0 B14R1.158 C#CCCNC(=N)Nc1ccccc1 Amb28042758 [0,0,0,0,0,0|3,0,1]=4 1 B14R1.158 C#CCCNC(=O)Nc1ccccc1 Amb21942385 [0,0,0,0,0,0|3,0,1]=4 2 B14R1.158 CCCCNC(C)Cc1ccccc1 Amb19041462 [0,0,0,0,0,0|1,0,1]=2 3 B14R1.158 CN(CCCC#N)Cc1ccccc1 Amb6279696 [0,0,0,0,0,0|2,0,0]=2 4 B14R1.158 CN(CCCCCl)Cc1ccccc1 Amb17339782 [0,0,0,0,0,0|3,0,1]=4 5 B14R1.158 CN(CCCCO)Cc1ccccc1 Amb9370065 [0,0,0,0,0,0|3,0,1]=4 6 B14R1.158 CN(CCCCS)Cc1ccccc1 Amb27197835 [0,0,0,0,0,0|3,0,1]=4 7 B14R1.158 CN(CCCON)Cc1ccccc1 Amb17104882 [0,0,0,0,0,0|3,0,1]=4 8 B14R1.158 CN(CCNC#N)Cc1ccccc1 Amb27228073 [0,0,0,0,0,0|3,0,0]=3 9 B14R1.158 CNCCCN(C)Cc1ccccc1 Amb6710801 [0,0,0,0,0,0|4,0,0]=4 10 B14R1.158 COCCCC(N)Cc1ccccc1 Amb19062060 [0,0,0,0,0,0|4,0,0]=4 11 B14R1.158 N#CCCNC(=O)Cc1ccccc1 Amb17401185 [0,0,0,0,0,0|1,0,1]=2 12 B14R1.158 N#CCCOC(=O)Nc1ccccc1 Amb4018340 [0,0,0,0,0,0|3,0,1]=4 13 B14R1.158 NCCCNC(=O)Cc1ccccc1 Amb6280127 [0,0,0,0,0,0|1,0,3]=4 14 B13R1.28 BrCCCCCCc1ccccc1 Amb2685411 [1,0,0,0,0,0|2,0,1]=4 15 B13R1.28 C#CCCCNCc1ccccc1 Amb27230415 [1,0,0,0,0,0|3,0,0]=4 16 B13R1.28 C#CCCCOCc1ccccc1 Amb27228806 [1,0,0,0,0,0|3,0,0]=4 17 B13R1.28 C=CCCNCCc1ccccc1 Amb19737352 [1,0,0,0,0,0|1,0,1]=3 18 B13R1.28 C=CCCNOCc1ccccc1 Amb26335912 [1,0,0,0,0,0|2,0,1]=4 19 B13R1.28 CC#CCNOCc1ccccc1 Amb27858292 [1,0,0,0,0,0|2,0,1]=4 20 B13R1.28 CCCCCCCc1ccccc1 Amb8513456 [1,0,0,0,0,0|2,0,1]=4 21 B13R1.28 CCCCNCCc1ccccc1 Amb2172322 [1,0,0,0,0,0|1,0,1]=3 22 B13R1.28 CCCCNCCc1ccccc1 Amb875620 [1,0,0,0,0,0|1,0,1]=3 23 B13R1.28 CCCCNOCc1ccccc1 Amb27433781 [1,0,0,0,0,0|2,0,1]=4 24 B13R1.28 CCCCOCCc1ccccc1 Amb24065444 [1,0,0,0,0,0|2,0,1]=4 25 B13R1.28 COCCNCCc1ccccc1 Amb6685596 [1,0,0,0,0,0|2,0,0]=3 26 B13R1.28 COCCNCCc1ccncc1 Amb16191750 [1,0,0,0,0,0|3,0,0]=4 27 B13R1.28 ClCCCNCCc1ccccc1 Amb29565621 [1,0,0,0,0,0|1,0,1]=3 28 B13R1.28 ClCCCOCCc1ccccc1 Amb9208564 [1,0,0,0,0,0|2,0,1]=4 29 B13R1.28 N#CCCCCOc1ccccc1 Amb2754941 [1,0,0,0,0,0|2,0,0]=3 30 B13R1.28 N#CCCCNCc1ccccc1 Amb33069054 [1,0,0,0,0,0|2,0,0]=3 31 B13R1.28 N#CCCCNCc1ccccc1 Amb6707686 [1,0,0,0,0,0|2,0,0]=3 32 B13R1.28 N#CCCCSCc1ccccc1 Amb6677694 [1,0,0,0,0,0|2,0,0]=3 33 B13R1.28 N#CCCNCCc1ccccc1 Amb2693162 [1,0,0,0,0,0|0,0,0]=1 34 B13R1.28 N#CCCNOCc1ccccc1 Amb27165442 [1,0,0,0,0,0|1,0,0]=2 35 B13R1.28 N#CCCOCCc1ccccc1 Amb9208575 [1,0,0,0,0,0|1,0,0]=2 36 B13R1.28 N#CCCOCCc1ccccn1 Amb9208814 [1,0,0,0,0,0|2,0,0]=3 37 B13R1.28 N#CSCCNCc1ccccc1 Amb23575679 [1,0,0,0,0,0|3,0,0]=4 38 B13R1.28 NCCCCCCc1ccccc1 Amb17233312 [1,0,0,0,0,0|1,0,2]=4 39 B13R1.28 NCCCNCCc1ccccc1 Amb17315277 [1,0,0,0,0,0|0,0,2]=3 40 B13R1.28 NCCCOCCc1ccccc1 Amb7764729 [1,0,0,0,0,0|1,0,2]=4 41 B13R1.28 OCCCCCCc1ccccc1 Amb8515378 [1,0,0,0,0,0|2,0,1]=4 42 B13R1.28 OCCCNCCc1ccccc1 Amb6733591 [1,0,0,0,0,0|1,0,1]=3 43 B13R1.28 OCCCOCCc1ccccc1 Amb10609118 [1,0,0,0,0,0|2,0,1]=4 44 B13R1.44 C#CCC\C(C)=C\c1ccccc1 Amb33381227 [1,0,0,0,0,0|1,0,2]=4 45 B13R1.44 C#CCNC(C)Cc1ccccc1 Amb17618673 [1,0,0,0,0,0|0,0,1]=2 46 B13R1.44 C#CCNC(C)Cc1ccccc1 Amb33549982 [1,0,0,0,0,0|0,0,1]=2 47 B13R1.44 C=CCCC(C)Nc1ccccc1 Amb33363053 [1,0,0,0,0,0|2,0,1]=4 48 B13R1.44 C=CCCN(C)Cc1ccccc1 Amb27651523 [1,0,0,0,0,0|2,0,1]=4 49 B13R1.44 CC#CCC(C)Nc1ccccc1 Amb27231838 [1,0,0,0,0,0|2,0,1]=4 50 B13R1.44 CC(CCC#N)Nc1ccccc1 Amb35661403 [1,0,0,0,0,0|1,0,0]=2 51 B13R1.44 CC(CCCO)Nc1ccccc1 Amb21984572 [1,0,0,0,0,0|2,0,1]=4 52 B13R1.44 CCCCC(O)Cc1ccccc1 Amb4034774 [1,0,0,0,0,0|2,0,1]=4 53 B13R1.44 CCCCN(C)Cc1ccccc1 Amb1828371 [1,0,0,0,0,0|2,0,1]=4 54 B13R1.44 CCCNC(C)Cc1ccccc1 Amb18180702 [1,0,0,0,0,0|0,0,1]=2 55 B13R1.44 CN(CCC#N)Cc1ccccc1 Amb577252 [1,0,0,0,0,0|1,0,0]=2 56 B13R1.44 CN(CCC#N)Cc1ccccn1 Amb6670236 [1,0,0,0,0,0|2,0,0]=3 57 B13R1.44 CN(CCC#N)Cc1cccnc1 Amb6670237 [1,0,0,0,0,0|2,0,0]=3 58 B13R1.44 CN(CCC#N)Cc1ccncc1 Amb6670146 [1,0,0,0,0,0|2,0,0]=3 59 B13R1.44 CN(CCCBr)Cc1ccccc1 Amb27235848 [1,0,0,0,0,0|2,0,1]=4 60 B13R1.44 CN(CCCCl)Cc1ccccc1 Amb17337263 [1,0,0,0,0,0|2,0,1]=4 61 B13R1.44 CN(CCCN)Cc1ccccc1 Amb22001972 [1,0,0,0,0,0|1,0,2]=4 62 B13R1.44 CN(CCCN)Cc1ccccc1 Amb2371220 [1,0,0,0,0,0|1,0,2]=4 63 B13R1.44 CN(CCCO)Cc1ccccc1 Amb9246592 [1,0,0,0,0,0|2,0,1]=4 64 B13R1.44 CN(CCON)Cc1ccccc1 Amb17104856 [1,0,0,0,0,0|2,0,1]=4 65 B13R1.44 CNCCN(C)Cc1ccccc1 Amb6715270 [1,0,0,0,0,0|3,0,0]=4 66 B13R1.44 C\C(=C/c1ccccc1)CCC#N Amb33476436 [1,0,0,0,0,0|0,0,2]=3 67 B13R1.44 N#CCCC(=O)Nc1ccccc1 Amb17334976 [1,0,0,0,0,0|2,0,1]=4 68 B13R1.44 N#CCCC(=O)Oc1ccccc1 Amb17335036 [1,0,0,0,0,0|2,0,1]=4 69 B13R1.44 N#CCNC(=O)Cc1ccccc1 Amb6347217 [1,0,0,0,0,0|1,0,1]=3 70 B13R1.44 N#CCNC(=O)Cc1ccccn1 Amb28043853 [1,0,0,0,0,0|2,0,1]=4 71 B13R1.44 N#CCNC(=O)Nc1ccccc1 Amb8040596 [1,0,0,0,0,0|2,0,1]=4 72 B13R1.44 N#C\C=C\C(N)Cc1ccccc1 Amb28292663 [1,0,0,0,0,0|1,0,2]=4 73 B13R1.44 NC(CCCO)Cc1ccccc1 Amb9782428 [1,0,0,0,0,0|2,0,1]=4 74 B13R1.44 NCCNC(=O)Cc1ccccc1 Amb33527053 [1,0,0,0,0,0|1,0,2]=4 75 B13R1.44 NCCNC(=O)Cc1ccccc1 Amb6245780 [1,0,0,0,0,0|1,0,2]=4 76 B13R1.44 O=C(Cc1ccccc1)NCCCl Amb2429404 [1,0,0,0,0,0|2,0,1]=4 77 B13R1.44 O=C(Cc1ccccc1)NCCO Amb2437031 [1,0,0,0,0,0|2,0,1]=4 78 B15R1.83 C#CCNCCN(C)Cc1ccccc1 Amb27955796 [0,1,0,0,0,0|3,0,0]=4 79 B15R1.83 CN(CCCCC#N)Cc1ccccc1 Amb22340408 [0,1,0,0,0,0|2,0,0]=3 80 B15R1.93 CC(NCCCO)C(O)c1ccccc1 Amb18604506 [0,1,0,0,0,0|1,0,1]=3 81 B15R1.93 CCCCNC(C)C(O)c1ccccc1 Amb18604512 [0,1,0,0,0,0|1,0,1]=3 82 B15R1.93 COCCNC(C)C(O)c1ccccc1 Amb18604524 [0,1,0,0,0,0|2,0,0]=3 83 B15R1.128 CC(Cc1ccc(N)cc1)NCCCO Amb18550312 [0,1,0,0,0,0|1,0,1]=3 84 B15R1.128 CCCCNC(C)Cc1ccc(Br)cc1 Amb9561644 [0,1,0,0,0,0|1,0,1]=3 85 B15R1.128 CCCCNC(C)Cc1ccc(C)cc1 Amb18053926 [0,1,0,0,0,0|1,0,1]=3 86 B15R1.128 CCCCNC(C)Cc1ccc(N)cc1 Amb18050262 [0,1,0,0,0,0|1,0,1]=3 87 B15R1.128 COCCNC(C)Cc1ccc(Br)cc1 Amb18553086 [0,1,0,0,0,0|2,0,0]=3 88 B15R1.128 COCCNC(C)Cc1ccc(C)cc1 Amb18553082 [0,1,0,0,0,0|2,0,0]=3 89 B15R1.128 COCCNC(C)Cc1ccc(Cl)cc1 Amb18553087 [0,1,0,0,0,0|2,0,0]=3 90 B15R1.128 COCCNC(C)Cc1ccc(N)cc1 Amb18050738 [0,1,0,0,0,0|2,0,0]=3 91 B15R1.128 N#CCCNC(=O)Cc1ccc(Cl)cc1 Amb17406222 [0,1,0,0,0,0|1,0,1]=3 92 B15R1.128 N#CCCNC(=O)Cc1ccc(F)cc1 Amb17403200 [0,1,0,0,0,0|1,0,1]=3 93 B15R1.129 C#CCCNC(=O)Cc1cccc(C)c1 Amb21942378 [0,1,0,0,0,0|2,0,1]=4 94 B15R1.129 CCCCNC(C)Cc1cccc(Br)c1 Amb18053952 [0,1,0,0,0,0|1,0,1]=3 95 B15R1.129 COCCNC(C)Cc1cccc(Br)c1 Amb18054021 [0,1,0,0,0,0|2,0,0]=3 96 B15R1.551 CC(CNC#N)N(C)Cc1ccccc1 Amb28066944 [0,1,0,0,0,0|3,0,0]=4 97 B15R1.551 CN(CCC#N)C(=O)Cc1ccccc1 Amb6669893 [0,1,0,0,0,0|1,0,1]=3 98 B15R1.551 CN(Cc1ccccc1)C(=O)CCC#N Amb17337777 [0,1,0,0,0,0|2,0,0]=3 99 B15R1.809 CC(Cc1ccccc1)NC(=O)CCBr Amb17327276 [0,1,0,0,0,0|1,0,2]=4 100 B15R1.1035 CCC(Cc1ccccc1)NCCCO Amb33363068 [0,1,0,0,0,0|1,0,1]=3 101 B15R1.1035 CCC(Cc1ccccc1)NCCOC Amb33363066 [0,1,0,0,0,0|2,0,0]=3 102 B15R2.15 C#CC1CCN(Cc2ccccc2)C1 Amb27966751 [0,0,0,1,0,0|3,0,0]=4 103 B15R2.15 CNC1COC(Cc2ccccc2)C1 Amb35726791 [0,0,0,1,0,0|3,0,0]=4 104 B15R2.15 N#CC1CCN(Cc2ccccc2)C1 Amb13887217 [0,0,0,1,0,0|2,0,0]=3 105 B15R2.15 N#CC1CCN(Cc2ccccc2)C1 Amb2695880 [0,0,0,1,0,0|2,0,0]=3 106 B15R2.15 N#CC1CCN(Cc2ccccn2)C1 Amb24424938 [0,0,0,1,0,0|3,0,0]=4 107 B15R2.15 N#CC1CCN(Cc2cccnc2)C1 Amb25282968 [0,0,0,1,0,0|3,0,0]=4 108 B15R2.15 N#CC1CCN(Cc2ccncc2)C1 Amb25716935 [0,0,0,1,0,0|3,0,0]=4 109 B15R2.15 N#C[C@@H]1CCN(Cc2ccccc2)C1 Amb28072861 [0,0,0,1,0,0|2,0,0]=3 110 B15R2.15 N#C[C@H]1CCN(Cc2ccccc2)C1 Amb8630597 [0,0,0,1,0,0|2,0,0]=3 111 B15R2.15 OCC1CNC(Cc2ccccc2)C1 Amb28051536 [0,0,0,1,0,0|1,0,1]=3 112 B15R2.31 BrC1CCOC(Cc2ccccc2)C1 Amb28343665 [0,0,0,1,0,0|2,0,1]=4 113 B15R2.31 C=C1CCNC(Cc2ccccc2)C1 Amb18649678 [0,0,0,1,0,0|1,0,1]=3 114 B15R2.31 CC1CCNC(Cc2ccncc2)C1 Amb27229703 [0,0,0,1,0,0|2,0,1]=4 115 B15R2.31 CN1CCNC(Cc2ccccc2)C1 Amb18564794 [0,0,0,1,0,0|2,0,0]=3 116 B15R2.31 CN1CCNC(Cc2ccccn2)C1 Amb18565005 [0,0,0,1,0,0|3,0,0]=4 117 B15R2.31 CN1CCNC(Cc2cccnc2)C1 Amb18565009 [0,0,0,1,0,0|3,0,0]=4 118 B15R2.31 CN1CCNC(Cc2ccncc2)C1 Amb18565013 [0,0,0,1,0,0|3,0,0]=4 119 B15R2.31 CN1CCN[C@@H](Cc2ccccc2)C1 Amb27791815 [0,0,0,1,0,0|2,0,0]=3 120 B15R2.31 CN1CCN[C@H](Cc2ccccc2)C1 Amb25381177 [0,0,0,1,0,0|2,0,0]=3 121 B15R2.31 O=C1CCNC(Cc2ccccc2)C1 Amb28457239 [0,0,0,1,0,0|1,0,1]=3 122 B15R2.31 O=C1CCOC(Cc2ccccc2)C1 Amb27746791 [0,0,0,1,0,0|2,0,1]=4 123 B15R2.31 OC1CCNC(Cc2ccccc2)C1 Amb27958553 [0,0,0,1,0,0|1,0,1]=3 124 B15R2.31 O[C@@H]1CCO[C@H](Cc2ccccc2)C1 Amb27854204 [0,0,0,1,0,0|2,0,1]=4 125 B15R2.31 O[C@H]1CCO[C@@H](Cc2ccccc2)C1 Amb28053794 [0,0,0,1,0,0|2,0,1]=4 126 B15R2.54 CC1CCCCNC1c2ccccc2 Amb27398689 [0,0,0,1,0,0|1,0,2]=4 127 B15R2.64 CC(Cc1ccccc1)C2CCCN2 Amb27660900 [0,0,0,1,0,0|1,0,2]=4 128 B15R2.64 CC(Cc1ccccc1)C2CCNC2 Amb28293184 [0,0,0,1,0,0|3,0,0]=4 129 B15R2.405 CC1(Cc2ccccc2)NCCC1=O Amb27196734 [0,0,0,1,0,0|1,0,1]=3 130 B15R2.541 CC1NCCN(C)C1c2ccccc2 Amb27183482 [0,0,0,1,0,0|2,0,0]=3 131 B15R2.851 C#CCN1NC1(C)Cc2ccccc2 Amb27603348 [0,0,0,1,0,0|2,0,0]=3 132 B15R2.1435 C#CCCn1c(C)nc2ccccc21 Amb27845327 [0,0,0,1,0,0|2,0,1]=4 133 B15R2.1435 CC1Cc2ccccc2N1CCCCl Amb17339429 [0,0,0,1,0,0|1,0,1]=3 134 B15R2.1435 CC1Cc2ccccc2N1CCCN Amb9712209 [0,0,0,1,0,0|0,0,2]=3 135 B15R2.1435 CNCCN1c2ccccc2CC1C Amb6715358 [0,0,0,1,0,0|2,0,0]=3 136 B15R2.1435 Cc1cc2ccccc2n1CCC#N Amb27631702 [0,0,0,1,0,0|0,0,2]=3 137 B15R2.1435 Cc1nc2ccccc2n1CCC#N Amb1760922 [0,0,0,1,0,0|1,0,1]=3 138 B15R2.1435 Cc1nc2cccnc2n1CCC#N Amb27611707 [0,0,0,1,0,0|2,0,1]=4 139 B15R2.1435 Cn1nc2ccccc2c1CCC#N Amb33312146 [0,0,0,1,0,0|3,0,0]=4 140 B15R2.1435 N#CCCN1C(=O)Nc2ccccc21 Amb27856995 [0,0,0,1,0,0|2,0,1]=4 141 B15R2.1435 N#CCCN1C(=O)Oc2ccccc21 Amb18329835 [0,0,0,1,0,0|2,0,1]=4 142 B15R2.1435 N#CCCN1C(=O)Sc2ccccc21 Amb20655402 [0,0,0,1,0,0|2,0,1]=4 143 B15R2.1435 N#CCCn1c(=S)sc2ccccc21 Amb9685618 [0,0,0,1,0,0|2,0,1]=4 144 B15R2.1435 N#CCCn1c(Cl)nc2ccccc21 Amb610026 [0,0,0,1,0,0|2,0,1]=4 145 B15R2.1435 N#CCCn1c(S)nc2ccccc21 Amb1151846 [0,0,0,1,0,0|2,0,1]=4 146 B15R2.2167 c1ccc(CC2CCCCCN2)nc1 Amb2237254 [0,0,0,1,0,0|2,0,1]=4 147 B15R2.2167 c1ccc(CC2CCCCNC2)cc1 Amb25167909 [0,0,0,1,0,0|1,0,2]=4 148 B15R2.2167 c1ccc(CC2CCCNCC2)cc1 Amb27629922 [0,0,0,1,0,0|3,0,0]=4 149 B15R2.2203 C#CCCCC1Cc2ccccc2N1 Amb28120728 [0,0,0,1,0,0|3,0,0]=4 150 B15R2.2203 C#CCCCN1Cc2ccccc2C1 Amb28120952 [0,0,0,1,0,0|3,0,0]=4 151 B15R2.2203 C#CCONC1Cc2ccccc2C1 Amb27662747 [0,0,0,1,0,0|2,0,0]=3 152 B15R2.2203 CCCCNC1Cc2ccccc2C1 Amb9373599 [0,0,0,1,0,0|1,0,1]=3 153 B15R2.2203 COCCNC1Cc2ccccc2C1 Amb9373553 [0,0,0,1,0,0|2,0,0]=3 154 B15R2.2203 N#CCCCN1Cc2ccccc2C1 Amb17480642 [0,0,0,1,0,0|2,0,0]=3 155 B15R2.2203 N#CCCNc1nc2ccccc2o1 Amb18649575 [0,0,0,1,0,0|2,0,1]=4 156 B15R2.2203 N#CCNCC1Cc2ccccc2O1 Amb18971196 [0,0,0,1,0,0|3,0,0]=4 157 B15R2.2203 N#CN\C=N\C1Cc2ccccc2C1 Amb27751874 [0,0,0,1,0,0|1,0,2]=4 158 B15R2.2203 NCCCCC1Cc2ccccc2C1 Amb32953585 [0,0,0,1,0,0|1,0,2]=4 159 B15R2.2203 NCCCOC1Cc2ccccc2C1 Amb33342309 [0,0,0,1,0,0|1,0,2]=4 160 B15R2.2203 O=CCCCC1Cc2ccccc2C1 Amb33342528 [0,0,0,1,0,0|2,0,1]=4 161 B15R2.2203 OCCCNC1Cc2ccccc2C1 Amb9373778 [0,0,0,1,0,0|1,0,1]=3 162 B15R2.2280 CC1OCC(CO)C1c2ccccc2 Amb28400970 [0,0,0,1,0,0|2,0,1]=4 163 B15R2.4392 CC1CN(CC#N)c2ccccc2O1 Amb17307942 [0,0,0,1,0,0|3,0,0]=4 164 B15R2.4392 CC1Cc2ccccc2N(CC#N)C1 Amb28207610 [0,0,0,1,0,0|2,0,0]=3 165 B15R2.4392 C\C=C\C1NC(C)Cc2ccccc21 Amb27259519 [0,0,0,1,0,0|1,0,2]=4 166 B15R2.4815 CC[C@@H]1CN[C@@H](C)Cc2ccccc21 Amb27965431 [0,0,0,1,0,0|1,0,1]=3 167 B15R2.4815 CC[C@H]1CN[C@H](C)Cc2ccccc21 Amb28071179 [0,0,0,1,0,0|1,0,1]=3 168 B15R2.7956 CC1(Cc2ccccc2)CCCNC1 Amb27748302 [0,0,0,1,0,0|3,0,0]=4 169 B15R2.7956 CC1(Cc2ccccc2)CNCCO1 Amb26644633 [0,0,0,1,0,0|3,0,0]=4 170 B15R2.7956 CC1(Cc2ccccc2)NCCCS1 Amb28190693 [0,0,0,1,0,0|1,0,1]=3 171 B15R2.7956 C[C@@]1(Cc2ccccc2)CNCCN1 Amb27444134 [0,0,0,1,0,0|2,0,0]=3 172 B15R2.7956 OC1(Cc2ccccc2)CCCCN1 Amb27232707 [0,0,0,1,0,0|2,0,1]=4 173 B13R1.24 C#C\C=C\NC(C)c1ccccc1 Amb28186509 [0,0,0,0,1,0|1,0,2]=4 174 B13R1.24 C=CCCN[C@H](C)c1ccccc1 Amb33624938 [0,0,0,0,1,0|1,0,1]=3 175 B13R1.24 CC#CCNC(C)c1ccccn1 Amb18804162 [0,0,0,0,1,0|2,0,1]=4 176 B13R1.24 CC#CCNC(C)c1cccnc1 Amb18183864 [0,0,0,0,1,0|2,0,1]=4 177 B13R1.24 CC#CCNC(C)c1ccncc1 Amb18804161 [0,0,0,0,1,0|2,0,1]=4 178 B13R1.24 CC#CCN[C@H](C)c1ccccc1 Amb28119750 [0,0,0,0,1,0|1,0,1]=3 179 B13R1.24 CC(NCCC#N)c1ccccc1 Amb6736425 [0,0,0,0,1,0|0,0,0]=1 180 B13R1.24 CC(NCCCN)c1ccccc1 Amb17315288 [0,0,0,0,1,0|0,0,2]=3 181 B13R1.24 CC(NCCCO)c1ccccc1 Amb4422879 [0,0,0,0,1,0|1,0,1]=3 182 B13R1.24 CC(NCCCO)c1ccccn1 Amb1071370 [0,0,0,0,1,0|2,0,1]=4 183 B13R1.24 CC(NCCCO)c1cccnc1 Amb1070102 [0,0,0,0,1,0|2,0,1]=4 184 B13R1.24 CC(NCCCO)c1ccncc1 Amb6356073 [0,0,0,0,1,0|2,0,1]=4 185 B13R1.24 CC(OCCC#N)c1ccccc1 Amb6259524 [0,0,0,0,1,0|1,0,0]=2 186 B13R1.24 CC(OCCCN)c1ccccc1 Amb9729503 [0,0,0,0,1,0|1,0,2]=4 187 B13R1.24 CC(SCCCN)c1ccccc1 Amb17500696 [0,0,0,0,1,0|1,0,2]=4 188 B13R1.24 CCCCNC(C)c1ccccc1 Amb33548283 [0,0,0,0,1,0|1,0,1]=3 189 B13R1.24 CCCCNC(C)c1ccccc1 Amb4313706 [0,0,0,0,1,0|1,0,1]=3 190 B13R1.24 CCCCNC(C)c1ccccn1 Amb6691018 [0,0,0,0,1,0|2,0,1]=4 191 B13R1.24 CCCCNC(C)c1cccnc1 Amb6691020 [0,0,0,0,1,0|2,0,1]=4 192 B13R1.24 CCCCNC(C)c1ccncc1 Amb6691019 [0,0,0,0,1,0|2,0,1]=4 193 B13R1.24 COCCNC(C)c1ccccc1 Amb6685616 [0,0,0,0,1,0|2,0,0]=3 194 B13R1.24 COCCNC(C)c1ccccn1 Amb6685634 [0,0,0,0,1,0|3,0,0]=4 195 B13R1.24 COCCNC(C)c1cccnc1 Amb6685636 [0,0,0,0,1,0|3,0,0]=4 196 B13R1.24 N#CCCCC(=O)c1ccccc1 Amb4376113 [0,0,0,0,1,0|2,0,1]=4 197 B13R1.24 N#CCCCC(N)c1ccccc1 Amb26304186 [0,0,0,0,1,0|2,0,0]=3 198 B13R1.24 N#CCCCC(N)c1ccccc1 Amb32661175 [0,0,0,0,1,0|2,0,0]=3 199 B13R1.24 N#CCCNC(=O)c1ccccc1 Amb17400429 [0,0,0,0,1,0|1,0,1]=3 200 B13R1.24 N#CCCNC(=O)c1cccnc1 Amb17400486 [0,0,0,0,1,0|2,0,1]=4 201 B13R1.24 N#CCCNC(=O)c1ccncc1 Amb10573746 [0,0,0,0,1,0|2,0,1]=4 202 B13R1.24 N#CCCOC(=O)c1ccccc1 Amb28556109 [0,0,0,0,1,0|2,0,1]=4 203 B13R1.24 N#CCC\N=C(\N)c1ccccc1 Amb25815391 [0,0,0,0,1,0|1,0,2]=4 204 B13R1.156 COCCNC(C)Cc1cccs1 Amb18054012 [0,0,0,0,1,0|3,0,0]=4 205 B13R1.156 N#CCCNC(=O)Cc1cccs1 Amb17401899 [0,0,0,0,1,0|2,0,1]=4 206 B15R1.78 C#CCCNC(=N)NCc1ccccc1 Amb28249632 [0,0,0,0,0,1|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 C=CCCCC(C)NCc1ccccc1 Amb27767197 [0,0,0,0,0,1|2,0,1]=4 210 B15R1.78 CC(CCCCCl)NCc1ccccc1 Amb28346093 [0,0,0,0,0,1|2,0,1]=4 211 B15R1.78 CC(CCCCN)NCc1ccccc1 Amb28254223 [0,0,0,0,0,1|1,0,2]=4 212 B15R1.78 CC(CCc1ccccc1)NCCC#N Amb1805915 [0,0,0,0,0,1|0,0,0]=1 213 B15R1.78 CC(CCc1ccccc1)NCCCO Amb6733614 [0,0,0,0,0,1|1,0,1]=3 214 B15R1.78 CCCCC[C@@H](C)NCc1ccccc1 Amb27774019 [0,0,0,0,0,1|2,0,1]=4 215 B15R1.78 CCCCNC(C)COc1ccccc1 Amb4022456 [0,0,0,0,0,1|1,0,1]=3 216 B15R1.78 COCCNC(C)CCc1ccccc1 Amb6685614 [0,0,0,0,0,1|2,0,0]=3 217 B15R1.78 COCCOC(C)OCc1ccccc1 Amb27446668 [0,0,0,0,0,1|3,0,0]=4 218 B15R1.78 N#CCCNC(=O)OCc1ccccc1 Amb18654632 [0,0,0,0,0,1|1,0,1]=3 219 B15R1.78 N#CCCNC(=S)NCc1ccccc1 Amb26887074 [0,0,0,0,0,1|1,0,1]=3 220 B12R1.8 BrCCCCCc1ccccc1 Amb2685449 [2,0,0,0,0,0|1,0,1]=4 221 B12R1.8 BrCCOCCc1ccccc1 Amb9208563 [2,0,0,0,0,0|2,0,0]=4 222 B12R1.8 C#CCCCCc1ccccc1 Amb18116407 [2,0,0,0,0,0|1,0,0]=3 223 B12R1.8 C#CCCCNc1ccccc1 Amb28186421 [2,0,0,0,0,0|2,0,0]=4 224 B12R1.8 C#CCCCOc1ccccc1 Amb32955621 [2,0,0,0,0,0|2,0,0]=4 225 B12R1.8 C#CCCNCc1ccccc1 Amb26644765 [2,0,0,0,0,0|1,0,0]=3 226 B12R1.8 C#CCCOCc1ccccc1 Amb27668798 [2,0,0,0,0,0|2,0,0]=4 227 B12R1.8 C#CCNCCc1ccccc1 Amb5262796 [2,0,0,0,0,0|0,0,1]=3 228 B12R1.8 C#CCNOCc1ccccc1 Amb25282219 [2,0,0,0,0,0|1,0,1]=4 229 B12R1.8 C=CCCCCc1ccccc1 Amb19930233 [2,0,0,0,0,0|1,0,1]=4 230 B12R1.8 C=CCCNCc1ccccc1 Amb6384625 [2,0,0,0,0,0|1,0,1]=4 231 B12R1.8 C=CCNCCc1ccccc1 Amb2119614 [2,0,0,0,0,0|0,0,2]=4 232 B12R1.8 C=CCNCCc1ccccc1 Amb6683808 [2,0,0,0,0,0|0,0,2]=4 233 B12R1.8 CC#CCCCc1ccccc1 Amb4035132 [2,0,0,0,0,0|1,0,1]=4 234 B12R1.8 CC#CCNCc1ccccc1 Amb10233665 [2,0,0,0,0,0|1,0,1]=4 235 B12R1.8 CC#CCNCc1ccccc1 Amb4084953 [2,0,0,0,0,0|1,0,1]=4 236 B12R1.8 CCCCCCc1ccccc1 Amb6613187 [2,0,0,0,0,0|1,0,1]=4 237 B12R1.8 CCCCNCc1ccccc1 Amb2684625 [2,0,0,0,0,0|1,0,1]=4 238 B12R1.8 CCCNCCc1ccccc1 Amb2119486 [2,0,0,0,0,0|0,0,1]=3 239 B12R1.8 CCCNCCc1ccccc1 Amb4358610 [2,0,0,0,0,0|0,0,1]=3 240 B12R1.8 CCCNCCc1ccccn1 Amb6357625 [2,0,0,0,0,0|1,0,1]=4 241 B12R1.8 CCCNCCc1ccncc1 Amb2592521 [2,0,0,0,0,0|1,0,1]=4 242 B12R1.8 CCCNOCc1ccccc1 Amb26553937 [2,0,0,0,0,0|1,0,1]=4 243 B12R1.8 CNCCCCc1ccccc1 Amb10068774 [2,0,0,0,0,0|2,0,0]=4 244 B12R1.8 CNCCCCc1ccccc1 Amb8841760 [2,0,0,0,0,0|2,0,0]=4 245 B12R1.8 CNCCNCc1ccccc1 Amb9200691 [2,0,0,0,0,0|2,0,0]=4 246 B12R1.8 COCCNCc1ccccc1 Amb33387674 [2,0,0,0,0,0|2,0,0]=4 247 B12R1.8 COCCNCc1ccccc1 Amb6410960 [2,0,0,0,0,0|2,0,0]=4 248 B12R1.8 ClCCCCCc1ccccc1 Amb10808064 [2,0,0,0,0,0|1,0,1]=4 249 B12R1.8 ClCCCNCc1ccccc1 Amb10766327 [2,0,0,0,0,0|1,0,1]=4 250 B12R1.8 ClCCCNCc1ccccc1 Amb27857637 [2,0,0,0,0,0|1,0,1]=4 251 B12R1.8 ClCCNOCc1ccccc1 Amb27659332 [2,0,0,0,0,0|2,0,0]=4 252 B12R1.8 FCCCNCc1ccccc1 Amb27172983 [2,0,0,0,0,0|1,0,1]=4 253 B12R1.8 ICCCCCc1ccccc1 Amb32411025 [2,0,0,0,0,0|1,0,1]=4 254 B12R1.8 N#CCCCCc1ccccc1 Amb8392139 [2,0,0,0,0,0|0,0,0]=2 255 B12R1.8 N#CCCCNc1ccccn1 Amb27971997 [2,0,0,0,0,0|2,0,0]=4 256 B12R1.8 N#CCCCOc1ccccc1 Amb446865 [2,0,0,0,0,0|1,0,0]=3 257 B12R1.8 N#CCCCOc1ccccn1 Amb19374567 [2,0,0,0,0,0|2,0,0]=4 258 B12R1.8 N#CCCNCc1ccccc1 Amb4244013 [2,0,0,0,0,0|0,0,0]=2 259 B12R1.8 N#CCCNCc1ccccc1 Amb575385 [2,0,0,0,0,0|0,0,0]=2 260 B12R1.8 N#CCCNCc1ccccn1 Amb6736564 [2,0,0,0,0,0|1,0,0]=3 261 B12R1.8 N#CCCNCc1cccnc1 Amb1651452 [2,0,0,0,0,0|1,0,0]=3 262 B12R1.8 N#CCCNCc1ccncc1 Amb2724266 [2,0,0,0,0,0|1,0,0]=3 263 B12R1.8 N#CCCNNc1ccccc1 Amb17594020 [2,0,0,0,0,0|1,0,0]=3 264 B12R1.8 N#CCCOCc1ccccc1 Amb6257990 [2,0,0,0,0,0|1,0,0]=3 265 B12R1.8 N#CCCSCc1ccccc1 Amb4010928 [2,0,0,0,0,0|1,0,0]=3 266 B12R1.8 N#CCC\C=C\c1ccccc1 Amb33081785 [2,0,0,0,0,0|0,0,2]=4 267 B12R1.8 N#CCNCCc1ccccc1 Amb6711714 [2,0,0,0,0,0|0,0,0]=2 268 B12R1.8 N#CCOCCc1ccccc1 Amb3992260 [2,0,0,0,0,0|1,0,0]=3 269 B12R1.8 N#CCOCCc1ccccn1 Amb9208820 [2,0,0,0,0,0|2,0,0]=4 270 B12R1.8 NCCCCCc1ccccc1 Amb18034503 [2,0,0,0,0,0|0,0,2]=4 271 B12R1.8 NCCCNCc1ccccc1 Amb17720405 [2,0,0,0,0,0|0,0,2]=4 272 B12R1.8 NCCCNCc1ccccc1 Amb6774034 [2,0,0,0,0,0|0,0,2]=4 273 B12R1.8 NCCNCCc1ccccc1 Amb1086596 [2,0,0,0,0,0|0,0,1]=3 274 B12R1.8 NCCNOCc1ccccc1 Amb26336084 [2,0,0,0,0,0|1,0,1]=4 275 B12R1.8 NCCNOCc1ccccc1 Amb32645664 [2,0,0,0,0,0|1,0,1]=4 276 B12R1.8 NCCOCCc1ccccc1 Amb33547794 [2,0,0,0,0,0|1,0,1]=4 277 B12R1.8 NCCOCCc1ccccc1 Amb7790966 [2,0,0,0,0,0|1,0,1]=4 278 B12R1.8 O=CCCCCc1ccccc1 Amb18798121 [2,0,0,0,0,0|1,0,1]=4 279 B12R1.8 OCCCNCc1ccccc1 Amb2221510 [2,0,0,0,0,0|1,0,1]=4 280 B12R1.8 OCCCNCc1ccccc1 Amb4017628 [2,0,0,0,0,0|1,0,1]=4 281 B12R1.8 OCCNCCc1ccccc1 Amb6711760 [2,0,0,0,0,0|1,0,0]=3 282 B12R1.8 OCCNCCc1ccncc1 Amb1028249 [2,0,0,0,0,0|2,0,0]=4 283 B12R1.8 OCCNOCc1ccccc1 Amb27658441 [2,0,0,0,0,0|2,0,0]=4 284 B12R1.8 OCCOCCc1ccccc1 Amb18801040 [2,0,0,0,0,0|2,0,0]=4 285 B12R1.8 ONCCCCc1ccccc1 Amb32679349 [2,0,0,0,0,0|2,0,0]=4 286 B12R1.8 ONCCCCc1ccccc1 Amb32679459 [2,0,0,0,0,0|2,0,0]=4 287 B12R1.8 [C-]#[N+]CCCCc1ccccc1 Amb2690273 [2,0,0,0,0,0|2,0,0]=4 288 B12R1.32 C#CCC(N)Cc1ccccc1 Amb18296094 [2,0,0,0,0,0|1,0,1]=4 289 B12R1.32 C#CCC(N)Cc1ccccc1 Amb32652619 [2,0,0,0,0,0|1,0,1]=4 290 B12R1.32 C#CCC(O)Cc1ccccc1 Amb18800362 [2,0,0,0,0,0|1,0,1]=4 291 B12R1.32 C#CCN(C)Cc1ccccc1 Amb3940470 [2,0,0,0,0,0|1,0,1]=4 292 B12R1.32 C#CCN(C)Cc1ccccc1 Amb8390240 [2,0,0,0,0,0|1,0,1]=4 293 B12R1.32 CC(CC#N)Nc1ccccc1 Amb17138511 [2,0,0,0,0,0|1,0,0]=3 294 B12R1.32 CC(CC#N)Oc1ccccc1 Amb17232369 [2,0,0,0,0,0|1,0,0]=3 295 B12R1.32 CC(CC#N)Sc1ccccn1 Amb18180844 [2,0,0,0,0,0|2,0,0]=4 296 B12R1.32 CC(CCN)Cc1ccccc1 Amb17232439 [2,0,0,0,0,0|0,0,1]=3 297 B12R1.32 CC(CCN)Oc1ccccc1 Amb17232556 [2,0,0,0,0,0|1,0,1]=4 298 B12R1.32 CC(CCO)Cc1ccccc1 Amb17232486 [2,0,0,0,0,0|1,0,0]=3 299 B12R1.32 CC(CCO)Oc1ccccc1 Amb17232598 [2,0,0,0,0,0|2,0,0]=4 300 B12R1.32 CC(CON)Cc1ccccc1 Amb32953166 [2,0,0,0,0,0|1,0,1]=4 301 B12R1.32 CC(Cc1ccccc1)NC=O Amb8503525 [2,0,0,0,0,0|1,0,1]=4 302 B12R1.32 CC(Cc1ccccn1)NC#N Amb35596321 [2,0,0,0,0,0|1,0,0]=3 303 B12R1.32 CCCC(C)Nc1ccccc1 Amb6685188 [2,0,0,0,0,0|1,0,1]=4 304 B12R1.32 CCCC(N)Cc1ccccc1 Amb18180073 [2,0,0,0,0,0|1,0,1]=4 305 B12R1.32 CCNC(C)Cc1ccccc1 Amb18552940 [2,0,0,0,0,0|0,0,0]=2 306 B12R1.32 CCNC(C)Cc1ccccn1 Amb1995151 [2,0,0,0,0,0|1,0,0]=3 307 B12R1.32 CCNC(C)Cc1cnccn1 Amb1995172 [2,0,0,0,0,0|2,0,0]=4 308 B12R1.32 CN(CC#N)Cc1ccccc1 Amb5781387 [2,0,0,0,0,0|1,0,0]=3 309 B12R1.32 CN(CC#N)Cc1ccccn1 Amb9427836 [2,0,0,0,0,0|2,0,0]=4 310 B12R1.32 CN(CC#N)Cc1cccnc1 Amb9426260 [2,0,0,0,0,0|2,0,0]=4 311 B12R1.32 CN(CC#N)Cc1ccncc1 Amb9427039 [2,0,0,0,0,0|2,0,0]=4 312 B12R1.32 CN(CCBr)Cc1ccccc1 Amb24357900 [2,0,0,0,0,0|2,0,0]=4 313 B12R1.32 CN(CCBr)Cc1ccccc1 Amb32882453 [2,0,0,0,0,0|2,0,0]=4 314 B12R1.32 CN(CCCl)Cc1ccccc1 Amb19895292 [2,0,0,0,0,0|2,0,0]=4 315 B12R1.32 CN(CCCl)Cc1ccccc1 Amb3940690 [2,0,0,0,0,0|2,0,0]=4 316 B12R1.32 CN(CCN)Cc1ccccc1 Amb5357836 [2,0,0,0,0,0|1,0,1]=4 317 B12R1.32 CN(CCO)Cc1ccccc1 Amb3938987 [2,0,0,0,0,0|2,0,0]=4 318 B12R1.32 CN(CCS)Cc1ccccc1 Amb13881720 [2,0,0,0,0,0|2,0,0]=4 319 B12R1.32 CNCC(C)Cc1ccccc1 Amb19023878 [2,0,0,0,0,0|1,0,1]=4 320 B12R1.32 CONC(C)Cc1ccccc1 Amb28984063 [2,0,0,0,0,0|1,0,0]=3 321 B12R1.32 C[C@H](Cc1ccccc1)NC=S Amb27209575 [2,0,0,0,0,0|1,0,1]=4 322 B12R1.32 C\C(=C/c1ccccc1)CC#N Amb33476434 [2,0,0,0,0,0|0,0,2]=4 323 B12R1.32 N#CCC(=O)Cc1ccccc1 Amb17232286 [2,0,0,0,0,0|1,0,1]=4 324 B12R1.32 N#CCC(O)Cc1ccccc1 Amb17232368 [2,0,0,0,0,0|1,0,0]=3 325 B12R1.32 N#CC[C@@H](N)Cc1ccccc1 Amb27251534 [2,0,0,0,0,0|1,0,0]=3 326 B12R1.32 NC(CCO)Cc1ccccc1 Amb28872403 [2,0,0,0,0,0|2,0,0]=4 327 B12R1.32 NC(CCO)Cc1ccccc1 Amb8392175 [2,0,0,0,0,0|2,0,0]=4 328 B12R1.32 NCCC(F)Cc1ccccc1 Amb32954290 [2,0,0,0,0,0|1,0,1]=4 329 B12R1.32 NCCC(N)Cc1ccccc1 Amb33039576 [2,0,0,0,0,0|1,0,1]=4 330 B12R1.32 NCCC(O)Cc1ccccc1 Amb17232552 [2,0,0,0,0,0|1,0,1]=4 331 B12R1.32 NCC[C@@H](O)Cc1ccccc1 Amb32953160 [2,0,0,0,0,0|1,0,1]=4 332 B12R1.32 NCC[C@H](O)Cc1ccccc1 Amb32953161 [2,0,0,0,0,0|1,0,1]=4 333 B14R1.14 CCCCNCCc1ccc(Br)cc1 Amb18053697 [1,1,0,0,0,0|1,0,1]=4 334 B14R1.14 COCCNCCc1ccc(Br)cc1 Amb18053716 [1,1,0,0,0,0|2,0,0]=4 335 B14R1.14 Cc1ccc(CCNCCCN)cc1 Amb31094290 [1,1,0,0,0,0|0,0,2]=4 336 B14R1.14 Cc1ccc(OCCCCC#N)cc1 Amb17210546 [1,1,0,0,0,0|2,0,0]=4 337 B14R1.14 N#CCCCCOc1ccc(Br)cc1 Amb32696484 [1,1,0,0,0,0|2,0,0]=4 338 B14R1.14 N#CCCCCOc1ccc(Cl)cc1 Amb17210548 [1,1,0,0,0,0|2,0,0]=4 339 B14R1.14 N#CCCNCCc1ccc(F)cc1 Amb9202478 [1,1,0,0,0,0|0,0,0]=2 340 B14R1.14 NCCCNCCc1ccc(Cl)cc1 Amb31094296 [1,1,0,0,0,0|0,0,2]=4 341 B14R1.14 NCCCNCCc1ccc(F)cc1 Amb17315308 [1,1,0,0,0,0|0,0,2]=4 342 B14R1.14 Nc1ccc(CCNCCCO)cc1 Amb18050943 [1,1,0,0,0,0|1,0,1]=4 343 B14R1.14 OCCCNCCc1ccc(F)cc1 Amb17317888 [1,1,0,0,0,0|1,0,1]=4 344 B14R1.26 CCCCNCCc1cccc(Br)c1 Amb18053729 [1,1,0,0,0,0|1,0,1]=4 345 B14R1.26 CCCCNCCc1cccc(N)c1 Amb18550381 [1,1,0,0,0,0|1,0,1]=4 346 B14R1.26 COCCNCCc1cccc(Br)c1 Amb18053754 [1,1,0,0,0,0|2,0,0]=4 347 B14R1.26 COCCNCCc1cccc(N)c1 Amb18050453 [1,1,0,0,0,0|2,0,0]=4 348 B14R1.26 Cc1cccc(CCNCCCN)c1 Amb31094289 [1,1,0,0,0,0|0,0,2]=4 349 B14R1.26 Cc1cccc(OCCCCC#N)c1 Amb17210545 [1,1,0,0,0,0|2,0,0]=4 350 B14R1.26 N#CCCCCOc1cccc(F)c1 Amb18330373 [1,1,0,0,0,0|2,0,0]=4 351 B14R1.26 NCCCNCCc1cccc(Cl)c1 Amb31094295 [1,1,0,0,0,0|0,0,2]=4 352 B14R1.26 NCCCNCCc1cccc(F)c1 Amb31094292 [1,1,0,0,0,0|0,0,2]=4 353 B14R1.26 Nc1cccc(CCNCCCO)c1 Amb18550371 [1,1,0,0,0,0|1,0,1]=4 354 B14R1.38 CCCCNCC(C)c1ccccc1 Amb2119259 [1,1,0,0,0,0|1,0,1]=4 355 B14R1.38 CCCCNCC(C)c1ccccc1 Amb6729197 [1,1,0,0,0,0|1,0,1]=4 356 B14R1.38 CCCCNCC(O)c1ccccc1 Amb9242095 [1,1,0,0,0,0|1,0,1]=4 357 B14R1.38 N#CCCCCC(=O)c1ccccc1 Amb6301774 [1,1,0,0,0,0|1,0,1]=4 358 B14R1.123 C#CCCCCOCc1ccccc1 Amb8392245 [1,1,0,0,0,0|2,0,0]=4 359 B14R1.123 CC#CCCNOCc1ccccc1 Amb28240150 [1,1,0,0,0,0|2,0,0]=4 360 B14R1.123 CCCCCNCCc1ccccc1 Amb6688086 [1,1,0,0,0,0|1,0,1]=4 361 B14R1.123 CCCCNCCCc1ccccc1 Amb10559435 [1,1,0,0,0,0|1,0,1]=4 362 B14R1.123 CCCCNCCCc1ccccc1 Amb6709575 [1,1,0,0,0,0|1,0,1]=4 363 B14R1.123 CCCCNCCOc1ccccc1 Amb17235713 [1,1,0,0,0,0|1,0,1]=4 364 B14R1.123 CCOCCNCCc1ccccc1 Amb9241005 [1,1,0,0,0,0|1,0,1]=4 365 B14R1.123 CNCCCNCCc1ccccc1 Amb6888027 [1,1,0,0,0,0|0,0,2]=4 366 B14R1.123 COCCCNCCc1ccccc1 Amb876019 [1,1,0,0,0,0|1,0,1]=4 367 B14R1.123 COCCNCCCc1ccccc1 Amb6707136 [1,1,0,0,0,0|2,0,0]=4 368 B14R1.123 COCCNCCOc1ccccc1 Amb10608623 [1,1,0,0,0,0|2,0,0]=4 369 B14R1.123 COCCNCCOc1ccccc1 Amb22587632 [1,1,0,0,0,0|2,0,0]=4 370 B14R1.123 N#CCCCCNCc1ccccc1 Amb19077443 [1,1,0,0,0,0|1,0,0]=3 371 B14R1.123 N#CCCCOCCc1ccccc1 Amb9208580 [1,1,0,0,0,0|1,0,0]=3 372 B14R1.123 N#CCCOC\C=C\c1ccccc1 Amb24113652 [1,1,0,0,0,0|1,0,1]=4 373 B14R1.123 NCCCNCCCc1ccccc1 Amb19050820 [1,1,0,0,0,0|0,0,2]=4 374 B14R1.123 NCCCNCCOc1ccccc1 Amb19080348 [1,1,0,0,0,0|0,0,2]=4 375 B14R1.123 OCCCNCCCc1ccccc1 Amb6733767 [1,1,0,0,0,0|1,0,1]=4 376 B14R1.156 C#CCCC(O)CCc1ccccc1 Amb33743358 [1,1,0,0,0,0|2,0,0]=4 377 B14R1.156 CN(CCC#N)CCc1ccncc1 Amb17120844 [1,1,0,0,0,0|1,0,0]=3 378 B14R1.156 CN(CCCN)CCc1ccccc1 Amb6670566 [1,1,0,0,0,0|0,0,2]=4 379 B14R1.156 CN(CCCO)CCc1ccccc1 Amb17336737 [1,1,0,0,0,0|1,0,1]=4 380 B14R1.156 C[C@@H](CCC#N)NCc1ccccc1 Amb28396662 [1,1,0,0,0,0|2,0,0]=4 381 B14R1.156 N#CCCC(=O)NCc1ccccc1 Amb17335974 [1,1,0,0,0,0|2,0,0]=4 