 [1,1,0,0,0,0|1,0,1]=4 311 B14R1.26 CCCCNCCc1cccc(N)c1 Amb18550381 [1,1,0,0,0,0|1,0,1]=4 312 B14R1.26 COCCNCCc1cccc(Br)c1 Amb18053754 [1,1,0,0,0,0|2,0,0]=4 313 B14R1.26 COCCNCCc1cccc(N)c1 Amb18050453 [1,1,0,0,0,0|2,0,0]=4 314 B14R1.26 N#CCCCCOc1cccc(F)c1 Amb18330373 [1,1,0,0,0,0|2,0,0]=4 315 B14R1.26 N#CCCCCOc1cccc(c1)C Amb17210545 [1,1,0,0,0,0|2,0,0]=4 316 B14R1.26 Nc1cc(CCNCCCO)ccc1 Amb18550371 [1,1,0,0,0,0|1,0,1]=4 317 B14R1.38 CCCCNCC(c1ccccc1)C Amb2119259 [1,1,0,0,0,0|1,0,1]=4 318 B14R1.123 C#CCCCCNCc1ccccc1 Amb24520983 [1,1,0,0,0,0|2,0,0]=4 319 B14R1.123 C#CCCCNOCc1ccccc1 Amb25068515 [1,1,0,0,0,0|2,0,0]=4 320 B14R1.123 C#CCCNCC#Cc1ccccc1 Amb24685915 [1,1,0,0,0,0|1,0,1]=4 321 B14R1.123 CCCCCNCCc1ccccc1 Amb2119505 [1,1,0,0,0,0|1,0,1]=4 322 B14R1.123 CCCCNCCCc1ccccc1 Amb10559435 [1,1,0,0,0,0|1,0,1]=4 323 B14R1.123 CCCCNCCNc1ccccc1 Amb19050862 [1,1,0,0,0,0|1,0,1]=4 324 B14R1.123 CCCCNCCOc1ccccc1 Amb17235713 [1,1,0,0,0,0|1,0,1]=4 325 B14R1.123 CCNCCNCCc1ccccc1 Amb20140447 [1,1,0,0,0,0|1,0,1]=4 326 B14R1.123 CNCCCNCCc1ccccc1 Amb2120498 [1,1,0,0,0,0|0,0,2]=4 327 B14R1.123 COCCNCCNc1ccccc1 Amb19062920 [1,1,0,0,0,0|2,0,0]=4 328 B14R1.123 COCCNCCOc1ccccc1 Amb10608623 [1,1,0,0,0,0|2,0,0]=4 329 B14R1.123 COCCNCCOc1ccccc1 Amb1243497 [1,1,0,0,0,0|2,0,0]=4 330 B14R1.123 COCCNCCOc1ccccc1 Amb22587632 [1,1,0,0,0,0|2,0,0]=4 331 B14R1.123 N#CCCCCNCc1ccccc1 Amb19077443 [1,1,0,0,0,0|1,0,0]=3 332 B14R1.123 N#CCCCCOCc1ccccc1 Amb19060563 [1,1,0,0,0,0|1,0,0]=3 333 B14R1.123 N#CCCCNOCc1ccccc1 Amb25037557 [1,1,0,0,0,0|1,0,0]=3 334 B14R1.123 N#CCCOC\C=C\c1ccccc1 Amb24113652 [1,1,0,0,0,0|1,0,1]=4 335 B14R1.123 N#CCOCCNCc1ccccc1 Amb18111775 [1,1,0,0,0,0|2,0,0]=4 336 B14R1.123 NCCCNCCCc1ccccc1 Amb19050820 [1,1,0,0,0,0|0,0,2]=4 337 B14R1.123 NCCCNCCOc1ccccc1 Amb19080348 [1,1,0,0,0,0|0,0,2]=4 338 B14R1.156 CC(CCC#N)NCc1ccccc1 Amb24356115 [1,1,0,0,0,0|2,0,0]=4 339 B14R1.156 CCCCN(C)CCc1ccccc1 Amb22476539 [1,1,0,0,0,0|1,0,1]=4 340 B14R1.156 CN(CCC#N)CCc1ccncc1 Amb17120844 [1,1,0,0,0,0|1,0,0]=3 341 B14R1.156 ClCCCN(CCc1ccccc1)C Amb17339771 [1,1,0,0,0,0|1,0,1]=4 342 B14R1.156 N#CCCC(=O)NCc1ccccc1 Amb17335974 [1,1,0,0,0,0|2,0,0]=4 343 B14R1.156 N#CCCC(=O)OCc1ccccc1 Amb17336070 [1,1,0,0,0,0|2,0,0]=4 344 B14R1.156 OCCCN(CCc1ccccc1)C Amb17336737 [1,1,0,0,0,0|1,0,1]=4 345 B14R1.422 CN(CCNCCc1ccccc1)C Amb1136705 [1,1,0,0,0,0|2,0,0]=4 346 B14R1.422 NC(=O)CCNCCc1ccccc1 Amb22587630 [1,1,0,0,0,0|0,0,2]=4 347 B14R1.422 OC(=O)CCNCCc1ccccc1 Amb1111405 [1,1,0,0,0,0|1,0,1]=4 348 B14R1.422 OC(=O)CCNCCc1ccccc1 Amb13952728 [1,1,0,0,0,0|1,0,1]=4 349 B14R1.520 CC(CC#N)NOCc1ccccc1 Amb25380912 [1,1,0,0,0,0|1,0,0]=3 350 B14R1.520 CC(CCN)NCCc1ccccc1 Amb20090493 [1,1,0,0,0,0|0,0,2]=4 351 B14R1.520 N#CCC(=O)OCCc1ccccc1 Amb17210534 [1,1,0,0,0,0|1,0,1]=4 352 B14R1.520 N#CCC(O)COCc1ccccc1 Amb25068479 [1,1,0,0,0,0|2,0,0]=4 353 B14R1.520 N=C(NCCc1ccccc1)NC#N Amb24727104 [1,1,0,0,0,0|1,0,1]=4 354 B14R1.716 CC(CNOCc1ccccc1)C#N Amb25689965 [1,1,0,0,0,0|1,0,0]=3 355 B14R1.716 N#CC(O)CCCCc1ccccc1 Amb22228849 [1,1,0,0,0,0|1,0,0]=3 356 B14R1.716 N#CC(O)CCOCc1ccccc1 Amb25236460 [1,1,0,0,0,0|2,0,0]=4 357 B14R1.716 NCC(CNCCc1ccccc1)O Amb10811138 [1,1,0,0,0,0|0,0,2]=4 358 B14R1.716 NCC(O)CNCCc1ccccc1 Amb21953920 [1,1,0,0,0,0|0,0,2]=4 359 B14R1.882 Cc1ccccc1CCNCCCC Amb19078681 [1,1,0,0,0,0|1,0,1]=4 360 B14R1.882 Cc1ccccc1CCNCCOC Amb19062020 [1,1,0,0,0,0|2,0,0]=4 361 B14R1.882 N#CCCCCOc1ccccc1C Amb17210547 [1,1,0,0,0,0|2,0,0]=4 362 B14R1.882 N#CCCCCOc1ccccc1F Amb19079309 [1,1,0,0,0,0|2,0,0]=4 363 B14R1.33 CC(Cc1ccc(N)cc1)NCC=C Amb18550321 [1,1,0,0,0,0|0,0,2]=4 364 B14R1.33 CC(Cc1ccc(N)cc1)NCCO Amb18550311 [1,1,0,0,0,0|1,0,0]=3 365 B14R1.33 CCCNC(C)Cc1ccc(N)cc1 Amb18050881 [1,1,0,0,0,0|0,0,1]=3 366 B14R1.33 Cc1ccc(cc1)NC(C)CCC#N Amb24607967 [1,1,0,0,0,0|1,0,0]=3 367 B14R1.33 N#CCCN(Cc1ccc(nc1)Cl)C Amb2420222 [1,1,0,0,0,0|2,0,0]=4 368 B14R1.33 Nc1ccc(CC(=O)NCC#N)cc1 Amb18973856 [1,1,0,0,0,0|1,0,1]=4 369 B14R1.34 CC(Cc1cccc(Cl)c1)NCCN Amb25387187 [1,1,0,0,0,0|0,0,1]=3 370 B14R1.34 CCCNC(C)Cc1cc(Br)ccc1 Amb18053864 [1,1,0,0,0,0|0,0,1]=3 371 B14R1.34 Cc1cc(CC(=O)NCC#N)ccc1 Amb19071626 [1,1,0,0,0,0|1,0,1]=4 372 B14R1.34 N#CCNC(=O)Cc1cccc(Cl)c1 Amb24510484 [1,1,0,0,0,0|1,0,1]=4 373 B14R1.34 N#CCNC(=O)Cc1cccc(F)c1 Amb19050445 [1,1,0,0,0,0|1,0,1]=4 374 B14R1.34 N#CCNC(=O)Cc1cccc(O)c1 Amb19040842 [1,1,0,0,0,0|1,0,1]=4 375 B14R1.60 C#CCN(C(Cc1cccnc1)C)C Amb17608604 [1,1,0,0,0,0|1,0,1]=4 376 B14R1.60 CC(Cc1ccccc1)N(C)CC#C Amb22730039 [1,1,0,0,0,0|0,0,1]=3 377 B14R1.60 CC(N(Cc1ccccc1)C)CC#N Amb17336026 [1,1,0,0,0,0|1,0,0]=3 378 B14R1.60 CC(N(Cc1ccncc1)C)CC#N Amb17336143 [1,1,0,0,0,0|2,0,0]=4 379 B14R1.60 CN(C(=O)Cc1ccccc1)CC#N Amb17401182 [1,1,0,0,0,0|1,0,1]=4 380 B14R1.60 C[C@@H](Cc1ccccc1)N(C)CC#C Amb19131588 [1,1,0,0,0,0|0,0,1]=3 381 B14R1.60 C[C@@H](Cc1ccccc1)N(C)CC#C Amb22337571 [1,1,0,0,0,0|0,0,1]=3 382 B14R1.60 N#CCC(N(Cc1ccccn1)C)C Amb17336141 [1,1,0,0,0,0|2,0,0]=4 383 B14R1.60 N#CCC(N(Cc1cccnc1)C)C Amb17336142 [1,1,0,0,0,0|2,0,0]=4 384 B14R1.166 C#CCNC(C(c1ccccc1)O)C Amb1078314 [1,1,0,0,0,0|0,0,1]=3 385 B14R1.166 CC(C(=O)NCC#N)c1ccccc1 Amb24718850 [1,1,0,0,0,0|1,0,1]=4 386 B14R1.166 CC(CC#CC)C(O)c1ccccc1 Amb25272424 [1,1,0,0,0,0|1,0,1]=4 387 B14R1.166 CC(NCC#C)C(O)c1ccccc1 Amb22283761 [1,1,0,0,0,0|0,0,1]=3 388 B14R1.166 CC(NCC=C)C(O)c1ccccc1 Amb18092962 [1,1,0,0,0,0|0,0,2]=4 389 B14R1.166 CC(NCCC)C(O)c1ccccc1 Amb18604509 [1,1,0,0,0,0|0,0,1]=3 390 B14R1.166 CC(\C=C\C#N)C(O)c1ccccc1 Amb24675508 [1,1,0,0,0,0|0,0,2]=4 391 B14R1.166 CCCNC(C(=O)c1ccccc1)C Amb17619593 [1,1,0,0,0,0|0,0,2]=4 392 B14R1.166 C[C@H](\C=C\C#N)[C@@H](O)c1ccccc1 Amb24448032 [1,1,0,0,0,0|0,0,2]=4 393 B14R1.166 N#CCCC(F)C(=O)c1ccccc1 Amb24070265 [1,1,0,0,0,0|1,0,1]=4 394 B14R1.166 N#CCCN(C(c1ccccc1)C)C Amb17336029 [1,1,0,0,0,0|1,0,0]=3 395 B14R1.166 N#CCNC(=O)C(O)c1ccccc1 Amb24462473 [1,1,0,0,0,0|1,0,1]=4 396 B14R1.166 NC(C(=O)NCC#N)c1ccccc1 Amb18973855 [1,1,0,0,0,0|1,0,1]=4 397 B14R1.166 N[C@@H](C(=O)NCC#N)c1ccccc1 Amb19040477 [1,1,0,0,0,0|1,0,1]=4 398 B14R1.423 CC(C)NNC(C)Cc1ccccc1 Amb22446427 [1,1,0,0,0,0|1,0,1]=4 399 B14R1.743 BrCC(=O)NC(Cc1ccccc1)C Amb17333679 [1,1,0,0,0,0|1,0,1]=4 400 B14R1.743 CC(Cc1ccccc1)NC(=O)CN Amb19036468 [1,1,0,0,0,0|0,0,2]=4 401 B14R1.743 CC(NC(=O)Cc1ccccc1)C#N Amb17401177 [1,1,0,0,0,0|1,0,1]=4 402 B14R1.743 NN(CC(Cl)C#N)Cc1ccccc1 Amb24383155 [1,1,0,0,0,0|2,0,0]=4 403 B14R1.946 Cc1ccccc1CC(=O)NCC#N Amb19059789 [1,1,0,0,0,0|1,0,1]=4 404 B14R1.946 N#CCNC(=O)Cc1ccccc1F Amb19050446 [1,1,0,0,0,0|1,0,1]=4 405 B14R1.4528 CC(C)(NCCO)Oc1ccccc1 Amb22231022 [1,1,0,0,0,0|2,0,0]=4 406 B14R1.4528 N#CCCS(=O)(=O)Cc1ccccc1 Amb17502475 [1,1,0,0,0,0|2,0,0]=4 407 B14R1.19 CC#CCNC(C)c1ccc(Br)cc1 Amb25183230 [0,1,0,0,1,0|1,0,1]=4 408 B14R1.19 CC#CCNC(C)c1ccc(Cl)cc1 Amb25321644 [0,1,0,0,1,0|1,0,1]=4 409 B14R1.19 CC#CCNC(C)c1ccc(F)cc1 Amb19073355 [0,1,0,0,1,0|1,0,1]=4 410 B14R1.19 CC#CCNC(C)c1ccc(O)cc1 Amb24374429 [0,1,0,0,1,0|1,0,1]=4 411 B14R1.19 CC#CCN[C@@H](C)c1ccc(Cl)cc1 Amb24555887 [0,1,0,0,1,0|1,0,1]=4 412 B14R1.19 CC#CCN[C@H](C)c1ccc(Br)cc1 Amb25165548 [0,1,0,0,1,0|1,0,1]=4 413 B14R1.19 CC#CCN[C@H](C)c1ccc(Cl)cc1 Amb25308582 [0,1,0,0,1,0|1,0,1]=4 414 B14R1.19 Cc1ccc(cc1)C(C)NCC#CC Amb19071022 [0,1,0,0,1,0|1,0,1]=4 415 B14R1.19 Cc1ccc(cc1)[C@H](C)NCC#CC Amb24640050 [0,1,0,0,1,0|1,0,1]=4 416 B14R1.19 N#CCCNC(=O)c1ccc(I)cc1 Amb24703080 [0,1,0,0,1,0|1,0,1]=4 417 B14R1.19 N#CCCNC(=O)c1ccc(O)cc1 Amb19072882 [0,1,0,0,1,0|1,0,1]=4 418 B14R1.19 N#CCCNC(=O)c1ccc(cc1)C Amb10810127 [0,1,0,0,1,0|1,0,1]=4 419 B14R1.19 N#CCCNC(=O)c1ccc(cc1)Cl Amb17403778 [0,1,0,0,1,0|1,0,1]=4 420 B14R1.19 N#CCCNC(=O)c1ccc(cc1)F Amb17401612 [0,1,0,0,1,0|1,0,1]=4 421 B14R1.20 CC#CCNC(C)c1cccc(Br)c1 Amb24640928 [0,1,0,0,1,0|1,0,1]=4 422 B14R1.20 CC#CCNC(C)c1cccc(F)c1 Amb19073357 [0,1,0,0,1,0|1,0,1]=4 423 B14R1.20 CC#CCN[C@@H](C)c1cccc(F)c1 Amb25181417 [0,1,0,0,1,0|1,0,1]=4 424 B14R1.20 CC#CCN[C@@H](C)c1cccc(O)c1 Amb25048157 [0,1,0,0,1,0|1,0,1]=4 425 B14R1.20 CC#CCN[C@H](C)c1cccc(F)c1 Amb25337364 [0,1,0,0,1,0|1,0,1]=4 426 B14R1.20 N#CCCNC(=O)c1cccc(I)c1 Amb24703081 [0,1,0,0,1,0|1,0,1]=4 427 B14R1.20 N#CCCNC(=O)c1cccc(O)c1 Amb19078140 [0,1,0,0,1,0|1,0,1]=4 428 B14R1.20 N#CCCNC(=O)c1cccc(c1)Br Amb17413930 [0,1,0,0,1,0|1,0,1]=4 429 B14R1.20 N#CCCNC(=O)c1cccc(c1)Cl Amb17403777 [0,1,0,0,1,0|1,0,1]=4 430 B14R1.20 N#CCCNC(=O)c1cccc(c1)F Amb17401611 [0,1,0,0,1,0|1,0,1]=4 431 B14R1.29 CC(CC#N)NC(=O)c1ccccc1 Amb19077190 [0,1,0,0,1,0|1,0,1]=4 432 B14R1.29 CC(NC(C)CCN)c1ccccc1 Amb20090497 [0,1,0,0,1,0|0,0,2]=4 433 B14R1.29 CC(N[C@H](C)c1ccccc1)=NC#N Amb22482377 [0,1,0,0,1,0|1,0,1]=4 434 B14R1.29 CC(N\C(\N)=C\C#N)c1ccccc1 Amb25312050 [0,1,0,0,1,0|0,0,2]=4 435 B14R1.46 CC#CCNC(C)(C)c1ccccc1 Amb25134947 [0,1,0,0,1,0|1,0,1]=4 436 B14R1.46 N#CCCNS(=O)(=O)c1ccccc1 Amb17403986 [0,1,0,0,1,0|2,0,0]=4 437 B14R1.121 CNCCNC(CC)c1ccccc1 Amb19966343 [0,1,0,0,1,0|2,0,0]=4 438 B14R1.163 CC(CNC(=O)c1ccccc1)C#N Amb18327633 [0,1,0,0,1,0|1,0,1]=4 439 B14R1.163 N#CC(Cl)CNC(=O)c1ccccc1 Amb25081095 [0,1,0,0,1,0|1,0,1]=4 440 B14R1.420 CC(NCCC(N)=O)c1ccccc1 Amb24273095 [0,1,0,0,1,0|0,0,2]=4 441 B14R1.420 CC(c1ccccc1)NCCC(=O)O Amb2372473 [0,1,0,0,1,0|1,0,1]=4 442 B14R1.1035 CC#CCNC(C)c1ccccc1Br Amb24753632 [0,1,0,0,1,0|1,0,1]=4 443 B14R1.1035 CC#CCNC(C)c1ccccc1F Amb19073356 [0,1,0,0,1,0|1,0,1]=4 444 B14R1.1035 CC#CCNC(C)c1ccccc1I Amb24458428 [0,1,0,0,1,0|1,0,1]=4 445 B14R1.1035 CC#CCNC(C)c1ccccc1O Amb25139128 [0,1,0,0,1,0|1,0,1]=4 446 B14R1.1035 CC#CCN[C@@H](C)c1ccccc1Cl Amb25045940 [0,1,0,0,1,0|1,0,1]=4 447 B14R1.1035 CC#CCN[C@H](C)c1ccccc1Br Amb25108929 [0,1,0,0,1,0|1,0,1]=4 448 B14R1.1035 CC#CCN[C@H](C)c1ccccc1Cl Amb25165296 [0,1,0,0,1,0|1,0,1]=4 449 B14R1.1035 CC#CCN[C@H](C)c1ccccc1F Amb25716119 [0,1,0,0,1,0|1,0,1]=4 450 B14R1.1035 CNCCNC(C)c1ccccc1Cl Amb25387732 [0,1,0,0,1,0|2,0,0]=4 