0 B16R2.36 CC(=O)NCCN1CCc2c1cccc2 Amb11249573 [0,0,0,0,0,0|2,0,1]=3 1 B16R2.36 CC(=O)NCCc1[n][n]c2cccc[n]12 Amb23484851 [0,0,0,0,0,0|2,0,1]=3 2 B16R2.36 CC(=O)OCC[n]1ccc2ccc[n]c12 Amb24069689 [0,0,0,0,0,0|4,0,0]=4 3 B16R2.36 CC(C)NCCc1c[nH]c2[n]cccc12 Amb23557785 [0,0,0,0,0,0|2,0,1]=3 4 B16R2.36 CC(C)NCCc1c[nH]c2ccccc12 Amb22587949 [0,0,0,0,0,0|1,0,1]=2 5 B16R2.36 NC(=N)NCCc1c[nH]c2ccccc12 Amb18566550 [0,0,0,0,0,0|2,0,0]=2 6 B16R2.36 NC(=O)CSCc1c[nH]c2c1cccc2 Amb1903972 [0,0,0,0,0,0|3,0,0]=3 7 B16R2.36 NC(=O)N\N=C\c1c[nH]c2c1cccc2 Amb1144923 [0,0,0,0,0,0|2,0,1]=3 8 B16R2.36 NC(=S)NN=Cc1c[nH]c2ccccc12 Amb24076620 [0,0,0,0,0,0|2,1,1]=4 9 B16R2.36 OC(=O)CCCc1[n][nH]c2ccccc12 Amb18784761 [0,0,0,0,0,0|3,0,0]=3 10 B16R2.36 OC(=O)CCCc1c[nH]c2[n]cc[n]c12 Amb18783205 [0,0,0,0,0,0|4,0,0]=4 11 B16R2.36 OC(=O)CCCc1c[nH]c2cc[n]cc12 Amb18784740 [0,0,0,0,0,0|3,0,0]=3 12 B16R2.36 OC(=O)CCCc1c[nH]c2ccccc12 Amb22352078 [0,0,0,0,0,0|2,0,0]=2 13 B16R2.36 OC(=O)CSCc1c[nH]c2c1cccc2 Amb1901850 [0,0,0,0,0,0|3,0,0]=3 14 B16R2.36 OC(=O)C\C=C\c1c[nH]c2ccccc21 Amb18566346 [0,0,0,0,0,0|2,0,2]=4 15 B16R2.36 [O-]C(=O)CCCc1c[nH]c2ccccc12 Amb24097127 [0,0,0,0,0,0|2,0,0]=2 16 B16R2.36 [S-]C(=S)NCCc1c[nH]c2c1cccc2 Amb16757935 [0,0,0,0,0,0|1,1,0]=2 17 B15R2.5 CCCCNc1c[nH]c2ccccc12 Amb25697144 [1,0,0,0,0,0|2,0,1]=4 18 B15R2.5 CNCCCc1c[nH]c2ccccc12 Amb18564544 [1,0,0,0,0,0|2,0,0]=3 19 B15R2.5 CNCCOc1c[nH]c2ccccc12 Amb24069995 [1,0,0,0,0,0|3,0,0]=4 20 B15R2.5 C\C=C\CSc1c[nH]c2ccccc12 Amb24521556 [1,0,0,0,0,0|2,0,0]=3 21 B15R2.5 C\C=N\CCc1c[nH]c2ccccc12 Amb24550176 [1,0,0,0,0,0|0,0,1]=2 22 B15R2.5 N#CCCCc1c[nH]c2ccccc12 Amb18648956 [1,0,0,0,0,0|2,0,1]=4 23 B15R2.5 N#CNCCc1c[nH]c2ccccc12 Amb25231872 [1,0,0,0,0,0|1,0,1]=3 24 B15R2.5 N#CSCCc1c[nH]c2ccccc12 Amb24356667 [1,0,0,0,0,0|2,0,1]=4 25 B15R2.5 NCCCCc1c[nH]c2ccccc21 Amb18564547 [1,0,0,0,0,0|2,0,1]=4 26 B15R2.5 O=C=NCCc1c[nH]c2ccccc12 Amb18564374 [1,0,0,0,0,0|0,0,2]=3 27 B15R2.5 O=CCCCc1c[nH]c2ccccc12 Amb18863217 [1,0,0,0,0,0|1,0,0]=2 28 B15R2.5 O=CNCC[n]1c[n]c2ccccc12 Amb24073043 [1,0,0,0,0,0|1,0,1]=3 29 B15R2.5 O=CN\C=C\c1c[nH]c2ccccc12 Amb24517099 [1,0,0,0,0,0|0,0,2]=3 30 B15R2.5 OCCCCc1c[nH]c2ccccc21 Amb18863463 [1,0,0,0,0,0|1,0,2]=4 31 B15R2.5 SCCCCc1c[nH]c2ccccc21 Amb18567585 [1,0,0,0,0,0|1,1,1]=4 32 B17R2.4 BrCC(=O)NCCc1c[nH]c2c1cccc2 Amb17331669 [0,1,0,0,0,0|0,0,0]=1 33 B17R2.4 CCC(=O)NCCN1CCc2c1cccc2 Amb16775835 [0,1,0,0,0,0|2,0,1]=4 34 B17R2.4 CCC(=O)NCCc1c[nH]c2c1cccc2 Amb1797882 [0,1,0,0,0,0|0,0,0]=1 35 B17R2.4 CCC(=O)NCCc1nnc2n1cccc2 Amb16021970 [0,1,0,0,0,0|2,0,1]=4 36 B17R2.4 CNC(=O)NCCc1c[nH]c2[n]cccc12 Amb20567432 [0,1,0,0,0,0|1,0,0]=2 37 B17R2.4 CNC(=O)NCCc1c[nH]c2c1cccc2 Amb2132777 [0,1,0,0,0,0|0,0,0]=1 38 B17R2.4 CNC(=O)NCCc1c[s]c2ccccc21 Amb22098633 [0,1,0,0,0,0|1,0,0]=2 39 B17R2.4 CNC(=S)NCCc1c[nH]c2c1cccc2 Amb1153171 [0,1,0,0,0,0|0,1,0]=2 40 B17R2.4 CNC(=S)N\N=C\c1c[nH]c2c1cccc2 Amb1776535 [0,1,0,0,0,0|1,1,1]=4 41 B17R2.4 COC(=O)NCCN1CCc2c1cccc2 Amb16775888 [0,1,0,0,0,0|2,0,1]=4 42 B17R2.4 ClCC(=O)NCCc1c[nH]c2c1cccc2 Amb1661209 [0,1,0,0,0,0|0,0,0]=1 43 B17R2.4 N#CC(NCCc1c[nH]c2c1cccc2)C Amb17044882 [0,1,0,0,0,0|1,0,1]=3 44 B17R2.4 NCC(=O)NCCc1c[nH]c2c1cccc2 Amb10072650 [0,1,0,0,0,0|0,0,0]=1 45 B17R2.4 NNC(=O)NCCc1c[nH]c2ccccc12 Amb18570399 [0,1,0,0,0,0|1,0,0]=2 46 B17R2.4 O=C(CCl)NCCN1CCc2ccccc12 Amb19372764 [0,1,0,0,0,0|2,0,1]=4 47 B17R2.16 OC(=O)C(CCc1c[nH]c2c1cccc2)N Amb16192931 [0,1,0,0,0,0|2,0,0]=3 48 B17R2.39 CC(=O)N[C@H](C)C[n]1[n][n]c2ccccc12 Amb20125866 [0,1,0,0,0,0|2,0,1]=4 49 B17R2.39 CC(C)NC(C)Cc1c[nH]c2ccccc12 Amb18225716 [0,1,0,0,0,0|1,0,1]=3 50 B17R2.39 CC(Cc1c[nH]c2ccccc12)CC(O)=O Amb18171185 [0,1,0,0,0,0|2,0,0]=3 51 B17R2.39 CN(Cc1c[nH]c2ccccc12)CC(O)=O Amb18226110 [0,1,0,0,0,0|3,0,0]=4 52 B17R2.39 NC(Cc1c[nH]c2ccccc12)CC(O)=O Amb18226109 [0,1,0,0,0,0|2,0,0]=3 53 B17R2.39 N[C@@H](Cc1c[nH]c2ccccc12)CC(O)=O Amb22352952 [0,1,0,0,0,0|2,0,0]=3 54 B17R2.39 N[C@@H](Cc1csc2c1cccc2)CC(=O)O Amb10603270 [0,1,0,0,0,0|3,0,0]=4 55 B17R2.877 CC(=O)NNC(=O)c1c[nH]c2c1cccc2 Amb2439220 [0,1,0,0,0,0|1,0,1]=3 56 B17R2.877 CC(C)NCC(O)c1c[nH]c2ccccc12 Amb18570522 [0,1,0,0,0,0|1,0,1]=3 57 B17R2.877 OC(=O)CCC(O)c1c[nH]c2ccccc12 Amb18768199 [0,1,0,0,0,0|2,0,0]=3 58 B17R2.3413 CC(C)(C)NCCc1c[nH]c2ccccc12 Amb18244443 [0,1,0,0,0,0|1,0,1]=3 59 B17R2.3451 CC(=O)NCCn1ccc2c1ccc(c2)Br Amb19147162 [0,1,0,0,0,0|2,0,0]=3 60 B17R2.3451 CC(C)NCCc1c[nH]c2cc(Cl)ccc12 Amb18899710 [0,1,0,0,0,0|1,0,1]=3 61 B17R2.3451 CC(C)NCCc1c[nH]c2cc(F)ccc12 Amb18245525 [0,1,0,0,0,0|1,0,1]=3 62 B17R2.3451 Cc1cc2[nH]cc(CCNC(C)C)c2cc1 Amb18896534 [0,1,0,0,0,0|1,0,1]=3 63 B17R2.3451 Nc1cc2[nH]cc(CCCC(O)=O)c2cc1 Amb18169692 [0,1,0,0,0,0|2,0,0]=3 64 B17R2.3451 OC(=O)CCCc1c[nH]c2c1ccc(c2)C Amb17063399 [0,1,0,0,0,0|2,0,0]=3 65 B17R2.3451 OC(=O)CCCc1c[nH]c2c1ccc(c2)Cl Amb17063406 [0,1,0,0,0,0|2,0,0]=3 66 B17R2.3451 OC(=O)CCCc1c[nH]c2c1ccc(c2)F Amb17063402 [0,1,0,0,0,0|2,0,0]=3 67 B17R2.5025 CC(=O)NCCN1C(C)Cc2ccccc12 Amb21395092 [0,1,0,0,0,0|2,0,1]=4 68 B17R2.5025 CC(=O)NCCN1c2ccccc2NC1=O Amb19117348 [0,1,0,0,0,0|1,0,0]=2 69 B17R2.5025 CC(=O)NCCN1c2ccccc2OC1=O Amb20643931 [0,1,0,0,0,0|2,0,0]=3 70 B17R2.5025 CC(=O)NCCc1c(Br)[nH]c2ccccc12 Amb21858426 [0,1,0,0,0,0|0,0,0]=1 71 B17R2.5025 CC(=O)NCCc1c(C)[nH]c2c1cccc2 Amb2235016 [0,1,0,0,0,0|0,0,0]=1 72 B17R2.5025 CC(=O)OCC[n+]1c(C)sc2c1cccc2 Amb1832509 [0,1,0,0,0,0|3,0,0]=4 73 B17R2.5025 Cc1[nH]c2c[n]ccc2c1CCCC(O)=O Amb18769231 [0,1,0,0,0,0|3,0,0]=4 74 B17R2.5025 Cc1[nH]c2ccccc2c1CCCC(O)=O Amb18067289 [0,1,0,0,0,0|2,0,0]=3 75 B17R2.5025 Cc1[nH]c2ccccc2c1CCNC(C)C Amb18866825 [0,1,0,0,0,0|1,0,1]=3 76 B17R2.5025 Cc1[nH]c2ccccc2c1CCNC(N)=N Amb25504465 [0,1,0,0,0,0|2,0,0]=3 77 B17R2.5025 Cc1[nH]c2ccccc2c1CNCC(O)=O Amb18244885 [0,1,0,0,0,0|3,0,0]=4 78 B17R2.5025 Cc1[n]c2ccccc2[n]1CCNC(C)=O Amb20748559 [0,1,0,0,0,0|1,0,1]=3 79 B17R2.5025 OC(=O)CCCN1c2ccccc2NC1=O Amb18133474 [0,1,0,0,0,0|3,0,0]=4 80 B17R2.25462 CC(=O)NCCc1c[nH]c2[n]cc(Br)cc12 Amb24076129 [0,1,0,0,0,0|1,0,0]=2 81 B17R2.25462 CC(=O)NCCc1c[nH]c2c1cc(F)cc2 Amb1812973 [0,1,0,0,0,0|0,0,0]=1 82 B17R2.25462 CC(=O)NCCc1c[nH]c2c1cc(N)cc2 Amb17607868 [0,1,0,0,0,0|0,0,0]=1 83 B17R2.25462 CC(=O)N\N=C\c1c[nH]c2c1cc(Br)cc2 Amb2270066 [0,1,0,0,0,0|1,0,1]=3 84 B17R2.25462 CC(C)NCCc1c[nH]c2ccc(Cl)cc12 Amb18899697 [0,1,0,0,0,0|1,0,1]=3 85 B17R2.25462 CC(C)NCCc1c[nH]c2ccc(F)cc12 Amb18245496 [0,1,0,0,0,0|1,0,1]=3 86 B17R2.25462 Cc1cc2c(CCCC(=O)O)c[nH]c2cc1 Amb17063398 [0,1,0,0,0,0|2,0,0]=3 87 B17R2.25462 Cc1ccc2[nH]cc(CCNC(C)C)c2c1 Amb18244451 [0,1,0,0,0,0|1,0,1]=3 88 B17R2.25462 NC(=O)NCCc1c[nH]c2c1cc(F)cc2 Amb1914874 [0,1,0,0,0,0|1,0,0]=2 89 B17R2.25462 OC(=O)CCCc1c[nH]c2c1cc(Cl)cc2 Amb17063405 [0,1,0,0,0,0|2,0,0]=3 90 B17R2.37440 CC(C)NCCc1c[nH]c2c(Cl)cccc12 Amb18246535 [0,1,0,0,0,0|1,0,1]=3 91 B17R2.37440 CC(C)NCCc1c[nH]c2c(F)cccc12 Amb18245511 [0,1,0,0,0,0|1,0,1]=3 92 B17R2.37440 Cc1cccc2c1[nH]cc2CCCC(=O)O Amb17063400 [0,1,0,0,0,0|2,0,0]=3 93 B17R2.37440 Cc1cccc2c1[nH]cc2CCNC(C)C Amb18244477 [0,1,0,0,0,0|1,0,1]=3 94 B17R2.37440 Nc1cccc2c1[nH]cc2CCCC(O)=O Amb18169696 [0,1,0,0,0,0|2,0,0]=3 95 B17R2.37440 OC(=O)CCCc1c[nH]c2c1cccc2Cl Amb17063407 [0,1,0,0,0,0|2,0,0]=3 96 B17R2.37440 OC(=O)CCCc1c[nH]c2c1cccc2F Amb17063403 [0,1,0,0,0,0|2,0,0]=3 97 B17R2.37553 OC(=O)CCCc1c[nH]c2c1c(C)ccc2 Amb17063397 [0,1,0,0,0,0|2,0,0]=3 98 B17R2.37553 OC(=O)CCCc1c[nH]c2c1c(Cl)ccc2 Amb17063404 [0,1,0,0,0,0|2,0,0]=3 99 B17R2.37553 OC(=O)CCCc1c[nH]c2c1c(F)ccc2 Amb17063401 [0,1,0,0,0,0|2,0,0]=3 100 B17R2.78537 CC(=S)N\N=C\c1c[n](C)c2ccccc12 