0 B19R2.16162 Br\C(=C/Nc1ccccc1)\C=N\c2ccccc2 Amb1792698 [0,0,0,0,0,0|4,0,0]=4 1 B19R2.16162 Br\C(=C\Nc1ccccc1)\C=N\c2ccccc2 Amb10560566 [0,0,0,0,0,0|4,0,0]=4 2 B19R2.16162 C=C(\C=C\c1ccccc1)\C=C/c2ccccc2 Amb22232073 [0,0,0,0,0,0|2,0,1]=3 3 B19R2.16162 CC(=NNc1ccccc1)\C=C\c2ccccc2 Amb16224932 [0,0,0,0,0,0|3,0,0]=3 4 B19R2.16162 O=C(C=Cc1ccccc1)OCC2CC=CCC2 Amb20885388 [0,0,0,0,0,0|0,0,4]=4 5 B19R2.16162 O=C(C=Cc1ccccc1)OCc2c[n]cc[n]2 Amb19371808 [0,0,0,0,0,0|2,0,0]=2 6 B19R2.16162 O=C(C=Cc1ccccc1)OCc2cccc[n]2 Amb21130558 [0,0,0,0,0,0|1,0,0]=1 7 B19R2.16162 O=C(CCc1ccccc1)CCc2ccccc2 Amb17940894 [0,0,0,0,0,0|1,0,2]=3 8 B19R2.16162 O=C(CCc1ccccc1)OCc2cccc[n]2 Amb21130562 [0,0,0,0,0,0|1,0,2]=3 9 B19R2.16162 O=C(CCc1ccccn1)NCc2ccccc2 Amb11617196 [0,0,0,0,0,0|2,0,2]=4 10 B19R2.16162 O=C(CCc1cccnc1)NCc2ccccc2 Amb11238461 [0,0,0,0,0,0|2,0,2]=4 11 B19R2.16162 O=C(CNc1ccccn1)NCc2ccccc2 Amb11412275 [0,0,0,0,0,0|3,0,1]=4 12 B19R2.16162 O=C(COc1ccccc1)CCc2ccccc2 Amb23954980 [0,0,0,0,0,0|2,0,1]=3 13 B19R2.16162 O=C(COc1ccccc1)NCc2ccccc2 Amb16206983 [0,0,0,0,0,0|2,0,1]=3 14 B19R2.16162 O=C(CSc1ccccc1)CCc2ccccc2 Amb23997283 [0,0,0,0,0,0|2,0,1]=3 15 B19R2.16162 O=C(CSc1ccccc1)CSc2ccccc2 Amb1544194 [0,0,0,0,0,0|3,0,1]=4 16 B19R2.16162 O=C(CSc1ccccc1)NCc2ccccc2 Amb1211814 [0,0,0,0,0,0|2,0,1]=3 17 B19R2.16162 O=C(NCc1c[n]ccc1)OCc2ccccc2 Amb25810177 [0,0,0,0,0,0|2,0,1]=3 18 B19R2.16162 O=C(NCc1cc[n]cc1)OCc2ccccc2 Amb25811507 [0,0,0,0,0,0|2,0,1]=3 19 B19R2.16162 O=C(NCc1ccc[n][n]1)OCc2ccccc2 Amb24361008 [0,0,0,0,0,0|3,0,1]=4 20 B19R2.16162 O=C(NCc1cccc[n]1)OCc2ccccc2 Amb25319112 [0,0,0,0,0,0|2,0,1]=3 21 B19R2.16162 O=C(NCc1ccccc1)NCc2ccccc2 Amb1207241 [0,0,0,0,0,0|2,0,1]=3 22 B19R2.16162 O=C(NCc1ccccn1)NCc2ccccc2 Amb147609 [0,0,0,0,0,0|3,0,1]=4 23 B19R2.16162 O=C(NCc1ccccn1)\C=C\c2cccnc2 Amb11284428 [0,0,0,0,0,0|3,0,0]=3 24 B19R2.16162 O=C(NNc1ccccc1)NNc2ccccc2 Amb22054097 [0,0,0,0,0,0|4,0,0]=4 25 B19R2.16162 O=C(\C=C\c1cc[n]cc1)NCc2ccccc2 Amb20923302 [0,0,0,0,0,0|2,0,0]=2 26 B19R2.16162 O=C(\C=C\c1ccccc1)C#Cc2ccccc2 Amb22359295 [0,0,0,0,0,0|1,0,1]=2 27 B19R2.16162 O=C(\C=C\c1ccccc1)\C=C\c2ccccc2 Amb19929236 [0,0,0,0,0,0|1,0,1]=2 28 B19R2.16162 O=C(\C=C\c1ccccc1)\C=C\c2ccccc2 Amb20240944 [0,0,0,0,0,0|1,0,1]=2 29 B19R2.16162 O=C(\C=C\c1ccccc1)\C=C\c2ccccc2 Amb22411549 [0,0,0,0,0,0|1,0,1]=2 30 B19R2.16162 O=C(\C=C\c1cccnc1)NCc2ccccc2 Amb10706171 [0,0,0,0,0,0|2,0,0]=2 31 B19R2.16162 O=C(\C=C\c1cccnc1)NCc2cccnc2 Amb11284429 [0,0,0,0,0,0|3,0,0]=3 32 B19R2.16162 S=C(NNc1ccccc1)NCc2ccccc2 Amb1212524 [0,0,0,0,0,0|3,1,0]=4 33 B19R2.16162 [Se]=C(NCc1ccccc1)NCc2ccccc2 Amb20668673 [0,0,0,0,0,0|2,1,1]=4 34 B18R2.2525 C(N\C=N\Cc1ccccc1)c2ccccc2 Amb24388594 [1,0,0,0,0,0|2,0,1]=4 35 B18R2.2525 C(OCCNc1ccccc1)c2ccccc2 Amb25026408 [1,0,0,0,0,0|1,0,2]=4 36 B18R2.2525 C(ONCCc1ccccc1)c2ccccc2 Amb25231901 [1,0,0,0,0,0|1,0,2]=4 37 B18R2.2525 c1ccc(cc1)CNC\C=C\c2ccccc2 Amb1855576 [1,0,0,0,0,0|1,0,1]=3 38 B18R2.2525 c1ccc(cc1)N\C=C\C=N\c2ccccc2 Amb1419375 [1,0,0,0,0,0|3,0,0]=4 39 B18R2.2525 c1ccc(cc1)N\C=C\C=N\c2ccccc2 Amb2421818 [1,0,0,0,0,0|3,0,0]=4 40 B18R2.2525 c1ccc(cc1)N\C=C\C=[NH+]\c2ccccc2 Amb1145186 [1,0,0,0,0,0|3,0,0]=4 41 B20R2.4449 Cc1c[n]c(CNC(=O)OCc2ccccc2)cc1 Amb24539118 [0,1,0,0,0,0|2,0,1]=4 42 B20R2.4449 Cc1ccc(CNC(=O)OCc2ccccc2)cc1 Amb24723067 [0,1,0,0,0,0|1,0,1]=3 43 B20R2.4449 Cc1ccc(cc1)SCC(=O)CCc2ccccc2 Amb24015534 [0,1,0,0,0,0|2,0,1]=4 44 B20R2.4449 Fc1ccc(cc1)\C=C\C(=N/Nc2ccccc2)\C Amb10792788 [0,1,0,0,0,0|3,0,0]=4 45 B20R2.4449 Nc1c[n]c(CNC(=O)OCc2ccccc2)cc1 Amb25217088 [0,1,0,0,0,0|2,0,1]=4 46 B20R2.4449 O=C(C=Cc1cccc[n]1)NCc2ccc(Br)cc2 Amb19366854 [0,1,0,0,0,0|2,0,0]=3 47 B20R2.4449 O=C(C=Cc1ccccc1)OCc2c[n]c(Cl)cc2 Amb21241533 [0,1,0,0,0,0|1,0,0]=2 48 B20R2.4449 O=C(CCc1ccc(Cl)cc1)OCc2cccc[n]2 Amb21777066 [0,1,0,0,0,0|1,0,2]=4 49 B20R2.4449 O=C(CCc1ccccc1)NCc2ccc(cc2)F Amb1244061 [0,1,0,0,0,0|1,0,2]=4 50 B20R2.4449 O=C(COc1ccccc1)NCc2ccc(cc2)Cl Amb1234614 [0,1,0,0,0,0|2,0,1]=4 51 