451 B14R1.1035 Cc1ccccc1C(C)NCC#CC Amb19071020 [0,1,0,0,1,0|1,0,1]=4 452 B14R1.1035 Cc1ccccc1[C@@H](C)NCC#CC Amb25067583 [0,1,0,0,1,0|1,0,1]=4 453 B14R1.1035 N#CCCNC(=O)c1ccccc1Br Amb17413929 [0,1,0,0,1,0|1,0,1]=4 454 B14R1.1035 N#CCCNC(=O)c1ccccc1Cl Amb17403776 [0,1,0,0,1,0|1,0,1]=4 455 B14R1.1035 N#CCCNC(=O)c1ccccc1F Amb17401610 [0,1,0,0,1,0|1,0,1]=4 456 B14R1.1035 N#CCCNC(=O)c1ccccc1O Amb19072883 [0,1,0,0,1,0|1,0,1]=4 457 B14R1.1035 Nc1ccccc1C(=O)NCCC#N Amb18973311 [0,1,0,0,1,0|1,0,1]=4 458 B16R1.51 N#CCCNC(=O)CSc1ccc(cc1)F Amb10277270 [0,1,0,0,0,1|1,0,1]=4 459 B16R1.688 CC(CCc1ccccc1)NCCCCO Amb25394200 [0,1,0,0,0,1|1,0,1]=4 460 B16R1.688 COCCNCC(C)NCc1ccccc1 Amb24517999 [0,1,0,0,0,1|2,0,0]=4 461 B16R1.688 N#CCCNCC(=O)NCc1ccccc1 Amb24504056 [0,1,0,0,0,1|1,0,1]=4 462 B16R1.1343 OCC(CNC(CCc1ccccc1)C)O Amb20613 [0,1,0,0,0,1|1,0,1]=4 463 B16R1.1516 CC(C(=O)NCC#N)SCc1ccccc1 Amb11206317 [0,1,0,0,0,1|2,0,0]=4 464 B16R1.1516 CN(C(=O)NCc1ccccc1)CCC#N Amb11952903 [0,1,0,0,0,1|1,0,1]=4 465 B16R1.1516 CN(CCC#N)C(=O)OCc1ccccc1 Amb24704571 [0,1,0,0,0,1|1,0,1]=4 466 B16R1.1570 C[C@@H](CC#N)NC(=O)OCc1ccccc1 Amb25365154 [0,1,0,0,0,1|1,0,1]=4 467 B16R1.1696 N#CCCNC(=O)CSc1ccccc1Br Amb10619484 [0,1,0,0,0,1|1,0,1]=4 468 B16R1.1696 N#CCCNC(=O)CSc1ccccc1Cl Amb10363745 [0,1,0,0,0,1|1,0,1]=4 469 B16R1.20527 N#CCCNS(=O)(=O)CCc1ccccc1 Amb17409895 [0,1,0,0,0,1|2,0,0]=4 470 B16R1.54 CC(Cc1ccc(F)cc1)NCCCCO Amb24779102 [0,2,0,0,0,0|1,0,1]=4 471 B16R1.54 CCCCCNC(C)Cc1ccc(N)cc1 Amb18550314 [0,2,0,0,0,0|1,0,1]=4 472 B16R1.54 CCOCCNC(C)Cc1ccc(F)cc1 Amb24779110 [0,2,0,0,0,0|1,0,1]=4 473 B16R1.54 COCCCNC(C)Cc1ccc(N)cc1 Amb18050877 [0,2,0,0,0,0|1,0,1]=4 474 B16R1.54 COCCCNC(Cc1ccc(cc1)F)C Amb10815261 [0,2,0,0,0,0|1,0,1]=4 475 B16R1.54 CSCCCNC(C)Cc1ccc(F)cc1 Amb24779133 [0,2,0,0,0,0|1,0,1]=4 476 B16R1.693 CCCCCCNC(C)Cc1ccccc1 Amb20222575 [0,2,0,0,0,0|1,0,1]=4 477 B16R1.705 CC(NCCCCC)C(O)c1ccccc1 Amb18604517 [0,2,0,0,0,0|1,0,1]=4 478 B16R1.705 CC(NCCCOC)C(O)c1ccccc1 Amb18092958 [0,2,0,0,0,0|1,0,1]=4 479 B16R1.1329 CC(C#N)NCCN(C)Cc1ccccc1 Amb25360068 [0,2,0,0,0,0|2,0,0]=4 480 B16R1.1329 CC(C#N)OCCN(C)Cc1ccccc1 Amb24736571 [0,2,0,0,0,0|2,0,0]=4 481 B16R1.1497 CC(CN(C)Cc1ccccc1)NCC#N Amb25125121 [0,2,0,0,0,0|2,0,0]=4 482 B16R1.1497 ClCCCC(=O)NC(Cc1ccccc1)C Amb17332905 [0,2,0,0,0,0|1,0,1]=4 483 B16R1.4621 CSCCCNC(C)Cc1ccccc1F Amb25396502 [0,2,0,0,0,0|1,0,1]=4 484 B16R1.61 CC(NCCCC)C(O)c1ccc(Cl)cc1 Amb18093544 [0,2,0,0,0,0|1,0,1]=4 485 B16R1.61 CC(NCCCC)C(O)c1ccc(F)cc1 Amb18093631 [0,2,0,0,0,0|1,0,1]=4 486 B16R1.61 CC(NCCCO)C(O)c1ccc(Cl)cc1 Amb18093538 [0,2,0,0,0,0|1,0,1]=4 487 B16R1.61 CC(NCCCO)C(O)c1ccc(F)cc1 Amb18093625 [0,2,0,0,0,0|1,0,1]=4 488 B16R1.61 CC(NCCOC)C(O)c1ccc(Cl)cc1 Amb18605024 [0,2,0,0,0,0|2,0,0]=4 489 B16R1.61 CC(NCCOC)C(O)c1ccc(F)cc1 Amb18093640 [0,2,0,0,0,0|2,0,0]=4 490 B16R1.61 CN(CCCC#N)C(C)c1ccc(F)cc1 Amb21184038 [0,2,0,0,0,0|2,0,0]=4 491 B16R1.61 Cc1ccc(cc1)C(O)C(C)NCCCC Amb18604620 [0,2,0,0,0,0|1,0,1]=4 492 B16R1.61 Cc1ccc(cc1)C(O)C(C)NCCCO Amb18604618 [0,2,0,0,0,0|1,0,1]=4 493 B16R1.61 Cc1ccc(cc1)C(O)C(C)NCCOC Amb18093160 [0,2,0,0,0,0|2,0,0]=4 494 B16R1.613 CC(C)CCNC(C)C(O)c1ccccc1 Amb18604543 [0,2,0,0,0,0|1,0,1]=4 495 B16R1.613 CC(NCCN(C)C)C(O)c1ccccc1 Amb18092990 [0,2,0,0,0,0|2,0,0]=4 496 B16R1.1244 CC(C(O)c1ccccc1)N(C)CCC#N Amb18133024 [0,2,0,0,0,0|0,0,0]=2 497 B16R1.1244 CC(C(O)c1ccccc1)N(C)CCC#N Amb24122677 [0,2,0,0,0,0|0,0,0]=2 498 B16R1.1420 CCC(NCCCO)C(O)c1ccccc1 Amb18604556 [0,2,0,0,0,0|1,0,1]=4 499 B16R1.1420 CCC(NCCOC)C(O)c1ccccc1 Amb18093014 [0,2,0,0,0,0|2,0,0]=4 500 B16R1.1420 CCCCNC(CC)C(O)c1ccccc1 Amb18604559 [0,2,0,0,0,0|1,0,1]=4 501 B16R1.658 CCCCN(C)C(C)Cc1ccc(N)cc1 Amb18050254 [0,2,0,0,0,0|1,0,1]=4 502 B16R1.658 CN(C(=O)CCC#N)Cc1ccc(cc1)C Amb17404580 [0,2,0,0,0,0|2,0,0]=4 503 B16R1.658 CN(C(=O)CCC#N)Cc1ccc(cc1)Cl Amb17409446 [0,2,0,0,0,0|2,0,0]=4 504 B16R1.658 CN(C(=O)CCC#N)Cc1ccc(cc1)F Amb17405484 [0,2,0,0,0,0|2,0,0]=4 505 B16R1.658 CN(C(=O)Cc1ccc(cc1)F)CCC#N Amb2326502 [0,2,0,0,0,0|1,0,1]=4 506 B16R1.658 CN(CCC#N)C(C)Cc1ccc(Cl)cc1 Amb19512414 [0,2,0,0,0,0|0,0,0]=2 507 B16R1.955 CC(Cc1ccc(Br)cc1)NC(C)COC Amb24777668 [0,2,0,0,0,0|2,0,0]=4 508 B16R1.1067 CC(C)CCNC(C)Cc1ccc(N)cc1 Amb18050933 [0,2,0,0,0,0|1,0,1]=4 509 B16R1.1067 CC(Cc1ccc(N)cc1)NCCC(O)=O Amb18050916 [0,2,0,0,0,0|1,0,1]=4 510 B16R1.1067 CN(C)CCNC(C)Cc1ccc(N)cc1 Amb18050923 [0,2,0,0,0,0|2,0,0]=4 511 B16R1.7382 CCc1ccc(CC(C)NCCCC)cc1 Amb18053928 [0,2,0,0,0,0|1,0,1]=4 512 B16R1.7382 CCc1ccc(CC(C)NCCOC)cc1 Amb18053980 [0,2,0,0,0,0|2,0,0]=4 513 B16R1.7382 CN(Cc1ccc(cc1)SC)CCCC#N Amb21174846 [0,2,0,0,0,0|2,0,0]=4 514 B16R1.7393 CCCCNC(C)Cc1cc(C)c(C)cc1 Amb18053927 [0,2,0,0,0,0|1,0,1]=4 515 B16R1.7393 CCCCNC(C)Cc1cc(Cl)c(Cl)cc1 Amb18053938 [0,2,0,0,0,0|1,0,1]=4 516 B16R1.7393 CCCCNC(C)Cc1cc(F)c(F)cc1 Amb18553046 [0,2,0,0,0,0|1,0,1]=4 517 B16R1.7393 COCCNC(C)Cc1cc(Cl)c(Cl)cc1 Amb18054007 [0,2,0,0,0,0|2,0,0]=4 