382 B14R1.422 CC(O)CCNCCc1ccccc1 Amb33455982 [1,1,0,0,0,0|1,0,1]=4 383 B14R1.422 CN(C)CCNCCc1ccccc1 Amb1136705 [1,1,0,0,0,0|2,0,0]=4 384 B14R1.422 NC(=O)CCNCCc1ccccc1 Amb22587630 [1,1,0,0,0,0|0,0,2]=4 385 B14R1.422 NC(=O)CCNCCc1ccccc1 Amb8511712 [1,1,0,0,0,0|0,0,2]=4 386 B14R1.422 O=C(O)CCNCCc1ccccc1 Amb1111405 [1,1,0,0,0,0|1,0,1]=4 387 B14R1.422 O=C(O)CCNCCc1ccccc1 Amb13952728 [1,1,0,0,0,0|1,0,1]=4 388 B14R1.520 CC(CC#N)COCc1ccccc1 Amb27171216 [1,1,0,0,0,0|2,0,0]=4 389 B14R1.520 COCC(C)NCCc1ccccc1 Amb6689549 [1,1,0,0,0,0|2,0,0]=4 390 B14R1.520 N#CCC(=O)NCCc1ccccc1 Amb6334433 [1,1,0,0,0,0|0,0,1]=3 391 B14R1.520 N#CCC(=O)OCCc1ccccc1 Amb17210534 [1,1,0,0,0,0|1,0,1]=4 392 B14R1.520 N#CC[C@H](O)COCc1ccccc1 Amb27756443 [1,1,0,0,0,0|2,0,0]=4 393 B14R1.520 N#CNC(=N)NCCc1ccccc1 Amb24727104 [1,1,0,0,0,0|1,0,1]=4 394 B14R1.882 Cc1ccccc1CCNCCCN Amb31094287 [1,1,0,0,0,0|0,0,2]=4 395 B14R1.882 Cc1ccccc1OCCCCC#N Amb17210547 [1,1,0,0,0,0|2,0,0]=4 396 B14R1.882 NCCCNCCc1ccccc1Cl Amb31094294 [1,1,0,0,0,0|0,0,2]=4 397 B14R1.882 NCCCNCCc1ccccc1F Amb31094291 [1,1,0,0,0,0|0,0,2]=4 398 B14R1.33 C#CCCC(O)Cc1ccc(F)cc1 Amb33744129 [1,1,0,0,0,0|2,0,0]=4 399 B14R1.33 C=CCNC(C)Cc1ccc(N)cc1 Amb18550321 [1,1,0,0,0,0|0,0,2]=4 400 B14R1.33 CC#CNC(C)Cc1ccc(F)cc1 Amb27793485 [1,1,0,0,0,0|1,0,1]=4 401 B14R1.33 CC(CCC#N)Nc1ccc(Br)cc1 Amb35581785 [1,1,0,0,0,0|1,0,0]=3 402 B14R1.33 CC(CCC#N)Nc1ccc(Cl)cc1 Amb35581782 [1,1,0,0,0,0|1,0,0]=3 403 B14R1.33 CC(CCC#N)Nc1ccc(F)cc1 Amb35661396 [1,1,0,0,0,0|1,0,0]=3 404 B14R1.33 CC(CCC#N)Nc1ccc(I)cc1 Amb35581788 [1,1,0,0,0,0|1,0,0]=3 405 B14R1.33 CC(Cc1ccc(N)cc1)NCCO Amb18550311 [1,1,0,0,0,0|1,0,0]=3 406 B14R1.33 CCCNC(C)Cc1ccc(N)cc1 Amb18050881 [1,1,0,0,0,0|0,0,1]=3 407 B14R1.33 CN(CCC#N)Cc1ccc(Cl)cc1 Amb6670170 [1,1,0,0,0,0|1,0,0]=3 408 B14R1.33 CN(CCC#N)Cc1ccc(F)cc1 Amb6670233 [1,1,0,0,0,0|1,0,0]=3 409 B14R1.33 Cc1ccc(CN(C)CCC#N)cc1 Amb6670231 [1,1,0,0,0,0|1,0,0]=3 410 B14R1.33 N#CCNC(=O)Cc1ccc(Br)cc1 Amb6844264 [1,1,0,0,0,0|1,0,1]=4 411 B14R1.33 N#CCNC(=O)Cc1ccc(Cl)cc1 Amb3887145 [1,1,0,0,0,0|1,0,1]=4 412 B14R1.33 N#CCNC(=O)Cc1ccc(F)cc1 Amb3886911 [1,1,0,0,0,0|1,0,1]=4 413 B14R1.34 C#CCNC(C)Cc1cccc(F)c1 Amb33329896 [1,1,0,0,0,0|0,0,1]=3 414 B14R1.34 CC(CCC#N)Nc1cccc(Br)c1 Amb35581786 [1,1,0,0,0,0|1,0,0]=3 415 B14R1.34 CC(CCC#N)Nc1cccc(Cl)c1 Amb35581783 [1,1,0,0,0,0|1,0,0]=3 416 B14R1.34 CC(CCC#N)Nc1cccc(F)c1 Amb35661397 [1,1,0,0,0,0|1,0,0]=3 417 B14R1.34 CC(CCC#N)Nc1cncc(Br)c1 Amb27982520 [1,1,0,0,0,0|2,0,0]=4 418 B14R1.34 CC(CCC#N)Nc1cncc(Cl)c1 Amb35581589 [1,1,0,0,0,0|2,0,0]=4 419 B14R1.34 CCCNC(C)Cc1cccc(Br)c1 Amb18053864 [1,1,0,0,0,0|0,0,1]=3 420 B14R1.34 Cc1cccc(CC(=O)NCC#N)c1 Amb19071626 [1,1,0,0,0,0|1,0,1]=4 421 B14R1.34 Cc1cccc(CN(C)CCC#N)c1 Amb6670234 [1,1,0,0,0,0|1,0,0]=3 422 B14R1.34 Cc1cccc(NC(C)CCC#N)c1 Amb35595778 [1,1,0,0,0,0|1,0,0]=3 423 B14R1.34 N#CCNC(=O)Cc1cccc(F)c1 Amb19050445 [1,1,0,0,0,0|1,0,1]=4 424 B14R1.34 N#CCNC(=O)Cc1cccc(N)c1 Amb28048631 [1,1,0,0,0,0|1,0,1]=4 425 B14R1.34 N#CCNC(=O)Cc1cccc(O)c1 Amb19040842 [1,1,0,0,0,0|1,0,1]=4 426 B14R1.60 C#CCN(C)C(C)Cc1ccccc1 Amb22730039 [1,1,0,0,0,0|0,0,1]=3 427 B14R1.60 C#CCN(C)C(C)Cc1ccccc1 Amb7086092 [1,1,0,0,0,0|0,0,1]=3 428 B14R1.60 C#CCN(C)[C@@H](C)Cc1ccccc1 Amb22337571 [1,1,0,0,0,0|0,0,1]=3 429 B14R1.60 C#CCN(C)[C@H](C)Cc1ccccc1 Amb6296186 [1,1,0,0,0,0|0,0,1]=3 430 B14R1.60 CC(CC#N)N(C)Cc1ccccc1 Amb17336026 [1,1,0,0,0,0|1,0,0]=3 431 B14R1.60 CC(CC#N)N(C)Cc1ccccn1 Amb17336141 [1,1,0,0,0,0|2,0,0]=4 432 B14R1.60 CC(CC#N)N(C)Cc1cccnc1 Amb17336142 [1,1,0,0,0,0|2,0,0]=4 433 B14R1.60 CC(CC#N)N(C)Cc1ccncc1 Amb17336143 [1,1,0,0,0,0|2,0,0]=4 434 B14R1.60 CC(Cc1ccccc1)C(=O)NC#N Amb27234738 [1,1,0,0,0,0|1,0,1]=4 435 B14R1.60 CN(CC#N)C(=O)Cc1ccccc1 Amb17401182 [1,1,0,0,0,0|1,0,1]=4 436 B14R1.60 CN(Cc1ccccc1)C(=O)CC#N Amb6276878 [1,1,0,0,0,0|1,0,1]=4 437 B14R1.60 C\C(=C/c1ccccc1)C(O)CC#N Amb32954728 [1,1,0,0,0,0|0,0,2]=4 438 B14R1.166 C=CCNC(C)C(O)c1ccccc1 Amb18092962 [1,1,0,0,0,0|0,0,2]=4 439 B14R1.166 CC(c1ccccc1)N(C)CCC#N Amb17336029 [1,1,0,0,0,0|1,0,0]=3 440 B14R1.166 CCCNC(C)C(O)c1ccccc1 Amb18604509 [1,1,0,0,0,0|0,0,1]=3 441 B14R1.166 CN(CCC#N)C(=O)c1ccccc1 Amb6669851 [1,1,0,0,0,0|1,0,1]=4 442 B14R1.166 N#CCCC(F)C(=O)c1ccccc1 Amb24070265 [1,1,0,0,0,0|1,0,1]=4 443 B14R1.166 N#CCNC(=O)[C@@H](N)c1ccccc1 Amb27189635 [1,1,0,0,0,0|1,0,1]=4 444 B14R1.423 CC(CCC(=O)O)Cc1ccccc1 Amb5718197 [1,1,0,0,0,0|1,0,1]=4 445 B14R1.423 CC(Cc1ccccc1)NCC(=O)O Amb19042074 [1,1,0,0,0,0|1,0,1]=4 446 B14R1.423 CC(Cc1ccccc1)NCC(=O)O Amb4453185 [1,1,0,0,0,0|1,0,1]=4 447 B14R1.467 C#CCCN(CC)Cc1ccccc1 Amb27431547 [1,1,0,0,0,0|2,0,0]=4 448 B14R1.467 CCC(Cc1ccccc1)NCCO Amb33363069 [1,1,0,0,0,0|1,0,0]=3 449 B14R1.467 CCN(CCC#N)Cc1ccccc1 Amb7755737 [1,1,0,0,0,0|1,0,0]=3 450 B14R1.467 N#CCCN(C#N)Cc1ccccc1 Amb27443081 [1,1,0,0,0,0|1,0,1]=4 451 B14R1.743 C#CC(=O)NC(C)Cc1ccccc1 Amb35724226 [1,1,0,0,0,0|0,0,2]=4 452 B14R1.743 CC(C#N)CN(C)Cc1ccccc1 Amb9024171 [1,1,0,0,0,0|1,0,0]=3 453 B14R1.743 CC(C#N)CN(C)Cc1ccccn1 Amb9427829 [1,1,0,0,0,0|2,0,0]=4 454 B14R1.743 CC(C#N)CN(C)Cc1cccnc1 Amb9253019 [1,1,0,0,0,0|2,0,0]=4 455 B14R1.743 CC(C#N)CN(C)Cc1ccncc1 Amb9277692 [1,1,0,0,0,0|2,0,0]=4 456 B14R1.743 CC(C#N)NC(=O)Cc1ccccc1 Amb17401177 [1,1,0,0,0,0|1,0,1]=4 457 B14R1.743 CC(Cc1ccccc1)NC(=O)CBr Amb17333679 [1,1,0,0,0,0|1,0,1]=4 458 B14R1.743 CN(Cc1ccccc1)CC(Cl)C#N Amb27596426 [1,1,0,0,0,0|1,0,0]=3 459 B14R1.743 CN(Cc1ccccc1)CC(N)C#N Amb27669199 [1,1,0,0,0,0|1,0,0]=3 460 B14R1.946 CC(CCC#N)Nc1ccccc1Br Amb35581787 [1,1,0,0,0,0|1,0,0]=3 461 B14R1.946 CC(CCC#N)Nc1ccccc1Cl Amb35581784 [1,1,0,0,0,0|1,0,0]=3 462 B14R1.946 CC(CCC#N)Nc1ccccc1F Amb35661398 [1,1,0,0,0,0|1,0,0]=3 463 B14R1.946 CC(CCC#N)Nc1ccccc1I Amb35581789 [1,1,0,0,0,0|1,0,0]=3 464 B14R1.946 CN(CCC#N)Cc1ccccc1Cl Amb6670200 [1,1,0,0,0,0|1,0,0]=3 465 B14R1.946 CN(CCC#N)Cc1ccccc1F Amb6670192 [1,1,0,0,0,0|1,0,0]=3 466 B14R1.946 Cc1ccccc1CC(=O)NCC#N Amb19059789 [1,1,0,0,0,0|1,0,1]=4 467 B14R1.946 Cc1ccccc1CN(C)CCC#N Amb6670238 [1,1,0,0,0,0|1,0,0]=3 468 B14R1.946 Cc1ccccc1NC(C)CCC#N Amb35595779 [1,1,0,0,0,0|1,0,0]=3 469 B14R1.946 N#CCNC(=O)Cc1ccccc1Cl Amb27852962 [1,1,0,0,0,0|1,0,1]=4 470 B14R1.4528 N#CCCS(=O)(=O)Cc1ccccc1 Amb17502475 [1,1,0,0,0,0|2,0,0]=4 471 B14R1.19 CC#CCNC(C)c1ccc(C)cc1 Amb19071022 [0,1,0,0,1,0|1,0,1]=4 472 B14R1.19 CC(NCCCO)c1ccc(Br)cc1 Amb6733615 [0,1,0,0,1,0|1,0,1]=4 473 B14R1.19 CC(NCCCO)c1ccc(Cl)cc1 Amb6733622 [0,1,0,0,1,0|1,0,1]=4 474 B14R1.19 CC(NCCCO)c1ccc(I)cc1 Amb9636774 [0,1,0,0,1,0|1,0,1]=4 475 B14R1.19 CCCCNC(C)c1ccc(Br)cc1 Amb6691002 [0,1,0,0,1,0|1,0,1]=4 476 B14R1.19 CCCCNC(C)c1ccc(Cl)cc1 Amb6691008 [0,1,0,0,1,0|1,0,1]=4 477 B14R1.19 CCCCNC(C)c1ccc(F)cc1 Amb6691026 [0,1,0,0,1,0|1,0,1]=4 478 B14R1.19 COCCNC(C)c1ccc(Br)cc1 Amb6685615 [0,1,0,0,1,0|2,0,0]=4 479 B14R1.19 COCCNC(C)c1ccc(C)cc1 Amb6685618 [0,1,0,0,1,0|2,0,0]=4 480 B14R1.19 COCCNC(C)c1ccc(Cl)cc1 Amb6685623 [0,1,0,0,1,0|2,0,0]=4 481 B14R1.19 COCCNC(C)c1ccc(I)cc1 Amb9622368 [0,1,0,0,1,0|2,0,0]=4 482 B14R1.19 Cc1ccc(C(=O)NCCC#N)cc1 Amb10810127 [0,1,0,0,1,0|1,0,1]=4 483 B14R1.19 Cc1ccc(C(C)NCCCO)cc1 Amb6733617 [0,1,0,0,1,0|1,0,1]=4 484 B14R1.19 N#CCCNC(=O)c1ccc(Br)cc1 Amb4015882 [0,1,0,0,1,0|1,0,1]=4 485 B14R1.19 N#CCCNC(=O)c1ccc(Cl)cc1 Amb17403778 [0,1,0,0,1,0|1,0,1]=4 486 B14R1.19 N#CCCNC(=O)c1ccc(F)cc1 Amb17401612 [0,1,0,0,1,0|1,0,1]=4 487 B14R1.19 N#CCCNC(=O)c1ccc(O)cc1 Amb19072882 [0,1,0,0,1,0|1,0,1]=4 488 B14R1.20 CC#CCNC(C)c1cccc(O)c1 Amb28382417 [0,1,0,0,1,0|1,0,1]=4 489 B14R1.20 CC#CCN[C@H](C)c1cccc(Br)c1 Amb27243481 [0,1,0,0,1,0|1,0,1]=4 490 B14R1.20 CC#CCN[C@H](C)c1cccc(O)c1 Amb27163782 [0,1,0,0,1,0|1,0,1]=4 491 B14R1.20 CC(NCCCO)c1cccc(Br)c1 Amb6733616 [0,1,0,0,1,0|1,0,1]=4 492 B14R1.20 CC(NCCCO)c1cccc(Cl)c1 Amb6733720 [0,1,0,0,1,0|1,0,1]=4 493 B14R1.20 CC(NCCCO)c1cccc(F)c1 Amb6733728 [0,1,0,0,1,0|1,0,1]=4 494 B14R1.20 CCCCNC(C)c1cccc(Br)c1 Amb6691003 [0,1,0,0,1,0|1,0,1]=4 495 B14R1.20 CCCCNC(C)c1cccc(Cl)c1 Amb6691091 [0,1,0,0,1,0|1,0,1]=4 496 B14R1.20 COCCNC(C)c1cccc(Br)c1 Amb6685617 [0,1,0,0,1,0|2,0,0]=4 497 B14R1.20 COCCNC(C)c1cccc(F)c1 Amb6685729 [0,1,0,0,1,0|2,0,0]=4 498 B14R1.20 Cc1cccc(C(=O)NCCC#N)c1 Amb3701605 [0,1,0,0,1,0|1,0,1]=4 499 B14R1.20 N#CCCNC(=O)c1cccc(Br)c1 Amb17413930 [0,1,0,0,1,0|1,0,1]=4 500 B14R1.20 N#CCCNC(=O)c1cccc(Cl)c1 Amb17403777 [0,1,0,0,1,0|1,0,1]=4 501 B14R1.20 N#CCCNC(=O)c1cccc(F)c1 Amb17401611 [0,1,0,0,1,0|1,0,1]=4 502 B14R1.29 