B20R2.4449 O=C(COc1ccccc1)NCc2ccc(cc2)F Amb1835582 [0,1,0,0,0,0|2,0,1]=4 52 B20R2.4449 O=C(COc1ccccc1)OCc2ccc(Cl)[n]c2 Amb20918961 [0,1,0,0,0,0|2,0,1]=4 53 B20R2.4449 O=C(CSc1ccc(Cl)cc1)\C=C\c2ccccc2 Amb23483014 [0,1,0,0,0,0|2,0,0]=3 54 B20R2.4449 O=C(CSc1ccccc1)NCc2ccc(Br)cc2 Amb22394506 [0,1,0,0,0,0|2,0,1]=4 55 B20R2.4449 O=C(CSc1ccccc1)NCc2ccc(cc2)C Amb1210405 [0,1,0,0,0,0|2,0,1]=4 56 B20R2.4449 O=C(CSc1ccccc1)NCc2ccc(cc2)Cl Amb1210912 [0,1,0,0,0,0|2,0,1]=4 57 B20R2.4449 O=C(CSc1ccccc1)OCc2ccc(Cl)[n]c2 Amb21778158 [0,1,0,0,0,0|2,0,1]=4 58 B20R2.4449 O=C(NCc1ccc(Br)cc1)OCc2ccccc2 Amb25763029 [0,1,0,0,0,0|1,0,1]=3 59 B20R2.4449 O=C(NCc1ccc(F)cc1)OCc2ccccc2 Amb25134334 [0,1,0,0,0,0|1,0,1]=3 60 B20R2.4449 O=C(NCc1ccccc1)CCc2ccc(cc2)F Amb16207938 [0,1,0,0,0,0|1,0,2]=4 61 B20R2.4449 O=C(NCc1ccccc1)COc2ccc(cc2)Br Amb1225184 [0,1,0,0,0,0|2,0,1]=4 62 B20R2.4449 O=C(NCc1ccccc1)COc2ccc(cc2)Cl Amb2558158 [0,1,0,0,0,0|2,0,1]=4 63 B20R2.4449 O=C(NCc1ccccc1)COc2ccc(cc2)F Amb1224341 [0,1,0,0,0,0|2,0,1]=4 64 B20R2.4449 O=C(NCc1ccccc1)CSc2ccc(cc2)Br Amb1191843 [0,1,0,0,0,0|2,0,1]=4 65 B20R2.4449 O=C(NCc1ccccc1)CSc2ccc(cc2)C Amb1225018 [0,1,0,0,0,0|2,0,1]=4 66 B20R2.4449 O=C(NCc1ccccc1)CSc2ccc(cc2)Cl Amb1191841 [0,1,0,0,0,0|2,0,1]=4 67 B20R2.4449 O=C(NCc1ccccc1)NCc2ccc(cc2)C Amb2237565 [0,1,0,0,0,0|2,0,1]=4 68 B20R2.4449 O=C(NCc1ccccc1)NCc2ccc(cc2)Cl Amb16003727 [0,1,0,0,0,0|2,0,1]=4 69 B20R2.4449 O=C(NCc1ccccc1)NCc2ccc(cc2)F Amb160933 [0,1,0,0,0,0|2,0,1]=4 70 B20R2.4449 O=C(NCc1ccccc1)\C=C\c2ccc(cc2)C Amb2459185 [0,1,0,0,0,0|1,0,0]=2 71 B20R2.4449 O=C(NCc1ccccc1)\C=C\c2ccc(cc2)Cl Amb1252216 [0,1,0,0,0,0|1,0,0]=2 72 B20R2.4449 O=C(NCc1ccccc1)\C=C\c2ccc(cc2)F Amb1223862 [0,1,0,0,0,0|1,0,0]=2 73 B20R2.4449 O=C(NCc1cccnc1)OCc2ccc(cc2)C Amb1804660 [0,1,0,0,0,0|2,0,1]=4 74 B20R2.4449 O=C(NNc1ccc(Cl)cc1)OCc2ccccc2 Amb25072508 [0,1,0,0,0,0|2,0,0]=3 75 B20R2.4449 O=C(OCc1ccccc1)CCc2ccc(cc2)O Amb17609054 [0,1,0,0,0,0|0,0,2]=3 76 B20R2.4449 O=C(OCc1ccccc1)COc2ccc(cc2)Cl