518 B16R1.7393 COCCNC(C)Cc1cc(F)c(F)cc1 Amb18553115 [0,2,0,0,0,0|2,0,0]=4 519 B16R1.7393 Cc1cc(CC(C)NCCCC)ccc1Cl Amb18053934 [0,2,0,0,0,0|1,0,1]=4 520 B16R1.7393 Cc1cc(CC(C)NCCCC)ccc1F Amb18553037 [0,2,0,0,0,0|1,0,1]=4 521 B16R1.7393 Cc1cc(CC(C)NCCOC)ccc1Cl Amb18054005 [0,2,0,0,0,0|2,0,0]=4 522 B16R1.7393 Cc1cc(CC(C)NCCOC)ccc1F Amb18553106 [0,2,0,0,0,0|2,0,0]=4 523 B16R1.7393 Cc1ccc(CC(C)NCCOC)cc1C Amb18553083 [0,2,0,0,0,0|2,0,0]=4 524 B16R1.22955 CCCCNC(C)Cc1ccc(C)cc1C Amb18053932 [0,2,0,0,0,0|1,0,1]=4 525 B16R1.22955 CCCCNC(C)Cc1ccc(Cl)cc1Cl Amb18053929 [0,2,0,0,0,0|1,0,1]=4 526 B16R1.22955 CN(Cc1ccc(F)cc1F)CCCC#N Amb21568887 [0,2,0,0,0,0|2,0,0]=4 527 B16R1.22955 COCCNC(C)Cc1ccc(Cl)cc1Cl Amb18553088 [0,2,0,0,0,0|2,0,0]=4 528 B16R1.22955 Cc1cc(C)c(CC(C)NCCOC)cc1 Amb18054003 [0,2,0,0,0,0|2,0,0]=4 529 B16R1.659 CC(Cc1cccc(F)c1)C(=O)OCC#N Amb17923970 [0,2,0,0,0,0|2,0,0]=4 530 B16R1.659 N#CCCC(=O)N(Cc1cccc(c1)C)C Amb17404577 [0,2,0,0,0,0|2,0,0]=4 531 B16R1.659 N#CCCC(=O)N(Cc1cccc(c1)Cl)C Amb17409443 [0,2,0,0,0,0|2,0,0]=4 532 B16R1.1231 CCN(Cc1cccc(F)c1)CCCC#N Amb20754340 [0,2,0,0,0,0|2,0,0]=4 533 B16R1.7379 CCCCNC(C)Cc1cc(F)ccc1F Amb18553045 [0,2,0,0,0,0|1,0,1]=4 534 B16R1.7379 COCCNC(C)Cc1cc(F)ccc1F Amb18054032 [0,2,0,0,0,0|2,0,0]=4 535 B16R1.7389 CCCCNC(C)Cc1cc(ccc1)OC Amb18553026 [0,2,0,0,0,0|1,0,1]=4 536 B16R1.7389 CN(Cc1cccc(c1)C#N)CCCC#N Amb19434726 [0,2,0,0,0,0|2,0,0]=4 537 B16R1.7389 CN(Cc1cccc(c1)OC)CCCC#N Amb20783140 [0,2,0,0,0,0|2,0,0]=4 538 B16R1.7389 COc1cc(CC(C)NCCOC)ccc1 Amb18553094 [0,2,0,0,0,0|2,0,0]=4 539 B16R1.126 CCC(Cc1ccccc1)N(C)CCCO Amb22109127 [0,2,0,0,0,0|1,0,1]=4 540 B16R1.945 CC(C(=O)N(Cc1ccccc1)C)CC#N Amb17340606 [0,2,0,0,0,0|2,0,0]=4 541 B16R1.1127 CC(CC(=O)N(Cc1ccccc1)C)C#N Amb17340619 [0,2,0,0,0,0|2,0,0]=4 542 B16R1.7523 N#CCCC(=O)N(Cc1ccccc1C)C Amb17404574 [0,2,0,0,0,0|2,0,0]=4 543 B16R1.7523 N#CCCC(=O)N(Cc1ccccc1Cl)C Amb17409440 [0,2,0,0,0,0|2,0,0]=4 544 B16R1.7523 N#CCCC(=O)N(Cc1ccccc1F)C Amb17405481 [0,2,0,0,0,0|2,0,0]=4 545 B16R1.4235 CC(Cc1ccccc1Cl)NC(=O)CC#N Amb24294234 [0,2,0,0,0,0|0,0,1]=3 546 B16R1.4235 COCC(NC(Cc1ccccc1F)C)C Amb10815187 [0,2,0,0,0,0|2,0,0]=4 547 B16R1.4235 Cc1ccccc1CC(C)NC(C)COC Amb24777584 [0,2,0,0,0,0|2,0,0]=4 548 B16R1.4400 CCN(Cc1ccccc1)CCC(N)C#N Amb24726395 [0,2,0,0,0,0|2,0,0]=4 549 B16R1.7458 CC(CNC(=O)Cc1ccccc1O)C#N Amb22146022 [0,2,0,0,0,0|1,0,1]=4 550 B16R1.1438 C=CCC(Cc1ccccc1)NCCC=C Amb10572365 [0,2,0,0,0,0|1,0,1]=4 551 B16R1.1438 CCCN(Cc1ccccc1)CCCC#N Amb21174842 [0,2,0,0,0,0|2,0,0]=4 552 B16R1.1438 N#CCCCN(CCO)Cc1ccccc1 Amb25280372 [0,2,0,0,0,0|2,0,0]=4 553 B16R1.1759 N#CCCNC(C(=O)O)Cc1ccccc1 Amb1212343 [0,2,0,0,0,0|0,0,1]=3 554 B16R1.7414 Cc1ccccc1CC(C)NCCN(C)C Amb24272331 [0,2,0,0,0,0|2,0,0]=4 555 B14R2.3 CSCCN1CCc2ccccc12 Amb24476505 [1,0,0,1,0,0|2,0,0]=4 556 B14R2.3 ClCCCN1CCc2c1cccc2 Amb17337049 [1,0,0,1,0,0|1,0,1]=4 557 B14R2.3 N#CCCC1COc2ccccc21 Amb25312734 [1,0,0,1,0,0|2,0,0]=4 558 B14R2.3 N#CCCC1CSc2ccccc21 Amb24489758 [1,0,0,1,0,0|2,0,0]=4 559 B14R2.3 N#CCCn1ccc2c1cccc2 Amb1152503 [1,0,0,1,0,0|0,0,2]=4 560 B14R2.3 N#CCCn1cnc2c1cccc2 Amb1059578 [1,0,0,1,0,0|1,0,1]=4 561 B14R2.3 N#CCCn1nnc2c1cccc2 Amb2228188 [1,0,0,1,0,0|2,0,0]=4 562 B14R2.3 N#CCN[C@@H]1CCc2ccccc21 Amb25156400 [1,0,0,1,0,0|2,0,0]=4 563 B14R2.3 NCCCN1CCc2c1cccc2 Amb1108321 [1,0,0,1,0,0|0,0,2]=4 564 B14R2.3 NOCCN1CCc2c1cccc2 Amb17104862 [1,0,0,1,0,0|1,0,1]=4 565 B14R2.3 O=CCCN1CCc2ccccc12 Amb18178194 [1,0,0,1,0,0|1,0,1]=4 566 B14R2.3 SCCCN1CCc2ccccc12 Amb24489496 [1,0,0,1,0,0|1,0,1]=4 567 B14R2.3 [C-]#[N+]CCN1CCc2ccccc12 Amb19928690 [1,0,0,1,0,0|2,0,0]=4 568 B14R2.6 C(C1C=CCCN1)c2ccccc2 Amb18127112 [1,0,0,1,0,0|1,0,1]=4 569 B14R2.6 C(C1CCCCN1)c2ccccc2 Amb17659191 [1,0,0,1,0,0|1,0,1]=4 570 B14R2.6 C([C@@H]1CCCCN1)c2ccccc2 Amb22892828 [1,0,0,1,0,0|1,0,1]=4 571 B14R2.6 C1CCC(NC1)Cc2ccccc2 Amb1087934 [1,0,0,1,0,0|1,0,1]=4 572 B14R2.6 C1CCC(NC1)Cc2ccccc2 Amb2236228 [1,0,0,1,0,0|1,0,1]=4 573 B14R2.6 C1CNC(OC1)Cc2ccccc2 Amb17506195 [1,0,0,1,0,0|1,0,1]=4 574 B14R2.6 C1NCCNC1Cc2ccccc2 Amb20240950 [1,0,0,1,0,0|2,0,0]=4 575 B14R2.6 C1NCCN[C@@H]1Cc2ccccc2 Amb19515800 [1,0,0,1,0,0|2,0,0]=4 576 B14R2.6 C1NCCN[C@@H]1Cc2ccccc2 Amb22752072 [1,0,0,1,0,0|2,0,0]=4 577 B14R2.6 C1NCCN[C@@H]1Cc2ccccc2 Amb22752073 [1,0,0,1,0,0|2,0,0]=4 578 B14R2.6 C1OCCN[C@@H]1Cc2ccccc2 Amb20242985 [1,0,0,1,0,0|2,0,0]=4 579 B14R2.6 C1OCCN[C@@H]1Cc2ccccc2 Amb24077524 [1,0,0,1,0,0|2,0,0]=4 580 B14R2.6 C1OCCN[C@H]1Cc2ccccc2 Amb20242986 [1,0,0,1,0,0|2,0,0]=4 581 B14R2.6 C1OCCN[C@H]1Cc2ccccc2 Amb22226651 [1,0,0,1,0,0|2,0,0]=4 582 B14R2.6 C1SCCNC1Cc2ccccc2 Amb18565445 [1,0,0,1,0,0|2,0,0]=4 583 B14R2.6 C1SCCN[C@H]1Cc2ccccc2 Amb24627357 [1,0,0,1,0,0|2,0,0]=4 584 B14R2.6 N1CCNC(C1)Cc2ccccc2 Amb10068437 [1,0,0,1,0,0|2,0,0]=4 585 B14R2.6 N1CCN[C@H](C1)Cc2ccccc2 Amb15690734 [1,0,0,1,0,0|2,0,0]=4 586 B14R2.6 O1CCNC(C1)Cc2ccccc2 Amb10068897 [1,0,0,1,0,0|2,0,0]=4 