0 B16R1.13650 CC(=O)C(Sc1[n]ccc[n]1)C(=O)OCC Amb21978047 [0,0,0,0,0,0|3,0,1]=4 1 B16R1.13650 CC(=O)C(Sc1cccc[n]1)C(=O)OCC Amb21977999 [0,0,0,0,0,0|2,0,1]=3 2 B16R1.13650 CCOC(=O)C(C(=O)C)Oc1ccccc1 Amb17596052 [0,0,0,0,0,0|1,0,1]=2 3 B16R1.13650 CCOC(=O)C(Oc1ccccc1)C(C)C Amb17912815 [0,0,0,0,0,0|2,0,2]=4 4 B16R1.13650 CCOC(=O)N(Cc1ccccc1)C(C)C Amb24630956 [0,0,0,0,0,0|2,0,2]=4 5 B16R1.13650 CCOC(=O)\C(=C/c1ccccc1)\C(=O)O Amb2230566 [0,0,0,0,0,0|1,0,0]=1 6 B15R1.640 CCOC(=O)C(=Cc1c[n]ccc1)C#N Amb24077182 [1,0,0,0,0,0|2,0,1]=4 7 B15R1.640 CCOC(=O)C(=Cc1cc[n]cc1)C#N Amb24077183 [1,0,0,0,0,0|2,0,1]=4 8 B15R1.640 CCOC(=O)C(Cc1ccccc1)C=O Amb23441824 [1,0,0,0,0,0|0,0,2]=3 9 B15R1.640 CCOC(=O)C(Cc1ccccc1)NC Amb19287768 [1,0,0,0,0,0|1,0,2]=4 10 B15R1.640 CCOC(=O)C(Cc1ccccc1)NC Amb22058808 [1,0,0,0,0,0|1,0,2]=4 11 B15R1.4686 CNC(=O)C(=Cc1ccccc1)C(O)=O Amb22473223 [1,0,0,0,0,0|2,0,0]=3 12 B15R1.4686 COC(=O)C(C(=O)O)Nc1ccccc1 Amb1090612 [1,0,0,0,0,0|2,0,1]=4 13 B15R1.4686 COC(=O)\C(=C/c1ccccc1)\C(=O)C Amb10976900 [1,0,0,0,0,0|0,0,0]=1 14 B15R1.4686 COC(=O)\C(=C/c1ccccc1)\C(=O)O Amb2230565 [1,0,0,0,0,0|1,0,0]=2 15 B15R1.4686 COC(=O)\C(=C/c1ccccc1)\[N+](=O)[O-] Amb16228284 [1,0,0,0,0,0|2,0,0]=3 16 B15R1.4686 N=C(/C)\C(=C/c1ccccc1)\C(=O)OC Amb20663604 [1,0,0,0,0,0|1,0,0]=2 17 B17R1.18485 CCOC(=O)C(C(=O)C)Cc1cccc(c1)C Amb17251419 [0,1,0,0,0,0|0,0,2]=3 18 B17R1.18485 CCOC(=O)C(C(=O)C)Cc1cccc(c1)Cl Amb17264115 [0,1,0,0,0,0|0,0,2]=3 19 B17R1.18491 CCOC(=O)C(=Cc1ccccc1)S(N)(=O)=O Amb22472654 [0,1,0,0,0,0|2,0,0]=3 20 B17R1.18493 CCOC(=O)C(C(=O)C)Cc1ccccc1C Amb17251417 [0,1,0,0,0,0|0,0,2]=3 21 B17R1.21041 CC(C)C(C(=O)OCC)C(=O)c1ccccc1 Amb22059002 [0,1,0,0,0,0|1,0,2]=4 22 B17R1.21041 CCOC(=O)C(C(=O)c1ccccc1)C(=O)C Amb1950560 [0,1,0,0,0,0|0,0,1]=2 23 B17R1.21042 CC(=O)C(Oc1ccc(C)cc1)C(=O)OCC Amb22285051 [0,1,0,0,0,0|1,0,1]=3 24 B17R1.21042 CCOC(=O)C(C(=O)C)Cc1ccc(cc1)Br Amb17294896 [0,1,0,0,0,0|0,0,2]=3 25 B17R1.21042 CCOC(=O)C(C(=O)C)Cc1ccc(cc1)F Amb2440987 [0,1,0,0,0,0|0,0,2]=3 26 B17R1.21042 CCOC(=O)C(C(=O)C)Oc1ccc(cc1)Cl Amb17621605 [0,1,0,0,0,0|1,0,1]=3 27 B17R1.21042 CCOC(=O)\C(=C\c1ccc(cc1)O)\C(=O)C Amb1631361 [0,1,0,0,0,0|0,0,0]=1 28 B17R1.127455 CCOC(=O)C(C(=O)C)(Cc1ccccc1)C Amb17251416 [0,1,0,0,0,0|0,0,2]=3 29 B17R2.3353 CN1OC(=O)C(C(O)=O)=C1c2c[n]ccc2 Amb18068022 [0,0,0,1,0,0|3,0,0]=4 30 B17R2.3353 CN1OC(=O)C(C(O)=O)=C1c2cc[n]cc2 Amb18068023 [0,0,0,1,0,0|3,0,0]=4 31 B17R2.3353 CN1OC(=O)C(C(O)=O)=C1c2cccc[n]2 Amb18068020 [0,0,0,1,0,0|3,0,0]=4 32 B17R2.3353 CN1OC(=O)C(C(O)=O)=C1c2ccccc2 Amb18067464 [0,0,0,1,0,0|2,0,0]=3 33 B17R2.3805 O=C1CCCNC(=O)N1Cc2ccccc2 Amb24644497 [0,0,0,1,0,0|2,0,1]=4 34 B17R2.4716 CCOc1cc2ccccc2cc1C(=O)N Amb1086621 [0,0,0,1,0,0|2,0,0]=3 35 B17R2.4716 CCOc1nc2ccccc2nc1C(=O)O Amb15695307 [0,0,0,1,0,0|3,0,0]=4 36 B17R2.16326 CC(=O)C1=Nc2ccccc2N(CC)C1=O Amb21884600 [0,0,0,1,0,0|2,0,0]=3 37 B17R2.16326 CCN1c2ccccc2C=C(C(O)=O)C1=O Amb20414180 [0,0,0,1,0,0|2,0,0]=3 38 B17R2.16326 CCN1c2ccccc2N=C(C(O)=O)C1=O Amb20407017 [0,0,0,1,0,0|3,0,0]=4 39 B17R2.50008 CC=1Oc2ccccc2CC1C(=O)OCC Amb24065769 [0,0,0,1,0,0|0,0,2]=3 40 B17R2.50008 CCCC(=O)C1=Cc2ccccc2OC1=O Amb19665102 [0,0,0,1,0,0|2,0,0]=3 41 B17R2.50008 CCOC(=O)C1=Cc2ccc[n]c2NC1=O Amb18023997 [0,0,0,1,0,0|2,0,0]=3 42 B17R2.50008 CCOC(=O)C1=Cc2ccccc2NC1=O Amb20027958 [0,0,0,1,0,0|1,0,0]=2 43 B17R2.50008 CCOC(=O)C1=Cc2ccccc2OC1=N Amb20664888 [0,0,0,1,0,0|1,0,1]=3 44 B17R2.50008 CCOC(=O)C1=Cc2ccccc2OC1=O Amb19665021 [0,0,0,1,0,0|1,0,0]=2 45 B17R2.50008 CCOC(=O)C1=Cc2ccccc2OC1=S Amb21948588 [0,0,0,1,0,0|1,0,1]=3 46 B17R2.50008 CCOC(=O)C1=Nc2ccccc2NC1=O Amb19667291 [0,0,0,1,0,0|2,0,0]=3 47 B17R2.50008 CCOC(=O)C1Cc2ccccc2NC1=O Amb20075991 [0,0,0,1,0,0|1,0,2]=4 48 B17R2.50008 CCOC(=O)C1Oc2ccccc2NC1=O Amb10074165 [0,0,0,1,0,0|2,0,1]=4 49 B17R2.50008 CCOC(=O)C1Sc2ccccc2NC1=O Amb21959337 [0,0,0,1,0,0|2,0,1]=4 50 B17R2.50008 CCOC(=O)C1Sc2ccccc2NC1=O Amb2445297 [0,0,0,1,0,0|2,0,1]=4 51 B17R2.50008 CCOC(=O)[C-]1Sc2ccccc2NC1=O Amb22453595 [0,0,0,1,0,0|2,0,1]=4 52 B17R2.50008 CCOC(=O)c1cc2ccc[n]c2[n]c1N Amb18658077 [0,0,0,1,0,0|3,0,0]=4 53 B17R2.50008 CCOC(=O)c1cc2ccccc2[n]c1O Amb19895257 [0,0,0,1,0,0|1,0,1]=3 54 B17R2.50008 CCOC(=O)c1cc2ccccc2cc1O Amb1205552 [0,0,0,1,0,0|0,0,2]=3 55 B17R2.50008 CCOC(=O)c1cc2ccccc2nc1C Amb1799203 [0,0,0,1,0,0|1,0,0]=2 56 B17R2.50008 CCOC(=O)c1cc2ccccc2nc1N Amb1084711 [0,0,0,1,0,0|2,0,0]=3 57 