Amb2566355 [0,1,0,0,0,0|1,0,1]=3 77 B20R2.4449 O=C(OCc1ccccc1)NCc2ccc(cc2)Cl Amb2352729 [0,1,0,0,0,0|1,0,1]=3 78 B20R2.4449 O=C(OCc1ccccc1)NCc2ccc(cc2)N Amb10576504 [0,1,0,0,0,0|1,0,1]=3 79 B20R2.4449 O=C(OCc1ccccc1)\C=C\c2ccc(cc2)Br Amb16207654 [0,1,0,0,0,0|0,0,0]=1 80 B20R2.4449 O=C(OCc1ccccc1)\C=C\c2ccc(cc2)Cl Amb1637428 [0,1,0,0,0,0|0,0,0]=1 81 B20R2.4449 O=C(OCc1ccccc1)\C=C\c2ccc(cc2)F Amb1691773 [0,1,0,0,0,0|0,0,0]=1 82 B20R2.4449 O=C(ON=C1C=CC(=O)C=C1)\C=C/c2ccccc2 Amb16762489 [0,1,0,0,0,0|1,0,0]=2 83 B20R2.4449 O=C(\C=C\c1ccc[n]c1)NCc2ccc(Cl)cc2 Amb20902150 [0,1,0,0,0,0|2,0,0]=3 84 B20R2.4449 O=C(\C=C\c1ccccc1)NCc2ccc(cc2)Cl Amb1242098 [0,1,0,0,0,0|1,0,0]=2 85 B20R2.4449 O=C(\C=C\c1ccccc1)NCc2ccc(cc2)F Amb1832508 [0,1,0,0,0,0|1,0,0]=2 86 B20R2.4449 O=C(\C=C\c1ccccc1)OCc2ccc(cc2)Cl Amb2566354 [0,1,0,0,0,0|0,0,0]=1 87 B20R2.4449 O=C(\C=C\c1ccccc1)\C=C\c2ccc(cc2)F Amb2222351 [0,1,0,0,0,0|1,0,1]=3 88 B20R2.4449 O=C(\C=C\c1cccnc1)NCc2ccc(cc2)C Amb10629878 [0,1,0,0,0,0|2,0,0]=3 89 B20R2.4449 O=C(\C=C\c1cccnc1)NCc2ccc(cc2)F Amb10629877 [0,1,0,0,0,0|2,0,0]=3 90 B20R2.4449 O=C(\C=C\c1ccncc1)NCc2ccc(cc2)C Amb10708897 [0,1,0,0,0,0|2,0,0]=3 91 B20R2.4449 O=C(\C=C\c1ccncc1)NCc2ccc(cc2)Cl Amb10723955 [0,1,0,0,0,0|2,0,0]=3 92 B20R2.4449 O=C(\C=C\c1ccncc1)NCc2ccc(cc2)F Amb10708895 [0,1,0,0,0,0|2,0,0]=3 93 B20R2.4449 Oc1ccc(CCC(=O)NCc2ccccc2)cc1 Amb22351436 [0,1,0,0,0,0|1,0,2]=4 94 B20R2.4658 Cc1cc(CCC(=O)NCc2ccccc2)ccc1 Amb21186666 [0,1,0,0,0,0|1,0,2]=4 95 B20R2.4658 Cc1cc(CNC(=O)OCc2ccccc2)[n]cc1 Amb24384600 [0,1,0,0,0,0|2,0,1]=4 96 B20R2.4658 Cc1cc(CNC(=O)OCc2ccccc2)ccc1 Amb24660888 [0,1,0,0,0,0|1,0,1]=3 97 B20R2.4658 Cc1cccc(CNC(=O)OCc2ccccc2)[n]1 Amb24646339 [0,1,0,0,0,0|2,0,1]=4 98 B20R2.4658 Nc1cc(CNC(=O)OCc2ccccc2)ccc1 Amb19889521 [0,1,0,0,0,0|1,0,1]=3 99 B20R2.4658 O=C(C=Cc1ccc[n]c1)NCc2cc(Br)ccc2 Amb21458452 [0,1,0,0,0,0|2,0,0]=3 100 B20R2.4658 O=C(C=Cc1cccnc1)NCc2cccc(c2)Cl Amb13996075 [0,1,0,0,0,0|2,0,0]=3 101 B20R2.4658 