587 B14R2.14 CCC1CNCC1c2ccccc2 Amb24563782 [1,0,0,1,0,0|1,0,1]=4 588 B14R2.14 COC1CNCC1c2ccccc2 Amb24496970 [1,0,0,1,0,0|2,0,0]=4 589 B14R2.14 CO[C@@H]1CNC[C@H]1c2ccccc2 Amb20241554 [1,0,0,1,0,0|2,0,0]=4 590 B14R2.14 N#CC1CCCN1c2ccccc2 Amb22496545 [1,0,0,1,0,0|2,0,0]=4 591 B14R2.14 N#CC1CCOC1c2ccccc2 Amb25304820 [1,0,0,1,0,0|2,0,0]=4 592 B14R2.14 N#CC1CNCC1c2cc[n]cc2 Amb24367714 [1,0,0,1,0,0|1,0,0]=3 593 B14R2.14 N#CC1CNCC1c2ccccc2 Amb23597889 [1,0,0,1,0,0|0,0,0]=2 594 B14R2.14 N#CC1NCCC1c2ccccc2 Amb25242558 [1,0,0,1,0,0|2,0,0]=4 595 B14R2.14 N#C[C@@H]1CNC[C@H]1c2c[n]ccc2 Amb24551023 [1,0,0,1,0,0|1,0,0]=3 596 B14R2.14 N#C[C@@H]1CNC[C@H]1c2ccccc2 Amb25175728 [1,0,0,1,0,0|0,0,0]=2 597 B14R2.14 NCC1CNCC1c2ccccc2 Amb18647992 [1,0,0,1,0,0|0,0,2]=4 598 B14R2.14 NC[C@@H]1CNC[C@H]1c2ccccc2 Amb19516314 [1,0,0,1,0,0|0,0,2]=4 599 B14R2.14 NC[C@@H]1CNC[C@H]1c2ccccc2 Amb24723283 [1,0,0,1,0,0|0,0,2]=4 600 B14R2.14 O=CC1CNCC1c2ccccc2 Amb25339180 [1,0,0,1,0,0|1,0,1]=4 601 B14R2.14 OC[C@@H]1CNC[C@H]1c2ccccc2 Amb22756588 [1,0,0,1,0,0|1,0,1]=4 602 B14R2.24 CN1CCNCC1c2ccccc2 Amb21954179 [1,0,0,1,0,0|2,0,0]=4 603 B14R2.24 CN1CCNCC1c2ccccc2 Amb22499001 [1,0,0,1,0,0|2,0,0]=4 604 B14R2.24 CN1CCNCC1c2ccccc2 Amb22586681 [1,0,0,1,0,0|2,0,0]=4 605 B14R2.24 FC1CCNCC1c2ccccc2 Amb25247423 [1,0,0,1,0,0|1,0,1]=4 606 B14R2.24 NC1CCNCC1c2ccccc2 Amb24398671 [1,0,0,1,0,0|0,0,2]=4 607 B14R2.24 O=C1CCNCC1c2ccccc2 Amb18197173 [1,0,0,1,0,0|1,0,1]=4 608 B14R2.24 O=C1CCNCC1c2ccccc2 Amb22229400 [1,0,0,1,0,0|1,0,1]=4 609 B14R2.24 O=S1CCNCC1c2ccccc2 Amb18864028 [1,0,0,1,0,0|2,0,0]=4 610 B14R2.24 O[C@H]1CCNC[C@@H]1c2ccccc2 Amb24519302 [1,0,0,1,0,0|1,0,1]=4 611 B14R2.30 C[C@@H]1CCN[C@H]1Cc2ccccc2 Amb18197090 [1,0,0,1,0,0|1,0,1]=4 612 B14R2.30 NC1CCNC1Cc2ccccc2 Amb25731805 [1,0,0,1,0,0|0,0,2]=4 613 B14R2.30 NC1CCN[C@@H]1Cc2ccccc2 Amb18196512 [1,0,0,1,0,0|0,0,2]=4 614 B14R2.30 NC1CCN[C@H]1Cc2ccccc2 Amb25081465 [1,0,0,1,0,0|0,0,2]=4 615 B14R2.30 O=C1CCN[C@@H]1Cc2ccccc2 Amb18197192 [1,0,0,1,0,0|1,0,1]=4 616 B14R2.30 O=C1CCN[C@H]1Cc2ccccc2 Amb24489314 [1,0,0,1,0,0|1,0,1]=4 617 B14R2.30 OC1CCNC1Cc2ccccc2 Amb25775108 [1,0,0,1,0,0|1,0,1]=4 618 B14R2.30 OC1CCN[C@@H]1Cc2ccccc2 Amb18195900 [1,0,0,1,0,0|1,0,1]=4 619 B14R2.30 OC1CCN[C@H]1Cc2ccccc2 Amb24489269 [1,0,0,1,0,0|1,0,1]=4 620 B14R2.30 O[C@@H]1CCN[C@@H]1Cc2ccccc2 Amb24649744 [1,0,0,1,0,0|1,0,1]=4 621 B14R2.66 N#CCNC1CC1c2ccccc2 Amb18983171 [1,0,0,1,0,0|2,0,0]=4 622 B14R2.101 C(CN1CCCC1)c2ccccc2 Amb24064864 [1,0,0,1,0,0|1,0,1]=4 623 B14R2.101 C1CCN(C1)CCc2ccccc2 Amb10555331 [1,0,0,1,0,0|1,0,1]=4 624 B14R2.1253 C1NCCCCC1c2ccccc2 Amb21937009 [1,0,0,1,0,0|1,0,1]=4 625 B14R2.1253 C1NCCCOC1c2ccccc2 Amb20668525 [1,0,0,1,0,0|1,0,1]=4 626 B14R2.1253 C1NCCOCC1c2ccccc2 Amb18065703 [1,0,0,1,0,0|2,0,0]=4 627 B14R2.1253 C1NCCSCC1c2ccccc2 Amb25198560 [1,0,0,1,0,0|2,0,0]=4 628 B14R2.2014 N#CC1CCCOc2c1cccc2 Amb17578271 [1,0,0,1,0,0|2,0,0]=4 629 B14R2.7150 C#CCC1NCCc2ccccc21 Amb25774688 [1,0,0,1,0,0|1,0,0]=3 630 B14R2.7150 C=CCC1NCCc2ccccc21 Amb18127113 [1,0,0,1,0,0|1,0,1]=4 631 B14R2.7150 CCCC1NCCc2ccccc21 Amb18961209 [1,0,0,1,0,0|1,0,1]=4 632 B14R2.7150 CCC[C@H]1NCCc2ccccc21 Amb24443833 [1,0,0,1,0,0|1,0,1]=4 633 B14R2.7150 CNCC1NCCc2ccccc21 Amb18956501 [1,0,0,1,0,0|2,0,0]=4 634 B14R2.7150 N#CCC1CCCc2ccccc21 Amb18559308 [1,0,0,1,0,0|1,0,0]=3 635 B14R2.7150 N#CCC1CCNc2ccccc21 Amb24592092 [1,0,0,1,0,0|2,0,0]=4 636 B14R2.7150 N#CCC1CCOc2ccccc21 Amb23590924 [1,0,0,1,0,0|2,0,0]=4 637 B14R2.7150 N#CCC1NCCc2c1cccc2 Amb1993743 [1,0,0,1,0,0|0,0,0]=2 638 B14R2.7150 N#CCC1NCCc2c1cccc2 Amb1993774 [1,0,0,1,0,0|0,0,0]=2 639 B14R2.7150 N#CCC1OCCc2ccccc21 Amb24469848 [1,0,0,1,0,0|1,0,0]=3 640 B14R2.7150 N#CC[C@@H]1NCCc2ccccc21 Amb24712051 [1,0,0,1,0,0|0,0,0]=2 641 B14R2.7150 N#CNC1CCCc2ccccc21 Amb18185735 [1,0,0,1,0,0|2,0,0]=4 642 B14R2.7150 N#C\C=C/1\NCCc2ccccc21 Amb25227680 [1,0,0,1,0,0|0,0,2]=4 643 B14R2.7150 N#C\C=C\1/NCCc2ccccc21 Amb18126701 [1,0,0,1,0,0|0,0,2]=4 644 B14R2.7150 OCCC1NCCc2c1cccc2 Amb17193933 [1,0,0,1,0,0|1,0,1]=4 645 B14R2.16538 CC#CCNC1Cc2ccccc21 Amb25687692 [1,0,0,1,0,0|1,0,1]=4 646 B14R2.16538 N#CCNCC1Cc2ccccc21 Amb25670226 [1,0,0,1,0,0|2,0,0]=4 647 B14R2.24101 CC1CCNCCc2ccccc21 Amb24613291 [1,0,0,1,0,0|1,0,1]=4 648 B14R2.19 BrC1CC(CC1)Cc2ccccc2 Amb25345569 [1,0,0,1,0,0|1,0,1]=4 649 B14R2.19 CC1CNC(O1)Cc2ccccc2 Amb17506178 [1,0,0,1,0,0|1,0,1]=4 650 B14R2.19 C[C@@H]1C[C@H](Cc2ccccc2)NC1 Amb18197087 [1,0,0,1,0,0|0,0,1]=3 651 B14R2.19 NC1CC(CC1)Cc2ccccc2 Amb25337996 [1,0,0,1,0,0|0,0,2]=4 652 B14R2.19 O=C1CC(Cc2ccccc2)CC1 Amb24455173 [1,0,0,1,0,0|1,0,1]=4 653 B14R2.19 O=C1C[C@@H](Cc2ccccc2)CC1 Amb24723978 [1,0,0,1,0,0|1,0,1]=4 654 B14R2.19 OC1CC(Cc2ccccc2)NC1 Amb23454017 [1,0,0,1,0,0|1,0,0]=3 655 B14R2.19 OC1CC(Cc2ccccc2)OC1 Amb24495738 [1,0,0,1,0,0|2,0,0]=4 656 B14R2.19 O[C@@H]1C[C@@H](CC1)Cc2ccccc2 Amb25271477 [1,0,0,1,0,0|1,0,1]=4 657 B14R2.19 O[C@@H]1C[C@@H](Cc2ccccc2)NC1 