B17R2.50008 CCOC(=O)c1nc2ccccc2nc1Cl Amb13892081 [0,0,0,1,0,0|3,0,0]=4 58 B17R2.50008 CCOC(=O)c1nc2ccccc2nc1O Amb2223389 [0,0,0,1,0,0|2,0,1]=4 59 B17R2.50008 CCOC(=O)c1nc2ccccc2oc1=O Amb16720764 [0,0,0,1,0,0|2,0,0]=3 60 B17R2.50008 CCSC(=O)C1=Cc2ccccc2OC1=O Amb19517273 [0,0,0,1,0,0|1,1,0]=3 61 B17R2.50008 COCC(=O)C1=Cc2ccccc2OC1=O Amb21928469 [0,0,0,1,0,0|3,0,0]=4 62 B17R2.50008 CONC(=O)C1=Cc2ccccc2OC1=O Amb19546457 [0,0,0,1,0,0|3,0,0]=4 63 B17R2.50008 C\C(=N/CC)\C1=Cc2ccccc2OC1=O Amb20661873 [0,0,0,1,0,0|3,0,0]=4 64 B17R2.50008 Cc1cc2ccccc2[n]c1C(=O)OCC Amb22498219 [0,0,0,1,0,0|2,0,0]=3 65 B17R2.50008 Cc1cc2ccccc2cc1C(=O)OCC Amb23526617 [0,0,0,1,0,0|1,0,0]=2 66 B15R1.9713 CCOC(=O)\C(=C\c1ccco1)\C(=O)C Amb1145650 [0,0,0,0,1,0|1,0,0]=2 67 B15R1.9922 CC(=O)C(C(=O)OCC)c1ccc[n]c1 Amb22492456 [0,0,0,0,1,0|1,0,1]=3 68 B17R1.5389 CC(=O)N(Cc1ccccc1)CC(=O)OCC Amb24599961 [0,0,0,0,0,1|1,0,1]=3 69 B17R1.5402 CC(=C)C(NCc1ccccc1)C(=O)OCC Amb25247078 [0,0,0,0,0,1|1,0,2]=4 70 B17R1.5402 CC(=O)C(CCc1ccccc1)C(=O)OCC Amb19652167 [0,0,0,0,0,1|0,0,2]=3 71 B17R1.5402 CC(=O)C(OCc1ccccc1)C(=O)OCC Amb24333300 [0,0,0,0,0,1|0,0,2]=3 72 B17R1.5402 CC(=O)\C(=C\Nc1ccccc1)\C(=O)OCC Amb20000503 [0,0,0,0,0,1|0,0,0]=1 73 B17R1.5402 CCOC(=O)\C(=C\Nc1ccccc1)\[N+](=O)[O-] Amb1032677 [0,0,0,0,0,1|2,0,0]=3 74 B17R1.5402 CCOC(=O)\C(=N\Nc1ccccc1)\C(=O)C Amb1196008 [0,0,0,0,0,1|1,0,0]=2 75 B17R1.18492 CC(=O)S[C@@H](Cc1ccccc1)C(=O)OCC Amb19132230 [0,0,0,0,0,1|0,0,2]=3 76 B17R1.18492 CCOC(=O)[C@H](Cc1ccccc1)NC(=O)C Amb10844846 [0,0,0,0,0,1|0,0,2]=3 77 B17R1.18492 CCOC(=O)\C(=C/c1ccccc1)\CC(=O)O Amb16209852 [0,0,0,0,0,1|1,0,0]=2 78 B14R1.60 CCCC(=O)C(=O)Nc1ccccc1 Amb25706664 [2,0,0,0,0,0|2,0,0]=4 79 B14R1.60 CCNC(=O)C(=O)Cc1ccccc1 Amb17401495 [2,0,0,0,0,0|1,0,1]=4 80 B14R1.60 CCNC(=O)C(=O)Nc1ccccc1 Amb1814008 [2,0,0,0,0,0|2,0,0]=4 81 B14R1.60 CCOC(=O)C(=O)Nc1ccccc1 Amb1196006 [2,0,0,0,0,0|1,0,0]=3 82 B14R1.60 CCOC(=O)C(=O)Oc1cccc[n]1 Amb24103622 [2,0,0,0,0,0|2,0,0]=4 83 B14R1.60 CCOC(=O)C(C)Nc1ccccc1 Amb19051002 [2,0,0,0,0,0|1,0,1]=4 84 B14R1.60 CCOC(=O)C([O-])=Cc1cc[n]cc1 Amb19506687 [2,0,0,0,0,0|1,0,1]=4 85 B14R1.60 CCOC(=O)\C(=C/c1ccccc1)\C Amb10976899 [2,0,0,0,0,0|0,0,0]=2 86 B14R1.60 CCOC(=O)\C(=C\c1ccccc1)\Br Amb2573602 [2,0,0,0,0,0|1,0,0]=3 87 B14R1.467 CCCC\C(\C=O)=C\c1ccccc1 Amb22732853 [2,0,0,0,0,0|1,0,1]=4 88 B14R1.1031 CNC(=O)\C(=C\c1ccccc1)\SC Amb24741845 [2,0,0,0,0,0|2,0,0]=4 89 B14R1.1031 COC(=O)\C(=C\c1ccccc1)\C#N Amb10844663 [2,0,0,0,0,0|1,0,1]=4 90 B14R1.1031 COC(=O)\C(\CBr)=C\c1ccccc1 Amb21959582 [2,0,0,0,0,0|1,0,1]=4 91 B14R1.1031 COC(=O)\C(\CN)=C\c1ccccc1 Amb18650860 [2,0,0,0,0,0|1,0,1]=4 92 B14R1.1031 C\C=C(/Sc1ccccc1)\C(=O)NC Amb25269555 [2,0,0,0,0,0|2,0,0]=4 93 B14R1.4513 CC(=N)\C(=C\c1ccccc1)\C(O)=O Amb24512212 [2,0,0,0,0,0|1,0,0]=3 94 B14R1.4513 CC(=O)C(=Nc1ccccc1)C(C)=O Amb22232232 [2,0,0,0,0,0|1,0,0]=3 95 B14R1.4513 CC(=O)C(Cc1ccccc1)C(C)=O Amb17778962 [2,0,0,0,0,0|0,0,2]=4 96 B14R1.4513 CC(=O)C(Nc1ccccc1)C(C)=O Amb25744558 [2,0,0,0,0,0|1,0,1]=4 97 B14R1.4513 CC(=O)\C(=C/c1ccccc1)\C(C)O Amb24353112 [2,0,0,0,0,0|0,0,2]=4 98 B14R1.4513 CC(=O)\C(=C/c1ccccc1)\[C@@H](C)O Amb25357626 [2,0,0,0,0,0|0,0,2]=4 99 B14R1.4513 CC(=O)\C(=C/c1ccccc1)\[C@H](C)O Amb25045756 [2,0,0,0,0,0|0,0,2]=4 100 B14R1.4513 CC(=O)\C(\Cc1ccccc1)=C(/C)\N Amb24571680 [2,0,0,0,0,0|1,0,1]=4 101 B14R1.4513 CC(=O)\C(\Cc1ccccc1)=C(/C)\O Amb25236905 [2,0,0,0,0,0|0,0,2]=4 102 B14R1.4513 CC(=O)\C(\Sc1ccccc1)=C(/C)\N Amb24561258 [2,0,0,0,0,0|2,0,0]=4 103 B14R1.4513 CC(C)=C(Oc1ccccc1)C(O)=O Amb18651146 [2,0,0,0,0,0|2,0,0]=4 104 B14R1.4513 CC(C)=C(Sc1ccccc1)C(O)=O Amb18656292 [2,0,0,0,0,0|2,0,0]=4 105 B14R1.4513 CC(\C(=C/c1ccccc1)\C(=O)O)C Amb17234888 [2,0,0,0,0,0|1,0,1]=4 106 B14R1.4513 CS(=O)\C(=C\c1ccccc1)\C(O)=O Amb24513090 [2,0,0,0,0,0|1,0,0]=3 107 B14R1.4513 C\C(=C(\C(=O)C)/Sc1ccccc1)\N Amb2417842 [2,0,0,0,0,0|2,0,0]=4 108 B14R1.4513 OC(=O)C(=Cc1c[n]ccc1)C(O)=O Amb25809321 [2,0,0,0,0,0|2,0,0]=4 109 B14R1.4513 OC(=O)C(=Cc1cc[n]cc1)C(O)=O Amb24498152 [2,0,0,0,0,0|2,0,0]=4 110 B14R1.4513 OC(=O)C(=Cc1ccccc1)C(=O)O Amb17595021 [2,0,0,0,0,0|1,0,0]=3 111 B16R1.126 CC\C(=C/c1ccccc1)\C(=O)NCCC Amb16799199 [1,1,0,0,0,0|1,0,1]=4 112 B16R1.743 CCOC(=O)C(=Cc1ccc(F)cc1)C#N Amb24181852 [1,1,0,0,0,0|1,0,1]=4 113 B16R1.743 CCOC(=O)\C(=C\c1ccc(cc1)Cl)\C#N Amb1638977 [1,1,0,0,0,0|1,0,1]=4 114 B16R1.743 CCOC(=O)\C(=C\c1ccc(cc1)F)\C#N Amb1696271 [1,1,0,0,0,0|1,0,1]=4 115 B16R1.743 CCOC(=O)\C(=C\c1ccc(cc1)N)\C#N Amb1196685 [1,1,0,0,0,0|1,0,1]=4 116 B16R1.744 CCOC(=O)\C(=C\c1cccc(c1)O)\C#N Amb2563374 [1,1,0,0,0,0|1,0,1]=4 117 B16R1.750 CC\C(=C/c1ccccc1)\C(=O)NC(C)C Amb16799200 [1,1,0,0,0,0|1,0,1]=4 118 B16R1.951 CCC(C(=O)OCC)C(=O)c1ccccc1 Amb22059001 [1,1,0,0,0,0|0,0,2]=4 119 B16R1.951 CCOC(=O)\C(=C(\c1ccccc1)/C)\C#N Amb1545489 [1,1,0,0,0,0|1,0,1]=4 120 B16R1.951 CCOC(=O)\C(=C(\c1ccccc1)/O)\C#N Amb2496470 [1,1,0,0,0,0|1,0,1]=4 121 B16R1.951 C\C(\c1ccccc1)=C(/C#N)\C(=O)OCC Amb22736534 [1,1,0,0,0,0|1,0,1]=4 122 B16R1.15117 CCOC(=O)\C(=C\c1ccccc1O)\C#N Amb2227963 [1,1,0,0,0,0|1,0,1]=4 123 B16R1.5823 COC(=O)C(C(=O)OC)Cc1ccccc1 Amb15692543 [1,1,0,0,0,0|0,0,2]=4 124 B16R1.5823 COC(=O)C(C(=O)OC)Oc1ccccc1 Amb17406518 [1,1,0,0,0,0|1,0,1]=4 125 B16R1.16686 CC(=O)\C(\C(=O)c1ccccc1)=C(\C)/OC Amb24119185 [1,1,0,0,0,0|1,0,0]=3 126 B16R1.16687 CC(=O)N(Nc1ccc(Cl)cc1)C(=O)OC Amb22447815 [1,1,0,0,0,0|2,0,0]=4 127 B16R1.16687 COC(=O)\C(=C/c1ccc(cc1)Cl)\[N+](=O)[O-] Amb11013485 [1,1,0,0,0,0|2,0,0]=4 128 B16R1.14052 CCOC(=O)N(C(N)=O)c1ccccc1Cl Amb24089613 [0,1,0,0,1,0|2,0,0]=4 129 B18R1.5634 CCC(=O)N(CC(=O)OCC)Cc1ccccc1 Amb19415629 [0,1,0,0,0,1|1,0,1]=4 130 B18R1.5658 CC(=O)C(=CNc1cccc(F)[n]1)C(=O)OCC Amb22447804 [0,1,0,0,0,1|1,0,0]=3 131 B18R1.5658 CCOC(=O)\C(=N\Nc1cccc(c1)C)\C(=O)C Amb1625191 [0,1,0,0,0,1|1,0,0]=3 132 B18R1.5664 CCOC(=O)C(=NNc1ccccc1)C(=O)CCl Amb24056058 [0,1,0,0,0,1|1,0,0]=3 133 B18R1.5664 CCOC(=O)\C(=N\Nc1ccccc1)\C(=O)CCl Amb2468716 [0,1,0,0,0,1|1,0,0]=3 134 B18R1.5667 CCOC(=O)\C(=N\Nc1ccccc1C)\C(=O)C Amb1625190 [0,1,0,0,0,1|1,0,0]=3 135 B18R1.5667 CCOC(=O)\C(=N\Nc1ccccc1Cl)\C(=O)C Amb1625193 [0,1,0,0,0,1|1,0,0]=3 136 B18R1.25485 CC(=O)\C(=C/Nc1ccc(O)cc1)\C(=O)OCC Amb22493005 [0,1,0,0,0,1|0,0,0]=2 137 B18R1.25485 CC(=O)\C(=C\Nc1ccc(Cl)cc1)\C(=O)OCC Amb19748189 [0,1,0,0,0,1|0,0,0]=2 138 B18R1.25485 CCOC(=O)\C(=N/Nc1ccc(cc1)O)\C(=O)C Amb16200424 [0,1,0,0,0,1|1,0,0]=3 139 B18R1.25485 CCOC(=O)\C(=N\Nc1ccc(cc1)Br)\C(=O)C Amb1625195 [0,1,0,0,0,1|1,0,0]=3 140 B18R1.25485 CCOC(=O)\C(=N\Nc1ccc(cc1)F)\C(=O)C Amb1625194 [0,1,0,0,0,1|1,0,0]=3 141 B18R1.29027 CCOC(=O)C(=C(C)C)NC(=O)c1ccccc1 Amb16760337 [0,1,0,0,0,1|1,0,0]=3 142 B18R1.29027 CCOC(=O)C(C(=O)C)CC(=O)c1ccccc1 Amb10131240 [0,1,0,0,0,1|0,0,1]=3 143 B18R1.24220 CCOC(=O)C(Cc1ccccc1)NC(=O)CCl Amb17329213 [0,1,0,0,0,1|0,0,2]=4 144 B18R1.24250 CCOC(=O)C(Cc1ccccc1F)NC(=O)C Amb16192418 [0,1,0,0,0,1|0,0,2]=4 145 B18R1.25483 CCOC(=O)C(C(c1ccccc1)O)NC(=O)C Amb2228467 [0,1,0,0,0,1|0,0,2]=4 146 B18R1.25483 CCOC(=O)\C(=C\N(C)C)\C(=O)c1ccccc1 Amb22641859 [0,1,0,0,0,1|2,0,0]=4 147 B18R1.28793 CCOC(=O)C(Cc1ccc(cc1)F)NC(=O)C Amb16192419 [0,1,0,0,0,1|0,0,2]=4 148 B18R1.28793 CCOC(=O)\C(=C\c1ccc(cc1)F)\NC(=O)C Amb1023185 [0,1,0,0,0,1|0,0,0]=2 149 B18R1.28793 CCOC(=O)\C(\CC(O)=O)=C\c1ccc(F)cc1 Amb22232429 [0,1,0,0,0,1|1,0,0]=3 150 B18R1.37145 CC(OC(=O)\C(=C/c1ccccc1)\NC(=O)C)C Amb1028000 [0,1,0,0,0,1|0,0,0]=2 151 B18R1.24212 CCOC(=O)C(C(=O)C)Cc1cc(C)ccc1C Amb17259965 [0,2,0,0,0,0|0,0,2]=4 152 B18R1.24222 CC(=O)C(=Cc1cc(Cl)cc(Cl)c1)C(=O)OCC Amb22477564 [0,2,0,0,0,0|0,0,0]=2 153 B18R1.24244 CCOC(=O)\C(=C\c1cccc(c1)OC)\C(=O)C Amb17259829 [0,2,0,0,0,0|0,0,0]=2 154 B18R1.24257 CC(=O)C(=Cc1cc(Cl)c(Cl)cc1)C(=O)OCC Amb22434251 [0,2,0,0,0,0|0,0,0]=2 155 B18R1.220398 CCOC(=O)C(C(=O)C)(Cc1cccc(c1)C)C Amb17259935 [0,2,0,0,0,0|0,0,2]=4 156 B18R1.220398 CCOC(=O)C(C(=O)C)(Cc1cccc(c1)Cl)C Amb17273675 [0,2,0,0,0,0|0,0,2]=4 157 B18R1.24221 CCOC(=O)C(=Cc1cccc[n]1)C(=O)OCC Amb22741058 [0,2,0,0,0,0|1,0,0]=3 158 B18R1.24221 CCOC(=O)C(=Cc1ccncc1)C(=O)OCC Amb1091174 [0,2,0,0,0,0|1,0,0]=3 159 B18R1.24221 CCOC(=O)C(=Cc1ccncc1)C(=O)OCC Amb2137214 [0,2,0,0,0,0|1,0,0]=3 160 B18R1.24221 CCOC(=O)C(C(=O)OCC)Oc1ccccc1 Amb1196341 [0,2,0,0,0,0|1,0,1]=4 161 B18R1.25474 CCOC(=O)\C(=C(/NC)\N)\C(=O)c1ccccc1 Amb1848377 [0,2,0,0,0,0|1,0,0]=3 162 B18R1.25474 C\C(\NC)=C(/C(=O)OCC)\C(=O)c1ccccc1 Amb19651441 [0,2,0,0,0,0|1,0,0]=3 163 B18R1.195276 CC(=O)C(=Cc1ccc(F)cc1F)C(=O)OCC Amb22478514 [0,2,0,0,0,0|0,0,0]=2 164 B18R1.195276 CCOC(=O)C(C(=O)C)Cc1ccc(cc1C)C Amb17259967 [0,2,0,0,0,0|0,0,2]=4 165 B18R1.195276 CCOC(=O)C(C(=O)C)Cc1ccc(cc1Cl)Cl Amb2422579 [0,2,0,0,0,0|0,0,2]=4 166 B18R1.214483 CCOC(=O)\C(=C\c1ccccc1OC)\C(=O)C Amb17259828 [0,2,0,0,0,0|0,0,0]=2 167 B18R1.220407 CCOC(=O)C(C(=O)C)(Cc1ccccc1C)C Amb17259934 [0,2,0,0,0,0|0,0,2]=4 168 B18R1.220407 CCOC(=O)C(C(=O)C)(Cc1ccccc1Cl)C Amb17273674 [0,2,0,0,0,0|0,0,2]=4 169 B18R1.220407 CCOC(=O)C(C(=O)C)(Cc1ccccc1F)C Amb17262667 [0,2,0,0,0,0|0,0,2]=4 170 B18R1.747842 CCOC(=O)C(C(=O)C)Cc1c(F)cccc1Cl Amb2410583 [0,2,0,0,0,0|0,0,2]=4 171 B18R1.30122 CC(=O)C(C(=O)OCC)S(=O)(=O)c1ccccc1 Amb21977996 [0,2,0,0,0,0|1,0,1]=4 172 B18R1.24233 CC(=O)\C(=C\c1ccc(cc1)OC)\C(=O)OCC Amb23535244 [0,2,0,0,0,0|0,0,0]=2 173 B18R1.24233 CCOC(=O)C(C(=O)C)Oc1ccc(cc1)OC Amb17621614 [0,2,0,0,0,0|1,0,1]=4 174 B18R1.24233 CCOC(=O)\C(=C\c1ccc(cc1)CC)\C(=O)C Amb17258364 [0,2,0,0,0,0|0,0,0]=2 175 B18R1.220391 CCOC(=O)C(C(=O)C)(Cc1ccc(cc1)C)C Amb17259936 [0,2,0,0,0,0|0,0,2]=4 176 B18R1.220391 CCOC(=O)C(C(=O)C)(Cc1ccc(cc1)Cl)C Amb17273676 [0,2,0,0,0,0|0,0,2]=4 177 B18R1.220391 CCOC(=O)C(C(=O)C)(Cc1ccc(cc1)F)C Amb17262668 [0,2,0,0,0,0|0,0,2]=4 178 B18R1.105542 CC(=O)N(Cc1ccccc1)C(=O)OC(C)(C)C Amb25663852 [0,2,0,0,0,0|1,0,1]=4 179 B16R2.64 CCSc1nc2ccccc2cc1C=O Amb2432681 [1,0,0,1,0,0|1,1,0]=4 180 B16R2.64 COc1cc2ccccc2[n]c1OCC Amb24104408 [1,0,0,1,0,0|2,0,0]=4 181 B16R2.757 CCNC(=O)c1cc2c(n1C)cccc2 Amb11448360 [1,0,0,1,0,0|2,0,0]=4 182 B16R2.757 CCOC(=O)C1Cc2ccccc2C1=O Amb20623008 [1,0,0,1,0,0|0,0,2]=4 183 B16R2.757 CCOC(=O)C1Nc2c(C1=O)cccc2 Amb17595470 [1,0,0,1,0,0|1,0,1]=4 184 B16R2.757 CCOC(=O)c1[nH]c2c(c1Br)cccc2 Amb2234885 [1,0,0,1,0,0|2,0,0]=4 185 B16R2.757 CCOC(=O)c1[nH]c2c(c1Cl)cccc2 Amb14020624 [1,0,0,1,0,0|2,0,0]=4 186 B16R2.757 CCOC(=O)c1[nH]c2c(c1O)cccc2 Amb2371626 [1,0,0,1,0,0|1,0,1]=4 187 B16R2.757 CCOC(=O)c1[nH]c2ccccc2c1C Amb17937476 [1,0,0,1,0,0|1,0,0]=3 188 B16R2.757 CCOC(=O)c1[nH]c2ccccc2c1I Amb21927403 [1,0,0,1,0,0|2,0,0]=4 189 B16R2.757 CCOC(=O)c1[n]c2ccccc2[n]1C Amb21857358 [1,0,0,1,0,0|2,0,0]=4 190 B16R2.757 CCOC(=O)c1[s]c2ccccc2c1N Amb22492017 [1,0,0,1,0,0|2,0,0]=4 191 B16R2.757 CCOC(=O)c1cc2c(n1C)cccc2 Amb1787765 [1,0,0,1,0,0|1,0,0]=3 192 B16R2.757 CCOC(=O)c1cc2cc[n]cc2[n]1C Amb24069759 [1,0,0,1,0,0|2,0,0]=4 193 B16R2.757 CCOC(=O)c1cc2ccc[n]c2[n]1C Amb22494102 [1,0,0,1,0,0|2,0,0]=4 194 B16R2.757 CCOC(=O)c1oc2c(c1N)cccc2 Amb1216592 [1,0,0,1,0,0|2,0,0]=4 195 B16R2.757 CCOC(=O)c1oc2ccccc2c1O Amb22285078 [1,0,0,1,0,0|1,0,1]=4 196 B16R2.757 CCO\C(\N)=C\1/Sc2ccccc2C1=O Amb24068337 [1,0,0,1,0,0|2,0,0]=4 197 B16R2.757 Cc1c([n]c2cccc[n]12)C(=O)OCC Amb24095578 [1,0,0,1,0,0|2,0,0]=4 198 B16R2.757 Cc1c2ccccc2[s]c1C(=O)OCC Amb24367395 [1,0,0,1,0,0|1,0,0]=3 199 B16R2.767 CCCC(=O)c1cc2ccccc2[n]c1 Amb19056469 [1,0,0,1,0,0|2,0,0]=4 200 B16R2.767 CCCC(=O)c1cc2ccccc2cc1 Amb19067000 [1,0,0,1,0,0|1,0,1]=4 201 B16R2.767 CCNC(=O)c1cc2ccccc2cc1 Amb22285015 [1,0,0,1,0,0|1,0,1]=4 202 B16R2.767 CCOC(=N)c1cc2ccccc2cc1 Amb19056471 [1,0,0,1,0,0|1,0,1]=4 203 B16R2.767 CCOC(=O)C1=CNc2ccccc2N1 Amb23523147 [1,0,0,1,0,0|2,0,0]=4 204 B16R2.767 CCOC(=O)C1=CNc2ccccc2S1 Amb20283033 [1,0,0,1,0,0|2,0,0]=4 205 B16R2.767 CCOC(=O)C1=Cc2c(OC1)cccc2 Amb13995995 [1,0,0,1,0,0|0,0,2]=4 206 B16R2.767 CCOC(=O)c1c[n]c2c[n]ccc2c1 Amb20241506 [1,0,0,1,0,0|2,0,0]=4 207 B16R2.767 CCOC(=O)c1c[n]c2ccc[n]c2c1 Amb22757404 [1,0,0,1,0,0|2,0,0]=4 208 B16R2.767 CCOC(=O)c1cc2c[n]ccc2cc1 Amb21857738 [1,0,0,1,0,0|1,0,1]=4 209 B16R2.767 CCOC(=O)c1cc2cc[n]cc2cc1 Amb17933379 [1,0,0,1,0,0|1,0,1]=4 210 B16R2.767 CCOC(=O)c1cc2ccc[n]c2cc1 Amb19039734 [1,0,0,1,0,0|1,0,1]=4 211 B16R2.767 CCOC(=O)c1cc2ccccc2[n][n]1 Amb22903248 [1,0,0,1,0,0|2,0,0]=4 212 B16R2.767 CCOC(=O)c1ccc2c(c1)nccc2 Amb10554171 [1,0,0,1,0,0|1,0,1]=4 213 B16R2.767 CCOC(=O)c1ccc2c(n1)cccc2 Amb1088900 [1,0,0,1,0,0|1,0,1]=4 214 B16R2.2900 CC1=C(Cc2ccccc2)C(=O)ON1C Amb22462478 [1,0,0,1,0,0|1,0,1]=4 215 B16R2.37487 CCN1c2ccccc2C=C(C=O)C1=O Amb19879006 [1,0,0,1,0,0|1,0,0]=3 216 B16R2.37487 O=Cc1cc2ccccc2n(c1=O)CC Amb2584204 [1,0,0,1,0,0|1,0,0]=3 217 B16R2.1056 CC\N=C\C1=Cc2ccccc2NC1=O Amb19931548 [1,0,0,1,0,0|2,0,0]=4 218 B16R2.3529 CCOc1c(oc2ccccc12)C(O)=O Amb18655252 [1,0,0,1,0,0|2,0,0]=4 219 B16R2.1612 CC(=O)c1cc2ccccc2cc1OC Amb23438006 [1,0,0,1,0,0|1,0,0]=3 220 B16R2.1612 COc1cc2ccccc2cc1C(=O)N Amb2283897 [1,0,0,1,0,0|2,0,0]=4 221 B16R2.1612 COc1cc2ccccc2cc1C(=O)O Amb1102775 [1,0,0,1,0,0|2,0,0]=4 222 B16R2.5963 CC(=O)N1C(=O)CCN1c2ccccc2 Amb1834263 [1,0,0,1,0,0|2,0,0]=4 223 B16R2.5963 CC(=O)N1[C@@H](COC1=O)c2ccccc2 Amb22225049 [1,0,0,1,0,0|1,0,1]=4 224 B16R2.33941 CCC(=O)C1=Cc2ccccc2OC1=O Amb19886970 [1,0,0,1,0,0|1,0,0]=3 225 B16R2.33941 CNC(=O)C1=Cc2ccccc2OC1=O