O=C(CCc1cc(Cl)ccc1)OCc2ccccc2 Amb20811545 [0,1,0,0,0,0|0,0,2]=3 102 B20R2.4658 O=C(CCc1cccc(c1)F)NCc2ccccc2 Amb16207908 [0,1,0,0,0,0|1,0,2]=4 103 B20R2.4658 O=C(COc1cccc(c1)Br)NCc2ccccc2 Amb1191849 [0,1,0,0,0,0|2,0,1]=4 104 B20R2.4658 O=C(COc1cccc(c1)Cl)NCc2ccccc2 Amb1233403 [0,1,0,0,0,0|2,0,1]=4 105 B20R2.4658 O=C(COc1ccccc1)NCc2cccc(Br)c2 Amb21263679 [0,1,0,0,0,0|2,0,1]=4 106 B20R2.4658 O=C(COc1ccccc1)NCc2cccc(F)c2 Amb21262623 [0,1,0,0,0,0|2,0,1]=4 107 B20R2.4658 O=C(COc1ccccc1)NCc2cccc(c2)Cl Amb1233457 [0,1,0,0,0,0|2,0,1]=4 108 B20R2.4658 O=C(CSc1cc(F)ccc1)CCc2ccccc2 Amb24015223 [0,1,0,0,0,0|2,0,1]=4 109 B20R2.4658 O=C(CSc1cccc(c1)Cl)NCc2ccccc2 Amb1952961 [0,1,0,0,0,0|2,0,1]=4 110 B20R2.4658 O=C(CSc1ccccc1)NCc2cccc(c2)Cl Amb2023656 [0,1,0,0,0,0|2,0,1]=4 111 B20R2.4658 O=C(NCc1cc(Br)ccc1)OCc2ccccc2 Amb24606786 [0,1,0,0,0,0|1,0,1]=3 112 B20R2.4658 O=C(NCc1cc(Cl)ccc1)OCc2ccccc2 Amb24575741 [0,1,0,0,0,0|1,0,1]=3 113 B20R2.4658 O=C(NCc1cccc(c1)C)NCc2ccccc2 Amb11298049 [0,1,0,0,0,0|2,0,1]=4 114 B20R2.4658 O=C(NCc1cccc(c1)Cl)CCc2ccccc2 Amb2023603 [0,1,0,0,0,0|1,0,2]=4 115 B20R2.4658 O=C(NCc1cccc(c1)Cl)NCc2ccccc2 Amb202635 [0,1,0,0,0,0|2,0,1]=4 116 B20R2.4658 O=C(NCc1cccc(c1)F)NCc2ccccc2 Amb11315149 [0,1,0,0,0,0|2,0,1]=4 117 B20R2.4658 O=C(NCc1ccccn1)\C=C\c2cccc(c2)N Amb17161662 [0,1,0,0,0,0|2,0,0]=3 118 B20R2.4658 O=C(\C=C\c1cc[n]cc1)NCc2cc(Cl)ccc2 Amb20923389 [0,1,0,0,0,0|2,0,0]=3 119 B20R2.4658 O=C(\C=C\c1cccc(c1)Br)NCc2ccccc2 Amb2442497 [0,1,0,0,0,0|1,0,0]=2 120 B20R2.4658 O=C(\C=C\c1cccc(c1)Cl)NCc2ccccc2 Amb1215446 [0,1,0,0,0,0|1,0,0]=2 121 B20R2.4658 O=C(\C=C\c1cccc(c1)F)NCc2ccccc2 Amb170803 [0,1,0,0,0,0|1,0,0]=2 122 B20R2.4658 O=C(\C=C\c1cccc(c1)N)NCc2ccccc2 Amb17161481 [0,1,0,0,0,0|1,0,0]=2 123 B20R2.4658 O=C(\C=C\c1cccc(c1)N)NCc2cccnc2 Amb17161663 [0,1,0,0,0,0|2,0,0]=3 124 B20R2.4658 O=C(\C=C\c1cccc(c1)N)NCc2ccncc2 Amb17161664 [0,1,0,0,0,0|2,0,0]=3 125 B20R2.4658 O=C(\C=C\c1ccccc1)NCc2cc(F)ccc2 Amb21458094 [0,1,0,0,0,0|1,0,0]=2 