Amb24108046 [0,1,0,0,0,0|1,1,1]=4 101 B17R2.78537 C[n]1cc(CNCC(O)=O)c2ccccc12 Amb18244884 [0,1,0,0,0,0|3,0,0]=4 102 B15R1.84 COc1ccccc1OCCNC(=O)C Amb1089434 [0,0,1,0,0,0|2,0,1]=4 103 B15R1.504 CC(=O)NCCCNCc1ccccc1 Amb18118592 [0,0,1,0,0,0|2,0,1]=4 104 B15R1.504 CC(=O)NCCCOCc1ccccc1 Amb25821607 [0,0,1,0,0,0|2,0,1]=4 105 B15R1.504 CC(=O)NCCONCc1ccccc1 Amb25139554 [0,0,1,0,0,0|3,0,0]=4 106 B17R3.26 BrC1CC(CC1)c2c[nH]c3ccccc32 Amb25850868 [0,0,0,1,0,0|2,0,1]=4 107 B17R3.26 CN1CC(CC1)c2c[nH]c3ccccc23 Amb24085134 [0,0,0,1,0,0|3,0,0]=4 108 B17R3.26 ClC1CC(CC1)c2c[nH]c3ccccc32 Amb24651618 [0,0,0,1,0,0|2,0,1]=4 109 B17R3.26 O=C1CC(CC1)[n]2ccc3ccccc23 Amb24454500 [0,0,0,1,0,0|3,0,0]=4 110 B17R3.26 O=C1CCC(=C1)c2c[nH]c3ccccc32 Amb25029670 [0,0,0,1,0,0|1,0,2]=4 111 B17R3.1964 C(CNC1CC1)c2c[nH]c3ccccc23 Amb18864310 [0,0,0,1,0,0|1,0,1]=3 112 B17R3.64991 OC(=O)C1CC1c2c[nH]c3ccccc23 Amb18864332 [0,0,0,1,0,0|2,0,0]=3 113 B17R3.64991 OC(=O)C1CC1c2c[s]c3ccccc23 Amb24715211 [0,0,0,1,0,0|3,0,0]=4 114 B17R3.64991 OC(=O)C1CC1c2coc3ccccc23 Amb25302868 [0,0,0,1,0,0|3,0,0]=4 115 B17R3.66024 CC(=O)c1[nH]nc2c1[nH]c3c2cccc3 Amb16228785 [0,0,0,1,0,0|3,0,0]=4 116 B17R3.213452 CC1(C)NCCc2c3ccccc3[nH]c12 Amb18810436 [0,0,0,1,0,0|1,0,1]=3 117 B17R3.213452 [13C]1([2H])([2H])NCCc2c1[nH]c3c2cccc3 Amb17620455 [0,0,0,1,0,0|2,0,1]=4 118 B15R2.6 CC(=O)C=Cc1c[nH]c2ccccc12 Amb24062734 [0,0,0,0,1,0|0,0,2]=3 119 B15R2.6 CC(=O)CCC1COc2ccccc21 Amb24667421 [0,0,0,0,1,0|1,0,2]=4 120 B15R2.6 CC(=O)CCN1CCc2c1cccc2 Amb17401320 [0,0,0,0,1,0|2,0,1]=4 121 B15R2.6 CC(=O)CC[n]1[n]cc2ccccc12 Amb19059809 [0,0,0,0,1,0|3,0,0]=4 122 B15R2.6 CC(=O)CCc1[n][nH]c2ccccc12 Amb20247843 [0,0,0,0,1,0|1,0,0]=2 123 B15R2.6 CC(=O)CCc1[n][n][n]2ccccc21 Amb18820232 [0,0,0,0,1,0|2,0,1]=4 124 B15R2.6 CC(=O)CCc1c[nH]c2[n]cccc12 Amb25354133 [0,0,0,0,1,0|1,0,0]=2 125 B15R2.6 CC(=O)CCc1c[nH]c2c[n]ccc12 Amb25072713 [0,0,0,0,1,0|1,0,0]=2 126 B15R2.6 CC(=O)CCc1c[nH]c2cc[n]cc12 Amb24625781 [0,0,0,0,1,0|1,0,0]=2 127 B15R2.6 CC(=O)CCn1nnc2c1cccc2 Amb10560400 [0,0,0,0,1,0|2,0,1]=4 128 B15R2.6 CC(=O)NCC1CCc2ccccc21 Amb24096373 [0,0,0,0,1,0|1,0,2]=4 129 B15R2.6 CC(=O)NCC1CNc2ccccc21 Amb24096384 [0,0,0,0,1,0|0,0,2]=3 130 B15R2.6 CC(=O)NC[n]1c[n]c2ccccc12 Amb24096322 [0,0,0,0,1,0|1,0,1]=3 131 B15R2.6 CC(=O)NCn1nnc2c1cccc2 Amb10560575 [0,0,0,0,1,0|2,0,1]=4 132 B15R2.6 CC(=O)NNC1=NCc2ccccc12 Amb24756797 [0,0,0,0,1,0|3,0,0]=4 133 B15R2.6 CC(=O)OCC1C=Cc2ccccc21 Amb25181434 [0,0,0,0,1,0|2,0,1]=4 134 B15R2.6 CC(=O)OCc1c[nH]c2ccccc21 Amb25087863 [0,0,0,0,1,0|1,0,0]=2 135 B15R2.6 CC(=O)OCc1c[s]c2ccccc21 Amb24105118 [0,0,0,0,1,0|2,0,0]=3 136 B15R2.6 CC(=O)SCc1c[nH]c2ccccc21 Amb24666622 [0,0,0,0,1,0|1,0,0]=2 137 B15R2.6 CC(=O)\C=C\c1c[nH]c2[n]cccc12 Amb24437778 [0,0,0,0,1,0|1,0,2]=4 138 B15R2.6 CC(=O)\C=C\c1c[nH]c2c1cccc2 Amb1818431 [0,0,0,0,1,0|0,0,2]=3 139 B15R2.6 CC(=O)\C=C\c1c[nH]c2c1cccc2 Amb2388998 [0,0,0,0,1,0|0,0,2]=3 140 B15R2.6 CC(=O)\C=C\c1coc2ccccc12 Amb25763383 [0,0,0,0,1,0|1,0,2]=4 141 B15R2.6 CC(Br)CCc1c[nH]c2ccccc12 Amb24606346 [0,0,0,0,1,0|1,0,1]=3 142 B15R2.6 CC(Br)CCc1c[s]c2ccccc12 Amb24643156 [0,0,0,0,1,0|2,0,1]=4 143 B15R2.6 CC(C)=CCc1c[nH]c2ccccc12 Amb17939147 [0,0,0,0,1,0|1,0,1]=3 144 B15R2.6 CC(C)CSc1c[nH]c2ccccc12 Amb24336677 [0,0,0,0,1,0|2,0,1]=4 145 B15R2.6 CC(C)NCc1c[s]c2ccccc21 Amb19649474 [0,0,0,0,1,0|2,0,1]=4 146 B15R2.6 CC(C)NCc1coc2ccccc21 Amb19649833 [0,0,0,0,1,0|2,0,1]=4 147 B15R2.6 CC(CCc1c[nH]c2c1cccc2)N Amb17063475 [0,0,0,0,1,0|1,0,1]=3 148 B15R2.6 CC(Cl)CCc1c[nH]c2[n]cccc12 Amb25303442 [0,0,0,0,1,0|2,0,1]=4 149 B15R2.6 CC(Cl)CCc1c[s]c2ccccc12 Amb25704446 [0,0,0,0,1,0|2,0,1]=4 150 B15R2.6 CC(Cl)CCc1coc2ccccc12 Amb25305562 [0,0,0,0,1,0|2,0,1]=4 151 B15R2.6 CC(N)CCc1coc2ccccc12 Amb25278343 [0,0,0,0,1,0|2,0,1]=4 152 B15R2.6 CC(N)COc1c[nH]c2ccccc12 Amb25347350 [0,0,0,0,1,0|2,0,1]=4 153 B15R2.6 CC(N)CSc1c[nH]c2ccccc12 Amb18655600 [0,0,0,0,1,0|2,0,1]=4 154 B15R2.6 CC(NCc1c[nH]c2c1cccc2)C Amb16497863 [0,0,0,0,1,0|1,0,1]=3 155 B15R2.6 CC(O)CCc1c[nH]c2ccccc12 Amb23443879 [0,0,0,0,1,0|0,0,2]=3 156 B15R2.6 CC(O)CCc1c[s]c2ccccc12 Amb24401820 [0,0,0,0,1,0|1,0,2]=4 157 B15R2.6 CC(O)CCc1coc2ccccc12 Amb25209469 [0,0,0,0,1,0|1,0,2]=4 158 B15R2.6 CC(S)CCc1c[nH]c2ccccc12 Amb25166149 [0,0,0,0,1,0|0,1,1]=3 159 B15R2.6 CN(C)CCc1[n][nH]c2ccccc12 Amb23437019 [0,0,0,0,1,0|3,0,0]=4 160 B15R2.6 CN(C)CCc1c[nH]c2[n]cccc12 Amb25037634 [0,0,0,0,1,0|3,0,0]=4 161 B15R2.6 CN(C)CCc1c[nH]c2cc[n]cc12 Amb25111161 [0,0,0,0,1,0|3,0,0]=4 162 B15R2.6 CN(C)CCc1coc2ccccc12 Amb25099058 [0,0,0,0,1,0|3,0,0]=4 163 B15R2.6 CN(C)NCc1c[nH]c2[n]cccc21 Amb24365081 [0,0,0,0,1,0|3,0,0]=4 164 B15R2.6 CN(C)NCc1c[nH]c2ccccc21 Amb25096911 [0,0,0,0,1,0|2,0,0]=3 165 B15R2.6 CN(C)NCc1c[s]c2ccccc21 Amb24336938 [0,0,0,0,1,0|3,0,0]=4 166 B15R2.6 CN(C)NCc1coc2ccccc21 Amb25049860 [0,0,0,0,1,0|3,0,0]=4 167 B15R2.6 CN(C)OCc1c[nH]c2ccccc21 Amb25123330 [0,0,0,0,1,0|3,0,0]=4 168 B15R2.6 CN(N)CCc1c[nH]c2ccccc12 Amb25238950 [0,0,0,0,1,0|2,0,0]=3 169 B15R2.6 CS(=O)CC[n]1ccc2ccccc12 Amb24538876 [0,0,0,0,1,0|3,0,0]=4 170 B15R2.6 NC(=N)CCc1c[nH]c2ccccc12 Amb25314729 [0,0,0,0,1,0|2,0,0]=3 171 B15R2.6 NC(=N)NCc1c[nH]c2[n]cccc21 Amb25268476 [0,0,0,0,1,0|3,0,0]=4 172 B15R2.6 NC(=N)NCc1c[nH]c2ccccc21 Amb25784756 [0,0,0,0,1,0|2,0,0]=3 173 B15R2.6 NC(=N)NCc1coc2ccccc21 Amb24671452 [0,0,0,0,1,0|3,0,0]=4 174 B15R2.6 NC(=N)NCc1csc2c1cccc2 Amb15764684 [0,0,0,0,1,0|3,0,0]=4 175 B15R2.6 NC(=O)CCc1[n][s]c2ccccc12 Amb24530646 [0,0,0,0,1,0|3,0,0]=4 176 B15R2.6 NC(=O)CCc1c[n]c2cccc[n]12 Amb24097765 [0,0,0,0,1,0|2,0,1]=4 177 B15R2.6 NC(=O)CCc1c[s]c2ccccc12 Amb25035755 [0,0,0,0,1,0|2,0,0]=3 178 B15R2.6 NC(=O)CCn1ccc2c1cccc2 Amb1902855 [0,0,0,0,1,0|3,0,0]=4 179 B15R2.6 NC(=O)CCn1cnc2c1cccc2 Amb1065271 [0,0,0,0,1,0|2,0,1]=4 180 B15R2.6 NC(=O)CSc1coc2ccccc12 Amb25309612 [0,0,0,0,1,0|3,0,0]=4 181 B15R2.6 NC(=O)NCc1c[nH]c2ccccc21 Amb22482960 [0,0,0,0,1,0|1,0,0]=2 182 B15R2.6 NC(=O)N\N=C/1\C=Cc2ccccc21 Amb24710314 [0,0,0,0,1,0|3,0,0]=4 183 B15R2.6 NC(=S)CCc1c[nH]c2ccccc12 Amb24645631 [0,0,0,0,1,0|1,1,0]=3 184 B15R2.6 O=C(Cl)CCc1c[nH]c2ccccc12 Amb25733134 [0,0,0,0,1,0|1,0,0]=2 185 B15R2.6 O=C(Cl)CCc1c[s]c2ccccc12 Amb25086054 [0,0,0,0,1,0|2,0,0]=3 186 B15R2.6 OC(=O)C#Cc1c[nH]c2ccccc12 Amb22713524 [0,0,0,0,1,0|1,0,2]=4 187 B15R2.6 OC(=O)CCC1=CCc2ccccc21 Amb24498312 [0,0,0,0,1,0|2,0,0]=3 188 B15R2.6 OC(=O)CCC1CNc2ccccc21 Amb18560673 [0,0,0,0,1,0|1,0,2]=4 189 B15R2.6 OC(=O)CC[n]1c[nH+]c2ccccc12 Amb19846248 [0,0,0,0,1,0|2,0,1]=4 190 B15R2.6 OC(=O)CC[n]1c[n]c2ccccc12 Amb22492319 [0,0,0,0,1,0|2,0,1]=4 191 B15R2.6 OC(=O)CCc1[nH][n]c2ccccc12 Amb24604505 [0,0,0,0,1,0|2,0,1]=4 192 B15R2.6 OC(=O)CCc1[n][nH]c2[n]cccc12 Amb25747490 [0,0,0,0,1,0|3,0,0]=4 193 B15R2.6 OC(=O)CCc1[n]oc2ccccc12 Amb18818911 [0,0,0,0,1,0|3,0,0]=4 194 B15R2.6 OC(=O)CCc1c[nH]c2c1cccc2 Amb1680030 [0,0,0,0,1,0|1,0,0]=2 195 B15R2.6 OC(=O)CCc1c[nH]c2c1cccn2 Amb13885267 [0,0,0,0,1,0|2,0,0]=3 196 B15R2.6 OC(=O)CCc1c[n][n]2ccccc21 Amb25806764 [0,0,0,0,1,0|2,0,1]=4 197 B15R2.6 OC(=O)CCc1c[s]c2ccccc12 Amb18995289 [0,0,0,0,1,0|2,0,0]=3 198 B15R2.6 OC(=O)CCc1cnc2n1cccc2 Amb17127695 [0,0,0,0,1,0|2,0,1]=4 199 B15R2.6 OC(=O)CCc1coc2ccccc12 Amb18650405 [0,0,0,0,1,0|2,0,0]=3 200 B15R2.6 OC(=O)CCc1o[n]c2ccccc12 Amb18818950 [0,0,0,0,1,0|2,0,1]=4 201 B15R2.6 OC(=O)CCn1ccc2c1cccc2 Amb1215762 [0,0,0,0,1,0|3,0,0]=4 202 B15R2.6 OC(=O)CCn1cnc2c1cccc2 Amb1099400 [0,0,0,0,1,0|2,0,1]=4 203 B15R2.6 OC(=O)CCn1cnc2c1cccc2 Amb1292760 [0,0,0,0,1,0|2,0,1]=4 204 B15R2.6 OC(=O)CNc1c[nH]c2c1cccn2 Amb13885112 [0,0,0,0,1,0|3,0,0]=4 205 B15R2.6 OC(=O)CSc1c[nH]c2c1cccc2 Amb1030900 [0,0,0,0,1,0|2,0,0]=3 206 B15R2.6 OC(=O)CSc1coc2ccccc12 Amb25743001 [0,0,0,0,1,0|3,0,0]=4 207 B15R2.6 OC(=O)SCc1c[nH]c2ccccc21 Amb25238918 [0,0,0,0,1,0|2,0,0]=3 208 B15R2.6 OC(=O)\C=C/c1c[nH]c2c1cccc2 Amb10845369 [0,0,0,0,1,0|1,0,2]=4 209 B15R2.6 OC(=S)CCc1c[nH]c2ccccc12 Amb22734547 [0,0,0,0,1,0|1,0,1]=3 210 B15R2.6 [O-]C(=O)CCc1c[nH]c2ccccc12 Amb21928575 [0,0,0,0,1,0|1,0,0]=2 211 B15R2.6 [O-]C(=O)\C=C\c1c[nH]c2c1cccc2 Amb10789305 [0,0,0,0,1,0|1,0,2]=4 212 B15R2.6 [O-]C(=O)\C=C\c1c[nH]c2ccccc12 Amb24113884 [0,0,0,0,1,0|1,0,2]=4 213 B15R2.6 [O-][N+](=O)CCc1c[nH]c2[n]cccc12 Amb24541364 [0,0,0,0,1,0|3,0,0]=4 214 B17R2.137 CC(=O)CC\C=C\c1c[nH]c2ccccc21 Amb18225153 [0,0,0,0,0,1|1,0,1]=3 215 B17R2.137 CC(=O)NCCCc1[n][n]c2cccc[n]12 Amb23485129 [0,0,0,0,0,1|2,0,1]=4 216 B17R2.137 CC(=O)NCCCc1ncc2n1cccc2 Amb16767386 [0,0,0,0,0,1|3,0,0]=4 217 B17R2.137 CC(=O)NCCCn1cnc2c1cccc2 Amb11244505 [0,0,0,0,0,1|1,0,1]=3 218 B17R2.137 CC(C)NCCCc1c[nH]c2ccccc12 Amb18244444 [0,0,0,0,0,1|1,0,1]=3 219 B17R2.137 NC(=O)CCSCc1c[nH]c2c1cccc2 Amb1918259 [0,0,0,0,0,1|2,0,0]=3 220 B17R2.137 OC(=O)CCNCc1c[s]c2ccccc12 Amb24778724 [0,0,0,0,0,1|3,0,0]=4 221 B17R2.137 OC(=O)CCSCc1c[nH]c2c1cccc2 Amb1903971 [0,0,0,0,0,1|2,0,0]=3 222 B17R2.5669 CC(=O)NCCc1cc2ccccc2cc1 Amb21962168 [0,0,0,0,0,1|1,0,0]=2 223 B17R2.291558 NC(=N)NCCc1cccc2ccccc12 Amb24187161 [0,0,0,0,0,1|3,0,0]=4 224 B14R1.159 CC(=O)NCCNc1ccccc1Br Amb25717140 [1,0,1,0,0,0|2,0,0]=4 225 B14R1.159 CC(=O)NCCNc1ccccc1Cl Amb18270051 [1,0,1,0,0,0|2,0,0]=4 226 B14R1.159 CC(=O)NCCNc1ccccc1F Amb18933376 [1,0,1,0,0,0|2,0,0]=4 227 B14R1.159 CC(=O)NCCNc1ccccc1I Amb24371473 [1,0,1,0,0,0|2,0,0]=4 228 B14R1.159 CC(=O)NCCOc1ccccc1N Amb17131704 [1,0,1,0,0,0|1,0,0]=3 229 B14R1.159 Cc1ccccc1OCCNC(C)=O Amb23166893 [1,0,1,0,0,0|1,0,1]=4 230 B14R1.159 Nc1ccccc1NCCNC(N)=O Amb24689609 [1,0,1,0,0,0|2,0,0]=4 231 B14R1.420 CC(=O)NCNC(=O)c1ccccc1 Amb24336454 [1,0,1,0,0,0|2,0,0]=4 232 B14R1.420 C\C(=C\CNC(C)=O)\c1ccccc1 Amb25315136 [1,0,1,0,0,0|0,0,2]=4 233 B14R2.3 BrCCCc1c[nH]c2ccccc12 Amb17673976 [2,0,0,0,0,0|1,0,1]=4 234 B14R2.3 BrNCCc1c[nH]c2ccccc12 Amb24664831 [2,0,0,0,0,0|1,0,0]=3 235 B14R2.3 C=CCCc1c[nH]c2ccccc12 Amb24738552 [2,0,0,0,0,0|0,0,1]=3 236 B14R2.3 C=CCCc1c[s]c2ccccc12 Amb25363805 [2,0,0,0,0,0|1,0,1]=4 237 B14R2.3 CCCNc1c[nH]c2ccccc12 Amb25727240 [2,0,0,0,0,0|1,0,1]=4 238 B14R2.3 CCNCc1c[nH]c2[n]cccc21 Amb24443638 [2,0,0,0,0,0|1,0,1]=4 239 B14R2.3 CCNCc1c[nH]c2ccccc21 Amb18987824 [2,0,0,0,0,0|0,0,1]=3 240 B14R2.3 CCNCc1c[s]c2ccccc21 Amb18994544 [2,0,0,0,0,0|1,0,1]=4 241 B14R2.3 CCNCc1coc2ccccc21 Amb19649832 [2,0,0,0,0,0|1,0,1]=4 242 B14R2.3 CCSCc1c[nH]c2ccccc12 Amb17940503 [2,0,0,0,0,0|1,0,1]=4 243 B14R2.3 CNCCC1CNc2ccccc21 Amb18647991 [2,0,0,0,0,0|0,0,2]=4 244 B14R2.3 CNCCc1[n][nH]c2ccccc12 Amb23437018 [2,0,0,0,0,0|1,0,0]=3 245 B14R2.3 CNCCc1[n]oc2ccccc12 Amb25790496 [2,0,0,0,0,0|2,0,0]=4 246 B14R2.3 CNCCc1c[s]c2ccccc12 Amb18129924 [2,0,0,0,0,0|1,0,0]=3 247 B14R2.3 CNCCc1c[s]c2ccccc12 Amb24069944 [2,0,0,0,0,0|1,0,0]=3 248 B14R2.3 CNCCc1coc2ccccc12 Amb24756441 [2,0,0,0,0,0|1,0,0]=3 249 B14R2.3 CNCCn1ccc2c1cccc2 Amb1792778 [2,0,0,0,0,0|2,0,0]=4 250 B14R2.3 CNNCc1c[nH]c2ccccc21 Amb25178646 [2,0,0,0,0,0|1,0,0]=3 251 B14R2.3 COCCc1c[nH]c2ccccc12 Amb24488917 [2,0,0,0,0,0|1,0,0]=3 252 B14R2.3 COCSc1c[nH]c2ccccc12 Amb24754072 [2,0,0,0,0,0|2,0,0]=4 253 B14R2.3 CONCc1c[nH]c2[n]cccc21 Amb24649323 [2,0,0,0,0,0|2,0,0]=4 254 B14R2.3 CONCc1c[nH]c2ccccc21 Amb25210331 [2,0,0,0,0,0|1,0,0]=3 255 B14R2.3 CONCc1coc2ccccc12 Amb25116787 [2,0,0,0,0,0|2,0,0]=4 256 B14R2.3 C\C=C\Cc1c[nH]c2ccccc21 Amb24382136 [2,0,0,0,0,0|0,0,1]=3 257 B14R2.3 ClCCCc1c[nH]c2ccccc21 Amb24426278 [2,0,0,0,0,0|1,0,1]=4 258 B14R2.3 N#CCCc1c[nH]c2c1cccc2 Amb1814192 [2,0,0,0,0,0|1,0,1]=4 259 B14R2.3 NCCCc1c[nH]c2c1cccc2 Amb2235168 [2,0,0,0,0,0|1,0,1]=4 260 B14R2.3 NNCCc1c[nH]c2c1cccc2 Amb10844959 [2,0,0,0,0,0|1,0,0]=3 261 B14R2.3 NNCCc1c[nH]c2ccccc12 Amb24060798 [2,0,0,0,0,0|1,0,0]=3 262 B14R2.3 NNCCc1c[s]c2ccccc12 Amb25157543 [2,0,0,0,0,0|2,0,0]=4 263 B14R2.3 O=C=NCc1c[nH]c2ccccc21 Amb18065488 [2,0,0,0,0,0|0,0,2]=4 264 B14R2.3 O=CCC[n]1c[n]c2ccccc12 Amb18178104 [2,0,0,0,0,0|1,0,1]=4 265 B14R2.3 O=CCCn1ccc2c1cccc2 Amb17074399 [2,0,0,0,0,0|2,0,0]=4 266 B14R2.3 O=CNC[n]1c[n]c2ccccc12 Amb24096323 [2,0,0,0,0,0|1,0,1]=4 267 B14R2.3 O=C\C=C\c1c[nH]c2ccccc21 Amb18126777 [2,0,0,0,0,0|0,0,2]=4 268 B14R2.3 [C-]#[N+]CCc1c[nH]c2c1cccc2 Amb10844950 [2,0,0,0,0,0|0,0,2]=4 269 B16R1.12322 CC(=O)NCCNc1ccccc1N(C)C Amb18270437 [0,1,1,0,0,0|1,0,1]=4 270 B16R1.610 CC(=O)OCCOC(=O)Nc1ccccc1 Amb24065200 [0,1,1,0,0,0|2,0,0]=4 271 B16R1.610 O=C(Nc1cccnc1)NCCNC(=O)C Amb11256739 [0,1,1,0,0,0|2,0,0]=4 272 B16R2.5 CNCC(Cc1c[nH]c2c1cccc2)N Amb16210609 [1,1,0,0,0,0|2,0,0]=4 273 B16R2.5 CONC(=O)Cc1c[nH]c2c1cccc2 Amb16072964 [1,1,0,0,0,0|1,0,1]=4 274 B16R2.6 CCNCCCc1c[nH]c2ccccc12 Amb18654067 [1,1,0,0,0,0|0,0,1]=3 275 B16R2.6 N#CCNCCc1c[nH]c2c1cccc2 Amb17402299 [1,1,0,0,0,0|0,0,2]=4 276 B16R2.6 NCCNCCc1c[nH]c2c1cccc2 Amb17091037 [1,1,0,0,0,0|0,0,1]=3 277 B16R2.6 O=C=NCCCc1c[nH]c2ccccc12 Amb18566209 [1,1,0,0,0,0|0,0,2]=4 278 B16R2.6 OCCNCCc1c[nH]c2c1cccc2 Amb17338141 [1,1,0,0,0,0|0,0,1]=3 279 B16R2.14 CCC(=O)CCc1c[nH]c2ccccc12 Amb18864389 [1,1,0,0,0,0|1,0,1]=4 280 B16R2.14 CCC(N)CCc1c[nH]c2ccccc12 Amb18864696 [1,1,0,0,0,0|1,0,1]=4 281 B16R2.14 CNC(C)CCc1c[nH]c2ccccc12 Amb23443880 [1,1,0,0,0,0|2,0,0]=4 282 B16R2.14 COC(=O)CCc1c[nH]c2c1cccc2 Amb1969740 [1,1,0,0,0,0|2,0,0]=4 283 B16R2.37 CCNCC(=O)c1c[nH]c2ccccc12 Amb18566519 [1,1,0,0,0,0|0,0,2]=4 284 B16R2.37 CCNCC(O)c1c[nH]c2ccccc12 Amb18567047 [1,1,0,0,0,0|0,0,1]=3 285 B16R2.37 CNCCC(O)c1c[nH]c2ccccc12 Amb18567054 [1,1,0,0,0,0|2,0,0]=4 286 B16R2.149 CCNCCc1c[nH]c2c(Br)cccc12 Amb18906173 [1,1,0,0,0,0|0,0,1]=3 287 B16R2.149 CCNCCc1c[nH]c2c(Cl)cccc12 Amb18244995 [1,1,0,0,0,0|0,0,1]=3 288 B16R2.149 CCNCCc1c[nH]c2c(F)cccc12 Amb18895562 [1,1,0,0,0,0|0,0,1]=3 289 B16R2.149 CNCCCc1c[nH]c2c1cccc2Br Amb18906172 [1,1,0,0,0,0|2,0,0]=4 290 B16R2.6329 CCNCCc1cn(c2c1cccc2)C Amb17193964 [1,1,0,0,0,0|0,0,1]=3 291 B16R2.6329 C[n]1cc(CCCC=O)c2ccccc12 Amb18864391 [1,1,0,0,0,0|1,0,0]=3 292 B16R2.6329 C[n]1cc(CCCNC)c2ccccc12 Amb18566602 [1,1,0,0,0,0|2,0,0]=4 293 B16R2.6329 C[n]1cc(CCN=C=O)c2ccccc12 Amb18566210 [1,1,0,0,0,0|0,0,2]=4 294 B16R2.6335 Cc1[nH]c2ccccc2c1CCCC=O Amb18864393 [1,1,0,0,0,0|1,0,0]=3 295 B16R2.6335 Cc1[nH]c2ccccc2c1CCCNC Amb18566608 [1,1,0,0,0,0|2,0,0]=4 296 B16R2.6335 Cc1[nH]c2ccccc2c1CCN=C=O Amb18566211 [1,1,0,0,0,0|0,0,2]=4 297 B16R2.6335 Cc1[nH]c2ccccc2c1CCNCC Amb18894847 [1,1,0,0,0,0|0,0,1]=3 298 B16R2.27887 CCNCCc1c[nH]c2cc(Cl)ccc12 Amb18245023 [1,1,0,0,0,0|0,0,1]=3 299 B16R2.27887 CCNCCc1c[nH]c2cc(F)ccc12 Amb18895571 [1,1,0,0,0,0|0,0,1]=3 300 B16R2.27887 CNCCCc1c[nH]c2cc(F)ccc12 Amb18895570 [1,1,0,0,0,0|2,0,0]=4 301 B16R2.27887 Cc1cc2[nH]cc(CCNCC)c2cc1 Amb18894894 [1,1,0,0,0,0|0,0,1]=3 302 B16R2.205493 CCNCCc1c[nH]c2ccc(Br)cc12 Amb18906164 [1,1,0,0,0,0|0,0,1]=3 303 B16R2.205493 CCNCCc1c[nH]c2ccc(Cl)cc12 Amb18244959 [1,1,0,0,0,0|0,0,1]=3 304 B16R2.205493 CCNCCc1c[nH]c2ccc(F)cc12 Amb18895554 [1,1,0,0,0,0|0,0,1]=3 305 B16R2.205493 Cc1ccc2[nH]cc(CCNCC)c2c1 Amb18894855 [1,1,0,0,0,0|0,0,1]=3 306 B16R2.12 CC(=O)C(C)Cc1c[nH]c2ccccc21 Amb18864388 [0,1,0,0,1,0|0,0,0]=2 307 B16R2.12 CC(=O)N(C)Cc1c[nH]c2ccccc21 Amb20248510 [0,1,0,0,1,0|0,0,0]=2 308 B16R2.12 CC(C(=O)O)Cc1c[nH]c2c1cccn2 Amb10844297 [0,1,0,0,1,0|2,0,0]=4 309 B16R2.12 