Amb19751064 [1,0,0,1,0,0|2,0,0]=4 226 B16R2.33941 COC(=O)C1=Cc2ccccc2NC1=O Amb20247345 [1,0,0,1,0,0|1,0,0]=3 227 B16R2.33941 COC(=O)C1=Cc2ccccc2OC1=O Amb18526326 [1,0,0,1,0,0|1,0,0]=3 228 B16R2.33941 COC(=O)c1cc2ccccc2[n]c1Cl Amb19373709 [1,0,0,1,0,0|2,0,0]=4 229 B16R2.33941 COC(=O)c1cc2ccccc2[n]c1N Amb18653823 [1,0,0,1,0,0|2,0,0]=4 230 B16R2.33941 COC(=O)c1cc2ccccc2nc1C Amb10622659 [1,0,0,1,0,0|1,0,0]=3 231 B16R2.33941 Cc1cc2ccccc2[n]c1C(=O)OC Amb22498216 [1,0,0,1,0,0|2,0,0]=4 232 B16R2.33941 NCC(=O)C1=Cc2ccccc2OC1=O Amb18531767 [1,0,0,1,0,0|2,0,0]=4 233 B16R2.33941 O=C1Oc2ccccc2C=C1C(=O)CBr Amb18526858 [1,0,0,1,0,0|2,0,0]=4 234 B16R2.33941 O=C1Oc2ccccc2C=C1C(=O)CCl Amb20663256 [1,0,0,1,0,0|2,0,0]=4 235 B16R2.83668 CN1c2ccccc2C=C(C(O)=O)C1=O Amb19516776 [1,0,0,1,0,0|2,0,0]=4 236 B16R2.586 CCOC=1NNC(=O)C1c2ccccc2 Amb24062001 [0,0,0,1,1,0|2,0,0]=4 237 B16R2.3279 O=C1CCCCC(=O)C1c2ccccc2 Amb17595376 [0,0,0,1,1,0|1,0,1]=4 238 B16R2.29842 CCOC(=O)C1C(=O)Cc2c1cccc2 Amb17595433 [0,0,0,1,1,0|0,0,1]=3 239 B16R2.29842 CCOC(=O)N1c2ccccc2OC1=O Amb19666919 [0,0,0,1,1,0|2,0,0]=4 240 B16R2.29842 CCOC(=O)N1c2ccccc2SC1=O Amb22342852 [0,0,0,1,1,0|2,0,0]=4 241 B16R2.29842 CCOC(=O)[n]1c2ccccc2[nH]c1=O Amb24066471 [0,0,0,1,1,0|2,0,0]=4 242 B16R2.29842 CCOC(=O)c1c(C)cc2n1cccc2 Amb10144 [0,0,0,1,1,0|2,0,0]=4 243 B16R2.29842 CCOC(=O)c1c(C)nc2n1cccc2 Amb1541117 [0,0,0,1,1,0|2,0,0]=4 244 B16R2.29842 CCOC(=O)c1c(C)nc2n1cccc2 Amb17602702 [0,0,0,1,1,0|2,0,0]=4 245 B16R2.29842 CCOC(=O)c1c(N)[nH]c2ccccc21 Amb19958498 [0,0,0,1,1,0|2,0,0]=4 246 B16R2.29842 CCOC(=O)n1c(=O)oc2c1cccc2 Amb1018259 [0,0,0,1,1,0|2,0,0]=4 247 B16R2.29842 CCOC(=O)n1c(=O)oc2c1cccc2 Amb16205824 [0,0,0,1,1,0|2,0,0]=4 248 B16R2.29842 Cc1[n][n]2ccccc2c1C(=O)OCC Amb19516449 [0,0,0,1,1,0|2,0,0]=4 249 B16R2.29842 Cc1[n]c2ccccc2[n]1C(=O)OCC Amb19852881 [0,0,0,1,1,0|2,0,0]=4 250 B16R2.29842 Cc1oc2ccccc2c1C(=N)OCC Amb25701625 [0,0,0,1,1,0|1,0,1]=4 251 B16R2.74656 CC(=O)N1C(=O)C(CC)c2ccccc12 Amb24084325 [0,0,0,1,1,0|2,0,0]=4 252 B16R2.74656 CC(=O)c1c(Cl)[n](CC)c2ccccc21 Amb18556561 [0,0,0,1,1,0|2,0,0]=4 253 B16R2.74656 CC(=O)c1c(O)[n](CC)c2ccccc21 Amb24311261 [0,0,0,1,1,0|1,0,1]=4 254 B18R2.124774 CCCC(=O)CC1=Cc2ccccc2OC1=O Amb21913137 [0,0,0,1,0,1|2,0,0]=4 255 B18R2.124774 CCOC(=O)CC1=Nc2ccccc2NC1=O Amb18368786 [0,0,0,1,0,1|2,0,0]=4 256 B18R2.124774 CCOC(=O)Cc1nc2ccccc2nc1C Amb1035733 [0,0,0,1,0,1|2,0,0]=4 257 B18R2.124774 CCOC(=O)\C=C\1/Nc2ccccc2NC1=O Amb21952762 [0,0,0,1,0,1|2,0,0]=4 258 B18R2.124774 CCOC(=O)\C=C\1/Nc2ccccc2OC1=O Amb21871655 [0,0,0,1,0,1|2,0,0]=4 259 B18R2.124774 CCOC(=O)\C=C\1/Nc2ccccc2SC1=O Amb19203561 [0,0,0,1,0,1|2,0,0]=4 260 B18R2.124774 CCOC(=O)\C=c\1/[nH]c2ccccc2[nH]c1=O Amb2519695 [0,0,0,1,0,1|2,0,0]=4 261 B18R2.7385 CCOc1[n]c([s]c1C(O)=O)-c2ccccc2 Amb23541154 [0,0,0,1,0,1|2,0,0]=4 262 B18R2.7385 CCOc1cc(sc1C(=O)O)c2ccccc2 Amb10609095 [0,0,0,1,0,1|2,0,0]=4 263 B18R2.7385 CCOc1oc(nc1C(=O)O)c2ccccc2 Amb133050 [0,0,0,1,0,1|1,0,1]=4 264 B18R2.8107 CCOC(=O)C1=C(N)CC(C1)c2ccccc2 Amb16218084 [0,0,0,1,0,1|1,0,1]=4 265 B18R2.8107 CCOC(=O)c1[nH]c(cc1N)c2ccccc2 Amb10975568 [0,0,0,1,0,1|1,0,1]=4 266 B18R2.8107 CCOC(=O)c1[nH]c(nc1N)c2ccccc2 Amb17596339 [0,0,0,1,0,1|2,0,0]=4 267 B18R2.8107 CCOC(=O)c1[n]c([s]c1N)-c2ccccc2 Amb18666299 [0,0,0,1,0,1|1,1,0]=4 268 B18R2.8107 CCOC(=O)c1[n]c(oc1Cl)-c2ccccc2 Amb22750200 [0,0,0,1,0,1|1,0,1]=4 269 B18R2.8107 CCOC(=O)c1[n]c(oc1N)-c2ccccc2 Amb18661408 [0,0,0,1,0,1|1,0,1]=4 270 B18R2.8107 CCOC(=O)c1c[n]([n]c1N)-c2ccccc2 Amb21963807 [0,0,0,1,0,1|2,0,0]=4 271 B18R2.8107 CCOC(=O)c1cn(cc1O)c2ccccc2 Amb17596338 [0,0,0,1,0,1|0,0,2]=4 272 B18R2.8107 CCOC(=O)c1nc(sc1Br)c2ccccc2 Amb16232240 [0,0,0,1,0,1|1,1,0]=4 273 B18R2.8107 CCOC(=O)c1nn(nc1C)c2ccccc2 Amb10789007 [0,0,0,1,0,1|2,0,0]=4 274 B18R2.8107 CCOC(=O)c1sc(cc1N)c2ccccc2 Amb1106900 [0,0,0,1,0,1|1,0,1]=4 275 B18R2.8107 CCOC(=O)c1sc(cc1O)c2ccccc2 Amb125517 [0,0,0,1,0,1|0,0,2]=4 276 B18R2.8107 CCOC(=O)c1sc(nc1C)c2ccccc2 Amb2411998 [0,0,0,1,0,1|1,0,0]=3 277 B18R2.8107 CCOC(=O)c1sc(nc1C)c2ccccn2 Amb2417643 [0,0,0,1,0,1|2,0,0]=4 278 B18R2.8107 C\C(\OCC)=C\1/N=C(OC1=O)c2ccccc2 Amb19372577 [0,0,0,1,0,1|2,0,0]=4 279 B18R2.8107 Cc1[nH]c([n]c1C(=O)OCC)-c2cccc[n]2 Amb24055696 [0,0,0,1,0,1|2,0,0]=4 280 B18R2.8107 Cc1[n][n](cc1C(=O)OCC)-c2ccccc2 Amb19651177 [0,0,0,1,0,1|1,0,0]=3 281 B18R2.8107 Cc1oc([n]c1C(=O)OCC)-c2ccccc2 Amb22370495 [0,0,0,1,0,1|0,0,1]=3 