C#CCC(=O)NC(C)c1ccccc1 Amb35727901 [0,1,0,0,1,0|1,0,1]=4 503 B14R1.29 C#CCC(=O)N[C@@H](C)c1ccccc1 Amb35692320 [0,1,0,0,1,0|1,0,1]=4 504 B14R1.29 C#CCC(=O)N[C@H](C)c1ccccc1 Amb35692312 [0,1,0,0,1,0|1,0,1]=4 505 B14R1.29 CC(NC(=O)CC#N)c1ccccc1 Amb6384682 [0,1,0,0,1,0|0,0,1]=3 506 B14R1.29 COCC(C)NC(C)c1ccccc1 Amb6689581 [0,1,0,0,1,0|2,0,0]=4 507 B14R1.29 C[C@H](NC(=O)CC#N)c1ccccc1 Amb27387602 [0,1,0,0,1,0|0,0,1]=3 508 B14R1.29 C\C(=C/C#N)NC(C)c1ccccc1 Amb28121212 [0,1,0,0,1,0|0,0,2]=4 509 B14R1.46 N#CCCNS(=O)(=O)c1ccccc1 Amb17403986 [0,1,0,0,1,0|2,0,0]=4 510 B14R1.121 CCC(NCCCO)c1ccccc1 Amb6733618 [0,1,0,0,1,0|1,0,1]=4 511 B14R1.121 CCC(NCCOC)c1ccccc1 Amb6685619 [0,1,0,0,1,0|2,0,0]=4 512 B14R1.121 CCCCNC(CC)c1ccccc1 Amb9736122 [0,1,0,0,1,0|1,0,1]=4 513 B14R1.121 CCCCNC(CO)c1ccccc1 Amb33496251 [0,1,0,0,1,0|1,0,1]=4 514 B14R1.163 CC(C#N)CNC(=O)c1ccccc1 Amb18327633 [0,1,0,0,1,0|1,0,1]=4 515 B14R1.163 CCC(C)CNC(C)c1ccccc1 Amb6719459 [0,1,0,0,1,0|1,0,1]=4 516 B14R1.163 CCC(N)CNC(C)c1ccccc1 Amb33230038 [0,1,0,0,1,0|1,0,1]=4 517 B14R1.163 N#CC(O)CNC(=O)c1ccccc1 Amb28408747 [0,1,0,0,1,0|1,0,1]=4 518 B14R1.420 CC(=O)CCNC(C)c1ccccc1 Amb32675821 [0,1,0,0,1,0|1,0,1]=4 519 B14R1.420 CC(C)CCNC(C)c1ccccc1 Amb6684810 [0,1,0,0,1,0|1,0,1]=4 520 B14R1.420 CC(NCCC(=O)O)c1ccccc1 Amb2372473 [0,1,0,0,1,0|1,0,1]=4 521 B14R1.420 CC(NCCC(N)=O)c1ccccc1 Amb8841102 [0,1,0,0,1,0|0,0,2]=4 522 B14R1.420 CC(O)CCNC(C)c1ccccc1 Amb33455957 [0,1,0,0,1,0|1,0,1]=4 523 B14R1.1035 CC#CCN[C@@H](C)c1ccccc1Br Amb27417789 [0,1,0,0,1,0|1,0,1]=4 524 B14R1.1035 CC(NCCCO)c1ccccc1Br Amb6733641 [0,1,0,0,1,0|1,0,1]=4 525 B14R1.1035 CC(NCCCO)c1ccccc1Cl Amb6733623 [0,1,0,0,1,0|1,0,1]=4 526 B14R1.1035 CC(NCCCO)c1ccccc1F Amb6733637 [0,1,0,0,1,0|1,0,1]=4 527 B14R1.1035 CCCCNC(C)c1ccccc1Br Amb6691028 [0,1,0,0,1,0|1,0,1]=4 528 B14R1.1035 CCCCNC(C)c1ccccc1C Amb6691057 [0,1,0,0,1,0|1,0,1]=4 529 B14R1.1035 COCCNC(C)c1ccccc1Br Amb6685646 [0,1,0,0,1,0|2,0,0]=4 530 B14R1.1035 COCCNC(C)c1ccccc1C Amb6685685 [0,1,0,0,1,0|2,0,0]=4 531 B14R1.1035 Cc1ccccc1C(=O)NCCC#N Amb4021993 [0,1,0,0,1,0|1,0,1]=4 532 B14R1.1035 Cc1ccccc1C(C)NCCCO Amb6733681 [0,1,0,0,1,0|1,0,1]=4 533 B14R1.1035 N#CCCNC(=O)c1ccccc1Br Amb17413929 [0,1,0,0,1,0|1,0,1]=4 534 B14R1.1035 N#CCCNC(=O)c1ccccc1Cl Amb17403776 [0,1,0,0,1,0|1,0,1]=4 535 B14R1.1035 N#CCCNC(=O)c1ccccc1F Amb17401610 [0,1,0,0,1,0|1,0,1]=4 536 B16R1.688 COCCNCC(C)OCc1ccccc1 Amb27611488 [0,1,0,0,0,1|2,0,0]=4 537 B16R1.1216 CC(CCNC#N)N(C)Cc1ccccc1 Amb27426283 [0,1,0,0,0,1|2,0,0]=4 538 B16R1.1516 CN(CCC#N)C(=N)NCc1ccccc1 Amb27395402 [0,1,0,0,0,1|1,0,1]=4 539 B16R1.1516 CN(CCC#N)C(=O)NCc1ccccc1 Amb11952903 [0,1,0,0,0,1|1,0,1]=4 540 B16R1.1570 CC(CC#N)NC(=O)OCc1ccccc1 Amb28118473 [0,1,0,0,0,1|1,0,1]=4 541 B16R1.54 CCCCCNC(C)Cc1ccc(N)cc1 Amb18550314 [0,2,0,0,0,0|1,0,1]=4 542 B16R1.54 COCCCNC(C)Cc1ccc(N)cc1 Amb18050877 [0,2,0,0,0,0|1,0,1]=4 543 B16R1.693 C#CCCNCCN(C)Cc1ccccc1 Amb27244011 [0,2,0,0,0,0|2,0,0]=4 544 B16R1.705 CCCCCNC(C)C(O)c1ccccc1 Amb18604517 [0,2,0,0,0,0|1,0,1]=4 545 B16R1.705 COCCCNC(C)C(O)c1ccccc1 Amb18092958 [0,2,0,0,0,0|1,0,1]=4 546 B16R1.1329 COC(=O)CCNC(C)Cc1ccccc1 Amb613968 [0,2,0,0,0,0|1,0,1]=4 547 B16R1.1407 CCN(CCCCC#N)Cc1ccccc1 Amb27175433 [0,2,0,0,0,0|2,0,0]=4 548 B16R1.1497 CC(Cc1ccccc1)NC(=O)CCCCl Amb17332905 [0,2,0,0,0,0|1,0,1]=4 549 B16R1.61 CC(NCCCO)C(O)c1ccc(Cl)cc1 Amb18093538 [0,2,0,0,0,0|1,0,1]=4 550 B16R1.61 CC(NCCCO)C(O)c1ccc(F)cc1 Amb18093625 [0,2,0,0,0,0|1,0,1]=4 551 B16R1.61 CCCCNC(C)C(O)c1ccc(C)cc1 Amb18604620 [0,2,0,0,0,0|1,0,1]=4 552 B16R1.61 CCCCNC(C)C(O)c1ccc(Cl)cc1 Amb18093544 [0,2,0,0,0,0|1,0,1]=4 553 B16R1.61 CCCCNC(C)C(O)c1ccc(F)cc1 Amb18093631 [0,2,0,0,0,0|1,0,1]=4 554 B16R1.61 COCCNC(C)C(O)c1ccc(C)cc1 Amb18093160 [0,2,0,0,0,0|2,0,0]=4 555 B16R1.61 COCCNC(C)C(O)c1ccc(Cl)cc1 Amb18605024 [0,2,0,0,0,0|2,0,0]=4 556 B16R1.61 COCCNC(C)C(O)c1ccc(F)cc1 Amb18093640 [0,2,0,0,0,0|2,0,0]=4 557 B16R1.61 Cc1ccc(C(O)C(C)NCCCO)cc1 Amb18604618 [0,2,0,0,0,0|1,0,1]=4 558 B16R1.613 CC(C)CCNC(C)C(O)c1ccccc1 Amb18604543 [0,2,0,0,0,0|1,0,1]=4 559 B16R1.613 CC(NCCC(=O)O)C(O)c1ccccc1 Amb539293 [0,2,0,0,0,0|1,0,1]=4 560 B16R1.613 CC(NCCN(C)C)C(O)c1ccccc1 Amb18092990 [0,2,0,0,0,0|2,0,0]=4 561 B16R1.1244 CC(C(O)c1ccccc1)N(C)CCC#N Amb24122677 [0,2,0,0,0,0|0,0,0]=2 562 B16R1.1244 CCCCN(C)C(C)C(O)c1ccccc1 Amb2703244 [0,2,0,0,0,0|1,0,1]=4 563 B16R1.1420 CCC(NCCCO)C(O)c1ccccc1 Amb18604556 [0,2,0,0,0,0|1,0,1]=4 564 B16R1.1420 CCC(NCCOC)C(O)c1ccccc1 Amb18093014 [0,2,0,0,0,0|2,0,0]=4 565 B16R1.1420 CCCCNC(CC)C(O)c1ccccc1 Amb18604559 [0,2,0,0,0,0|1,0,1]=4 566 B16R1.658 CCCCN(C)C(C)Cc1ccc(N)cc1 Amb18050254 [0,2,0,0,0,0|1,0,1]=4 567 B16R1.658 CN(CCC#N)C(=O)Cc1ccc(Cl)cc1 Amb6669954 [0,2,0,0,0,0|1,0,1]=4 568 B16R1.658 CN(CCC#N)C(=O)Cc1ccc(F)cc1 Amb2326502 [0,2,0,0,0,0|1,0,1]=4 569 B16R1.658 CN(Cc1ccc(Cl)cc1)C(=O)CCC#N Amb17409446 [0,2,0,0,0,0|2,0,0]=4 570 B16R1.658 CN(Cc1ccc(F)cc1)C(=O)CCC#N Amb17405484 [0,2,0,0,0,0|2,0,0]=4 571 B16R1.658 Cc1ccc(CN(C)C(=O)CCC#N)cc1 Amb17404580 [0,2,0,0,0,0|2,0,0]=4 572 B16R1.1067 CC(C)CCNC(C)Cc1ccc(N)cc1 Amb18050933 [0,2,0,0,0,0|1,0,1]=4 573 B16R1.1067 CC(Cc1ccc(N)cc1)NCCC(=O)O Amb18050916 [0,2,0,0,0,0|1,0,1]=4 574 B16R1.1067 CC(Cc1ccc(N)cc1)NCCN(C)C Amb18050923 [0,2,0,0,0,0|2,0,0]=4 575 B16R1.7382 CCCCNC(C)Cc1ccc(CC)cc1 Amb18053928 [0,2,0,0,0,0|1,0,1]=4 576 B16R1.7382 CCc1ccc(CC(C)NCCOC)cc1 Amb18053980 [0,2,0,0,0,0|2,0,0]=4 577 B16R1.7393 CCCCNC(C)Cc1ccc(C)c(C)c1 Amb18053927 [0,2,0,0,0,0|1,0,1]=4 578 B16R1.7393 CCCCNC(C)Cc1ccc(Cl)c(C)c1 Amb18053934 [0,2,0,0,0,0|1,0,1]=4 579 B16R1.7393 CCCCNC(C)Cc1ccc(Cl)c(Cl)c1 Amb18053938 [0,2,0,0,0,0|1,0,1]=4 580 B16R1.7393 CCCCNC(C)Cc1ccc(F)c(C)c1 Amb18553037 [0,2,0,0,0,0|1,0,1]=4 581 B16R1.7393 CCCCNC(C)Cc1ccc(F)c(F)c1 Amb18553046 [0,2,0,0,0,0|1,0,1]=4 582 B16R1.7393 COCCNC(C)Cc1ccc(C)c(C)c1 Amb18553083 [0,2,0,0,0,0|2,0,0]=4 583 B16R1.7393 COCCNC(C)Cc1ccc(Cl)c(C)c1 Amb18054005 [0,2,0,0,0,0|2,0,0]=4 584 B16R1.7393 COCCNC(C)Cc1ccc(Cl)c(Cl)c1 Amb18054007 [0,2,0,0,0,0|2,0,0]=4 585 B16R1.7393 COCCNC(C)Cc1ccc(F)c(C)c1 Amb18553106 [0,2,0,0,0,0|2,0,0]=4 586 B16R1.7393 COCCNC(C)Cc1ccc(F)c(F)c1 Amb18553115 [0,2,0,0,0,0|2,0,0]=4 587 B16R1.22955 CCCCNC(C)Cc1ccc(C)cc1C Amb18053932 [0,2,0,0,0,0|1,0,1]=4 588 B16R1.22955 CCCCNC(C)Cc1ccc(Cl)cc1Cl Amb18053929 [0,2,0,0,0,0|1,0,1]=4 589 B16R1.22955 COCCNC(C)Cc1ccc(C)cc1C Amb18054003 [0,2,0,0,0,0|2,0,0]=4 590 B16R1.22955 COCCNC(C)Cc1ccc(Cl)cc1Cl Amb18553088 [0,2,0,0,0,0|2,0,0]=4 591 B16R1.659 CN(Cc1cccc(Cl)c1)C(=O)CCC#N Amb17409443 [0,2,0,0,0,0|2,0,0]=4 592 B16R1.659 Cc1cccc(CN(C)C(=O)CCC#N)c1 Amb17404577 [0,2,0,0,0,0|2,0,0]=4 593 B16R1.7379 CCCCNC(C)Cc1cc(F)ccc1F Amb18553045 [0,2,0,0,0,0|1,0,1]=4 594 B16R1.7379 COCCNC(C)Cc1cc(F)ccc1F Amb18054032 [0,2,0,0,0,0|2,0,0]=4 595 B16R1.7389 CCCCNC(C)Cc1cccc(OC)c1 Amb18553026 [0,2,0,0,0,0|1,0,1]=4 596 B16R1.7389 COCCNC(C)Cc1cccc(OC)c1 Amb18553094 [0,2,0,0,0,0|2,0,0]=4 597 B16R1.945 CC(CC#N)C(=O)N(C)Cc1ccccc1 Amb17340606 [0,2,0,0,0,0|2,0,0]=4 598 B16R1.1127 CC(C#N)CC(=O)N(C)Cc1ccccc1 Amb17340619 [0,2,0,0,0,0|2,0,0]=4 599 B16R1.7523 CN(Cc1ccccc1Cl)C(=O)CCC#N Amb17409440 [0,2,0,0,0,0|2,0,0]=4 600 B16R1.7523 CN(Cc1ccccc1F)C(=O)CCC#N Amb17405481 [0,2,0,0,0,0|2,0,0]=4 601 B16R1.7523 Cc1ccccc1CN(C)C(=O)CCC#N Amb17404574 [0,2,0,0,0,0|2,0,0]=4 602 B16R1.560 CNC(C#N)CCN(C)Cc1ccccc1 Amb27483406 [0,2,0,0,0,0|2,0,0]=4 603 B16R1.1759 N#CCCNC(Cc1ccccc1)C(=O)O Amb1212343 [0,2,0,0,0,0|0,0,1]=3 604 B14R2.3 BrC#CCN1CCc2ccccc21 Amb27813754 [1,0,0,1,0,0|1,0,1]=4 605 B14R2.3 BrCCCN1CCc2ccccc21 Amb27414544 [1,0,0,1,0,0|1,0,1]=4 606 B14R2.3 C#CCCC1CCc2ccccc21 Amb33144630 [1,0,0,1,0,0|2,0,0]=4 607 B14R2.3 C#CCCN1CCc2ccccc21 Amb27775595 [1,0,0,1,0,0|1,0,0]=3 608 B14R2.3 CC#CCN1CCc2ccccc21 Amb27589492 [1,0,0,1,0,0|1,0,1]=4 609 B14R2.3 CCCCN1CCc2ccccc21 Amb6360682 [1,0,0,1,0,0|1,0,1]=4 610 B14R2.3 CNCCN1CCc2ccccc21 Amb6715519 [1,0,0,1,0,0|2,0,0]=4 611 B14R2.3 ClCCCN1CCc2ccccc21 Amb17337049 [1,0,0,1,0,0|1,0,1]=4 612 B14R2.3 FCCCN1CCc2ccccc21 Amb27455976 [1,0,0,1,0,0|1,0,1]=4 613 B14R2.3 N#CCCC1CCc2ccccc21 Amb33146103 [1,0,0,1,0,0|1,0,0]=3 614 B14R2.3 N#CCCN1CCc2ccccc21 Amb6666555 [1,0,0,1,0,0|0,0,0]=2 615 B14R2.3 N#CCCn1cnc2ccccc21 Amb1059578 [1,0,0,1,0,0|1,0,1]=4 616 B14R2.3 N#CCCn1ncc2ccccc21 Amb2611294 [1,0,0,1,0,0|1,0,1]=4 617 B14R2.3 N#CCCn1nnc2ccccc21 Amb2228188 [1,0,0,1,0,0|2,0,0]=4 618 B14R2.3 NCCCN1CCc2ccccc21 Amb1108321 [1,0,0,1,0,0|0,0,2]=4 619 B14R2.3 NOCCN1CCc2ccccc21 