Amb24670445 [1,0,0,1,0,0|1,0,0]=3 658 B14R2.67 CCCNC1Cc2c(C1)cccc2 Amb2182882 [1,0,0,1,0,0|0,0,1]=3 659 B14R2.67 CNCCC1Cc2ccccc2C1 Amb25097431 [1,0,0,1,0,0|2,0,0]=4 660 B14R2.67 FCCNC1Cc2ccccc2C1 Amb24727828 [1,0,0,1,0,0|1,0,0]=3 661 B14R2.67 FCCSC1Cc2ccccc2C1 Amb25279743 [1,0,0,1,0,0|2,0,0]=4 662 B14R2.67 N#CCCN1Cc2c(C1)cccc2 Amb17480623 [1,0,0,1,0,0|1,0,0]=3 663 B14R2.67 N#CCSC1Cc2ccccc2C1 Amb25295543 [1,0,0,1,0,0|1,0,0]=3 664 B14R2.67 N#CNCC1Cc2ccccc2O1 Amb18808340 [1,0,0,1,0,0|2,0,0]=4 665 B14R2.67 NCCNC1Cc2ccccc2C1 Amb18289524 [1,0,0,1,0,0|0,0,1]=3 666 B14R2.67 OCCCC1Cc2ccccc2C1 Amb25761184 [1,0,0,1,0,0|1,0,1]=4 667 B14R2.90 C#CC1CN(C1)Cc2ccccc2 Amb24749734 [1,0,0,1,0,0|2,0,0]=4 668 B14R2.90 N#CC1CN(C1)Cc2ccccc2 Amb21856946 [1,0,0,1,0,0|1,0,0]=3 669 B14R2.90 NCC1CC(Cc2ccccc2)C1 Amb25045598 [1,0,0,1,0,0|0,0,2]=4 670 B14R2.90 OCC1CC(Cc2ccccc2)C1 Amb23510263 [1,0,0,1,0,0|1,0,1]=4 671 B14R2.277 CC1CCC(O)C1c2ccccc2 Amb25069604 [1,0,0,1,0,0|1,0,1]=4 672 B14R2.277 CC1NCC(C)C1c2c[n]ccc2 Amb24548556 [1,0,0,1,0,0|1,0,1]=4 673 B14R2.277 CC1NCC(C)C1c2cccc[n]2 Amb25231051 [1,0,0,1,0,0|1,0,1]=4 674 B14R2.277 CC1NCC(C)C1c2ccccc2 Amb25260177 [1,0,0,1,0,0|0,0,1]=3 675 B14R2.277 C[C@@H]1CCC(=O)[C@@H]1c2ccccc2 Amb25205730 [1,0,0,1,0,0|1,0,1]=4 676 B14R2.277 C[C@H]1CCC(=O)[C@H]1c2ccccc2 Amb25373309 [1,0,0,1,0,0|1,0,1]=4 677 B14R2.287 CC1Cc2ccccc2C(=O)CC1 Amb25735145 [1,0,0,1,0,0|1,0,1]=4 678 B14R2.287 CC1Cc2ccccc2C(=O)CN1 Amb24759218 [1,0,0,1,0,0|1,0,1]=4 679 B14R2.287 C[C@@H]1Cc2ccccc2[C@@H](C)CN1 Amb24559813 [1,0,0,1,0,0|0,0,1]=3 680 B14R2.287 C[C@H]1Cc2ccccc2[C@H](C)CN1 Amb25276563 [1,0,0,1,0,0|0,0,1]=3 681 B14R2.411 CC1(CNCC1)Cc2ccccc2 Amb18966917 [1,0,0,1,0,0|2,0,0]=4 682 B14R2.411 CC1(Cc2c[n]ccc2)CCCN1 Amb24564933 [1,0,0,1,0,0|1,0,1]=4 683 B14R2.411 CC1(Cc2cc[n]cc2)CCCN1 Amb24489904 [1,0,0,1,0,0|1,0,1]=4 684 B14R2.411 CC1(Cc2ccccc2)CCCN1 Amb24451316 [1,0,0,1,0,0|0,0,1]=3 685 B14R2.411 CC1(Cc2ccccc2)SCCS1 Amb25085320 [1,0,0,1,0,0|2,0,0]=4 686 B14R2.517 CC1Cc2ccccc2N1CC#C Amb18185694 [1,0,0,1,0,0|0,0,1]=3 687 B14R2.517 CC1Cc2ccccc2N1CC=C Amb25220798 [1,0,0,1,0,0|0,0,2]=4 688 B14R2.517 CC1Cc2ccccc2N1CC=O Amb18185897 [1,0,0,1,0,0|1,0,1]=4 689 B14R2.517 CC1Cc2ccccc2N1CCBr Amb25154763 [1,0,0,1,0,0|1,0,0]=3 690 B14R2.517 CC1Cc2ccccc2N1CCF Amb25105656 [1,0,0,1,0,0|1,0,0]=3 691 B14R2.517 Cc1cc2ccccc2[n]1CC#N Amb18126690 [1,0,0,1,0,0|0,0,2]=4 692 B14R2.517 ClCCN1C(C)Cc2c1cccc2 Amb17337050 [1,0,0,1,0,0|1,0,0]=3 693 B14R2.517 N#CCn1c(C)nc2c1cccc2 Amb1760930 [1,0,0,1,0,0|1,0,1]=4 694 B14R2.517 N#CS[C@@H]1[C@@H](O)Cc2ccccc21 Amb24748474 [1,0,0,1,0,0|2,0,0]=4 695 B14R2.727 CC1(Cc2ccccc2)CCC1=O Amb25053062 [1,0,0,1,0,0|1,0,1]=4 696 B14R2.1039 CC1(CC1CN)Cc2ccccc2 Amb19001802 [1,0,0,1,0,0|0,0,2]=4 697 B14R2.1039 C[C@]1(Cc2ccccc2)O[C@@H]1CO Amb24515225 [1,0,0,1,0,0|2,0,0]=4 698 B14R2.1146 CC1Cc2[n]cccc2C(CC)N1 Amb24405856 [1,0,0,1,0,0|1,0,1]=4 699 B14R2.1146 CC1Cc2ccccc2C(=C1)C#N Amb18126621 [1,0,0,1,0,0|0,0,2]=4 700 B14R2.1146 CC1Cc2ccccc2C(C1)NC Amb25130681 [1,0,0,1,0,0|2,0,0]=4 701 B14R2.1146 CC1Cc2ccccc2C(CC)N1 Amb24725258 [1,0,0,1,0,0|0,0,1]=3 702 B14R2.8 N#CC1CCC(N1)c2ccccc2 Amb25242832 [0,0,0,1,1,0|2,0,0]=4 703 B14R2.8 N#CC1CNC(C1)c2ccccc2 Amb25178937 [0,0,0,1,1,0|0,0,0]=2 704 B14R2.8 N#CN1CC(CC1)c2ccccc2 Amb24369374 [0,0,0,1,1,0|2,0,0]=4 705 B14R2.8 OCC1CC(NC1)c2ccccc2 Amb23590810 [0,0,0,1,1,0|1,0,1]=4 706 B14R2.21 CC1CC(NCC1)c2ccccc2 Amb24066154 [0,0,0,1,1,0|1,0,1]=4 707 B14R2.21 CN1CC(NCC1)c2ccccc2 Amb24064755 [0,0,0,1,1,0|2,0,0]=4 708 B14R2.21 CN1CCNC(C1)c2ccccc2 Amb1672626 [0,0,0,1,1,0|2,0,0]=4 709 B14R2.21 CN1C[C@@H](NCC1)c2ccccc2 Amb22032546 [0,0,0,1,1,0|2,0,0]=4 710 B14R2.21 C[C@H]1C[C@H](NCC1)c2ccccc2 Amb24436064 [0,0,0,1,1,0|1,0,1]=4 711 B14R2.21 ClC1CC(NCC1)c2ccccc2 Amb24652601 [0,0,0,1,1,0|1,0,1]=4 712 B14R2.21 NC1CC(NCC1)c2ccccc2 Amb25160938 [0,0,0,1,1,0|0,0,2]=4 713 B14R2.21 O=C1CC(NCC1)c2ccccc2 Amb22274020 [0,0,0,1,1,0|1,0,1]=4 714 B14R2.21 O=C1CCNC(C1)c2ccccc2 Amb17233086 [0,0,0,1,1,0|1,0,1]=4 715 B14R2.21 O=S1CC(NCC1)c2ccccc2 Amb19374300 [0,0,0,1,1,0|2,0,0]=4 716 B14R2.21 OC1CC(NCC1)c2ccccc2 Amb22035160 [0,0,0,1,1,0|1,0,1]=4 717 B14R2.21 OC1CCNC(C1)c2ccccc2 Amb17233271 [0,0,0,1,1,0|1,0,1]=4 718 B14R2.21 O[C@@H]1C[C@H](NCC1)c2ccccc2 Amb24564463 [0,0,0,1,1,0|1,0,1]=4 719 B14R2.21 O[C@H]1C[C@@H](NCC1)c2ccccc2 Amb25351515 [0,0,0,1,1,0|1,0,1]=4 720 B14R2.21 O[C@H]1C[C@H](NCC1)c2ccccc2 Amb25253500 [0,0,0,1,1,0|1,0,1]=4 721 B14R2.114 CC(c1ccccc1)N2CCCC2 Amb25362841 [0,0,0,1,1,0|1,0,1]=4 722 B14R2.317 CC1(NCCC1F)c2ccccc2 Amb24450258 [0,0,0,1,1,0|1,0,1]=4 723 B14R2.317 CC1(NCCC1O)c2ccccc2 Amb24472549 [0,0,0,1,1,0|1,0,1]=4 724 B14R2.352 CC(NC1CC1C)c2ccccc2 Amb18183998 [0,0,0,1,1,0|1,0,1]=4 725 B14R2.352 CC(NC1CC1F)c2ccccc2 Amb24653708 [0,0,0,1,1,0|1,0,1]=4 726 B14R2.510 CN1CC(CC#N)c2ccccc12 Amb18126944 [0,0,0,1,1,0|2,0,0]=4 727 B14R2.792 CC(c1ccccc1)NCC2CC2 Amb1790736 [0,0,0,1,1,0|1,0,1]=4 728 B14R2.794 CC(NC1CCC1)c2ccccc2 Amb18296782 [0,0,0,1,1,0|1,0,1]=4 729 B14R2.794 C[C@@H](NC1CSC1)c2ccccc2 Amb24582298 [0,0,0,1,1,0|2,0,0]=4 730 B14R2.1131 CC1NC=C(C#N)c2ccccc21 Amb24399939 [0,0,0,1,1,0|0,0,2]=4 731 B14R2.1131 CC1NCC(CC)c2ccccc21 Amb24417145 [0,0,0,1,1,0|1,0,1]=4 732 B14R2.1131 N#CC1CCN(c2c1cccc2)C Amb10609140 [0,0,0,1,1,0|2,0,0]=4 733 B14R2.1161 C[C@@H](c1ccccc1)N2C[C@@H]2CO Amb24288694 [0,0,0,1,1,0|1,0,1]=4 734 B14R2.1161 C[C@@H](c1ccccc1)N2C[C@H]2CO Amb24273601 [0,0,0,1,1,0|1,0,1]=4 735 B14R2.4510 CC1NCCN(C)c2ccccc21 Amb25787158 [0,0,0,1,1,0|2,0,0]=4 736 B14R2.5540 CC1(CCCCN1)c2ccccc2 Amb18063210 [0,0,0,1,1,0|1,0,1]=4 737 B14R2.5540 CC1(CNCCN1)c2ccccc2 Amb24065744 [0,0,0,1,1,0|2,0,0]=4 738 B14R2.5540 C[C@]1(CCCCN1)c2ccccc2 Amb24440188 [0,0,0,1,1,0|1,0,1]=4 739 B16R2.252 CN1CC(CCc2ccccc2)NCC1 Amb18865095 [0,0,0,1,0,1|2,0,0]=4 740 B16R2.252 O=C1CC(CCc2ccccc2)NCC1 Amb18785348 [0,0,0,1,0,1|1,0,1]=4 741 B16R2.2334 N#CN1CC(CC1)OCc2ccccc2 Amb24626371 [0,0,0,1,0,1|2,0,0]=4 742 B16R2.3193 CC1CC1NC(C)CCc2ccccc2 Amb24772875 [0,0,0,1,0,1|1,0,1]=4 743 B16R2.3627 N#CCC1CC(C1)OCc2ccccc2 Amb24749877 [0,0,0,1,0,1|1,0,0]=3 744 B16R2.3627 N#CC[C@@H]1C[C@@H](C1)OCc2ccccc2 Amb24178924 [0,0,0,1,0,1|1,0,0]=3 745 B16R2.3627 N#CC[C@@H]1C[C@H](C1)OCc2ccccc2 Amb24178928 [0,0,0,1,0,1|1,0,0]=3 746 B16R2.30013 CC1CCc2ccccc2N1CCC=O Amb25222521 [0,0,0,1,0,1|1,0,1]=4 747 B16R2.30013 CC1CCc2ccccc2N1CCCBr Amb25822553 [0,0,0,1,0,1|1,0,1]=4 748 B16R2.30013 CC1COc2ccccc2N1CCCN Amb18061716 [0,0,0,1,0,1|0,0,2]=4 749 B16R2.30013 CC1COc2ccccc2N1CCCO Amb22160891 [0,0,0,1,0,1|1,0,1]=4 750 B16R2.44148 CC(CCc1ccccc1)NC2CCC2 Amb24771872 [0,0,0,1,0,1|1,0,1]=4 751 B16R2.23 N#CC1OCCN(C1)Cc2ccccc2 Amb10608530 [0,1,0,1,0,0|2,0,0]=4 752 B16R2.88 CC(N1CCNCC1)Cc2ccccc2 Amb17089402 [0,1,0,1,0,0|1,0,1]=4 753 B16R2.92 N#CC[C@H]1CN(Cc2ccccc2)CC1 Amb25184248 [0,1,0,1,0,0|2,0,0]=4 754 B16R2.2938 CC1CN(CCC#N)C1c2ccccc2 Amb22152766 [0,1,0,1,0,0|0,0,0]=2 755 B16R2.6335 ClCCCCN1C(C)Cc2c1cccc2 Amb17342938 [0,1,0,1,0,0|1,0,1]=4 756 B16R2.12202 CC1Cc2ccccc2N(CCCBr)C1 Amb25171023 [0,1,0,1,0,0|1,0,1]=4 757 B16R2.13402 CC1(CNCCOC1)Cc2ccccc2 Amb18567351 [0,1,0,1,0,0|2,0,0]=4 758 B16R2.13402 CC1(Cc2ccccc2)CNCCNC1 Amb18865093 [0,1,0,1,0,0|2,0,0]=4 759 B16R2.2209 OC(C1CCCCCN1)c2ccccc2 Amb18782213 [0,1,0,1,0,0|1,0,1]=4 760 B16R2.6780 C[C@@H]([C@H](O)c1ccccc1)N2CCCC2 Amb22366946 [0,1,0,1,0,0|1,0,1]=4 761 B16R2.6780 O[C@H]([C@H](N1CCCC1)C)c2ccccc2 Amb16232549 [0,1,0,1,0,0|1,0,1]=4 762 B16R2.131 CN1CCNC(Cc2ccc(Br)cc2)C1 Amb18593456 [0,1,0,1,0,0|2,0,0]=4 763 B16R2.131 CN1CCNC(Cc2ccc(Cl)cc2)C1 Amb18571188 [0,1,0,1,0,0|2,0,0]=4 764 B16R2.131 CN1CCNC(Cc2ccc(F)cc2)C1 Amb18568478 [0,1,0,1,0,0|2,0,0]=4 765 B16R2.131 Cc1ccc(CC2CC(=O)CCN2)cc1 Amb18785346 [0,1,0,1,0,0|1,0,1]=4 766 B16R2.131 Cc1ccc(CC2CN(C)CCN2)cc1 Amb18567113 [0,1,0,1,0,0|2,0,0]=4 767 B16R2.131 O=C1CC(Cc2ccc(Cl)cc2)NCC1 Amb18761582 [0,1,0,1,0,0|1,0,1]=4 768 B16R2.131 O=C1CC(Cc2ccc(F)cc2)NCC1 Amb18779242 [0,1,0,1,0,0|1,0,1]=4 769 B16R2.131 O[C@@H]1C[C@H](Cc2ccc(Cl)cc2)NCC1 Amb22747048 [0,1,0,1,0,0|1,0,1]=4 770 B16R2.133 CC(Cc1ccc(N)cc1)N2CCCC2 Amb18050242 [0,1,0,1,0,0|1,0,1]=4 771 B16R2.33330 Brc1ccc(CC2CCCCCN2)cc1 Amb22054567 [0,1,0,1,0,0|1,0,1]=4 772 B16R2.33330 Cc1ccc(CC2CCCCCN2)cc1 Amb17659224 [0,1,0,1,0,0|1,0,1]=4 773 B16R2.33330 Cc1ccc(cc1)CC2CCCCCN2 Amb2235767 [0,1,0,1,0,0|1,0,1]=4 774 B16R2.33345 CC(Cc1ccc(O)cc1)NCC2CC2 Amb25389540 [0,1,0,1,0,0|1,0,1]=4 775 B16R2.33353 CC(Cc1ccc(Br)cc1)NC2CCC2 Amb24771874 [0,1,0,1,0,0|1,0,1]=4 776 B16R2.251 CN1CCNC(Cc2cccc(Br)c2)C1 Amb18074901 [0,1,0,1,0,0|2,0,0]=4 777 B16R2.251 CN1CCNC(Cc2cccc(Cl)c2)C1 Amb18571184 [0,1,0,1,0,0|2,0,0]=4 778 B16R2.251 CN1CCNC(Cc2cccc(F)c2)C1 Amb18568482 [0,1,0,1,0,0|2,0,0]=4 779 B16R2.251 Cc1cccc(CC2CN(C)CCN2)c1 Amb18567109 [0,1,0,1,0,0|2,0,0]=4 780 B16R2.2128 C#CCCC(=O)C1Cc2ccccc2C1 Amb25341010 [0,1,0,1,0,0|2,0,0]=4 781 B16R2.2843 CC(Cc1ccccc1)N2CCC(=O)C2 Amb25245795 [0,1,0,1,0,0|1,0,1]=4 782 B16R2.2843 CC(Cc1ccccc1)N2CCC(=O)N2 Amb22485564 [0,1,0,1,0,0|0,0,2]=4 783 B16R2.2374 C[C@@H]1CN(C[C@H]1C#N)Cc2ccccc2 Amb25804286 [0,1,0,1,0,0|2,0,0]=4 784 B16R2.2374 N#CC1CN(Cc2ccccc2)CC1S Amb25275702 [0,1,0,1,0,0|2,0,0]=4 785 B16R2.2822 CC1CN(C)C[C@@H](Cc2ccccc2)N1 Amb18783735 [0,1,0,1,0,0|2,0,0]=4 786 B16R2.2822 C[C@@H]1CN(C)CC(Cc2ccccc2)N1 Amb18783736 [0,1,0,1,0,0|2,0,0]=4 787 B16R2.2 N#CC1CCN(Cc2ccccc2)CC1 Amb22753868 [0,1,0,1,0,0|2,0,0]=4 788 B16R2.2 NCC1CCC(Cc2ccccc2)NC1 Amb18783818 [0,1,0,1,0,0|0,0,2]=4 789 B16R2.2 OCC1NCC(NC1)Cc2ccccc2 Amb17579160 [0,1,0,1,0,0|1,0,1]=4 790 B16R2.124 C[C@@H]1CN[C@H](Cc2ccccc2)CN1C Amb18783748 [0,1,0,1,0,0|2,0,0]=4 791 B16R2.8241 N#CC1(Cl)CN(Cc2ccccc2)CC1 Amb24528266 [0,1,0,1,0,0|2,0,0]=4 792 B16R2.33562 CC1Cc2ccccc2N1CC(C)CBr Amb25182346 [0,1,0,1,0,0|1,0,1]=4 793 B16R2.33562 CC1Cc2ccccc2N1CC(C)CCl Amb25120233 [0,1,0,1,0,0|1,0,1]=4 794 B16R2.101 