282 B18R2.38168 CC1=CC(=O)\C(=C/Nc2ccccc2)\C(=O)O1 Amb1665984 [0,0,0,1,0,1|0,0,2]=4 283 B18R2.38168 CC1=CC(=O)\C(=C\Nc2ccccc2)\C(=O)O1 Amb2362025 [0,0,0,1,0,1|0,0,2]=4 284 B18R2.66773 CC(C)=C/1C(=O)NC(C)\C1=C\c2ccccc2 Amb22365128 [0,0,0,1,0,1|2,0,0]=4 285 B18R2.66773 CN1OC(=O)C(C(O)=O)=C1Cc2ccccc2 Amb18573834 [0,0,0,1,0,1|2,0,0]=4 286 B18R2.81626 CCOC(=O)C1=NNc2ccccc2NC1=O Amb17750252 [0,0,0,1,0,1|2,0,0]=4 287 B18R2.230 CCOC(=O)C=1SC(=O)NC1c2c[n]ccc2 Amb19887245 [0,0,0,1,0,1|2,0,0]=4 288 B18R2.230 CCOC(=O)C=1SC(=O)NC1c2cc[n]cc2 Amb19887244 [0,0,0,1,0,1|2,0,0]=4 289 B18R2.230 CCOC(=O)N1CC(=O)CC1c2ccccc2 Amb23437167 [0,0,0,1,0,1|1,0,1]=4 290 B18R2.230 CCOC(=O)[C@@H]1NC(=O)C[C@@H]1c2ccccc2 Amb23458718 [0,0,0,1,0,1|0,0,2]=4 291 B18R2.230 CCOC(=O)c1[n]c(S)[s]c1-c2ccccc2 Amb19703451 [0,0,0,1,0,1|1,1,0]=4 292 B18R2.230 CCOC(=O)c1sc(nc1c2ccccc2)Br Amb13777477 [0,0,0,1,0,1|2,0,0]=4 293 B18R2.230 CCOC(=O)c1sc(nc1c2ccccc2)C Amb2349810 [0,0,0,1,0,1|1,0,0]=3 294 B18R2.230 CCOC(=O)c1sc(nc1c2ccccc2)Cl Amb10873442 [0,0,0,1,0,1|2,0,0]=4 295 B18R2.230 Cc1[n]c(C(=O)OCC)c([s]1)-c2c[n]ccc2 Amb19703347 [0,0,0,1,0,1|1,1,0]=4 296 B18R2.230 Cc1[n]c(C(=O)OCC)c([s]1)-c2cccc[n]2 Amb19703365 [0,0,0,1,0,1|1,1,0]=4 297 B18R2.230 Cc1cc(C(=O)OCC)c([s]1)-c2ccccc2 Amb24104588 [0,0,0,1,0,1|0,1,0]=3 298 B18R2.81911 CCOC(=O)c1[nH]c2ccccc2c1C(O)=O Amb19895053 [0,0,0,1,0,1|2,0,0]=4 299 B18R2.81880 CCCC(=O)C1=Cc2cc(Br)ccc2OC1=O Amb19665101 [0,1,0,1,0,0|2,0,0]=4 300 B18R2.81880 CCCC(=O)C1=Cc2cc(Cl)ccc2OC1=O Amb20449071 [0,1,0,1,0,0|2,0,0]=4 301 B18R2.81880 CCNC(=O)C1=Cc2cc(Br)ccc2OC1=O Amb20653531 [0,1,0,1,0,0|2,0,0]=4 302 B18R2.81880 CCNC(=O)C1=Cc2cc(Cl)ccc2OC1=O Amb22971746 [0,1,0,1,0,0|2,0,0]=4 303 B18R2.81880 CCNC(=O)c1cc2cc(C)ccc2nc1C Amb11262626 [0,1,0,1,0,0|2,0,0]=4 304 B18R2.81880 CCOC(=O)C1=Cc2cc(Br)c[n]c2NC1=O Amb19895056 [0,1,0,1,0,0|2,0,0]=4 305 B18R2.81880 CCOC(=O)C1=Cc2cc(Br)ccc2OC1=O Amb18003344 [0,1,0,1,0,0|1,0,0]=3 306 B18R2.81880 CCOC(=O)C1=Cc2cc(Cl)ccc2OC1=O Amb19667676 [0,1,0,1,0,0|1,0,0]=3 307 B18R2.81880 CCOC(=O)C1=Cc2cc(O)ccc2OC1=O Amb18009175 [0,1,0,1,0,0|1,0,0]=3 308 B18R2.81880 CCOC(=O)C1=Nc2cc(Br)ccc2NC1=O Amb24073667 [0,1,0,1,0,0|2,0,0]=4 309 B18R2.81880 CCOC(=O)C1=Nc2cc(Cl)ccc2NC1=O Amb24073670 [0,1,0,1,0,0|2,0,0]=4 310 B18R2.81880 CCOC(=O)c1cc2cc(Br)ccc2cc1O Amb21963006 [0,1,0,1,0,0|0,0,2]=4 311 B18R2.81880 CCOC(=O)c1cc2cc(C)ccc2nc1C Amb1994244 [0,1,0,1,0,0|1,0,0]=3 312 B18R2.81880 CCOC(=O)c1cc2cc(O)ccc2oc1=O Amb1399532 [0,1,0,1,0,0|1,0,0]=3 313 B18R2.81880 Cc1cc2C=C(C(=O)NCC)C(=O)Oc2cc1 Amb22971428 [0,1,0,1,0,0|2,0,0]=4 314 B18R2.81880 Cc1cc2C=C(C(=O)Oc2cc1)C(=O)OCC Amb22750243 [0,1,0,1,0,0|1,0,0]=3 315 B18R2.81880 Cc1ccc2OC(=O)C(=Nc2c1)C(=O)OCC Amb20465869 [0,1,0,1,0,0|2,0,0]=4 316 B18R2.81880 Cc1nc2ccc(cc2cc1C(=O)OCC)Br Amb1994748 [0,1,0,1,0,0|1,0,0]=3 317 B18R2.81880 Cc1nc2ccc(cc2cc1C(=O)OCC)Cl Amb1994755 [0,1,0,1,0,0|1,0,0]=3 318 B18R2.81880 Cc1nc2ccc(cc2cc1C(=O)OCC)F Amb1994777 [0,1,0,1,0,0|1,0,0]=3 319 B18R2.82072 CCNC(=O)C1=Cc2cccc(Cl)c2OC1=O Amb22971603 [0,1,0,1,0,0|2,0,0]=4 320 B18R2.82072 CCOC(=O)C1=Cc2cccc(Cl)c2NC1=O Amb20054006 [0,1,0,1,0,0|1,0,0]=3 321 B18R2.82072 CCOC(=O)C1=Cc2cccc(Cl)c2OC1=O Amb22750273 [0,1,0,1,0,0|1,0,0]=3 322 B18R2.82072 CCOC(=O)c1cc2cccc(c2nc1C)C Amb1994371 [0,1,0,1,0,0|1,0,0]=3 323 B18R2.82072 Cc1[n]c2c(Br)cccc2cc1C(=O)OCC Amb20239567 [0,1,0,1,0,0|1,0,0]=3 324 B18R2.82072 Cc1[n]c2c(F)cccc2cc1C(=O)OCC Amb20239565 [0,1,0,1,0,0|1,0,0]=3 325 B18R2.82072 Cc1cccc2C=C(C(=O)NCC)C(=O)Oc12 Amb22971312 [0,1,0,1,0,0|2,0,0]=4 326 B18R2.82072 Cc1cccc2C=C(C(=O)Oc12)C(=O)OCC Amb22750240 [0,1,0,1,0,0|1,0,0]=3 327 B18R2.273002 CN1OC(=O)C(C(O)=O)=C1c2cc(Cl)ccc2 Amb18584573 [0,1,0,1,0,0|2,0,0]=4 328 B18R2.273002 CN1OC(=O)C(C(O)=O)=C1c2cc(F)ccc2 Amb18576147 [0,1,0,1,0,0|2,0,0]=4 329 B18R2.273002 Cc1cc(ccc1)C2=C(C(O)=O)C(=O)ON2C Amb18573832 [0,1,0,1,0,0|2,0,0]=4 330 B18R2.5748 COC(=O)c1cc2ccccc2[n]c1OCC Amb23456031 [0,1,0,1,0,0|1,0,0]=3 331 B18R2.8169 CCOC(=O)c1[n]c2ccccc2cc1CBr Amb23603659 [0,1,0,1,0,0|2,0,0]=4 332 B18R2.8169 CCOC(=O)c1cc2ccccc2nc1CCl Amb2412875 [0,1,0,1,0,0|1,0,0]=3 333 B18R2.80684 CCNC(=O)c1c(C)onc1c2ccccc2 Amb1233511 [0,1,0,1,0,0|1,0,1]=4 334 B18R2.80684 CCOC(=O)C=1C(=O)COC1c2ccccc2 Amb22831567 [0,1,0,1,0,0|0,0,0]=2 335 B18R2.80684 CCOC(=O)[C-]1C(CNC1=O)c2ccccc2 Amb22487527 [0,1,0,1,0,0|0,0,2]=4 336 B18R2.80684 CCOC(=O)c1c(C)n[nH]c1c2ccccc2 