Amb17104862 [1,0,0,1,0,0|1,0,1]=4 620 B14R2.3 OCCCN1CCc2ccccc21 Amb9246658 [1,0,0,1,0,0|1,0,1]=4 621 B14R2.3 [C-]#[N+]CCN1CCc2ccccc21 Amb19928690 [1,0,0,1,0,0|2,0,0]=4 622 B14R2.6 C1=CC(Cc2ccccc2)NCC1 Amb18127112 [1,0,0,1,0,0|1,0,1]=4 623 B14R2.6 c1ccc(CC2CCCCN2)cc1 Amb17659191 [1,0,0,1,0,0|1,0,1]=4 624 B14R2.6 c1ccc(CC2CCCCN2)cc1 Amb9768306 [1,0,0,1,0,0|1,0,1]=4 625 B14R2.6 c1ccc(CC2CNCCN2)cc1 Amb10068437 [1,0,0,1,0,0|2,0,0]=4 626 B14R2.6 c1ccc(CC2CNCCN2)cc1 Amb20240950 [1,0,0,1,0,0|2,0,0]=4 627 B14R2.6 c1ccc(CC2COCCN2)cc1 Amb10068897 [1,0,0,1,0,0|2,0,0]=4 628 B14R2.6 c1ccc(CC2COCCN2)cc1 Amb8009649 [1,0,0,1,0,0|2,0,0]=4 629 B14R2.6 c1ccc(CC2CSCCN2)cc1 Amb18565445 [1,0,0,1,0,0|2,0,0]=4 630 B14R2.6 c1ccc(CC2NCCCO2)cc1 Amb17506195 [1,0,0,1,0,0|1,0,1]=4 631 B14R2.6 c1ccc(CC2NCCCS2)cc1 Amb27177019 [1,0,0,1,0,0|1,0,1]=4 632 B14R2.6 c1ccc(C[C@@H]2CCCCN2)cc1 Amb22892828 [1,0,0,1,0,0|1,0,1]=4 633 B14R2.6 c1ccc(C[C@@H]2CNCCN2)cc1 Amb19515800 [1,0,0,1,0,0|2,0,0]=4 634 B14R2.6 c1ccc(C[C@@H]2CNCCN2)cc1 Amb22752073 [1,0,0,1,0,0|2,0,0]=4 635 B14R2.6 c1ccc(C[C@@H]2COCCN2)cc1 Amb20242985 [1,0,0,1,0,0|2,0,0]=4 636 B14R2.6 c1ccc(C[C@H]2CCCCN2)cc1 Amb27607714 [1,0,0,1,0,0|1,0,1]=4 637 B14R2.6 c1ccc(C[C@H]2CNCCN2)cc1 Amb15690734 [1,0,0,1,0,0|2,0,0]=4 638 B14R2.6 c1ccc(C[C@H]2CNCCN2)cc1 Amb34910880 [1,0,0,1,0,0|2,0,0]=4 639 B14R2.6 c1ccc(C[C@H]2COCCN2)cc1 Amb20242986 [1,0,0,1,0,0|2,0,0]=4 640 B14R2.6 c1ccc(C[C@H]2COCCN2)cc1 Amb22226651 [1,0,0,1,0,0|2,0,0]=4 641 B14R2.14 CCC1CNCC1c2ccccc2 Amb24563782 [1,0,0,1,0,0|1,0,1]=4 642 B14R2.14 CO[C@@H]1CNC[C@H]1c2ccccc2 Amb27419896 [1,0,0,1,0,0|2,0,0]=4 643 B14R2.14 N#CC1CNCC1c2ccccc2 Amb23597889 [1,0,0,1,0,0|0,0,0]=2 644 B14R2.14 N#CC1CNCC1c2ccccc2 Amb32661064 [1,0,0,1,0,0|0,0,0]=2 645 B14R2.14 N#C[C@@H]1CNC[C@H]1c2ccccc2 Amb25175728 [1,0,0,1,0,0|0,0,0]=2 646 B14R2.14 N#C[C@@H]1CNC[C@H]1c2ccccc2 Amb26838387 [1,0,0,1,0,0|0,0,0]=2 647 B14R2.14 OCC1CNCC1c2ccccc2 Amb9781840 [1,0,0,1,0,0|1,0,1]=4 648 B14R2.14 OC[C@@H]1CNC[C@H]1c2ccccc2 Amb22756588 [1,0,0,1,0,0|1,0,1]=4 649 B14R2.14 OC[C@@H]1CNC[C@H]1c2ccccc2 Amb35789802 [1,0,0,1,0,0|1,0,1]=4 650 B14R2.14 OC[C@H]1CNC[C@@H]1c2ccccc2 Amb26588980 [1,0,0,1,0,0|1,0,1]=4 651 B14R2.14 OC[C@H]1CNC[C@H]1c2ccccc2 Amb27964542 [1,0,0,1,0,0|1,0,1]=4 652 B14R2.24 CC1CCNCC1c2ccccc2 Amb26855487 [1,0,0,1,0,0|1,0,1]=4 653 B14R2.24 CC1CCNCC1c2ccccc2 Amb30051609 [1,0,0,1,0,0|1,0,1]=4 654 B14R2.24 CN1CCNCC1c2ccccc2 Amb21954179 [1,0,0,1,0,0|2,0,0]=4 655 B14R2.24 CN1CCNCC1c2ccccc2 Amb22586681 [1,0,0,1,0,0|2,0,0]=4 656 B14R2.24 CN1CCNCC1c2ccccc2 Amb3941171 [1,0,0,1,0,0|2,0,0]=4 657 B14R2.24 C[C@@H]1CCNC[C@@H]1c2ccccc2 Amb32682441 [1,0,0,1,0,0|1,0,1]=4 658 B14R2.24 C[C@@H]1CCNC[C@@H]1c2ccccc2 Amb32682462 [1,0,0,1,0,0|1,0,1]=4 659 B14R2.24 NC1CCNCC1c2ccccc2 Amb24398671 [1,0,0,1,0,0|0,0,2]=4 660 B14R2.24 O=C1CCNCC1c2ccccc2 Amb18197173 [1,0,0,1,0,0|1,0,1]=4 661 B14R2.24 O=S1CCNCC1c2ccccc2 Amb18864028 [1,0,0,1,0,0|2,0,0]=4 662 B14R2.24 O=S1CCNC[C@H]1c2ccccc2 Amb27643356 [1,0,0,1,0,0|2,0,0]=4 663 B14R2.24 OC1CCNCC1c2ccccc2 Amb26376883 [1,0,0,1,0,0|1,0,1]=4 664 B14R2.30 CC1CCN[C@H]1Cc2ccccc2 Amb27947239 [1,0,0,1,0,0|1,0,1]=4 665 B14R2.30 C[C@@H]1CCN[C@H]1Cc2ccccc2 Amb18197090 [1,0,0,1,0,0|1,0,1]=4 666 B14R2.30 C[C@H]1CCN[C@@H]1Cc2ccccc2 Amb27624379 [1,0,0,1,0,0|1,0,1]=4 667 B14R2.30 FC1CCNC1Cc2ccccc2 Amb27224993 [1,0,0,1,0,0|1,0,1]=4 668 B14R2.30 NC1CCN[C@@H]1Cc2ccccc2 Amb18196512 [1,0,0,1,0,0|0,0,2]=4 669 B14R2.30 O=C1CCNC1Cc2ccccc2 Amb27863834 [1,0,0,1,0,0|1,0,1]=4 670 B14R2.30 O=C1CCN[C@@H]1Cc2ccccc2 Amb18197192 [1,0,0,1,0,0|1,0,1]=4 671 B14R2.30 OC1CCNC1Cc2ccccc2 Amb32410236 [1,0,0,1,0,0|1,0,1]=4 672 B14R2.30 OC1CCN[C@@H]1Cc2ccccc2 Amb18195900 [1,0,0,1,0,0|1,0,1]=4 673 B14R2.30 OC1CCN[C@H]1Cc2ccccc2 Amb24489269 [1,0,0,1,0,0|1,0,1]=4 674 B14R2.30 O[C@H]1CCN[C@H]1Cc2ccccc2 Amb27966070 [1,0,0,1,0,0|1,0,1]=4 675 B14R2.66 N#CCCC1CC1c2ccccc2 Amb32669162 [1,0,0,1,0,0|1,0,0]=3 676 B14R2.87 N#CC1CC1CSc2ccccc2 Amb27609305 [1,0,0,1,0,0|2,0,0]=4 677 B14R2.101 c1ccc(CCN2CCCN2)cc1 Amb27779956 [1,0,0,1,0,0|0,0,2]=4 678 B14R2.1253 c1ccc(C2CCCCNC2)cc1 Amb21937009 [1,0,0,1,0,0|1,0,1]=4 679 B14R2.1253 c1ccc(C2CNCCCN2)cc1 Amb2696383 [1,0,0,1,0,0|0,0,2]=4 680 B14R2.1253 c1ccc(C2CNCCCO2)cc1 Amb20668525 [1,0,0,1,0,0|1,0,1]=4 681 B14R2.1253 c1ccc(C2CNCCCO2)cc1 Amb9358450 [1,0,0,1,0,0|1,0,1]=4 682 B14R2.1253 c1ccc(C2CNCCOC2)cc1 Amb18065703 [1,0,0,1,0,0|2,0,0]=4 683 B14R2.2014 COC1CNCCc2ccccc21 Amb35789430 [1,0,0,1,0,0|2,0,0]=4 684 B14R2.2014 COC1CNCCc2ccccc21 Amb35789723 [1,0,0,1,0,0|2,0,0]=4 685 B14R2.3018 c1ccc(CCNCC2CC2)cc1 Amb6686732 [1,0,0,1,0,0|1,0,1]=4 686 B14R2.3019 c1ccc(CCNC2CCC2)cc1 Amb18308956 [1,0,0,1,0,0|1,0,1]=4 687 B14R2.7150 C#CCC1CCCc2ccccc21 Amb33379630 [1,0,0,1,0,0|2,0,0]=4 688 B14R2.7150 CC#CC1NCCc2ccccc21 Amb28341684 [1,0,0,1,0,0|1,0,1]=4 689 B14R2.7150 CCCC1NCCc2ccccc21 Amb18961209 [1,0,0,1,0,0|1,0,1]=4 690 B14R2.7150 CCCC1NCCc2ccccc21 Amb33330006 [1,0,0,1,0,0|1,0,1]=4 691 B14R2.7150 CNCC1NCCc2ccccc21 Amb18956501 [1,0,0,1,0,0|2,0,0]=4 692 B14R2.7150 COCC1NCCc2ccccc21 Amb29848144 [1,0,0,1,0,0|2,0,0]=4 693 B14R2.7150 N#CCC1=NCCc2ccccc21 Amb2792485 [1,0,0,1,0,0|0,0,2]=4 694 B14R2.7150 N#CCC1CCCc2ccccc21 Amb18559308 [1,0,0,1,0,0|1,0,0]=3 695 B14R2.7150 N#CCC1CCNc2ccccc21 Amb24592092 [1,0,0,1,0,0|2,0,0]=4 696 B14R2.7150 N#CCC1CCOc2ccccc21 Amb23590924 [1,0,0,1,0,0|2,0,0]=4 697 B14R2.7150 N#CCC1NCCc2ccccc21 Amb1993743 [1,0,0,1,0,0|0,0,0]=2 698 B14R2.7150 N#CCC1NCCc2ccccc21 Amb1993774 [1,0,0,1,0,0|0,0,0]=2 699 B14R2.7150 N#CCC1OCCc2ccccc21 Amb24469848 [1,0,0,1,0,0|1,0,0]=3 700 B14R2.7150 N#CCN1CCCc2ccccc21 Amb3430757 [1,0,0,1,0,0|2,0,0]=4 701 B14R2.7150 N#C\C=C1/NCCc2ccccc21 Amb18126701 [1,0,0,1,0,0|0,0,2]=4 702 B14R2.7150 OCCC1NCCc2ccccc21 Amb17193933 [1,0,0,1,0,0|1,0,1]=4 703 B14R2.19 BrC1CCC(Cc2ccccc2)C1 Amb25345569 [1,0,0,1,0,0|1,0,1]=4 704 B14R2.19 CC1CNC(Cc2ccccc2)S1 Amb28343147 [1,0,0,1,0,0|1,0,1]=4 705 B14R2.19 C[C@@H]1CN[C@H](Cc2ccccc2)C1 Amb27427697 [1,0,0,1,0,0|0,0,1]=3 706 B14R2.19 C[C@H]1CN[C@@H](Cc2ccccc2)C1 Amb18197087 [1,0,0,1,0,0|0,0,1]=3 707 B14R2.19 ClC1CCC(Cc2ccccc2)C1 Amb27443400 [1,0,0,1,0,0|1,0,1]=4 708 B14R2.19 NC1CCC(Cc2ccccc2)C1 Amb25337996 [1,0,0,1,0,0|0,0,2]=4 709 B14R2.19 NC1COC(Cc2ccccc2)C1 Amb35593782 [1,0,0,1,0,0|1,0,1]=4 710 B14R2.19 O=C1CCC(Cc2ccccc2)C1 Amb24455173 [1,0,0,1,0,0|1,0,1]=4 711 B14R2.19 OC1CCC(Cc2ccccc2)C1 Amb27664443 [1,0,0,1,0,0|1,0,1]=4 712 B14R2.19 OC1CNC(Cc2ccccc2)C1 Amb23454017 [1,0,0,1,0,0|1,0,0]=3 713 B14R2.67 BrCCCC1Cc2ccccc2C1 Amb33432099 [1,0,0,1,0,0|1,0,1]=4 714 B14R2.67 C#CCCC1Cc2ccccc2C1 Amb33342536 [1,0,0,1,0,0|1,0,0]=3 715 B14R2.67 C#CCCC1Cc2ccccc2N1 Amb27398906 [1,0,0,1,0,0|2,0,0]=4 716 B14R2.67 C=CCNC1Cc2ccccc2C1 Amb9373544 [1,0,0,1,0,0|0,0,2]=4 717 B14R2.67 CCCNC1Cc2ccccc2C1 Amb2182882 [1,0,0,1,0,0|0,0,1]=3 718 B14R2.67 CCCNC1Cc2ccccc2C1 Amb844698 [1,0,0,1,0,0|0,0,1]=3 719 B14R2.67 CCCSC1Cc2ccccc2C1 Amb28051413 [1,0,0,1,0,0|1,0,1]=4 720 B14R2.67 CCONC1Cc2ccccc2C1 Amb28399119 [1,0,0,1,0,0|1,0,1]=4 721 B14R2.67 CNCCC1Cc2ccccc2C1 Amb25097431 [1,0,0,1,0,0|2,0,0]=4 722 B14R2.67 N#CCCC1Cc2ccccc2C1 Amb33143759 [1,0,0,1,0,0|0,0,0]=2 723 B14R2.67 N#CCCN1Cc2ccccc2C1 Amb17480623 [1,0,0,1,0,0|1,0,0]=3 724 B14R2.67 NCCCC1Cc2ccccc2C1 Amb27606361 [1,0,0,1,0,0|0,0,2]=4 725 B14R2.67 NCCOC1Cc2ccccc2C1 Amb33342510 [1,0,0,1,0,0|1,0,1]=4 726 B14R2.67 NOCCC1Cc2ccccc2C1 Amb33342868 [1,0,0,1,0,0|1,0,1]=4 727 B14R2.67 O=CCCC1Cc2ccccc2C1 Amb33342535 [1,0,0,1,0,0|1,0,1]=4 728 B14R2.67 OCCCC1Cc2ccccc2C1 Amb25761184 [1,0,0,1,0,0|1,0,1]=4 729 B14R2.67 OCCNC1Cc2ccccc2C1 Amb9373822 [1,0,0,1,0,0|1,0,0]=3 730 B14R2.67 OCCSC1Cc2ccccc2C1 Amb28043793 [1,0,0,1,0,0|2,0,0]=4 731 B14R2.67 SCCCC1Cc2ccccc2C1 Amb33342307 [1,0,0,1,0,0|1,0,1]=4 732 B14R2.67 [C-]#[N+]CCC1Cc2ccccc2C1 Amb33342893 [1,0,0,1,0,0|2,0,0]=4 733 B14R2.90 C#CC1CN(Cc2ccccc2)C1 Amb24749734 [1,0,0,1,0,0|2,0,0]=4 734 B14R2.90 N#CC1CN(Cc2ccccc2)C1 Amb21856946 [1,0,0,1,0,0|1,0,0]=3 735 B14R2.90 NCC1CC(Cc2ccccc2)C1 Amb25045598 [1,0,0,1,0,0|0,0,2]=4 736 B14R2.277 CC1CNC(C)C1c2ccncc2 Amb27489835 [1,0,0,1,0,0|1,0,1]=4 737 B14R2.277 CC1CNC(C)N1c2ccccc2 Amb27482651 [1,0,0,1,0,0|1,0,1]=4 738 B14R2.277 C[C@H]1CCC(=O)[C@@H]1c2ccccc2 Amb27855033 [1,0,0,1,0,0|1,0,1]=4 739 B14R2.287 CC1Cc2ccccc2C(C)CN1 Amb27206602 [1,0,0,1,0,0|0,0,1]=3 740 B14R2.287 CC1Cc2ccccc2C(O)CN1 Amb27638953 [1,0,0,1,0,0|1,0,0]=3 741 B14R2.411 CC1(Cc2ccccc2)CCCN1 