CC(Cc1c[nH]c2ccccc21)C([O-])=O Amb23567003 [0,1,0,0,1,0|1,0,0]=3 310 B16R2.12 CC(Cc1c[nH]c2ccccc21)N(C)C Amb22284801 [0,1,0,0,1,0|2,0,0]=4 311 B16R2.12 CC(Cc1c[s]c2ccccc21)C(O)=O Amb25198396 [0,1,0,0,1,0|2,0,0]=4 312 B16R2.12 C\C(=C/c1c[nH]c2ccccc21)\C(C)=O Amb25354321 [0,1,0,0,1,0|0,0,2]=4 313 B16R2.12 NC(=O)C(Cc1c[nH]c2c1cccc2)N Amb16187072 [0,1,0,0,1,0|1,0,0]=3 314 B16R2.12 NC(=O)C(N)Cc1c[nH]c2ccccc21 Amb19893176 [0,1,0,0,1,0|1,0,0]=3 315 B16R2.12 NC(=O)[C@@H](N)Cc1c[nH]c2ccccc21 Amb22432475 [0,1,0,0,1,0|1,0,0]=3 316 B16R2.12 NC(=O)[C@H](Cc1c[nH]c2c1cccc2)N Amb16183884 [0,1,0,0,1,0|1,0,0]=3 317 B16R2.12 NC(=O)[C@H](N)Cc1c[nH]c2ccccc21 Amb24087712 [0,1,0,0,1,0|1,0,0]=3 318 B16R2.12 NC(C(=O)O)Cc1c[nH]c2c1cccn2 Amb10071215 [0,1,0,0,1,0|2,0,0]=4 319 B16R2.12 NC(C(=O)O)Cc1c[nH]c2c1cccn2 Amb19134646 [0,1,0,0,1,0|2,0,0]=4 320 B16R2.12 NC(Cc1c[s]c2ccccc21)C(O)=O Amb22448343 [0,1,0,0,1,0|2,0,0]=4 321 B16R2.12 NC(Cc1coc2ccccc21)C(O)=O Amb18783358 [0,1,0,0,1,0|2,0,0]=4 322 B16R2.12 N[13CH](Cc1c[nH]c2ccccc21)C(O)=O Amb22367362 [0,1,0,0,1,0|1,0,0]=3 323 B16R2.12 N[C@@H](C(=O)O)Cc1c[nH]c2c1cccn2 Amb13884989 [0,1,0,0,1,0|2,0,0]=4 324 B16R2.12 N[C@@H](Cc1c[nH]c2[n]cccc21)C(O)=O Amb19929655 [0,1,0,0,1,0|2,0,0]=4 325 B16R2.12 N[C@@H](Cc1c[nH]c2ccccc21)[13C](O)=O Amb22339014 [0,1,0,0,1,0|1,0,0]=3 326 B16R2.12 N[C@@H](Cc1coc2ccccc21)C(O)=O Amb22745453 [0,1,0,0,1,0|2,0,0]=4 327 B16R2.12 OC(=O)C(F)Cc1c[s]c2ccccc21 Amb25200730 [0,1,0,0,1,0|2,0,0]=4 328 B16R2.12 OC(=O)C(S)Cc1c[nH]c2ccccc21 Amb24085128 [0,1,0,0,1,0|1,0,0]=3 329 B16R2.12 OC(=O)[13CH]([13CH2]c1c[nH]c2c1cccc2)[15NH2] Amb17621155 [0,1,0,0,1,0|1,0,0]=3 330 B16R2.12 OC(=O)[C@@H](O)Cc1c[nH]c2ccccc21 Amb20242859 [0,1,0,0,1,0|1,0,0]=3 331 B16R2.12 OC(=O)[C@H](Cc1csc2c1cccc2)N Amb10068196 [0,1,0,0,1,0|2,0,0]=4 332 B16R2.12 [15NH2][13C@@H]([13CH2][13c]1[13cH][15nH][13c]2[13cH][13cH][13cH][13cH][13c]21)[13C](O)=O Amb22362660 [0,1,0,0,1,0|1,0,0]=3 333 B16R2.12 [15NH2][C@@H](Cc1c[15nH]c2ccccc21)C(O)=O Amb22353568 [0,1,0,0,1,0|1,0,0]=3 334 B16R2.12 [15NH2][C@@H](Cc1c[nH]c2ccccc21)C(O)=O Amb22338973 [0,1,0,0,1,0|1,0,0]=3 335 B16R2.520 CC(=O)CC(=O)c1c[nH]c2c1cccc2 Amb1795330 [0,1,0,0,1,0|0,0,1]=3 336 B16R2.520 CC(=O)CC(C)[n]1ccc2ccccc12 Amb24591451 [0,1,0,0,1,0|2,0,0]=4 337 B16R2.520 CC(=O)CC(c1c[nH]c2c1cccc2)C Amb17063433 [0,1,0,0,1,0|0,0,0]=2 338 B16R2.520 CC(C)CC(N)c1c[nH]c2ccccc12 Amb18894852 [0,1,0,0,1,0|1,0,1]=4 339 B16R2.520 CC(CC(C)Cl)c1c[nH]c2ccccc21 Amb25161489 [0,1,0,0,1,0|1,0,1]=4 340 B16R2.520 CC(NC(c1c[nH]c2c1cccc2)C)C Amb17595389 [0,1,0,0,1,0|1,0,1]=4 341 B16R2.520 CN(C)CC(N)c1c[nH]c2ccccc12 Amb18566760 [0,1,0,0,1,0|2,0,0]=4 342 B16R2.520 NC(=O)CC(N)c1c[s]c2ccccc12 Amb18995287 [0,1,0,0,1,0|2,0,0]=4 343 B16R2.520 NC(=O)CC(N)c1coc2ccccc12 Amb25049610 [0,1,0,0,1,0|2,0,0]=4 344 B16R2.520 NC(=O)C[C@@H](N)c1coc2ccccc12 Amb24413522 [0,1,0,0,1,0|2,0,0]=4 345 B16R2.520 NC(CC(O)=O)c1c[s]c2ccccc12 Amb18995286 [0,1,0,0,1,0|2,0,0]=4 346 B16R2.520 N[C@@H](CC(O)=O)c1c[nH]c2ccccc12 Amb22388643 [0,1,0,0,1,0|1,0,0]=3 347 B16R2.520 N[C@H](CC(O)=O)c1c[nH]c2ccccc12 Amb24056151 [0,1,0,0,1,0|1,0,0]=3 348 B16R2.520 OC(=O)CC(O)c1c[nH]c2ccccc12 Amb18783387 [0,1,0,0,1,0|1,0,0]=3 349 B16R2.2947 CC(C)(N)CCc1c[nH]c2ccccc12 Amb18864697 [0,1,0,0,1,0|1,0,1]=4 350 B16R2.2947 CC(C)(O)CCc1c[nH]c2ccccc12 Amb18864863 [0,1,0,0,1,0|0,0,2]=4 351 B16R2.2947 CC(NCc1c[nH]c2c1cccc2)(C)C Amb1902867 [0,1,0,0,1,0|1,0,1]=4 352 B16R2.2947 O=S(=O)(Cl)CCc1c[nH]c2ccccc12 Amb18229563 [0,1,0,0,1,0|2,0,0]=4 353 B16R2.2976 CC(=O)CCc1c[nH]c2[n]c(Cl)ccc12 Amb24087790 [0,1,0,0,1,0|1,0,0]=3 354 B16R2.2976 CC(=O)CCc1c[nH]c2c1ccc(c2)Br Amb17063427 [0,1,0,0,1,0|0,0,0]=2 355 B16R2.2976 CC(=O)CCc1c[nH]c2c1ccc(c2)C Amb17063416 [0,1,0,0,1,0|0,0,0]=2 356 B16R2.2976 CC(=O)CCc1c[nH]c2c1ccc(c2)Cl Amb17063424 [0,1,0,0,1,0|0,0,0]=2 357 B16R2.2976 CC(=O)CCc1c[nH]c2c1ccc(c2)F Amb17063420 [0,1,0,0,1,0|0,0,0]=2 358 B16R2.2976 CC(CCc1c[nH]c2c1ccc(c2)Br)N Amb17063490 [0,1,0,0,1,0|1,0,1]=4 359 B16R2.2976 CC(CCc1c[nH]c2c1ccc(c2)C)N Amb17063478 [0,1,0,0,1,0|1,0,1]=4 360 B16R2.2976 CC(CCc1c[nH]c2c1ccc(c2)Cl)N Amb17063486 [0,1,0,0,1,0|1,0,1]=4 361 B16R2.2976 CC(CCc1c[nH]c2c1ccc(c2)F)N Amb17063482 [0,1,0,0,1,0|1,0,1]=4 362 B16R2.2976 Cc1cc2cc[n](CCC(C)=O)c2cc1 Amb25345269 [0,1,0,0,1,0|2,0,0]=4 363 B16R2.2976 OC(=O)CCc1c[nH]c2c1ccc(c2)Br Amb17063358 [0,1,0,0,1,0|1,0,0]=3 364 B16R2.2976 OC(=O)CCc1c[nH]c2c1ccc(c2)C Amb17063347 [0,1,0,0,1,0|1,0,0]=3 365 B16R2.2976 OC(=O)CCc1c[nH]c2c1ccc(c2)Cl Amb17063355 [0,1,0,0,1,0|1,0,0]=3 366 B16R2.2976 OC(=O)CCc1c[nH]c2c1ccc(c2)F Amb17063351 [0,1,0,0,1,0|1,0,0]=3 367 B16R2.4003 CC(=O)/C=C/c1c(C)[nH]c2ccccc12 Amb17882762 [0,1,0,0,1,0|0,0,2]=4 368 B16R2.4003 CC(=O)CCc1c(I)[nH]c2ccccc12 Amb24082400 [0,1,0,0,1,0|0,0,0]=2 369 B16R2.4003 CC(=O)N\C=C/1\c2ccccc2NC1=O Amb24073002 [0,1,0,0,1,0|0,0,1]=3 370 B16R2.4003 CC(=O)N\N=C\1/C(=O)Nc2c1cccc2 Amb2502595 [0,1,0,0,1,0|1,0,0]=3 371 B16R2.4003 CC(=O)N\N=C\1/C(O)=Nc2ccccc21 Amb22369572 [0,1,0,0,1,0|1,0,1]=4 372 B16R2.4003 CC(NCc1c(C)[nH]c2c1cccc2)C Amb16187144 [0,1,0,0,1,0|1,0,1]=4 373 B16R2.4003 Cc1[nH]c2ccccc2c1CCC(C)=O Amb18864392 [0,1,0,0,1,0|0,0,0]=2 374 B16R2.4003 Cc1[nH]c2ccccc2c1CCC(C)N Amb18786415 [0,1,0,0,1,0|1,0,1]=4 375 B16R2.4003 Cc1[nH]c2ccccc2c1CNC(C)C Amb21959866 [0,1,0,0,1,0|1,0,1]=4 376 B16R2.4003 Cc1c(CCC(=O)O)c2c([nH]1)nccc2 Amb13885074 [0,1,0,0,1,0|2,0,0]=4 377 B16R2.4003 Cc1oc2ccccc2c1CCC(O)=O Amb25140532 [0,1,0,0,1,0|2,0,0]=4 378 B16R2.4003 NC(=O)CCc1c(C)[nH]c2c1cccc2 Amb1804517 [0,1,0,0,1,0|1,0,0]=3 379 B16R2.4003 NC(=O)N\N=C/1\C(=O)Nc2c1cccc2 Amb1150382 [0,1,0,0,1,0|2,0,0]=4 380 B16R2.4003 NC(=O)N\N=C\1/C(=O)Nc2c1cccc2 Amb1789029 [0,1,0,0,1,0|2,0,0]=4 381 B16R2.4003 NC(=O)N\N=C\1/c2ccccc2NC1=O Amb19189869 [0,1,0,0,1,0|2,0,0]=4 382 B16R2.4003 OC(=O)CCN1c2ccccc2NC1=O Amb18540823 [0,1,0,0,1,0|2,0,0]=4 383 B16R2.4003 OC(=O)CCc1c(C)[nH]c2c1cccc2 Amb1797059 [0,1,0,0,1,0|1,0,0]=3 384 B16R2.15551 CC(=O)CC[n]1ccc2ccc(Br)cc12 Amb24455983 [0,1,0,0,1,0|2,0,0]=4 385 B16R2.15551 CC(=O)CC[n]1ccc2ccc(Cl)cc12 Amb24508086 [0,1,0,0,1,0|2,0,0]=4 386 B16R2.15551 CC(=O)CCc1c[nH]c2c1cc(C)cc2 Amb17063415 [0,1,0,0,1,0|0,0,0]=2 387 B16R2.15551 CC(=O)CCc1c[nH]c2c1cc(Cl)cc2 Amb17063423 [0,1,0,0,1,0|0,0,0]=2 388 B16R2.15551 CC(=O)CCc1c[nH]c2c1cc(F)cc2 Amb17063419 [0,1,0,0,1,0|0,0,0]=2 389 B16R2.15551 CC(=O)OCc1c[s]c2ccc(Cl)cc21 Amb24105119 [0,1,0,0,1,0|2,0,0]=4 390 B16R2.15551 CC(CCc1c[nH]c2c1cc(Br)cc2)N Amb17063489 [0,1,0,0,1,0|1,0,1]=4 391 B16R2.15551 CC(CCc1c[nH]c2c1cc(C)cc2)N Amb17063477 [0,1,0,0,1,0|1,0,1]=4 392 B16R2.15551 CC(CCc1c[nH]c2c1cc(Cl)cc2)N Amb17063485 [0,1,0,0,1,0|1,0,1]=4 393 B16R2.15551 CC(CCc1c[nH]c2c1cc(F)cc2)N Amb17063481 [0,1,0,0,1,0|1,0,1]=4 394 B16R2.15551 CN(C)CCc1c[nH]c2ccc(O)cc12 Amb22733859 [0,1,0,0,1,0|2,0,0]=4 395 B16R2.15551 Cc1cc2c(CCC(=O)O)c[nH]c2cc1 Amb17063346 [0,1,0,0,1,0|1,0,0]=3 396 B16R2.15551 Cc1cc2c(COC(C)=O)c[s]c2cc1 Amb24105121 [0,1,0,0,1,0|2,0,0]=4 397 B16R2.15551 Cc1cc2c(cc[n]2CCC(C)=O)cc1 Amb25742665 [0,1,0,0,1,0|2,0,0]=4 398 B16R2.15551 OC(=O)CCc1c[nH]c2c1cc(Cl)cc2 Amb17063354 [0,1,0,0,1,0|1,0,0]=3 399 B16R2.15551 OC(=O)CCc1c[nH]c2c1cc(F)cc2 Amb17063350 [0,1,0,0,1,0|1,0,0]=3 400 B16R2.22833 CC(=O)CCc1c[nH]c2c1cccc2Br Amb17063428 [0,1,0,0,1,0|0,0,0]=2 401 B16R2.22833 CC(=O)CCc1c[nH]c2c1cccc2C Amb17063417 [0,1,0,0,1,0|0,0,0]=2 402 B16R2.22833 CC(=O)CCc1c[nH]c2c1cccc2Cl Amb17063425 [0,1,0,0,1,0|0,0,0]=2 403 B16R2.22833 CC(=O)CCc1c[nH]c2c1cccc2F Amb17063421 [0,1,0,0,1,0|0,0,0]=2 404 B16R2.22833 CC(CCc1c[nH]c2c1cccc2Br)N