Amb10604533 [0,1,0,1,0,0|1,0,0]=3 337 B18R2.80684 CCOC(=O)c1c(C)n[nH]c1c2ccccc2 Amb16204444 [0,1,0,1,0,0|1,0,0]=3 338 B18R2.80684 CCOC(=O)c1c(C)onc1c2ccccc2 Amb16233099 [0,1,0,1,0,0|0,0,1]=3 339 B18R2.80684 CCOC(=O)c1c(Cl)o[n]c1-c2ccccc2 Amb20529084 [0,1,0,1,0,0|1,0,1]=4 340 B18R2.80684 CCOC(=O)c1c(N)[nH]cc1c2ccccc2 Amb2417598 [0,1,0,1,0,0|1,0,1]=4 341 B18R2.80684 CCOC(=O)c1c(N)[s]cc1-c2ccccc2 Amb17659003 [0,1,0,1,0,0|1,0,1]=4 342 B18R2.80684 CCOC(=O)c1c(N)onc1c2ccccc2 Amb17040684 [0,1,0,1,0,0|1,0,1]=4 343 B18R2.80684 CCOC(=O)c1c(O)[nH][n]c1-c2ccccc2 Amb23597119 [0,1,0,1,0,0|1,0,1]=4 344 B18R2.80684 CCOC(=O)c1c(O)c[s]c1-c2ccccc2 Amb24102612 [0,1,0,1,0,0|0,0,2]=4 345 B18R2.80684 Cc1[n]c[n](c1C(=O)OCC)-c2ccccc2 Amb24056233 [0,1,0,1,0,0|2,0,0]=4 346 B18R2.80684 Cc1[n]oc(c1C(=O)OCC)-c2ccccc2 Amb24113830 [0,1,0,1,0,0|0,0,1]=3 347 B18R2.80684 Cc1[s][n]c(c1C(=O)OCC)-c2ccccc2 Amb22370856 [0,1,0,1,0,0|0,1,0]=3 348 B18R2.80684 Cc1o[n]c(c1C(=O)OCC)-c2cc[n]cc2 Amb22411372 [0,1,0,1,0,0|1,0,1]=4 349 B18R2.81903 CCOC(=O)C1Sc2ccccc2OCC1=O Amb22896673 [0,1,0,1,0,0|1,0,1]=4 350 B18R2.630054 CCOC(=O)C1=Cc2ccccc2N(O)C1=O Amb20663555 [0,1,0,1,0,0|1,0,0]=3 351 B18R2.630054 CCOC(=O)C1=Nc2ccccc2C(=O)N1C Amb21920569 [0,1,0,1,0,0|2,0,0]=4 352 B18R2.630054 CCOC(=O)C1=Nc2ccccc2N(C)C1=O Amb20465625 [0,1,0,1,0,0|1,0,0]=3 353 B18R2.630054 CCOC(=O)c1nc2ccccc2c(c1C)C Amb2265829 [0,1,0,1,0,0|2,0,0]=4 354 B18R2.630054 Cc1c(O)c2ccccc2[n]c1C(=O)OCC Amb23504056 [0,1,0,1,0,0|1,0,1]=4 355 B18R2.284424 CN1OC(=O)C(C(O)=O)=C1c2ccccc2Cl Amb18073284 [0,1,0,1,0,0|2,0,0]=4 356 B18R2.284424 CN1OC(=O)C(C(O)=O)=C1c2ccccc2F Amb18576146 [0,1,0,1,0,0|2,0,0]=4 357 B18R2.284424 Cc1ccccc1C2=C(C(O)=O)C(=O)ON2C Amb18573831 [0,1,0,1,0,0|2,0,0]=4 358 B18R2.631601 CCOC(=O)C1=Cc2c(Cl)cccc2NC1=O Amb20247062 [0,1,0,1,0,0|1,0,0]=3 359 B18R2.631601 CCOC(=O)C1=Cc2c(Cl)cccc2OC1=O Amb22750272 [0,1,0,1,0,0|1,0,0]=3 360 B18R2.631601 CCOC(=O)C1=Cc2c(O)cccc2OC1=O Amb18662049 [0,1,0,1,0,0|1,0,0]=3 361 B18R2.631601 Cc1[n]c2C=CNC(=O)c2cc1C(=O)OCC Amb21927117 [0,1,0,1,0,0|2,0,0]=4 362 B18R2.24266 CC(=O)C=1C(=O)N(CC)c2ccccc2C1N Amb22479164 [0,1,0,1,0,0|1,0,0]=3 363 B18R2.24266 CC(=O)C=1C(=O)N(CC)c2ccccc2C1O Amb20651452 [0,1,0,1,0,0|1,0,0]=3 364 B18R2.24266 CCN1c2ccccc2C(O)=C(C1=O)C(O)=O Amb23591203 [0,1,0,1,0,0|2,0,0]=4 365 B18R2.72556 O=C(C(=C1SCCS1)C(=O)C)c2ccccc2 Amb16228944 [0,1,0,1,0,0|0,2,0]=4 366 B18R2.82229 CCOC(=O)C1=C(N)c2c(S1(=O)=O)cccc2 Amb1102542 [0,1,0,1,0,0|2,0,0]=4 367 B18R2.82315 CC=1Oc2ccccc2C(=O)C1C(=O)OCC Amb20663551 [0,1,0,1,0,0|0,0,1]=3 368 B18R2.82315 CC=1c2ccc[n]c2NC(=O)C1C(=O)OCC Amb20246954 [0,1,0,1,0,0|2,0,0]=4 369 B18R2.82315 CC=1c2ccccc2NC(=O)C1C(=O)NCC Amb22903062 [0,1,0,1,0,0|2,0,0]=4 370 B18R2.82315 CC=1c2ccccc2NC(=O)C1C(=O)OCC Amb22903163 [0,1,0,1,0,0|1,0,0]=3 371 B18R2.82315 CC=1c2ccccc2OC(=O)C1C(=O)OCC Amb22750242 [0,1,0,1,0,0|1,0,0]=3 372 B18R2.82315 CCCC(=O)C=1C(=O)Oc2ccccc2C1O Amb20543503 [0,1,0,1,0,0|2,0,0]=4 373 B18R2.82315 CCNC(=O)C1=C(O)c2ccccc2NC1=O Amb19522125 [0,1,0,1,0,0|2,0,0]=4 374 B18R2.82315 CCOC(=O)C1=C(C)Nc2c(S1=O)cccc2 Amb2440093 [0,1,0,1,0,0|2,0,0]=4 375 B18R2.82315 CCOC(=O)C1=C(Cl)c2ccccc2NC1=O Amb20027920 [0,1,0,1,0,0|1,0,0]=3 376 B18R2.82315 CCOC(=O)C1=C(Cl)c2ccccc2OC1=O Amb19666838 [0,1,0,1,0,0|1,0,0]=3 377 B18R2.82315 CCOC(=O)C1=C(N)c2ccc[n]c2NC1=O Amb18661785 [0,1,0,1,0,0|2,0,0]=4 378 B18R2.82315 CCOC(=O)C1=C(N)c2ccccc2NC1=O Amb23559881 [0,1,0,1,0,0|1,0,0]=3 379 B18R2.82315 CCOC(=O)C1=C(O)c2ccc[n]c2NC1=O Amb19891261 [0,1,0,1,0,0|2,0,0]=4 380 B18R2.82315 CCOC(=O)C1=C(O)c2ccccc2NC1=O Amb19816279 [0,1,0,1,0,0|1,0,0]=3 381 B18R2.82315 CCOC(=O)C1=C(O)c2ccccc2OC1=O Amb18538363 [0,1,0,1,0,0|1,0,0]=3 382 B18R2.82315 CCOC(=O)C1=C(O)c2ccccc2SN1C Amb24065753 [0,1,0,1,0,0|1,1,0]=4 383 B18R2.82315 CCOC(=O)c1c(Br)[n]c2ccccc2c1Br Amb22750134 [0,1,0,1,0,0|2,0,0]=4 384 B18R2.82315 CCOC(=O)c1c(C)[n]c2ccccc2c1C Amb21857907 [0,1,0,1,0,0|1,0,0]=3 385 B18R2.82315 CCOC(=O)c1c(C)nc2c(c1C)cccc2 Amb2300395 [0,1,0,1,0,0|1,0,0]=3 386 B18R2.82315 CCOC(=O)c1c(C)nc2c(c1O)cccc2 Amb1220353 [0,1,0,1,0,0|1,0,0]=3 387 B18R2.82315 CCOC(=O)c1c(Cl)c2ccccc2[n]c1Br Amb22750132 [0,1,0,1,0,0|2,0,0]=4 388 B18R2.82315 CCOC(=O)c1c(Cl)nc2c(c1O)cccc2 Amb16477241 [0,1,0,1,0,0|2,0,0]=4 389 B18R2.82315 CCOC(=O)c1c(O)cc2c(c1O)cccc2 Amb2459249 [0,1,0,1,0,0|0,0,2]=4 390 B18R2.82315 COOC(=O)c1c(C)[n]c2ccccc2c1C Amb22396483 [0,1,0,1,0,0|2,0,0]=4 391 B18R2.82315 Cc1c2ccccc2[n]c(Cl)c1C(=O)OCC Amb20622347 [0,1,0,1,0,0|2,0,0]=4 392 B18R2.81826 CCCC(=O)C1=Cc2ccc(O)cc2OC1=O Amb20285985 [0,1,0,1,0,0|2,0,0]=4 393 B18R2.81826 CCOC(=O)C1=Cc2ccc(O)cc2OC1=O Amb19524973 [0,1,0,1,0,0|1,0,0]=3 394 B18R2.81826 CCOC(=O)C1=Nc2ccc(Cl)cc2NC1=O Amb24073665 [0,1,0,1,0,0|2,0,0]=4 395 B18R2.81826 CCOC(=O)c1cc2ccc(cc2nc1C)Br Amb1994795 [0,1,0,1,0,0|1,0,0]=3 396 B18R2.81826 CCOC(=O)c1cc2ccc(cc2nc1C)C Amb1994245 [0,1,0,1,0,0|1,0,0]=3 397 B18R2.81826 CCOC(=O)c1cc2ccc(cc2nc1C)Cl Amb1994181 [0,1,0,1,0,0|1,0,0]=3 398 B18R2.81826 CCOC(=O)c1cc2ccc(cc2nc1C)F Amb1994813 [0,1,0,1,0,0|1,0,0]=3 399 B18R2.81826 Cc1ccc2C=C(C(=O)Nc2[n]1)C(=O)OCC Amb23455856 [0,1,0,1,0,0|2,0,0]=4 400 B18R2.234662 Cc1cc2c(C=C(C(O)=O)C(=O)N2CC)cc1 Amb20414196 [0,1,0,1,0,0|2,0,0]=4 401 B18R2.684520 CN1OC(=O)C(C(O)=O)=C1c2ccc(Cl)cc2 Amb18584574 [0,1,0,1,0,0|2,0,0]=4 402 B18R2.684520 CN1OC(=O)C(C(O)=O)=C1c2ccc(F)cc2 Amb18576148 [0,1,0,1,0,0|2,0,0]=4 403 B18R2.684520 Cc1ccc(cc1)C2=C(C(O)=O)C(=O)ON2C Amb18573833 [0,1,0,1,0,0|2,0,0]=4 404 B18R2.126254 CCN(C)C(=O)C1=Cc2ccccc2OC1=O Amb21797001 [0,1,0,1,0,0|2,0,0]=4 405 B18R2.2938 CCN1OC(=O)C(C(O)=O)=C1c2ccccc2 Amb18563026 [0,1,0,1,0,0|1,0,0]=3 406 B18R2.123786 C=CCOC(=O)C1=Cc2ccccc2OC1=O Amb20252457 [0,1,0,1,0,0|1,0,1]=4 407 B18R2.123786 CCCNC(=O)C1=Cc2ccccc2OC1=O Amb18528364 [0,1,0,1,0,0|2,0,0]=4 408 B18R2.123786 CCCOC(=O)C1=Cc2ccccc2OC1=O Amb18003351 [0,1,0,1,0,0|1,0,0]=3 409 B18R2.123786 CCONC(=O)C1=Cc2ccccc2NC1=O Amb19264845 [0,1,0,1,0,0|1,0,0]=3 410 B18R2.123786 CCONC(=O)C1=Cc2ccccc2OC1=O Amb19241875 [0,1,0,1,0,0|1,0,0]=3 411 B18R2.123786 O=C1Oc2ccccc2C=C1C(=O)NCCCl Amb19767162 [0,1,0,1,0,0|2,0,0]=4 412 B18R2.123786 OCCNC(=O)C1=Cc2ccccc2OC1=O Amb18011993 [0,1,0,1,0,0|2,0,0]=4 413 B18R2.129989 CCCN1C(=O)C(=Cc2ccccc12)C(O)=O Amb22903162 [0,1,0,1,0,0|2,0,0]=4 414 B18R2.30866 CC(=O)C1=C(c2ccccc2)C(NC1=O)(C)O Amb2433238 [0,1,0,1,0,0|1,0,0]=3 415 B18R2.32565 CC(C)N1c2ccccc2C=C(C(O)=O)C1=O Amb19372950 [0,1,0,1,0,0|2,0,0]=4 416 B18R2.60309 O=C1CC(C)(C)CC(=O)C1=Cc2ccccc2 Amb2230562 [0,1,0,1,0,0|1,0,0]=3 417 B18R2.61969 CC(C)NC(=O)C1=Cc2ccccc2OC1=O Amb17997173 [0,1,0,1,0,0|2,0,0]=4 418 B18R2.61969 CC(C)OC(=O)C1=Cc2ccccc2OC1=O Amb18003352 [0,1,0,1,0,0|1,0,0]=3 419 B18R2.61969 CC(OC(=O)c1cc2ccccc2oc1=O)C Amb1046603 [0,1,0,1,0,0|1,0,0]=3 420 B18R2.71144 CC(C)Oc1[n]c2ccccc2cc1C(O)=O Amb24113705 [0,1,0,1,0,0|2,0,0]=4 421 B18R3.613346 CC1OC(=O)c2c(N1)cc3c(c2)cccc3 Amb16227398 [0,0,0,2,0,0|1,0,1]=4 422 B18R3.159711 CCN1Cc2[n]c3ccccc3cc2C1=O Amb24311317 [0,0,0,2,0,0|2,0,0]=4 423 B18R3.2571370 OC(=O)C1=Cc2cccc3CCN(c32)C1=O Amb19882345 [0,0,0,2,0,0|2,0,0]=4 424 B14R1.604 CCOC(=O)C(c1ccccc1)C=O Amb17595027 [1,0,0,0,1,0|0,0,1]=3 425 B14R1.604 CCOC(=O)\C(=C\O)\c1ccccc1 Amb22492006 [1,0,0,0,1,0|0,0,1]=3 426 B14R1.604 CON(C(=O)OCC)c1ccccc1 Amb22347437 [1,0,0,0,1,0|2,0,0]=4 427 B14R1.178 CC(=O)C(=COCC)c1cc[n]cc1 Amb24066036 [1,0,0,0,1,0|1,0,0]=3 428 B14R1.178 CC(=O)\C(=C\OCC)\c1cc[n]cc1 Amb22740045 [1,0,0,0,1,0|1,0,0]=3 429 B14R1.2984 CC(=O)C(C(=O)OC)c1cc[n]cc1 Amb18565194 [1,0,0,0,1,0|1,0,1]=4 430 B14R1.2984 CC(=O)C(C(=O)OC)c1ccc[n]c1 Amb18565193 [1,0,0,0,1,0|1,0,1]=4 431 B14R1.2984 CC(=O)C(C(=O)OC)c1cccc[n]1 Amb18565192 [1,0,0,0,1,0|1,0,1]=4 432 B14R1.2984 CC(=O)C(C(=O)OC)c1ccccc1 Amb18565064 [1,0,0,0,1,0|0,0,1]=3 433 B14R1.2984 CC\C(\Cl)=C(/C(O)=O)\c1ccccc1 Amb25857448 [1,0,0,0,1,0|2,0,0]=4 434 B14R1.2984 CC\C(\O)=C(\C(N)=O)/c1ccccc1 Amb25805170 [1,0,0,0,1,0|1,0,1]=4 435 B14R1.2984 C\C(\CC)=C(/C(O)=O)\c1ccccc1 Amb18650573 [1,0,0,0,1,0|2,0,0]=4 436 B14R1.2984 C\C(\N)=C(\C(=O)OC)/c1cc[n]cc1 Amb25377840 [1,0,0,0,1,0|2,0,0]=4 437 B14R1.2984 C\C(\N)=C(\C(=O)OC)/c1ccccc1 Amb25202120 [1,0,0,0,1,0|1,0,0]=3 438 B14R1.2984 C\C(\NC)=C(\c1ccccc1)/C(C)=O Amb25366423 [1,0,0,0,1,0|2,0,0]=4 439 B16R1.936 CCOC(=O)CN(Cc1ccccc1)C=O Amb25353214 [1,0,0,0,0,1|1,0,1]=4 440 B16R1.5825 CC(=O)N\C(=C/c1ccccc1)\C(=O)OC Amb22001044 [1,0,0,0,0,1|0,0,0]=2 441 B16R1.5825 COC(=O)[C@H](Cc1ccccc1)NC(=O)C Amb17621818 [1,0,0,0,0,1|0,0,2]=4 442 B16R1.6737 CC(=O)\C(=N\Nc1ccccc1)\C(=O)OC Amb19886949 [1,0,0,0,0,1|1,0,0]=3 443 B16R1.6737 COC(=O)\C(=C\Nc1ccccc1)\[N+](=O)[O-] Amb16228287 [1,0,0,0,0,1|2,0,0]=4 444 B18R1.214523 CC(=O)C(=NOCc1ccccc1)C(=O)OCC Amb24066418 [0,0,0,0,0,2|0,0,1]=3 445 B18R1.214523 CCOC(=O)C(C(=O)C)C\C=C\c1ccccc1 Amb2419200 [0,0,0,0,0,2|0,0,1]=3