NCC(N1CCCC1)Cc2ccccc2 Amb1129117 [0,1,0,1,0,0|1,0,1]=4 795 B16R2.112 N#CCCn1c(CC)nc2c1cccc2 Amb2570636 [0,1,0,1,0,0|1,0,1]=4 796 B16R2.4003 CC(=O)CCN1C(C)Cc2c1cccc2 Amb17402744 [0,1,0,1,0,0|1,0,1]=4 797 B16R2.4003 ClC(=O)CCN1C(C)Cc2c1cccc2 Amb17143975 [0,1,0,1,0,0|1,0,1]=4 798 B16R2.4003 NC(=O)CCN1C(C)Cc2c1cccc2 Amb17143315 [0,1,0,1,0,0|0,0,2]=4 799 B16R2.14817 O=S1(=O)CC(Cc2ccccc2)NCC1 Amb18571307 [0,1,0,1,0,0|2,0,0]=4 800 B16R2.2923 CN1CCNC(Cc2ccccc2Br)C1 Amb18593460 [0,1,0,1,0,0|2,0,0]=4 801 B16R2.2923 CN1CCNC(Cc2ccccc2Cl)C1 Amb18571180 [0,1,0,1,0,0|2,0,0]=4 802 B16R2.2923 CN1CCNC(Cc2ccccc2F)C1 Amb18568474 [0,1,0,1,0,0|2,0,0]=4 803 B16R2.2923 Cc1ccccc1CC2CC(=O)CCN2 Amb18785347 [0,1,0,1,0,0|1,0,1]=4 804 B16R2.2923 Cc1ccccc1CC2CN(C)CCN2 Amb18567105 [0,1,0,1,0,0|2,0,0]=4 805 B16R2.2923 O=C1CC(Cc2ccccc2Cl)NCC1 Amb18761580 [0,1,0,1,0,0|1,0,1]=4 806 B16R2.2923 O=C1CC(Cc2ccccc2F)NCC1 Amb18779243 [0,1,0,1,0,0|1,0,1]=4 807 B16R2.24848 Cc1ccccc1CC2CCCCCN2 Amb2235764 [0,1,0,1,0,0|1,0,1]=4 808 B16R3.2637 CN1CCN2C(Cc3ccccc23)C1 Amb25063226 [0,0,0,2,0,0|2,0,0]=4 809 B16R3.27838 CC1CCNC2Cc3ccccc3C21 Amb24348061 [0,0,0,2,0,0|1,0,1]=4 810 B16R3.27838 CC1NCCN2Cc3ccccc3C21 Amb18650018 [0,0,0,2,0,0|2,0,0]=4 811 B16R3.27838 CN1CCNC2Cc3ccccc3C12 Amb24628293 [0,0,0,2,0,0|2,0,0]=4 812 B16R3.27838 C[C@@H]1NCCN2Cc3ccccc3[C@H]21 Amb24100254 [0,0,0,2,0,0|2,0,0]=4 813 B16R3.27838 C[C@H]1NCCN2Cc3ccccc3[C@H]21 Amb24100215 [0,0,0,2,0,0|2,0,0]=4 814 B16R3.1722 C1C2CNCCCN2c3ccccc31 Amb25689634 [0,0,0,2,0,0|0,0,2]=4 815 B16R3.1722 C1C2NCCCOC2c3ccccc31 Amb20668498 [0,0,0,2,0,0|1,0,1]=4 816 B16R3.5925 C1C(Cc2ccccc21)N3CCCC3 Amb22522026 [0,0,0,2,0,0|1,0,1]=4 817 B16R3.14531 CC1CC1NC2Cc3ccccc3C2 Amb19071046 [0,0,0,2,0,0|1,0,1]=4 818 B16R3.3509 CC1Cc2ccccc2C(N1)C3CC3 Amb24645217 [0,0,0,2,0,0|1,0,1]=4 819 B16R3.6002 C1C(C1NC2CCC2)c3ccccc3 Amb19076745 [0,0,0,2,0,0|1,0,1]=4 820 B16R3.6002 C1NCC1NC2CC2c3ccccc3 Amb25078514 [0,0,0,2,0,0|2,0,0]=4 821 B16R3.6002 C1OCC1NC2CC2c3ccccc3 Amb25729668 [0,0,0,2,0,0|2,0,0]=4 822 B16R3.3490 CC1Cc2ccccc2N1C3CNC3 Amb24709705 [0,0,0,2,0,0|2,0,0]=4 823 B16R3.63995 C1C(Cc2ccccc21)NC3CCC3 Amb19071044 [0,0,0,2,0,0|1,0,1]=4 824 B16R3.65859 C1c2ccccc2CC13NCCCS3 Amb25337870 [0,0,0,2,0,0|1,0,1]=4 825 B16R3.27088 CC1Cc2cccc3CCCC(N1)c32 Amb24596313 [0,0,0,2,0,0|1,0,1]=4 826 B12R1.30 C#CCCC(Cl)c1ccccc1 Amb25756186 [1,0,0,0,1,0|2,0,0]=4 827 B12R1.30 C#CCCC(O)c1ccccc1 Amb18800360 [1,0,0,0,1,0|2,0,0]=4 828 B12R1.30 CC(CCC=C)c1ccccc1 Amb24062989 [1,0,0,0,1,0|1,0,1]=4 829 B12R1.30 CC(CCCN)c1ccccc1 Amb18563593 [1,0,0,0,1,0|0,0,2]=4 830 B12R1.30 CC(CNC#N)c1ccccc1 Amb24419584 [1,0,0,0,1,0|1,0,0]=3 831 B12R1.30 CC(OCCO)c1ccccc1 Amb24103429 [1,0,0,0,1,0|2,0,0]=4 832 B12R1.30 CC(SCC#C)c1ccccc1 Amb25763673 [1,0,0,0,1,0|1,0,1]=4 833 B12R1.30 CC(\C=C\C#N)c1ccccc1 Amb18644939 [1,0,0,0,1,0|0,0,2]=4 834 B12R1.30 CC(c1ccccc1)SCC#N Amb17501742 [1,0,0,0,1,0|1,0,0]=3 835 B12R1.30 CCCNC(c1ccccc1)C Amb1833463 [1,0,0,0,1,0|0,0,1]=3 836 B12R1.30 CN(c1ccccc1)CCC#C Amb10559135 [1,0,0,0,1,0|2,0,0]=4 837 B12R1.30 C[C@@H](NCC#C)c1c[n]ccc1 Amb25073667 [1,0,0,0,1,0|1,0,1]=4 838 B12R1.30 C[C@@H](NCC#N)c1c[n]ccc1 Amb25310882 [1,0,0,0,1,0|1,0,0]=3 839 B12R1.30 C[C@@H](NCC#N)c1cc[n]cc1 Amb25823710 [1,0,0,0,1,0|1,0,0]=3 840 B12R1.30 C[C@H](NCC#C)c1c[n]ccc1 Amb25348197 [1,0,0,0,1,0|1,0,1]=4 841 B12R1.30 C[C@H](NCC#C)c1cc[n]cc1 Amb25134563 [1,0,0,0,1,0|1,0,1]=4 842 B12R1.30 C[C@H](NCC#N)c1cc[n]cc1 Amb24659981 [1,0,0,0,1,0|1,0,0]=3 843 B12R1.30 C[C@H]([NH2+]CCCl)c1ccccc1 Amb17773001 [1,0,0,0,1,0|1,0,1]=4 844 B12R1.30 ClCCNC(c1ccccc1)C Amb10069614 [1,0,0,0,1,0|1,0,0]=3 845 B12R1.30 ClCCNC(c1ccccc1)C Amb17335659 [1,0,0,0,1,0|1,0,0]=3 846 B12R1.30 N#CCCC(=O)c1ccccc1 Amb1672449 [1,0,0,0,1,0|1,0,1]=4 847 B12R1.30 N#CCCC(Cl)c1ccccc1 Amb18648313 [1,0,0,0,1,0|1,0,0]=3 848 B12R1.30 N#CCCC(O)c1cc[n]cc1 Amb24415879 [1,0,0,0,1,0|2,0,0]=4 849 B12R1.30 N#CCCC(O)c1cccc[n]1 Amb25045309 [1,0,0,0,1,0|2,0,0]=4 850 B12R1.30 N#CCCC(c1cccnc1)O Amb17232405 [1,0,0,0,1,0|2,0,0]=4 851 B12R1.30 N#CCCS(=O)c1ccccc1 Amb18648265 [1,0,0,0,1,0|2,0,0]=4 852 B12R1.30 N#CCC[C@H](O)c1ccccc1 Amb24466214 [1,0,0,0,1,0|1,0,0]=3 853 B12R1.30 N#CNCC(O)c1ccccc1 Amb18800628 [1,0,0,0,1,0|2,0,0]=4 854 B12R1.30 NCCNC(c1ccccc1)C Amb17091024 [1,0,0,0,1,0|0,0,1]=3 855 B12R1.30 NCCSC(c1ccccc1)C Amb17500453 [1,0,0,0,1,0|1,0,1]=4 856 B12R1.30 OC(c1ccccc1)CCC#N Amb17232364 [1,0,0,0,1,0|1,0,0]=3 857 B12R1.30 OCCNC(c1ccccc1)C Amb2092663 [1,0,0,0,1,0|1,0,0]=3 858 B16R1.1694 CC(COCc1ccccc1)NCCC#C Amb25186880 [0,0,0,0,0,2|1,0,0]=3 859 B16R1.1694 CC(COCc1ccccc1)NCCC=C Amb25186883 [0,0,0,0,0,2|1,0,1]=4 860 B16R1.1694 CC(COCc1ccccc1)NCCCO Amb25186884 [0,0,0,0,0,2|1,0,1]=4 861 B16R1.1694 CN(CCCC#N)CCOc1ccccc1 Amb21395782 [0,0,0,0,0,2|2,0,0]=4 862 B16R1.1694 CNCCNC(C)COCc1ccccc1 Amb25264477 [0,0,0,0,0,2|2,0,0]=4 863 B16R1.1694 N#CCCNC(=O)CCOc1ccccc1 Amb17404990 [0,0,0,0,0,2|1,0,1]=4