Amb17063491 [0,1,0,0,1,0|1,0,1]=4 405 B16R2.22833 CC(CCc1c[nH]c2c1cccc2C)N Amb17063479 [0,1,0,0,1,0|1,0,1]=4 406 B16R2.22833 CC(CCc1c[nH]c2c1cccc2Cl)N Amb17063487 [0,1,0,0,1,0|1,0,1]=4 407 B16R2.22833 CC(CCc1c[nH]c2c1cccc2F)N Amb17063483 [0,1,0,0,1,0|1,0,1]=4 408 B16R2.22833 Cc1cccc2c1[nH]cc2CCC(=O)O Amb17063348 [0,1,0,0,1,0|1,0,0]=3 409 B16R2.22833 Cc1cccc2c1[nH]cc2CNC(C)=O Amb24083724 [0,1,0,0,1,0|0,0,0]=2 410 B16R2.22833 OC(=O)CCc1c[nH]c2c1cccc2Br Amb17063359 [0,1,0,0,1,0|1,0,0]=3 411 B16R2.22833 OC(=O)CCc1c[nH]c2c1cccc2Cl Amb17063356 [0,1,0,0,1,0|1,0,0]=3 412 B16R2.22833 OC(=O)CCc1c[nH]c2c1cccc2F Amb17063352 [0,1,0,0,1,0|1,0,0]=3 413 B16R2.22904 CC(=O)CCc1c[nH]c2[n]ccc(Cl)c12 Amb24087789 [0,1,0,0,1,0|1,0,0]=3 414 B16R2.22904 CC(=O)CCc1c[nH]c2c1c(Br)ccc2 Amb17063426 [0,1,0,0,1,0|0,0,0]=2 415 B16R2.22904 CC(=O)CCc1c[nH]c2c1c(C)ccc2 Amb17063414 [0,1,0,0,1,0|0,0,0]=2 416 B16R2.22904 CC(=O)CCc1c[nH]c2c1c(Cl)ccc2 Amb17063422 [0,1,0,0,1,0|0,0,0]=2 417 B16R2.22904 CC(=O)CCc1c[nH]c2c1c(F)ccc2 Amb17063418 [0,1,0,0,1,0|0,0,0]=2 418 B16R2.22904 CC(CCc1c[nH]c2c1c(Br)ccc2)N Amb17063488 [0,1,0,0,1,0|1,0,1]=4 419 B16R2.22904 CC(CCc1c[nH]c2c1c(C)ccc2)N Amb17063476 [0,1,0,0,1,0|1,0,1]=4 420 B16R2.22904 CC(CCc1c[nH]c2c1c(Cl)ccc2)N Amb17063484 [0,1,0,0,1,0|1,0,1]=4 421 B16R2.22904 CC(CCc1c[nH]c2c1c(F)ccc2)N Amb17063480 [0,1,0,0,1,0|1,0,1]=4 422 B16R2.22904 CN(CCc1c[nH]c2c1c(O)ccc2)C Amb17595450 [0,1,0,0,1,0|2,0,0]=4 423 B16R2.22904 Cc1ccnc2c1c(CCC(=O)O)c[nH]2 Amb13885227 [0,1,0,0,1,0|2,0,0]=4 424 B16R2.22904 OC(=O)CCc1c[nH]c2c1c(Br)ccc2 Amb17063357 [0,1,0,0,1,0|1,0,0]=3 425 B16R2.22904 OC(=O)CCc1c[nH]c2c1c(C)ccc2 Amb17063345 [0,1,0,0,1,0|1,0,0]=3 426 B16R2.22904 OC(=O)CCc1c[nH]c2c1c(Cl)ccc2 Amb17063353 [0,1,0,0,1,0|1,0,0]=3 427 B16R2.22904 OC(=O)CCc1c[nH]c2c1c(F)ccc2 Amb17063349 [0,1,0,0,1,0|1,0,0]=3 428 B16R2.104522 CC(=O)CC[n]1cc(Br)c2ccccc12 Amb24739120 [0,1,0,0,1,0|2,0,0]=4 429 B16R2.104522 CC(=O)CC[n]1cc(Cl)c2ccccc12 Amb25371270 [0,1,0,0,1,0|2,0,0]=4 430 B16R2.104522 CC(=O)CCc1cn(c2c1cccc2)C Amb17595348 [0,1,0,0,1,0|0,0,0]=2 431 B16R2.104522 CC(=O)OCc1[n][n](C)c2ccccc21 Amb24069278 [0,1,0,0,1,0|2,0,0]=4 432 B16R2.104522 CC(=O)\C=C/c1cn(c2c1cccc2)C Amb10069506 [0,1,0,0,1,0|0,0,2]=4 433 B16R2.104522 CC(C)NCc1c[n](C)c2ccccc21 Amb18566604 [0,1,0,0,1,0|1,0,1]=4 434 B16R2.104522 CC(C)NCc1c[n](C)c2ccccc21 Amb21969162 [0,1,0,0,1,0|1,0,1]=4 435 B16R2.104522 CC(CCc1cn(c2c1cccc2)C)N Amb1981181 [0,1,0,0,1,0|1,0,1]=4 436 B16R2.104522 CC(N)CCc1cn(C)c2ccccc12 Amb17760422 [0,1,0,0,1,0|1,0,1]=4 437 B16R2.104522 C[n]1cc(CCC(C)Cl)c2ccccc12 Amb25801272 [0,1,0,0,1,0|1,0,1]=4 438 B16R2.104522 NC(=O)CSc1cn(c2c1cccc2)C Amb1349739 [0,1,0,0,1,0|2,0,0]=4 439 B16R2.104522 OC(=O)CSc1cn(c2c1cccc2)C Amb1058730 [0,1,0,0,1,0|2,0,0]=4 440 B18R2.11 CC(C)=NNC(=O)Cc1c[nH]c2ccccc21 Amb22442704 [0,1,0,0,0,1|1,0,1]=4 441 B18R2.178 CC(C)NC(C)CCc1c[nH]c2ccccc12 Amb23443883 [0,1,0,0,0,1|1,0,1]=4 442 B18R2.178 CC(NC(=O)CCc1c[nH]c2c1cccc2)C Amb2330868 [0,1,0,0,0,1|1,0,1]=4 443 B18R2.178 CN(CC(=O)O)CCc1c[nH]c2c1cccc2 Amb17345171 [0,1,0,0,0,1|1,0,0]=3 444 B18R2.179 CC(=O)C(=O)NCCc1c[nH]c2c1cccc2 Amb17407384 [0,1,0,0,0,1|0,0,0]=2 445 B18R2.179 C[C@@H](N)C(=O)NCCc1c[nH]c2ccccc12 Amb18014713 [0,1,0,0,0,1|1,0,1]=4 446 B18R2.179 N[C@@H](CSCc1c[nH]c2ccccc12)C(O)=O Amb24113527 [0,1,0,0,0,1|2,0,0]=4 447 B18R2.179 O=C(C(O)C)NCCc1c[nH]c2c1cccc2 Amb17407929 [0,1,0,0,0,1|0,0,2]=4 448 B18R2.179 OC(=O)C(=O)NCCc1c[nH]c2c1cccc2 Amb17048343 [0,1,0,0,0,1|1,0,0]=3 449 B18R2.375 CCC(=O)NCCCn1ccc2c1cccc2 Amb13854772 [0,1,0,0,0,1|2,0,0]=4 450 B18R2.375 CCC(=O)NCCCn1cnc2c1cccc2 Amb15960486 [0,1,0,0,0,1|1,0,1]=4 451 B18R2.375 COC(=O)CCNCc1c[s]c2ccccc12 Amb23955442 [0,1,0,0,0,1|2,0,0]=4 452 B18R2.3963 CC(CNCCc1c[nH]c2c1cccc2)(C)C Amb17249177 [0,1,0,0,0,1|1,0,1]=4 453 B18R2.6176 CC(=O)NCCCN1c2ccccc2OC1=O Amb20018736 [0,1,0,0,0,1|2,0,0]=4 454 B18R2.6176 CC(=O)NCCCn1c(C)nc2c1cccc2 Amb16790806 [0,1,0,0,0,1|1,0,1]=4 455 B18R2.6176 Cc1[nH]c2ccccc2c1\C=C\CCC(C)=O Amb18867864 [0,1,0,0,0,1|1,0,1]=4 456 B18R2.40893 CC(C)CNCCc1c[nH]c2ccc(Br)cc12 Amb23557740 [0,1,0,0,0,1|1,0,1]=4 457 B18R2.131795 CC(=O)CC\C=C\c1c[n](C)c2ccccc21 Amb18867863 [0,1,0,0,0,1|1,0,1]=4 458 B18R2.6153 CC(=O)NCCC1Oc2ccccc2NC1=O Amb16935900 [0,1,0,0,0,1|0,0,1]=3 459 B18R2.6153 CC(=O)N\N=C\C1=Cc2ccccc2NC1=O Amb22342644 [0,1,0,0,0,1|1,0,1]=4 460 B18R2.6153 CC(=O)N\N=C\c1cc2ccccc2[nH]c1=O Amb16219556 [0,1,0,0,0,1|1,0,1]=4 461 B18R2.6153 CC(=O)OCCc1cc2ccccc2oc1=O Amb24089691 [0,1,0,0,0,1|2,0,0]=4 462 B18R2.71948 CC(=O)NC(C)Cc1cc2ccccc2cc1 Amb20641882 [0,1,0,0,0,1|1,0,0]=3 463 B18R2.31660 CC(=O)NCCc1cccc2ccc(O)cc12 Amb21964015 [0,1,0,0,0,1|1,0,0]=3 464 B18R2.741502 CCC(=O)NCCc1cccc2c1nccc2 Amb10201015 [0,1,0,0,0,1|2,0,0]=4 465 B18R2.741502 O=C(CCl)NCCc1cccc2ccc[n]c12 Amb20669315 [0,1,0,0,0,1|2,0,0]=4 466 B18R2.741502 O=C(CCl)NCCc1cccc2ccc[n]c12 Amb22058748 [0,1,0,0,0,1|2,0,0]=4 467 B18R2.741502 O=C(CCl)NCCc1cccc2ccccc12 Amb19514460 [0,1,0,0,0,1|1,0,0]=3 468 B18R2.1 COC(=O)CC(=O)Cc1c[nH]c2c1cccc2 Amb13893678 [0,2,0,0,0,0|1,0,1]=4 469 B18R2.1 ClCC(=O)NC(Cc1c[nH]c2c1cccc2)C Amb1786817 [0,2,0,0,0,0|0,0,0]=2 470 B18R2.1 NCC(=O)NC(Cc1c[nH]c2c1cccc2)C Amb1051178 [0,2,0,0,0,0|0,0,0]=2 471 B18R2.9 BrCCC(=O)NCCc1c[nH]c2c1cccc2 Amb17327045 [0,2,0,0,0,0|0,0,0]=2 472 B18R2.9 CC=CC(=O)NCCc1c[nH]c2ccccc12 Amb24078027 [0,2,0,0,0,0|0,0,0]=2 473 B18R2.9 CCNC(=O)CNCc1c[nH]c2ccccc12 Amb23912406 [0,2,0,0,0,0|2,0,0]=4 474 B18R2.9 CCNC(=O)NCCc1c[nH]c2c1cccc2 Amb152094 [0,2,0,0,0,0|0,0,0]=2 475 B18R2.9 CCNC(=S)NCCc1c[nH]c2c1cccc2 Amb1651619 [0,2,0,0,0,0|0,1,0]=3 476 B18R2.9 CCOC(=O)NCCc1c[nH]c2ccccc12 Amb23911422 [0,2,0,0,0,0|0,0,0]=2 477 B18R2.9 CONC(=O)CCCc1c[nH]c2c1cccc2 Amb16072962 [0,2,0,0,0,0|1,0,0]=3 478 B18R2.9 CSCC(=O)NCCc1c[nH]c2c1cccc2 Amb15781335 [0,2,0,0,0,0|0,0,0]=2 479 B18R2.9 N#CCC(=O)NCCc1c[nH]c2c1cccc2 Amb1966862 [0,2,0,0,0,0|0,0,0]=2 480 B18R2.9 N#CCC(=O)N\N=C\c1c[nH]c2c1cccc2 Amb1263038 [0,2,0,0,0,0|1,0,1]=4 481 B18R2.9 NCCC(=O)NCCc1c[nH]c2ccccc12 Amb22042717 [0,2,0,0,0,0|0,0,0]=2 482 B18R2.37 COC(=O)[C@@H](C)CCc1c[nH]c2ccccc12 Amb23603907 [0,2,0,0,0,0|1,0,0]=3 483 B18R2.37 ClCC(=O)N(CCc1c[nH]c2c1cccc2)C Amb17261908 [0,2,0,0,0,0|0,0,0]=2 484 B18R2.37 NCC(=O)N(CCc1c[nH]c2c1cccc2)C Amb17249581 [0,2,0,0,0,0|0,0,0]=2 485 B18R2.117 CCS(=O)(=O)NCCc1c[nH]c2c1cccc2 Amb10793697 [0,2,0,0,0,0|1,0,0]=3 486 B18R2.117 N#CC(NCCc1c[nH]c2c1cccc2)(C)C Amb17044935 [0,2,0,0,0,0|1,0,1]=4 487 B18R2.313 Cc1cccc2c1[nH]cc2CCNC(=O)CN Amb24902129 [0,2,0,0,0,0|0,0,0]=2 488 B18R2.101402 COC(=O)CCCc1cn(c2c1cccc2)C Amb2439083 [0,2,0,0,0,0|1,0,0]=3 489 B18R2.101402 C[n]1cc(CCNC(=O)CN)c2ccccc12 Amb18897971 [0,2,0,0,0,0|0,0,0]=2 490 B18R2.101402 Cn1cc(c2c1nccc2)CCNC(=O)CC Amb16298400 [0,2,0,0,0,0|1,0,0]=3 491 B18R2.101402 NNC(=O)CCCc1cn(c2c1cccc2)C Amb2441708 [0,2,0,0,0,0|2,0,0]=4 492 B18R2.101408 CCC(=O)NCCN1c2ccccc2NC1=O Amb19117349 [0,2,0,0,0,0|1,0,0]=3 493 B18R2.101408 CCC(=O)NCCN1c2ccccc2OC1=O Amb20643929 [0,2,0,0,0,0|2,0,0]=4 494 B18R2.101408 CCC(=O)NCCn1c(C)nc2c1cccc2 Amb15960180 [0,2,0,0,0,0|1,0,1]=4 495 B18R2.101408 COC(=O)NCCN1c2ccccc2NC1=O Amb18377638 [0,2,0,0,0,0|1,0,0]=3 496 B18R2.101408 COC(=O)N\N=C\c1c(Cl)[nH]c2c1cccc2 Amb1792246 [0,2,0,0,0,0|1,0,1]=4 497 B18R2.101408 Cc1[nH]c2ccccc2c1CCNC(=O)CN Amb18897972 [0,2,0,0,0,0|0,0,0]=2 498 B18R2.101408 ClCC(=O)NCCc1c(C)[nH]c2c1cccc2 Amb1049697 [0,2,0,0,0,0|0,0,0]=2 499 B18R2.102090 CCC(=O)NCCc1c[nH]c2c1ccc(c2)C Amb15730887 [0,2,0,0,0,0|0,0,0]=2 500 B18R2.102090 NCC(=O)NCCc1c[nH]c2cc(F)ccc12 