Amb24451316 [1,0,0,1,0,0|0,0,1]=3 742 B14R2.411 CC1(Cc2ccccc2)CCCN1 Amb32835855 [1,0,0,1,0,0|0,0,1]=3 743 B14R2.411 CC1(Cc2ccccc2)CCNC1 Amb18966917 [1,0,0,1,0,0|2,0,0]=4 744 B14R2.411 CC1(Cc2ccccc2)NCCS1 Amb26847865 [1,0,0,1,0,0|1,0,0]=3 745 B14R2.517 CC1Cc2ccccc2N1CCCl Amb17337050 [1,0,0,1,0,0|1,0,0]=3 746 B14R2.517 CC1Cc2ccccc2N1CCI Amb27586076 [1,0,0,1,0,0|1,0,0]=3 747 B14R2.517 CC1Cc2ccccc2N1CCN Amb9677378 [1,0,0,1,0,0|0,0,1]=3 748 B14R2.517 CC1Cc2ccccc2N1CCN Amb9713442 [1,0,0,1,0,0|0,0,1]=3 749 B14R2.517 CCCN1c2ccccc2CC1C Amb27857753 [1,0,0,1,0,0|0,0,1]=3 750 B14R2.517 CSCN1c2ccccc2CC1C Amb27789074 [1,0,0,1,0,0|1,0,1]=4 751 B14R2.517 Cc1cc2ccccc2n1CC#N Amb18126690 [1,0,0,1,0,0|0,0,2]=4 752 B14R2.517 Cc1nc2ccccc2n1CC#N Amb33532870 [1,0,0,1,0,0|1,0,1]=4 753 B14R2.517 N#CCN1C(=O)Cc2ccccc21 Amb6263685 [1,0,0,1,0,0|1,0,1]=4 754 B14R2.517 N#CSC1c2ccccc2CC1O Amb26353566 [1,0,0,1,0,0|2,0,0]=4 755 B14R2.1039 CC1(Cc2ccccc2)CC1CCl Amb27608696 [1,0,0,1,0,0|1,0,1]=4 756 B14R2.1039 CC1(Cc2ccccc2)OC1C#N Amb27415360 [1,0,0,1,0,0|1,0,0]=3 757 B14R2.1146 C=CC1NC(C)Cc2ccccc21 Amb27224024 [1,0,0,1,0,0|0,0,2]=4 758 B14R2.1146 CC1C=C(C#N)c2ccccc2C1 Amb18126621 [1,0,0,1,0,0|0,0,2]=4 759 B14R2.1146 CC1Cc2ccccc2C(CN)N1 Amb27974132 [1,0,0,1,0,0|0,0,1]=3 760 B14R2.1146 CC1Cc2ccccc2N(C#N)C1 Amb28044666 [1,0,0,1,0,0|1,0,0]=3 761 B14R2.9589 CC(Cc1ccncc1)N2CCC2 Amb28078876 [1,0,0,1,0,0|1,0,1]=4 762 B14R2.8 N#CC1CCN(c2ccccc2)C1 Amb28292430 [0,0,0,1,1,0|2,0,0]=4 763 B14R2.21 CC1CCNC(c2ccccc2)C1 Amb24066154 [0,0,0,1,1,0|1,0,1]=4 764 B14R2.21 CN1CCNC(c2ccccc2)C1 Amb1672626 [0,0,0,1,1,0|2,0,0]=4 765 B14R2.21 CN1CCNC(c2ccccc2)C1 Amb24064755 [0,0,0,1,1,0|2,0,0]=4 766 B14R2.21 CN1CCN[C@@H](c2ccccc2)C1 Amb22032546 [0,0,0,1,1,0|2,0,0]=4 767 B14R2.21 NC1CCNC(c2ccccc2)C1 Amb25160938 [0,0,0,1,1,0|0,0,2]=4 768 B14R2.21 O=C1CCNC(c2ccccc2)C1 Amb17233086 [0,0,0,1,1,0|1,0,1]=4 769 B14R2.21 O=C1CCNC(c2ccccc2)C1 Amb22274020 [0,0,0,1,1,0|1,0,1]=4 770 B14R2.21 O=C1CCN[C@@H](c2ccccc2)C1 Amb27828475 [0,0,0,1,1,0|1,0,1]=4 771 B14R2.21 O=C1CCN[C@H](c2ccccc2)C1 Amb27230890 [0,0,0,1,1,0|1,0,1]=4 772 B14R2.21 O=S1CCNC(c2ccccc2)C1 Amb19374300 [0,0,0,1,1,0|2,0,0]=4 773 B14R2.21 O=S1CCN[C@@H](c2ccccc2)C1 Amb27608680 [0,0,0,1,1,0|2,0,0]=4 774 B14R2.21 OC1CCNC(c2ccccc2)C1 Amb17233271 [0,0,0,1,1,0|1,0,1]=4 775 B14R2.21 OC1CCNC(c2ccccc2)C1 Amb22035160 [0,0,0,1,1,0|1,0,1]=4 776 B14R2.21 O[C@H]1CCN[C@@H](c2ccccc2)C1 Amb28129750 [0,0,0,1,1,0|1,0,1]=4 777 B14R2.21 O[C@H]1CCN[C@@H](c2ccccc2)C1 Amb33089192 [0,0,0,1,1,0|1,0,1]=4 778 B14R2.41 N#CNC1CC(c2ccccc2)C1 Amb30016799 [0,0,0,1,1,0|2,0,0]=4 779 B14R2.114 CC(c1ccccc1)N2CCCO2 Amb28324710 [0,0,0,1,1,0|1,0,1]=4 780 B14R2.352 CC(N[C@@H]1C[C@H]1C)c2ccccc2 Amb27809313 [0,0,0,1,1,0|1,0,1]=4 781 B14R2.510 CN1CC(CC#N)c2ccccc21 Amb18126944 [0,0,0,1,1,0|2,0,0]=4 782 B14R2.510 N#CCC1NC(=O)c2ccccc21 Amb8484686 [0,0,0,1,1,0|1,0,1]=4 783 B14R2.792 CC(NCC1CC1)c2ccccc2 Amb6537887 [0,0,0,1,1,0|1,0,1]=4 784 B14R2.792 CC(NCC1CC1)c2ccccc2 Amb9742351 [0,0,0,1,1,0|1,0,1]=4 785 B14R2.794 CC(NC1CSC1)c2ccccc2 Amb27456225 [0,0,0,1,1,0|2,0,0]=4 786 B14R2.1131 CC1CCN(C#N)c2ccccc21 Amb28283625 [0,0,0,1,1,0|2,0,0]=4 787 B14R2.1131 CC[C@H]1CN[C@@H](C)c2ccccc21 Amb27637615 [0,0,0,1,1,0|1,0,1]=4 788 B14R2.1131 CN1CCC(C#N)c2ccccc21 Amb10609140 [0,0,0,1,1,0|2,0,0]=4 789 B14R2.4510 CC1NCCN(C)c2ccccc21 Amb25787158 [0,0,0,1,1,0|2,0,0]=4 790 B14R2.5540 CC1(c2ccccc2)CCCCN1 Amb18063210 [0,0,0,1,1,0|1,0,1]=4 791 B14R2.5540 CC1(c2ccccc2)COCCN1 Amb5751159 [0,0,0,1,1,0|2,0,0]=4 792 B14R2.5540 C[C@@]1(c2ccccc2)CCCCN1 Amb24440188 [0,0,0,1,1,0|1,0,1]=4 793 B14R2.5540 C[C@@]1(c2ccccc2)COCCN1 Amb33742234 [0,0,0,1,1,0|2,0,0]=4 794 B14R2.5540 C[C@]1(c2ccccc2)CCCCN1 Amb28193287 [0,0,0,1,1,0|1,0,1]=4 795 B14R2.5540 C[C@]1(c2ccccc2)COCCN1 Amb33734029 [0,0,0,1,1,0|2,0,0]=4 796 B16R2.252 CN1CCNC(CCc2ccccc2)C1 Amb18865095 [0,0,0,1,0,1|2,0,0]=4 797 B16R2.252 O=C1CCNC(CCc2ccccc2)C1 Amb18785348 [0,0,0,1,0,1|1,0,1]=4 798 B16R2.2334 N#CC1CCC(NCc2ccccc2)C1 Amb28192790 [0,0,0,1,0,1|1,0,0]=3 799 B16R2.2334 N#CC1CCN(CCc2ccccc2)C1 Amb31172864 [0,0,0,1,0,1|2,0,0]=4 800 B16R2.2334 N#CN1CCC(OCc2ccccc2)C1 Amb24626371 [0,0,0,1,0,1|2,0,0]=4 801 B16R2.2441 CCCCNC1CCc2ccccc2C1 Amb9220726 [0,0,0,1,0,1|1,0,1]=4 802 B16R2.2441 COCCNC1CCc2ccccc2C1 Amb9220598 [0,0,0,1,0,1|2,0,0]=4 803 B16R2.2441 OCCCNC1CCc2ccccc2C1 Amb9220716 [0,0,0,1,0,1|1,0,1]=4 804 B16R2.3260 CC1CN(c2ccccc2)C(=O)CCN1 Amb31116714 [0,0,0,1,0,1|1,0,1]=4 805 B16R2.3627 N#CCC1CC(OCc2ccccc2)C1 Amb24749877 [0,0,0,1,0,1|1,0,0]=3 806 B16R2.3627 N#CC[C@H]1C[C@@H](OCc2ccccc2)C1 Amb24178924 [0,0,0,1,0,1|1,0,0]=3 807 B16R2.3627 N#CC[C@H]1C[C@H](OCc2ccccc2)C1 Amb24178928 [0,0,0,1,0,1|1,0,0]=3 808 B16R2.30013 CC1CCc2ccccc2N1CCCCl Amb27610840 [0,0,0,1,0,1|1,0,1]=4 809 B16R2.30013 CC1COc2ccccc2N1CCCN Amb18061716 [0,0,0,1,0,1|0,0,2]=4 810 B16R2.30013 CNCCN1c2ccccc2OCC1C Amb31143055 [0,0,0,1,0,1|2,0,0]=4 811 B16R2.30013 N#CCCN1C(=O)COc2ccccc21 Amb2644674 [0,0,0,1,0,1|1,0,1]=4 812 B16R2.44153 CC(CCc1ccccc1)NCC2CC2 Amb6686762 [0,0,0,1,0,1|1,0,1]=4 813 B16R2.23 CCN1CCNC(Cc2ccccc2)C1 Amb21936966 [0,1,0,1,0,0|1,0,1]=4 814 B16R2.23 N#CC1CCCN(Cc2ccccc2)C1 Amb8950095 [0,1,0,1,0,0|2,0,0]=4 815 B16R2.23 N#CC1CN(Cc2ccccc2)CCO1 Amb10608530 [0,1,0,1,0,0|2,0,0]=4 816 B16R2.23 N#CC1CN(Cc2ccccc2)CCS1 Amb27767187 [0,1,0,1,0,0|2,0,0]=4 817 B16R2.88 CC(Cc1ccccc1)N2CCNCC2 Amb17089402 [0,1,0,1,0,0|1,0,1]=4 818 B16R2.92 N#CCC1CCN(Cc2ccccc2)C1 Amb5722273 [0,1,0,1,0,0|2,0,0]=4 819 B16R2.92 OCCC1CSC(Cc2ccccc2)N1 Amb32946501 [0,1,0,1,0,0|1,0,1]=4 820 B16R2.2875 CCCCCNC1Cc2ccccc2C1 Amb9373570 [0,1,0,1,0,0|1,0,1]=4 821 B16R2.2875 CCOCCNC1Cc2ccccc2C1 Amb9454286 [0,1,0,1,0,0|1,0,1]=4 822 B16R2.2875 COCCCNC1Cc2ccccc2C1 Amb9373757 [0,1,0,1,0,0|1,0,1]=4 823 B16R2.6335 CC1Cc2ccccc2N1CCCCCl Amb17342938 [0,1,0,1,0,0|1,0,1]=4 824 B16R2.6335 Cc1nc2ccccc2n1CCCC#N Amb6257366 [0,1,0,1,0,0|1,0,1]=4 825 B16R2.12202 CC1Cc2ccccc2N(CCCN)C1 Amb31142791 [0,1,0,1,0,0|0,0,2]=4 826 B16R2.13402 CC1(Cc2ccccc2)CNCCNC1 Amb18865093 [0,1,0,1,0,0|2,0,0]=4 827 B16R2.13402 CC1(Cc2ccccc2)CNCCOC1 Amb18567351 [0,1,0,1,0,0|2,0,0]=4 828 B16R2.2209 CC(c1ccccc1)C2CCCCCN2 Amb32684591 [0,1,0,1,0,0|1,0,1]=4 829 B16R2.2209 OC(c1ccccc1)C2CCCCCN2 Amb18782213 [0,1,0,1,0,0|1,0,1]=4 830 B16R2.6780 CC(C(O)c1ccccc1)N2CCCC2 Amb31292682 [0,1,0,1,0,0|1,0,1]=4 831 B16R2.6780 C[C@@H]([C@H](N)c1ccccc1)N2CCCC2 Amb33742860 [0,1,0,1,0,0|1,0,1]=4 832 B16R2.6780 C[C@@H]([C@H](O)c1ccccc1)N2CCCC2 Amb22366946 [0,1,0,1,0,0|1,0,1]=4 833 B16R2.30799 Cc1c(C)n(CCC#N)c2ccccc12 Amb2616218 [0,1,0,1,0,0|0,0,2]=4 834 B16R2.20 Cc1ccc(CN2CCC(C#N)C2)cc1 Amb31172854 [0,1,0,1,0,0|2,0,0]=4 835 B16R2.20 N#CC1CCN(Cc2ccc(Br)cc2)C1 Amb29888901 [0,1,0,1,0,0|2,0,0]=4 836 B16R2.20 N#CC1CCN(Cc2ccc(Cl)cc2)C1 Amb31172860 [0,1,0,1,0,0|2,0,0]=4 837 B16R2.20 N#CC1CCN(Cc2ccc(F)cc2)C1 Amb31172857 [0,1,0,1,0,0|2,0,0]=4 838 B16R2.20 N#CC1CCN(Cc2ccc(I)cc2)C1 Amb29888909 [0,1,0,1,0,0|2,0,0]=4 839 B16R2.131 CN1CCNC(Cc2ccc(Br)cc2)C1 Amb18593456 [0,1,0,1,0,0|2,0,0]=4 840 B16R2.131 CN1CCNC(Cc2ccc(Cl)cc2)C1 Amb18571188 [0,1,0,1,0,0|2,0,0]=4 841 B16R2.131 CN1CCNC(Cc2ccc(F)cc2)C1 Amb18568478 [0,1,0,1,0,0|2,0,0]=4 842 B16R2.131 Cc1ccc(CC2CC(=O)CCN2)cc1 Amb18785346 [0,1,0,1,0,0|1,0,1]=4 843 B16R2.131 Cc1ccc(CC2CN(C)CCN2)cc1 Amb18567113 [0,1,0,1,0,0|2,0,0]=4 844 B16R2.131 N[C@H]1CCN[C@H](Cc2ccc(Cl)cc2)C1 Amb31378857 [0,1,0,1,0,0|0,0,2]=4 845 B16R2.131 O=C1CCNC(Cc2ccc(Cl)cc2)C1 Amb18761582 [0,1,0,1,0,0|1,0,1]=4 846 B16R2.131 O=C1CCNC(Cc2ccc(F)cc2)C1 Amb18779242 [0,1,0,1,0,0|1,0,1]=4 847 B16R2.133 CC(Cc1ccc(N)cc1)N2CCCC2 Amb18050242 [0,1,0,1,0,0|1,0,1]=4 848 B16R2.33330 Brc1ccc(CC2CCCCCN2)cc1 Amb3793479 [0,1,0,1,0,0|1,0,1]=4 849 B16R2.33330 Cc1ccc(CC2CCCCCN2)cc1 Amb2235767 [0,1,0,1,0,0|1,0,1]=4 850 B16R2.33330 Clc1ccc(CC2CCCCCN2)cc1 Amb3789636 [0,1,0,1,0,0|1,0,1]=4 851 B16R2.33330 Fc1ccc(CC2CCCCCN2)cc1 Amb3788934 [0,1,0,1,0,0|1,0,1]=4 852 B16R2.33330 Ic1ccc(CC2CCCCCN2)cc1 Amb32430445 [0,1,0,1,0,0|1,0,1]=4 853 B16R2.33330 Oc1ccc(CC2CCCCCN2)cc1 Amb32430447 [0,1,0,1,0,0|1,0,1]=4 854 B16R2.251 CN1CCNC(Cc2cccc(Br)c2)C1 Amb18074901 [0,1,0,1,0,0|2,0,0]=4 855 B16R2.251 CN1CCNC(Cc2cccc(Cl)c2)C1 Amb18571184 [0,1,0,1,0,0|2,0,0]=4 856 B16R2.251 CN1CCNC(Cc2cccc(F)c2)C1 Amb18568482 [0,1,0,1,0,0|2,0,0]=4 857 B16R2.251 Cc1cccc(CC2CN(C)CCN2)c1 Amb18567109 [0,1,0,1,0,0|2,0,0]=4 858 B16R2.2333 Cc1cccc(CN2CCC(C#N)C2)c1 Amb31172853 [0,1,0,1,0,0|2,0,0]=4 