Amb25570062 [0,2,0,0,0,0|0,0,0]=2 501 B18R2.746213 NCC(=O)NCCc1c[nH]c2c1cc(Cl)cc2 Amb10072652 [0,2,0,0,0,0|0,0,0]=2 502 B18R2.746213 NCC(=O)NCCc1c[nH]c2c1cc(F)cc2 Amb10072653 [0,2,0,0,0,0|0,0,0]=2 503 B18R2.7129 CC(C)(CCc1c[nH]c2ccccc12)C(O)=O Amb18869078 [0,2,0,0,0,0|2,0,0]=4 504 B18R2.484079 CN(C(C)C)CCc1c[nH]c2c1c(O)ccc2 Amb17596368 [0,2,0,0,0,0|1,0,1]=4 505 B18R2.61976 CC(=O)N[C@@H](C)CN1C(=O)Oc2ccccc12 Amb20018674 [0,2,0,0,0,0|2,0,0]=4 506 B18R2.61976 CC(=O)N[C@H](C)CN1C(=O)Oc2ccccc12 Amb20018664 [0,2,0,0,0,0|2,0,0]=4 507 B18R2.61976 Cc1[nH]c2ccccc2c1CC(C)NC(C)C Amb18868850 [0,2,0,0,0,0|1,0,1]=4 508 B18R2.61976 Cc1[nH]c2ccccc2c1CC(N)CC(O)=O Amb18748463 [0,2,0,0,0,0|2,0,0]=4 509 B18R2.978778 CC(C)NC(C)Cc1c[n](C)c2ccccc12 Amb18868847 [0,2,0,0,0,0|1,0,1]=4 510 B18R2.978778 C[n]1cc(CC(N)CC(O)=O)c2ccccc12 Amb18869465 [0,2,0,0,0,0|2,0,0]=4 511 B18R2.978778 C[n]1cc(C[C@@H](N)CC(O)=O)c2ccccc12 Amb23401429 [0,2,0,0,0,0|2,0,0]=4 512 B18R2.6177 CC(=O)OCC(=O)c1c(C)[nH]c2c1cccc2 Amb1680037 [0,2,0,0,0,0|1,0,1]=4 513 B18R2.6177 Cc1[nH]c2ccccc2c1C(O)CNC(C)C Amb18573627 [0,2,0,0,0,0|1,0,1]=4 514 B18R2.33907 CC(C)(CCC(O)=O)c1c[nH]c2ccccc12 Amb18897826 [0,2,0,0,0,0|2,0,0]=4 515 B18R2.131796 CC(C)NCC(O)c1c[n](C)c2ccccc21 Amb18573623 [0,2,0,0,0,0|1,0,1]=4 516 B18R2.4013 CC(C)(C)NCCc1c[nH]c2cc(Cl)ccc12 Amb18902814 [0,2,0,0,0,0|1,0,1]=4 517 B18R2.4013 CC(C)(C)NCCc1c[nH]c2cc(F)ccc12 Amb18899056 [0,2,0,0,0,0|1,0,1]=4 518 B18R2.4013 CS(=O)(=O)NCCc1c[nH]c2cc(F)ccc12 Amb22135184 [0,2,0,0,0,0|1,0,0]=3 519 B18R2.4013 Cc1cc2[nH]cc(CCNC(C)(C)C)c2cc1 Amb18897692 [0,2,0,0,0,0|1,0,1]=4 520 B18R2.6149 CS(=O)(=O)NCCN1c2ccccc2NC1=O Amb19117389 [0,2,0,0,0,0|2,0,0]=4 521 B18R2.6149 Cc1[nH]c2ccccc2c1CCNC(C)(C)C Amb18897563 [0,2,0,0,0,0|1,0,1]=4 522 B18R2.40892 CC(C)(C)NCCc1c[nH]c2ccc(Cl)cc12 Amb18902790 [0,2,0,0,0,0|1,0,1]=4 523 B18R2.40892 CC(C)(C)NCCc1c[nH]c2ccc(F)cc12 Amb18899032 [0,2,0,0,0,0|1,0,1]=4 524 B18R2.40892 Cc1ccc2[nH]cc(CCNC(C)(C)C)c2c1 Amb18897568 [0,2,0,0,0,0|1,0,1]=4 525 B18R2.59206 CC(C)(C)NCCc1c[nH]c2c(Cl)cccc12 Amb18902802 [0,2,0,0,0,0|1,0,1]=4 526 B18R2.59206 CC(C)(C)NCCc1c[nH]c2c(F)cccc12 Amb18899044 [0,2,0,0,0,0|1,0,1]=4 527 B18R2.59206 Cc1cccc2c1[nH]cc2CCNC(C)(C)C Amb18897621 [0,2,0,0,0,0|1,0,1]=4 528 B18R2.59206 Cc1cccc2c1[nH]cc2CCNS(C)(=O)=O Amb22135188 [0,2,0,0,0,0|1,0,0]=3 529 B18R2.131794 C[n]1cc(CCNC(C)(C)C)c2ccccc12 Amb18897561 [0,2,0,0,0,0|1,0,1]=4 530 B18R2.3109 COc1ccc2c(c1)ccn2CCNC(=O)C Amb19147255 [0,2,0,0,0,0|2,0,0]=4 531 B18R2.33002 CC(=O)NCCN1c2ccc(Cl)cc2OC1=O Amb20018737 [0,2,0,0,0,0|2,0,0]=4 532 B18R2.33002 CC(=O)NCC[n]1c(S)[n]c2cc(I)ccc12 Amb24015847 [0,2,0,0,0,0|1,0,1]=4 533 B18R2.33002 Cc1[nH]c2cc(Cl)ccc2c1CCCC(O)=O Amb18902979 [0,2,0,0,0,0|2,0,0]=4 534 B18R2.33002 Cc1[nH]c2cc(Cl)ccc2c1CCNC(C)C Amb18902819 [0,2,0,0,0,0|1,0,1]=4 535 B18R2.33002 Cc1[nH]c2cc(F)ccc2c1CCCC(O)=O Amb18899225 [0,2,0,0,0,0|2,0,0]=4 536 B18R2.33002 Cc1[nH]c2cc(F)ccc2c1CCNC(C)C Amb18899061 [0,2,0,0,0,0|1,0,1]=4 537 B18R2.33002 Cc1ccc2c(c1)[nH]c(C)c2CCCC(O)=O Amb18897872 [0,2,0,0,0,0|2,0,0]=4 538 B18R2.33002 Cc1ccc2c(c1)[nH]c(C)c2CCNC(C)C Amb18897698 [0,2,0,0,0,0|1,0,1]=4 539 B18R2.359477 CC(C)NCCc1c[nH]c2cc(C)cc(C)c12 Amb18897673 [0,2,0,0,0,0|1,0,1]=4 540 B18R2.359477 Cc1cc2[nH]cc(CCCC(O)=O)c2c(C)c1 Amb18750858 [0,2,0,0,0,0|2,0,0]=4 541 B18R2.495014 Cc1cc2c(CCCC(=O)O)c[nH]c2cc1C Amb17063718 [0,2,0,0,0,0|2,0,0]=4 542 B18R2.508212 Cc1c(Cl)ccc2c1[nH]cc2CCCC(O)=O Amb18699020 [0,2,0,0,0,0|2,0,0]=4 543 B18R2.508212 Cc1c(Cl)ccc2c1[nH]cc2CCNC(C)C Amb18902826 [0,2,0,0,0,0|1,0,1]=4 544 B18R2.508212 Cc1ccc2c([nH]cc2CCCC(O)=O)c1C Amb18750851 [0,2,0,0,0,0|2,0,0]=4 545 B18R2.508212 Cc1ccc2c([nH]cc2CCNC(C)C)c1C Amb18897636 [0,2,0,0,0,0|1,0,1]=4 546 B18R2.508846 C[n]1cc(CCCC(O)=O)c2ccc(Cl)cc12 Amb18902978 [0,2,0,0,0,0|2,0,0]=4 547 B18R2.508846 C[n]1cc(CCCC(O)=O)c2ccc(F)cc12 Amb18899223 [0,2,0,0,0,0|2,0,0]=4 548 B18R2.508846 C[n]1cc(CCNC(C)C)c2ccc(Cl)cc12 Amb18902816 [0,2,0,0,0,0|1,0,1]=4 549 B18R2.508846 C[n]1cc(CCNC(C)C)c2ccc(F)cc12 Amb18899058 [0,2,0,0,0,0|1,0,1]=4 550 B18R2.508846 C[n]1cc(CCNC(N)=N)c2ccc(Cl)cc12 Amb25608527 [0,2,0,0,0,0|2,0,0]=4 551 B18R2.508846 C[n]1cc(CCNC(N)=N)c2ccc(F)cc12 Amb25547986 [0,2,0,0,0,0|2,0,0]=4 552 B18R2.508846 Cc1cc2c(cc1)c(CCCC(O)=O)c[n]2C Amb18897870 [0,2,0,0,0,0|2,0,0]=4 553 B18R2.508846 Cc1cc2c(cc1)c(CCNC(C)C)c[n]2C Amb18897694 [0,2,0,0,0,0|1,0,1]=4 554 B18R2.274219 CC(=O)NCC[n]1c(N)[n]c2ccc(Br)cc12 Amb24002731 [0,2,0,0,0,0|1,0,1]=4 555 B18R2.274219 CC(=O)NCC[n]1c(S)[n]c2ccc(Br)cc12 Amb24002681 [0,2,0,0,0,0|1,0,1]=4 556 B18R2.274219 Cc1[nH]c2ccc(Br)cc2c1CCCC(O)=O Amb18908124 [0,2,0,0,0,0|2,0,0]=4 557 B18R2.274219 Cc1[nH]c2ccc(Cl)cc2c1CCCC(O)=O Amb18902973 [0,2,0,0,0,0|2,0,0]=4 558 B18R2.274219 Cc1[nH]c2ccc(Cl)cc2c1CCNC(C)C Amb18902795 [0,2,0,0,0,0|1,0,1]=4 559 B18R2.274219 Cc1[nH]c2ccc(F)cc2c1CCCC(O)=O Amb18740778 [0,2,0,0,0,0|2,0,0]=4 560 B18R2.274219 Cc1[nH]c2ccc(F)cc2c1CCNC(C)C Amb18899037 [0,2,0,0,0,0|1,0,1]=4 561 B18R2.274219 Cc1ccc2[nH]c(C)c(CCCC(O)=O)c2c1 Amb18897832 [0,2,0,0,0,0|2,0,0]=4 562 B18R2.274219 Cc1ccc2[nH]c(C)c(CCNC(C)C)c2c1 Amb18897574 [0,2,0,0,0,0|1,0,1]=4 563 B18R2.274219 Cc1ccc2[n]c(S)[n](CCNC(C)=O)c2c1 Amb24043881 [0,2,0,0,0,0|1,0,1]=4 564 B18R2.481385 CC(=O)NCC[n]1c(=S)[nH]c2c(N)[n]ccc12 Amb24074175 [0,2,0,0,0,0|2,0,0]=4 565 B18R2.481385 Cc1[nH]c2c(Cl)cccc2c1CCCC(O)=O Amb18902976 [0,2,0,0,0,0|2,0,0]=4 566 B18R2.481385 Cc1[nH]c2c(F)cccc2c1CCCC(O)=O Amb18899221 [0,2,0,0,0,0|2,0,0]=4 567 B18R2.481385 Cc1[nH]c2c(cccc2Cl)c1CCNC(C)C Amb18902807 [0,2,0,0,0,0|1,0,1]=4 568 B18R2.481385 Cc1[nH]c2c(cccc2F)c1CCNC(C)C Amb18899049 [0,2,0,0,0,0|1,0,1]=4 569 B18R2.481385 Cc1cccc2c1[nH]c(C)c2CCCC(O)=O Amb18897844 [0,2,0,0,0,0|2,0,0]=4 570 B18R2.481385 Cc1cccc2c1[nH]c(C)c2CCNC(C)C Amb18897627 [0,2,0,0,0,0|1,0,1]=4 571 B18R2.2313821 CN1c2ccccc2N(CCNC(C)=O)C1=O Amb19117241 [0,2,0,0,0,0|1,0,0]=3 572 B18R2.2313821 Cc1c(CCNC(C)C)c2ccccc2[n]1C Amb18868853 [0,2,0,0,0,0|1,0,1]=4 573 B18R2.2313821 OC(=O)CCCc1c(C)n(c2c1cccc2)C Amb1102228 [0,2,0,0,0,0|2,0,0]=4 574 B18R2.120971 CC(=O)NCCc1c[nH]c2ccc(CC)cc12 Amb24073061 [0,2,0,0,0,0|0,0,0]=2 575 B18R2.120971 CC(=O)NCCc1c[s]c2ccc(CC)cc12 Amb24074176 [0,2,0,0,0,0|1,0,0]=3 576 B18R2.120971 COc1cc2c(CCNC(=N)N)c[nH]c2cc1 Amb1053081 [0,2,0,0,0,0|2,0,0]=4 577 B18R2.120971 COc1ccc2c(c1)c(CCNC(=N)N)c[nH]2 Amb2111143 [0,2,0,0,0,0|2,0,0]=4 578 B18R2.120971 COc1ccc2c(c1)c(CCNC(=O)C)c[nH]2 Amb1088356 [0,2,0,0,0,0|0,0,0]=2 579 B18R2.120971 COc1ccc2c(c1)c(CCNC(C)C)c[nH]2 Amb1053076 [0,2,0,0,0,0|1,0,1]=4 580 B18R2.120971 [S-]C(=S)NCCc1c[nH]c2c1cc(OC)cc2 Amb16757936 [0,2,0,0,0,0|1,1,0]=4 581 B18R2.508866 C[n]1cc(CCCC(O)=O)c2cc(Cl)ccc12 Amb18902972 [0,2,0,0,0,0|2,0,0]=4 582 B18R2.508866 C[n]1cc(CCCC(O)=O)c2cc(F)ccc12 Amb18899217 [0,2,0,0,0,0|2,0,0]=4 583 B18R2.508866 C[n]1cc(CCNC(C)C)c2cc(Cl)ccc12 Amb18902792 [0,2,0,0,0,0|1,0,1]=4 584 B18R2.508866 C[n]1cc(CCNC(C)C)c2cc(F)ccc12 Amb18899034 [0,2,0,0,0,0|1,0,1]=4 585 B18R2.508866 Cc1ccc2c(c1)c(CCCC(O)=O)c[n]2C Amb18897831 [0,2,0,0,0,0|2,0,0]=4 586 B18R2.508866 Cc1ccc2c(c1)c(CCNC(C)C)c[n]2C Amb18897571 [0,2,0,0,0,0|1,0,1]=4 587 B18R2.2319587 Cc1cc2c([nH]cc2CCCC(O)=O)c(C)c1 Amb18750805 [0,2,0,0,0,0|2,0,0]=4 588 B18R2.2319587 Cc1cc2c([nH]cc2CCNC(C)C)c(C)c1 Amb18897654 [0,2,0,0,0,0|1,0,1]=4 589 B18R2.105316 CC(=O)NCC[n]1ccc2c(cccc12)OC Amb21921298 [0,2,0,0,0,0|2,0,0]=4 590 B18R2.105316 CC(=O)NCCc1c[nH]c2c1cccc2CC Amb24073066 [0,2,0,0,0,0|0,0,0]=2 591 B18R2.484150 C[n]1cc(CCCC(O)=O)c2cccc(Cl)c12 