859 B16R2.2333 N#CC1CCN(Cc2cccc(Br)c2)C1 Amb29888902 [0,1,0,1,0,0|2,0,0]=4 860 B16R2.2333 N#CC1CCN(Cc2cccc(Cl)c2)C1 Amb31172859 [0,1,0,1,0,0|2,0,0]=4 861 B16R2.2333 N#CC1CCN(Cc2cccc(F)c2)C1 Amb31172856 [0,1,0,1,0,0|2,0,0]=4 862 B16R2.2400 CC1CC(C#N)CN1Cc2ccccc2 Amb27252659 [0,1,0,1,0,0|2,0,0]=4 863 B16R2.2400 N#CC1CC(=O)N(Cc2ccccc2)C1 Amb5755419 [0,1,0,1,0,0|2,0,0]=4 864 B16R2.734 COCC(C)NC1Cc2ccccc2C1 Amb9373582 [0,1,0,1,0,0|2,0,0]=4 865 B16R2.2374 CC1CN(Cc2ccccc2)CC1C#N Amb2695830 [0,1,0,1,0,0|2,0,0]=4 866 B16R2.2374 N#CC1CN(Cc2ccccc2)CC1Br Amb26423372 [0,1,0,1,0,0|2,0,0]=4 867 B16R2.2374 N#CC1CN(Cc2ccccc2)CC1Cl Amb26055479 [0,1,0,1,0,0|2,0,0]=4 868 B16R2.2374 N#CC1CN(Cc2ccccc2)CC1I Amb26569991 [0,1,0,1,0,0|2,0,0]=4 869 B16R2.2374 N#CC1CN(Cc2ccccc2)CC1O Amb27977878 [0,1,0,1,0,0|2,0,0]=4 870 B16R2.2374 N#CC1CN(Cc2ccccc2)CC1S Amb25275702 [0,1,0,1,0,0|2,0,0]=4 871 B16R2.2822 CC1CN(C)C[C@@H](Cc2ccccc2)N1 Amb18783735 [0,1,0,1,0,0|2,0,0]=4 872 B16R2.2822 C[C@@H]1CN(C)CC(Cc2ccccc2)N1 Amb18783736 [0,1,0,1,0,0|2,0,0]=4 873 B16R2.2 N#CC1CCC(Oc2ccccc2)CC1 Amb31116204 [0,1,0,1,0,0|2,0,0]=4 874 B16R2.2 N#CC1CCN(Cc2ccccc2)CC1 Amb579464 [0,1,0,1,0,0|2,0,0]=4 875 B16R2.2 NCC1CCC(Cc2ccccc2)NC1 Amb18783818 [0,1,0,1,0,0|0,0,2]=4 876 B16R2.2 OCC1CNC(Cc2ccccc2)CN1 Amb17579160 [0,1,0,1,0,0|1,0,1]=4 877 B16R2.124 C[C@@H]1CN[C@H](Cc2ccccc2)CN1C Amb18783748 [0,1,0,1,0,0|2,0,0]=4 878 B16R2.1227 CC(C#N)C1CN(Cc2ccccc2)C1 Amb27636585 [0,1,0,1,0,0|2,0,0]=4 879 B16R2.8241 N#CC1(Cl)CCN(Cc2ccccc2)C1 Amb24528266 [0,1,0,1,0,0|2,0,0]=4 880 B16R2.8241 N#CC1(N)CCN(Cc2ccccc2)C1 Amb7808558 [0,1,0,1,0,0|2,0,0]=4 881 B16R2.8241 N#CC1(O)CCN(Cc2ccccc2)C1 Amb9295067 [0,1,0,1,0,0|2,0,0]=4 882 B16R2.33562 CC1Cc2ccccc2N1CC(O)CBr Amb27247962 [0,1,0,1,0,0|1,0,1]=4 883 B16R2.33562 CC1Cc2ccccc2N1CC(O)CF Amb33220193 [0,1,0,1,0,0|1,0,1]=4 884 B16R2.101 NCC(Cc1ccccc1)N2CCCC2 Amb1129117 [0,1,0,1,0,0|1,0,1]=4 885 B16R2.101 OC[C@@H](Cc1ccccc1)N2CCCC2 Amb30628595 [0,1,0,1,0,0|1,0,1]=4 886 B16R2.112 CCc1nc2ccccc2n1CCC#N Amb2570636 [0,1,0,1,0,0|1,0,1]=4 887 B16R2.676 CCC(Cc1ccccc1)NCC2CC2 Amb33496244 [0,1,0,1,0,0|1,0,1]=4 888 B16R2.492 CC(C)CCNC1Cc2ccccc2C1 Amb9373618 [0,1,0,1,0,0|1,0,1]=4 889 B16R2.492 CC(O)CCNC1Cc2ccccc2C1 Amb33455978 [0,1,0,1,0,0|1,0,1]=4 890 B16R2.4003 CC(=O)CCN1c2ccccc2CC1C Amb17402744 [0,1,0,1,0,0|1,0,1]=4 891 B16R2.4003 CC1Cc2ccccc2N1CCC(=O)Cl Amb17143975 [0,1,0,1,0,0|1,0,1]=4 892 B16R2.4003 CC1Cc2ccccc2N1CCC(N)=O Amb17143315 [0,1,0,1,0,0|0,0,2]=4 893 B16R2.14817 O=S1(=O)CCNC(Cc2ccccc2)C1 Amb18571307 [0,1,0,1,0,0|2,0,0]=4 894 B16R2.2363 Cc1ccccc1CN2CCC(C#N)C2 Amb31172852 [0,1,0,1,0,0|2,0,0]=4 895 B16R2.2363 N#CC1CCN(Cc2ccccc2Br)C1 Amb29888903 [0,1,0,1,0,0|2,0,0]=4 896 B16R2.2363 N#CC1CCN(Cc2ccccc2Cl)C1 Amb31172858 [0,1,0,1,0,0|2,0,0]=4 897 B16R2.2363 N#CC1CCN(Cc2ccccc2F)C1 Amb31172855 [0,1,0,1,0,0|2,0,0]=4 898 B16R2.2923 CN1CCNC(Cc2ccccc2Br)C1 Amb18593460 [0,1,0,1,0,0|2,0,0]=4 899 B16R2.2923 CN1CCNC(Cc2ccccc2Cl)C1 Amb18571180 [0,1,0,1,0,0|2,0,0]=4 900 B16R2.2923 CN1CCNC(Cc2ccccc2F)C1 Amb18568474 [0,1,0,1,0,0|2,0,0]=4 901 B16R2.2923 Cc1ccccc1CC2CC(=O)CCN2 Amb18785347 [0,1,0,1,0,0|1,0,1]=4 902 B16R2.2923 Cc1ccccc1CC2CN(C)CCN2 Amb18567105 [0,1,0,1,0,0|2,0,0]=4 903 B16R2.2923 O=C1CCNC(Cc2ccccc2Cl)C1 Amb18761580 [0,1,0,1,0,0|1,0,1]=4 904 B16R2.2923 O=C1CCNC(Cc2ccccc2F)C1 Amb18779243 [0,1,0,1,0,0|1,0,1]=4 905 B16R2.24848 Cc1ccccc1CC2CCCCCN2 Amb2235764 [0,1,0,1,0,0|1,0,1]=4 906 B16R2.24848 Clc1ccccc1CC2CCCCCN2 Amb3789633 [0,1,0,1,0,0|1,0,1]=4 907 B16R2.24848 Fc1ccccc1CC2CCCCCN2 Amb3788932 [0,1,0,1,0,0|1,0,1]=4 908 B16R3.1272 OCC1CC2Cc3ccccc3N2C1 Amb28077949 [0,0,0,2,0,0|1,0,1]=4 909 B16R3.2274 CN1CC2Cc3ccccc3C(C1)N2 Amb28208495 [0,0,0,2,0,0|2,0,0]=4 910 B16R3.2274 O=C1CC2Cc3ccccc3C(C1)N2 Amb27749330 [0,0,0,2,0,0|1,0,1]=4 911 B16R3.2637 CN1CCN2c3ccccc3CC2C1 Amb25063226 [0,0,0,2,0,0|2,0,0]=4 912 B16R3.27838 CC1CCN[C@@H]2Cc3ccccc3[C@H]12 Amb28255574 [0,0,0,2,0,0|1,0,1]=4 913 B16R3.27838 CC1NCCN2Cc3ccccc3C12 Amb18650018 [0,0,0,2,0,0|2,0,0]=4 914 B16R3.1722 c1ccc2c(c1)CC3CCNCCN23 Amb27597489 [0,0,0,2,0,0|2,0,0]=4 915 B16R3.1722 c1ccc2c(c1)CC3CNCCCN23 Amb25689634 [0,0,0,2,0,0|0,0,2]=4 916 B16R3.1722 c1ccc2c(c1)CC3NCCCOC23 Amb20668498 [0,0,0,2,0,0|1,0,1]=4 917 B16R3.1722 c1ccc2c(c1)CC3NCCCOC23 Amb9358469 [0,0,0,2,0,0|1,0,1]=4 918 B16R3.5925 c1ccc2c(c1)CC(N3CCCC3)C2 Amb22522026 [0,0,0,2,0,0|1,0,1]=4 919 B16R3.3519 CC1Cc2ccccc2N1C[C@@H]3CO3 Amb28076034 [0,0,0,2,0,0|1,0,1]=4 920 B16R3.275948 c1ccc2c(c1)CC(NCC3CC3)C2 Amb9373559 [0,0,0,2,0,0|1,0,1]=4 921 B16R3.63995 c1ccc2c(c1)CC(NC3CNC3)C2 Amb28280351 [0,0,0,2,0,0|2,0,0]=4 922 B16R3.65859 c1ccc2c(c1)CC3(COCCN3)C2 Amb27859520 [0,0,0,2,0,0|2,0,0]=4 923 B16R3.53460 CC1Cc2cccc3c2C(CC3C)N1 Amb27831798 [0,0,0,2,0,0|1,0,1]=4 924 B12R1.30 C#CCCC(C)c1ccccc1 Amb33081910 [1,0,0,0,1,0|1,0,0]=3 925 B12R1.30 C#CCCC(N)c1ccccc1 Amb25959477 [1,0,0,0,1,0|2,0,0]=4 926 B12R1.30 C#CCCC(O)c1ccccc1 Amb18800360 [1,0,0,0,1,0|2,0,0]=4 927 B12R1.30 C#CCCN(C)c1ccccc1 Amb10559135 [1,0,0,0,1,0|2,0,0]=4 928 B12R1.30 C#CCNC(C)c1ccccc1 Amb2721857 [1,0,0,0,1,0|0,0,1]=3 929 B12R1.30 C#CCN[C@H](C)c1ccccc1 Amb27389242 [1,0,0,0,1,0|0,0,1]=3 930 B12R1.30 C#CCN[C@H](C)c1ccncc1 Amb28280209 [1,0,0,0,1,0|1,0,1]=4 931 B12R1.30 C=CCCC(C)c1ccccc1 Amb24062989 [1,0,0,0,1,0|1,0,1]=4 932 B12R1.30 C=CCNC(C)c1ccccc1 Amb6683836 [1,0,0,0,1,0|0,0,2]=4 933 B12R1.30 CC(CCC#N)c1ccccc1 Amb18645228 [1,0,0,0,1,0|0,0,0]=2 934 B12R1.30 CC(CCC=O)c1ccccc1 Amb18645711 [1,0,0,0,1,0|1,0,1]=4 935 B12R1.30 CC(CCCBr)c1ccccc1 Amb33082370 [1,0,0,0,1,0|1,0,1]=4 936 B12R1.30 CC(CCCN)c1ccccc1 Amb18563593 [1,0,0,0,1,0|0,0,2]=4 937 B12R1.30 CC(CCCO)c1ccccc1 Amb33213887 [1,0,0,0,1,0|1,0,1]=4 938 B12R1.30 CC(CCCS)c1ccccc1 Amb33082130 [1,0,0,0,1,0|1,0,1]=4 939 B12R1.30 CC(CCON)c1ccccc1 Amb33081860 [1,0,0,0,1,0|1,0,1]=4 940 B12R1.30 CC(CNC#N)c1ccccn1 Amb35701235 [1,0,0,0,1,0|2,0,0]=4 941 B12R1.30 CC(NCC#N)c1ccccc1 Amb6706903 [1,0,0,0,1,0|0,0,0]=2 942 B12R1.30 CC(NCCCl)c1ccccc1 Amb17335659 [1,0,0,0,1,0|1,0,0]=3 943 B12R1.30 CC(NCCN)c1ccccc1 Amb17091024 [1,0,0,0,1,0|0,0,1]=3 944 B12R1.30 CC(NCCO)c1ccccc1 Amb2092663 [1,0,0,0,1,0|1,0,0]=3 945 B12R1.30 CC(NCCO)c1ccccn1 Amb7809203 [1,0,0,0,1,0|2,0,0]=4 946 B12R1.30 CC(NCCO)c1cccnc1 Amb7809201 [1,0,0,0,1,0|2,0,0]=4 947 B12R1.30 CC(NCCO)c1ccncc1 Amb7809202 [1,0,0,0,1,0|2,0,0]=4 948 B12R1.30 CC(OCCN)c1ccccc1 Amb6248427 [1,0,0,0,1,0|1,0,1]=4 949 B12R1.30 CC(OCCO)c1ccccc1 Amb24103429 [1,0,0,0,1,0|2,0,0]=4 950 B12R1.30 CC(SCCN)c1ccccc1 Amb17500453 [1,0,0,0,1,0|1,0,1]=4 951 B12R1.30 CCCNC(C)c1ccccc1 Amb6335367 [1,0,0,0,1,0|0,0,1]=3 952 B12R1.30 CCCNC(C)c1ccccc1 Amb9726952 [1,0,0,0,1,0|0,0,1]=3 953 B12R1.30 CCCNC(C)c1ccccn1 Amb6267689 [1,0,0,0,1,0|1,0,1]=4 954 B12R1.30 CCCNC(C)c1cccnc1 Amb6278552 [1,0,0,0,1,0|1,0,1]=4 955 B12R1.30 CCCNC(C)c1ccncc1 Amb6279575 [1,0,0,0,1,0|1,0,1]=4 956 B12R1.30 CN(CCC#N)c1ccccc1 Amb6357793 [1,0,0,0,1,0|1,0,0]=3 957 B12R1.30 CNCCC(C)c1ccccc1 Amb5739286 [1,0,0,0,1,0|2,0,0]=4 958 B12R1.30 C[C@@H](NCCCl)c1ccccc1 Amb30621967 [1,0,0,0,1,0|1,0,0]=3 959 B12R1.30 C[C@@H](NCCO)c1ccccc1 Amb2721786 [1,0,0,0,1,0|1,0,0]=3 960 B12R1.30 C[C@H](NCC#N)c1ccccc1 Amb27413002 [1,0,0,0,1,0|0,0,0]=2 961 B12R1.30 C[C@H](NCC#N)c1cccnc1 Amb27758272 [1,0,0,0,1,0|1,0,0]=3 962 B12R1.30 C[C@H](NCCO)c1ccccc1 Amb2698698 [1,0,0,0,1,0|1,0,0]=3 963 B12R1.30 N#CCCC(=O)c1ccccc1 Amb1672449 [1,0,0,0,1,0|1,0,1]=4 964 B12R1.30 N#CCCC(N)c1ccccc1 Amb26967002 [1,0,0,0,1,0|1,0,0]=3 965 B12R1.30 N#CCCC(N)c1ccccc1 Amb30584969 [1,0,0,0,1,0|1,0,0]=3 966 B12R1.30 N#CCCC(O)c1ccccc1 Amb17232364 [1,0,0,0,1,0|1,0,0]=3 967 B12R1.30 N#CCCC(O)c1cccnc1 Amb17232405 [1,0,0,0,1,0|2,0,0]=4 968 B12R1.30 N#CCNC(=O)c1ccccc1 Amb6346069 [1,0,0,0,1,0|1,0,1]=4 969 B12R1.30 N#CNCC(O)c1ccccc1 Amb18800628 [1,0,0,0,1,0|2,0,0]=4 970 B12R1.30 N#CSCC(Cl)c1ccccc1 Amb27955263 [1,0,0,0,1,0|2,0,0]=4 971 B12R1.30 [C-]#[N+]CCC(C)c1ccccc1 Amb33081599 [1,0,0,0,1,0|2,0,0]=4 972 B12R1.53 CC(CCC#N)Nc1ccsc1 Amb35661402 [1,0,0,0,1,0|2,0,0]=4 973 B12R1.53 CN(CCC#N)Cc1ccco1 Amb8830776 [1,0,0,0,1,0|2,0,0]=4 974 B16R1.1694 CC(CNCC#N)COCc1ccccc1 Amb27266346 [0,0,0,0,0,2|2,0,0]=4 975 B16R1.1694 CC(COCc1ccccc1)NCCC#N Amb27214312 [0,0,0,0,0,2|0,0,0]=2 976 B16R1.1694 CC(COCc1ccccc1)NCCCF Amb27442529 [0,0,0,0,0,2|1,0,1]=4 977 B16R1.1694 CCCCNC(C)COCc1ccccc1 Amb27214311 [0,0,0,0,0,2|1,0,1]=4 978 B16R1.1694 COCCNC(C)COCc1ccccc1 Amb27266320 [0,0,0,0,0,2|2,0,0]=4