Amb18902975 [0,2,0,0,0,0|2,0,0]=4 592 B18R2.484150 C[n]1cc(CCCC(O)=O)c2cccc(F)c12 Amb18899220 [0,2,0,0,0,0|2,0,0]=4 593 B18R2.484150 C[n]1cc(CCNC(C)C)c2cccc(Cl)c12 Amb18902804 [0,2,0,0,0,0|1,0,1]=4 594 B18R2.484150 C[n]1cc(CCNC(C)C)c2cccc(F)c12 Amb18899046 [0,2,0,0,0,0|1,0,1]=4 595 B18R2.484150 Cc1cccc2c1[n](C)cc2CCCC(O)=O Amb18897843 [0,2,0,0,0,0|2,0,0]=4 596 B18R2.484150 Cc1cccc2c1[n](C)cc2CCNC(C)C Amb18897623 [0,2,0,0,0,0|1,0,1]=4 597 B18R2.506228 Cc1ccc(C)c2[nH]cc(CCCC(O)=O)c12 Amb18750809 [0,2,0,0,0,0|2,0,0]=4 598 B18R2.506228 Cc1ccc(C)c2[nH]cc(CCNC(C)C)c12 Amb18897707 [0,2,0,0,0,0|1,0,1]=4 599 B18R2.254903 CCn1cc(c2c1nccc2)CCNC(=O)C Amb16298475 [0,2,0,0,0,0|1,0,0]=3 600 B16R2.477 CC(=O)NCc1cc2ccccc2cc1 Amb23260176 [0,0,1,1,0,0|1,0,1]=4 601 B16R2.3356 CC(=O)NCc1cc2ccccc2n1C Amb17872641 [0,0,1,1,0,0|0,0,2]=4 602 B16R2.179941 CC(=O)NCc1cccc2ccccc21 Amb23220453 [0,0,1,1,0,0|1,0,1]=4 603 B16R2.85 CC(=O)N1CC=C(CC1)c2ccccc2 Amb21126235 [0,0,1,1,0,0|1,0,0]=3 604 B16R2.157 CC(=O)Nc1[nH]cc(n1)c2ccccc2 Amb1102420 [0,0,1,1,0,0|1,0,1]=4 605 B16R2.39178 CC(=O)N1CCC(C=O)c2ccccc12 Amb23586315 [0,0,1,1,0,0|1,0,1]=4 606 B16R2.27401 CC(=O)NCCc1cccc2cc[nH]c12 Amb24083725 [0,0,1,1,0,0|0,0,0]=2 607 B16R2.27401 OC(=O)CCCc1cccc2cc[nH]c12 Amb18785963 [0,0,1,1,0,0|2,0,0]=4 608 B16R3.8 C1NCC(O1)c2c[nH]c3ccccc23 Amb18863308 [1,0,0,1,0,0|0,0,2]=4 609 B16R3.8 C1NCCC1c2c[nH]c3[n]cccc23 Amb18821391 [1,0,0,1,0,0|1,0,1]=4 610 B16R3.8 C1NCCC1c2c[nH]c3c[n]ccc23 Amb24406653 [1,0,0,1,0,0|1,0,1]=4 611 B16R3.8 C1NCCC1c2c[nH]c3cc[n]cc32 Amb18821394 [1,0,0,1,0,0|1,0,1]=4 612 B16R3.8 C1NCCC1c2c[nH]c3ccc[n]c23 Amb18821392 [1,0,0,1,0,0|1,0,1]=4 613 B16R3.8 C1NCCC1c2c[nH]c3ccccc23 Amb18561913 [1,0,0,1,0,0|0,0,1]=3 614 B16R3.8 C1NCCC1c2c[s]c3ccccc32 Amb18785238 [1,0,0,1,0,0|1,0,1]=4 615 B16R3.8 C1NCCC1c2coc3ccccc32 Amb18191128 [1,0,0,1,0,0|1,0,1]=4 616 B16R3.1722 C1COCCc2[nH]c3ccccc3c21 Amb25054758 [1,0,0,1,0,0|1,0,1]=4 617 B16R3.1722 C1CSCCc2[nH]c3ccccc3c21 Amb24640293 [1,0,0,1,0,0|1,0,1]=4 618 B16R3.1722 C1Cc2c3ccccc3[nH]c2CCN1 Amb18821991 [1,0,0,1,0,0|0,0,1]=3 619 B16R3.1722 C1NCCCc2c3ccccc3[nH]c21 Amb18821989 [1,0,0,1,0,0|2,0,0]=4 620 B16R3.1813 C(C1CNC1)c2c[nH]c3ccccc23 Amb18564387 [1,0,0,1,0,0|2,0,0]=4 621 B16R3.3329 CC1NCCc2c1[nH]c3c2cccc3 Amb1049726 [1,0,0,1,0,0|0,0,1]=3 622 B16R3.3329 CC1NCCc2c3ccccc3[s]c21 Amb22437002 [1,0,0,1,0,0|1,0,1]=4 623 B16R3.3329 CC1SCCc2c3ccccc3[nH]c21 Amb25714576 [1,0,0,1,0,0|1,0,1]=4 624 B16R3.3329 C[C@@H]1NCCc2c3ccccc3[nH]c21 Amb25664206 [1,0,0,1,0,0|0,0,1]=3 625 B16R3.3329 ClC1=NCCc2c3ccccc3[nH]c21 Amb25112136 [1,0,0,1,0,0|1,0,1]=4 626 B16R3.3329 O=C1CCCc2c1[nH]c3c2cccc3 Amb1033076 [1,0,0,1,0,0|1,0,0]=3 627 B16R3.3329 O=C1CCCc2c3[n]cccc3[nH]c21 Amb25752380 [1,0,0,1,0,0|2,0,0]=4 628 B16R3.3329 O=C1CCCc2c3ccccc3[s]c21 Amb20622624 [1,0,0,1,0,0|2,0,0]=4 629 B16R3.3329 O=C1CCCc2c3ccccc3oc21 Amb24671275 [1,0,0,1,0,0|2,0,0]=4 630 B16R3.3329 O=C1CCSc2c1[nH]c3ccccc32 Amb25743454 [1,0,0,1,0,0|2,0,0]=4 631 B16R3.3329 O=C1NC=Nc2c1[nH]c3ccccc32 Amb19955122 [1,0,0,1,0,0|1,0,1]=4 632 B16R3.3329 O=C1NCC[n]2c1[n]c3ccccc23 Amb24085487 [1,0,0,1,0,0|1,0,1]=4 633 B16R3.3329 O=C1NCC[n]2c3ccccc3cc21 Amb22002305 [1,0,0,1,0,0|2,0,0]=4 634 B16R3.3329 O=C1NCCc2c1[nH]c3c2cccc3 Amb1052379 [1,0,0,1,0,0|0,0,0]=2 635 B16R3.3329 O=C1NCCc2c1[n][n]3ccccc32 Amb25104715 [1,0,0,1,0,0|1,0,1]=4 636 B16R3.3329 O=C1NCCc2c3[n]cccc3[nH]c21 Amb25350345 [1,0,0,1,0,0|1,0,0]=3 637 B16R3.3329 O=C1NCCc2c3cc[n]cc3[nH]c21 Amb25233520 [1,0,0,1,0,0|1,0,0]=3 638 B16R3.3329 O=C1NN=Cc2c1[nH]c3ccccc23 Amb18528728 [1,0,0,1,0,0|1,0,1]=4 639 B16R3.3329 O=C1NNCc2c1[nH]c3ccccc32 Amb24418051 [1,0,0,1,0,0|1,0,0]=3 640 B16R3.3329 O=c1[nH]cnc2c1[nH]c3c2cccc3 Amb1035463 [1,0,0,1,0,0|1,0,1]=4 641 B16R3.3329 OC1=NCCc2c3ccccc3[nH]c21 Amb22264632 [1,0,0,1,0,0|0,0,2]=4 642 B16R3.3329 S=C1NCCc2c3ccccc3[nH]c21 Amb22448508 [1,0,0,1,0,0|0,1,0]=3 643 B16R3.27932 CC1NCCc2c[nH]c3cccc1c23 Amb24374614 [1,0,0,1,0,0|0,0,1]=3 644 B16R3.27932 O=C1CNCc2c[nH]c3cccc1c23 Amb18822137 [1,0,0,1,0,0|2,0,0]=4 645 B16R3.27932 O=C1NCC[n]2c[n]c3cccc1c23 Amb24392172 [1,0,0,1,0,0|1,0,1]=4 646 B16R3.27932 O=C1NCC[n]2ccc3cccc1c23 Amb25183023 [1,0,0,1,0,0|2,0,0]=4 647 B16R3.27932 O=C1NN=Cc2c[nH]c3cccc1c23 Amb22741122 [1,0,0,1,0,0|1,0,1]=4 648 B16R3.48618 O=CN1CCc2c[nH]c3cccc1c23 Amb25770012 [1,0,0,1,0,0|0,0,0]=2 649 B16R3.67 O=C1CC(N1)c2c[nH]c3ccccc23 Amb25824646 [0,0,0,1,1,0|0,0,0]=2 650 B16R3.67 O=C1CC(N1)c2c[s]c3ccccc23 Amb25286815 [0,0,0,1,1,0|1,0,0]=3 651 B16R3.67 O=C1CC(N1)c2coc3ccccc23 Amb25355282 [0,0,0,1,1,0|1,0,0]=3 652 B16R3.2637 CN1Cc2[nH]c3ccccc3c2CN1 Amb24374666 [0,0,0,1,1,0|2,0,0]=4 653 B16R3.2637 C[N+]=1CCc2c3ccccc3[nH]c2C1 Amb21912555 [0,0,0,1,1,0|2,0,0]=4 654 B16R3.2637 C[N+]=1CCc2c3ccccc3[nH]c2C1 Amb22757762 [0,0,0,1,1,0|2,0,0]=4 655 B16R3.2637 NC1Cc2[nH]c3ccccc3c2CC1 Amb18821968 [0,0,0,1,1,0|1,0,1]=4 656 B16R3.2637 NC1Cc2[nH]c3ccccc3c2CC1 Amb23399557 [0,0,0,1,1,0|1,0,1]=4 657 B16R3.2637 O=C1CCC=2c3ccccc3CC2N1 Amb25827531 [0,0,0,1,1,0|2,0,0]=4 658 B16R3.2637 O=C1C[C@@H]2Nc3ccccc3[C@@H]2CC1 Amb25268212 [0,0,0,1,1,0|0,0,2]=4 659 B16R3.2637 O=C1Cc2[nH]c3ccccc3c2CC1 Amb24183648 [0,0,0,1,1,0|0,0,0]=2 660 B16R3.2637 O=C1Cc2cc3ccccc3[n]2CC1 Amb25226780 [0,0,0,1,1,0|2,0,0]=4 661 B16R3.2637 O=C1NN=C2C(Nc3ccccc32)=N1 Amb19762575 [0,0,0,1,1,0|2,0,0]=4 662 B16R3.2637 OC1Cc2[nH]c3ccccc3c2CC1 Amb25276461 [0,0,0,1,1,0|0,0,2]=4 663 B16R3.16512 CC1(O)CCc2c[nH]c3cccc1c23 Amb24427671 [0,0,0,1,1,0|0,0,2]=4 664 B16R3.17569 CN1Cc2cccc3[nH]cc(CC1)c23 Amb25111885 [0,0,0,1,1,0|2,0,0]=4 665 B16R3.17569 O=C1CCc2c[nH]c3cccc(N1)c23 Amb24379476 [0,0,0,1,1,0|1,0,0]=3 666 B16R3.17569 O=C1Cc2cccc3[nH]cc(CN1)c23 Amb24663135 [0,0,0,1,1,0|0,0,0]=2 667 B16R3.104880 CC1(C)CCc2c3ccccc3[nH]c12 Amb25373585 [0,0,0,1,1,0|1,0,1]=4 668 B18R3.50 O=C1CC(NCC1)c2c[nH]c3cc[n]cc32 Amb18173601 [0,0,0,1,0,1|2,0,0]=4 669 B18R3.50 O=C1CC(NCC1)c2c[nH]c3ccc[n]c23 Amb18173605 [0,0,0,1,0,1|2,0,0]=4 670 B18R3.50 O=C1CC(NCC1)c2c[nH]c3ccccc23 Amb18174351 [0,0,0,1,0,1|1,0,0]=3 671 B18R3.50 O=C1CC(NCC1)c2coc3ccccc32 Amb18173776 [0,0,0,1,0,1|2,0,0]=4 672 B18R3.2886 O=C1N[C@@H](Cc2c[nH]c3ccccc23)CO1 Amb20240750 [0,0,0,1,0,1|2,0,0]=4 673 B18R3.2886 O=C1N[C@H](Cc2c[nH]c3ccccc23)CO1 Amb20240791 [0,0,0,1,0,1|2,0,0]=4 674 B18R3.14454 C(CCNC1CC1)c2c[nH]c3ccccc23 Amb18225298 [0,0,0,1,0,1|1,0,1]=4 675 B18R3.14454 C(NCCc1c[nH]c2ccccc12)C3CC3 Amb22467515 [0,0,0,1,0,1|1,0,1]=4 676 B18R3.117422 CC(=O)C1CCCc2c3ccccc3[nH]c21 Amb22438787 [0,0,0,1,0,1|1,0,0]=3 677 B18R3.117422 CC(=O)N1CCCn2c1nc3c2cccc3 Amb1817734 [0,0,0,1,0,1|1,0,1]=4 678 B18R3.117422 NC(=O)C1NCCc2c3ccccc3[nH]c21 Amb21913966 [0,0,0,1,0,1|1,0,0]=3 679 B18R3.117422 OC(=O)C1CCCc2c1[nH]c3c2cccc3 Amb1093254 [0,0,0,1,0,1|2,0,0]=4 680 B18R3.117422 OC(=O)C1NCCc2c1[nH]c3c2cccc3 Amb2235881 [0,0,0,1,0,1|1,0,0]=3 681 B18R3.117422 OC(=O)C1NCCc2c3[n]cccc3[nH]c21 Amb18171603 [0,0,0,1,0,1|2,0,0]=4 682 B18R3.117422 OC(=O)C1NCCc2c3cc[n]cc3[nH]c21 Amb18171602 [0,0,0,1,0,1|2,0,0]=4 683 B18R3.117422 OC(=O)C1NCCc2c3ccc[n]c3[nH]c21 Amb18171622 [0,0,0,1,0,1|2,0,0]=4 684 B18R3.117422 [O-]C(=O)C1[NH2+]CCc2c1[nH]c3c2cccc3 Amb13892433 [0,0,0,1,0,1|1,0,1]=4 685 B18R3.143999 OC(=O)CC1CCc2c3ccccc3[nH]c21 Amb18173791 [0,0,0,1,0,1|2,0,0]=4 686 B18R3.140294 CCC(=O)N1CCn2c1nc3c2cccc3 Amb1776356 [0,1,0,1,0,0|1,0,1]=4 687 B18R3.7470 CC(=O)N1CC(C1)c2[n][nH]c3[n]cccc23 Amb20136572 [0,1,0,1,0,0|2,0,0]=4 688 B18R3.116932 OC(=O)C1Cc2[nH]c3ccccc3c2CC1 Amb18173796 [0,1,0,1,0,0|2,0,0]=4 689 B18R3.118155 NC1(CC1c2c[nH]c3ccccc23)C(O)=O Amb23456101 [0,1,0,1,0,0|2,0,0]=4 690 B18R3.118559 OC(=O)CC1Cc2c3ccccc3[nH]c2C1 Amb18173792 [0,1,0,1,0,0|2,0,0]=4 691 B18R3.118885 CC(Cc1c[nH]c2ccccc12)NC3CC3 Amb18225299 [0,1,0,1,0,0|1,0,1]=4 692 B18R3.7568 OC(CNC1CC1)c2c[nH]c3ccccc23 Amb18067176 [0,1,0,1,0,0|1,0,1]=4 693 B18R3.3160 Cc1cc2[nH]cc(CCNC3CC3)c2cc1 Amb18244213 [0,1,0,1,0,0|1,0,1]=4 694 B18R3.3160 Clc1cc2[nH]cc(CCNC3CC3)c2cc1 Amb18899148 [0,1,0,1,0,0|1,0,1]=4 695 B18R3.3160 Fc1cc2[nH]cc(CCNC3CC3)c2cc1 Amb18896640 [0,1,0,1,0,0|1,0,1]=4 696 B18R3.96023 Cc1[nH]c2ccccc2c1CCNC3CC3 Amb18866558 [0,1,0,1,0,0|1,0,1]=4 697 B18R3.576529 Brc1ccc2[nH]cc(CCNC3CC3)c2c1 Amb18907269 [0,1,0,1,0,0|1,0,1]=4 698 B18R3.576529 Cc1ccc2[nH]cc(CCNC3CC3)c2c1 Amb18244208 [0,1,0,1,0,0|1,0,1]=4 699 B18R3.576529 Clc1ccc2[nH]cc(CCNC3CC3)c2c1 Amb18246396 [0,1,0,1,0,0|1,0,1]=4 700 B18R3.576529 Fc1ccc2[nH]cc(CCNC3CC3)c2c1 Amb18244942 [0,1,0,1,0,0|1,0,1]=4 701 B18R3.5894 Brc1cccc2c1[nH]cc2CCNC3CC3 Amb18907272 [0,1,0,1,0,0|1,0,1]=4 702 B18R3.5894 Cc1cccc2c1[nH]cc2CCNC3CC3 Amb18244209 [0,1,0,1,0,0|1,0,1]=4 703 B18R3.5894 Clc1cccc2c1[nH]cc2CCNC3CC3 Amb18246397 [0,1,0,1,0,0|1,0,1]=4 704 B18R3.5894 Fc1cccc2c1[nH]cc2CCNC3CC3 Amb18896639 [0,1,0,1,0,0|1,0,1]=4 705 B18R3.622434 C[n]1c2c(CCNC2(C)C)c3ccccc13 Amb18174011 [0,1,0,1,0,0|1,0,1]=4 706 B18R3.4277315 C[n]1cc(CCNC2CC2)c3ccccc13 Amb18225300 [0,1,0,1,0,0|1,0,1]=4 707 B14R1.422 CC(=O)NCCC#Cc1ccccc1 Amb24072453 [0,0,1,0,1,0|0,0,2]=4 708 B14R1.422 CC(=O)NCCCSc1ccccc1 Amb21792154 [0,0,1,0,1,0|1,0,1]=4 709 B14R1.422 CC(=O)NCCOCc1ccccc1 Amb23166894 [0,0,1,0,1,0|1,0,1]=4 710 B14R1.422 CC(=O)NCC\N=C\c1ccccc1 Amb24073400 [0,0,1,0,1,0|1,0,0]=3 711 B14R1.422 CC(=O)NC\C=C/Cc1ccccc1 Amb24072932 [0,0,1,0,1,0|1,0,0]=3 712 B14R1.422 CC(=O)NNC\C=C/c1ccccc1 Amb24072928 [0,0,1,0,1,0|1,0,0]=3 713 B14R1.422 CC(C)NCCC=Cc1ccccc1 Amb19072704 [0,0,1,0,1,0|1,0,1]=4 714 B14R1.422 OC(=O)CCC\C=C\c1ccccc1 Amb17619337 [0,0,1,0,1,0|2,0,0]=4 715 B14R1.160 CC(=O)NCC(=O)c1ccccc1O Amb24402937 [0,0,1,0,1,0|2,0,0]=4 716 B14R1.160 Nc1ccccc1C(=O)CCC(O)=O Amb22229453 [0,0,1,0,1,0|2,0,0]=4 717 B14R2.2 C=C(Cl)Cc1c[nH]c2ccccc21 Amb24489053 [0,0,0,0,2,0|1,0,1]=4 718 B14R2.2 CC(=O)CC1CNc2ccccc21 Amb25155675 [0,0,0,0,2,0|0,0,2]=4 719 B14R2.2 CC(=O)C[n]1ccc2ccccc12 Amb18185769 [0,0,0,0,2,0|2,0,0]=4 720 B14R2.2 CC(=O)Cc1[n]oc2ccccc21 Amb25678384 [0,0,0,0,2,0|2,0,0]=4 721 B14R2.2 CC(=O)Cc1c[n]c2cccc[n]21 Amb24082608 [0,0,0,0,2,0|1,0,1]=4 722 B14R2.2 CC(=O)Cc1csc2c1cccc2 Amb17594971 [0,0,0,0,2,0|1,0,0]=3 723 B14R2.2 CC(=O)NC1=CCc2ccccc12 Amb22270448 [0,0,0,0,2,0|1,0,0]=3 724 B14R2.2 CC(=O)Nc1[n][nH]c2ccccc21 Amb18795578 [0,0,0,0,2,0|1,0,0]=3 725 B14R2.2 CC(=O)Nc1[n][s]c2ccccc21 Amb22478820 [0,0,0,0,2,0|2,0,0]=4 726 B14R2.2 CC(=O)Nc1[n]oc2ccccc21 Amb20285933 [0,0,0,0,2,0|2,0,0]=4 727 B14R2.2 CC(=O)Nc1[s][n]c2ccccc21 Amb25815772 [0,0,0,0,2,0|1,0,1]=4 728 B14R2.2 CC(=O)Nc1c[n]c2cccc[n]21 Amb23437243 [0,0,0,0,2,0|1,0,1]=4 729 B14R2.2 CC(=O)Nc1c[s]c2cccc[n+]21 Amb25123412 [0,0,0,0,2,0|2,0,0]=4 730 B14R2.2 CC(=O)Nc1coc2c1cccc2 Amb1102596 [0,0,0,0,2,0|1,0,0]=3 731 B14R2.2 CC(=O)Nc1csc2c1cccc2 Amb10810744 [0,0,0,0,2,0|1,0,0]=3 732 B14R2.2 CC(=O)Nn1cnc2c1cccc2 Amb1629853 [0,0,0,0,2,0|1,0,1]=4 733 B14R2.2 CC(=O)Oc1[n][nH]c2ccccc21 Amb25850315 [0,0,0,0,2,0|2,0,0]=4 734 B14R2.2 CC(=O)Oc1c[nH]c2c1cccc2 Amb1229160 [0,0,0,0,2,0|1,0,0]=3 735 B14R2.2 CC(=O)Oc1c[nH]c2c1cccn2 Amb15692253 [0,0,0,0,2,0|2,0,0]=4 736 B14R2.2 CC(=O)Oc1c[nH]c2ccc[n]c12 Amb25373895 [0,0,0,0,2,0|2,0,0]=4 737 B14R2.2 CC(=O)Oc1c[s]c2ccccc21 Amb24066373 [0,0,0,0,2,0|2,0,0]=4 738 B14R2.2 CC(=O)Sc1c[nH]c2ccccc12 Amb25742488 [0,0,0,0,2,0|1,0,0]=3 739 B14R2.2 CC(=S)Nc1c[s]c2ccccc21 Amb24640251 [0,0,0,0,2,0|1,1,0]=4 740 B14R2.2 CC(Cc1c[nH]c2c1cccc2)N Amb10789134 [0,0,0,0,2,0|1,0,1]=4 741 B14R2.2 CC(Cc1c[nH]c2c1cccc2)N Amb16234004 [0,0,0,0,2,0|1,0,1]=4 742 B14R2.2 CC(N)Cc1c[nH]c2ccccc21 Amb22734954 [0,0,0,0,2,0|1,0,1]=4 743 B14R2.2 CC(O)Cc1c[nH]c2ccccc21 Amb23443844 [0,0,0,0,2,0|0,0,2]=4 744 B14R2.2 CN(Cc1c[nH]c2c1cccc2)C Amb1151735 [0,0,0,0,2,0|2,0,0]=4 745 B14R2.2 CN(Cc1c[nH]c2c1cccc2)C Amb15740694 [0,0,0,0,2,0|2,0,0]=4 746 B14R2.2 CN(N)Cc1c[nH]c2ccccc21 Amb25192206 [0,0,0,0,2,0|2,0,0]=4 747 B14R2.2 CN(O)Cc1c[nH]c2ccccc21 Amb25835195 [0,0,0,0,2,0|1,0,1]=4 748 B14R2.2 CS(=O)Nc1[n][nH]c2ccccc21 Amb24737252 [0,0,0,0,2,0|2,0,0]=4 749 B14R2.2 C[C@@H](N)Cc1c[nH]c2ccccc21 Amb18197539 [0,0,0,0,2,0|1,0,1]=4 750 B14R2.2 C[C@H](O)Cc1c[nH]c2ccccc21 Amb25349672 [0,0,0,0,2,0|0,0,2]=4 751 B14R2.2 C\C(\N)=C\c1c[nH]c2ccccc12 Amb24396135 [0,0,0,0,2,0|1,0,1]=4 752 B14R2.2 ClC(=O)Cc1c[nH]c2ccccc12 Amb17940509 [0,0,0,0,2,0|1,0,0]=3 753 B14R2.2 NC(=O)Cc1c[nH]c2c1cccc2 Amb1218067 [0,0,0,0,2,0|1,0,0]=3 754 B14R2.2 NC(=O)Cc1c[nH]c2c[n]ccc21 Amb25289774 [0,0,0,0,2,0|2,0,0]=4 755 B14R2.2 NC(=O)Cc1c[s]c2ccccc21 Amb25322207 [0,0,0,0,2,0|2,0,0]=4 756 B14R2.2 NC(=O)Cc1coc2ccccc21 Amb22039467 [0,0,0,0,2,0|2,0,0]=4 757 B14R2.2 NC(=O)NC1=CCc2ccccc12 Amb25707942 [0,0,0,0,2,0|2,0,0]=4 758 B14R2.2 NC(=O)Nc1[n][nH]c2ccccc21 Amb18184038 [0,0,0,0,2,0|2,0,0]=4 759 B14R2.2 NC(=S)Nc1c[nH]c2ccccc12 Amb25730601 [0,0,0,0,2,0|1,1,0]=4 760 B14R2.2 O=C(Cl)Nc1c[nH]c2ccccc12 Amb24518705 [0,0,0,0,2,0|1,0,0]=3 761 B14R2.2 OC(=O)CC1=CCc2c1cccc2 Amb10560558 [0,0,0,0,2,0|2,0,0]=4 762 B14R2.2 OC(=O)Cc1c[nH]c2[n]cccc21 Amb22899482 [0,0,0,0,2,0|2,0,0]=4 763 B14R2.2 OC(=O)Cc1c[nH]c2c1cccc2 Amb10809883 [0,0,0,0,2,0|1,0,0]=3 764 B14R2.2 OC(=O)Cc1c[nH]c2c1cccc2 Amb1645601 [0,0,0,0,2,0|1,0,0]=3 765 B14R2.2 OC(=O)Cc1c[nH]c2c1cccn2 Amb13885005 [0,0,0,0,2,0|2,0,0]=4 766 B14R2.2 OC(=O)Cc1c[nH]c2c1nccc2 Amb16233681 [0,0,0,0,2,0|2,0,0]=4 767 B14R2.2 OC(=O)Cc1c[nH]c2c[n]ccc21 Amb18197006 [0,0,0,0,2,0|2,0,0]=4 768 B14R2.2 OC(=S)Cc1c[nH]c2ccccc21 Amb22732195 [0,0,0,0,2,0|1,0,1]=4 769 B14R2.2 OS(=O)Cc1c[nH]c2ccccc21 Amb25838270 [0,0,0,0,2,0|2,0,0]=4 770 B14R2.2 [O-]C(=O)Cc1c[nH]c2ccccc21 Amb21858178 [0,0,0,0,2,0|1,0,0]=3 771 B14R2.9451 OC(=O)CCc1c[nH]c2[s]ccc12 Amb18189477 [0,0,0,0,2,0|2,0,0]=4 772 B14R2.9451 OC(=O)CCc1c[nH]c2cc[s]c12 Amb18189476 [0,0,0,0,2,0|2,0,0]=4 773 B14R2.31137 CC(=O)CCC1Cc2ccccc21 Amb25720706 [0,0,0,0,2,0|0,0,2]=4 774 B16R1.7414 CC(=O)NCCC(=O)Oc1ccccc1Cl Amb21522889 [0,0,1,0,0,1|2,0,0]=4 775 B16R1.7414 O=C(Nc1ccccc1Cl)CCNC(=O)C Amb16865380 [0,0,1,0,0,1|2,0,0]=4 776 B16R1.7414 O=C(Nc1ccccc1O)CCNC(=O)C Amb11234516 [0,0,1,0,0,1|2,0,0]=4 777 B16R1.10817 CC(=O)NCCNC(=O)c1ccccc1C Amb2366243 [0,0,1,0,0,1|2,0,0]=4 778 B16R1.10817 CC(=O)NCCNC(=O)c1ccccc1I Amb22266057 [0,0,1,0,0,1|2,0,0]=4 779 B16R2.2441 O=CCCCc1cc2ccccc2cc1 Amb18549395 [1,0,0,0,0,1|2,0,0]=4 780 B16R2.2441 O=CNCCc1ccc2ccccc2[n]1 Amb24073056 [1,0,0,0,0,1|1,0,0]=3 781 B16R2.50359 O=CNCCc1cc[n]c2ccccc12 Amb24073079 [1,0,0,0,0,1|0,0,1]=3 782 B18R2.176 CC(C)=CCNCCc1c[nH]c2ccccc12 Amb25512349 [0,0,0,0,0,2|1,0,0]=3 783 B18R2.176 CC(C)CNCCCc1c[nH]c2ccccc12 Amb23557788 [0,0,0,0,0,2|1,0,1]=4 784 B18R2.176 NC(=O)CCCNCc1c[nH]c2ccccc12 Amb23948738 [0,0,0,0,0,2|2,0,0]=4 785 B18R2.176 OC(=O)CCCCCc1c[nH]c2c1cccc2 Amb1107498 [0,0,0,0,0,2|2,0,0]=4 786 B18R2.176 OC(=O)CCNCCc1c[nH]c2ccccc12 Amb24184212 [0,0,0,0,0,2|1,0,0]=3 787 B18R2.9909 CC(=O)CCCSc1ccc2ccccc2[n]1 Amb20918437 [0,0,0,0,0,2|2,0,0]=4 788 B18R2.9909 CC(=O)NCCNc1cc2ccc[n]c2cc1 Amb18270430 [0,0,0,0,0,2|2,0,0]=4 789 B18R2.9909 NC(=O)NCCOc1ccc2c(c1)cccc2 Amb17248951 [0,0,0,0,0,2|2,0,0]=4 790 B18R2.556536 CC(=O)NCCOc1cccc2ccc[n]c21 Amb22283067 [0,0,0,0,0,2|2,0,0]=4 791 B18R2.556536 NC(=O)NCCOc1cccc2c1cccc2 Amb17248953 [0,0,0,0,0,2|2,0,0]=4