126 B20R2.4658 O=C(\C=C\c1cccnc1)NCc2cccc(c2)C Amb11293320 [0,1,0,0,0,0|2,0,0]=3 127 B20R2.4658 O=C(\C=C\c1cccnc1)NCc2cccc(c2)F Amb10635501 [0,1,0,0,0,0|2,0,0]=3 128 B20R2.4658 O=C(\C=C\c1ccncc1)NCc2cccc(c2)F Amb10639730 [0,1,0,0,0,0|2,0,0]=3 129 B20R2.4658 Oc1cccc(CNC(=O)OCc2ccccc2)c1 Amb17912112 [0,1,0,0,0,0|1,0,1]=3 130 B20R2.6651 Cc1cc[n]cc1CNC(=O)OCc2ccccc2 Amb25166355 [0,1,0,0,0,0|2,0,1]=4 131 B20R2.6651 O=C(CCc1ccccc1)OCc2ccccc2F Amb21618251 [0,1,0,0,0,0|0,0,2]=3 132 B20R2.6651 O=C(CCc1ccccc1Cl)OCc2ccccc2 Amb22067415 [0,1,0,0,0,0|0,0,2]=3 133 B20R2.6651 O=C(CCc1ccccc1F)NCc2ccccc2 Amb16951752 [0,1,0,0,0,0|1,0,2]=4 134 B20R2.6651 O=C(CCc1ccccc1O)NCc2ccccc2 Amb1239340 [0,1,0,0,0,0|1,0,2]=4 135 B20R2.6651 O=C(COc1ccccc1Br)NCc2ccccc2 Amb1191049 [0,1,0,0,0,0|2,0,1]=4 136 B20R2.6651 O=C(COc1ccccc1C)NCc2ccccc2 Amb2573254 [0,1,0,0,0,0|2,0,1]=4 137 B20R2.6651 O=C(COc1ccccc1Cl)NCc2ccccc2 Amb1261889 [0,1,0,0,0,0|2,0,1]=4 138 B20R2.6651 O=C(COc1ccccc1O)NCc2ccccc2 Amb1232605 [0,1,0,0,0,0|2,0,1]=4 139 B20R2.6651 O=C(CSc1ccccc1C)NCc2ccccc2 Amb1224378 [0,1,0,0,0,0|2,0,1]=4 140 B20R2.6651 O=C(NCc1ccccc1Br)OCc2ccccc2 Amb22230260 [0,1,0,0,0,0|1,0,1]=3 141 B20R2.6651 O=C(NCc1ccccc1C)CNc2ccccc2 Amb11245329 [0,1,0,0,0,0|2,0,1]=4 142 B20R2.6651 O=C(NCc1ccccc1C)NCc2ccccc2 Amb2237545 [0,1,0,0,0,0|2,0,1]=4 143 B20R2.6651 O=C(NCc1ccccc1C)\C=C\c2cccnc2 Amb10630582 [0,1,0,0,0,0|2,0,0]=3 144 B20R2.6651 O=C(NCc1ccccc1C)\C=C\c2ccncc2 Amb10708917 [0,1,0,0,0,0|2,0,0]=3 145 B20R2.6651 O=C(NCc1ccccc1Cl)CNc2ccccc2 Amb11230227 [0,1,0,0,0,0|2,0,1]=4 146 B20R2.6651 O=C(NCc1ccccc1Cl)COc2ccccc2 Amb1233332 [0,1,0,0,0,0|2,0,1]=4 147 B20R2.6651 O=C(NCc1ccccc1Cl)CSc2ccccc2 Amb1193923 [0,1,0,0,0,0|2,0,1]=4 148 B20R2.6651 O=C(NCc1ccccc1Cl)NCc2ccccc2 Amb16004614 [0,1,0,0,0,0|2,0,1]=4 149 B20R2.6651 O=C(NCc1ccccc1Cl)\C=C\c2ccccc2 Amb1243534 [0,1,0,0,0,0|1,0,0]=2 150 B20R2.6651 O=C(NCc1ccccc1Cl)\C=C\c2cccnc2 Amb10629870 [0,1,0,0,0,0|2,0,0]=3 151 B20R2.6651 O=C(NCc1ccccc1Cl)\C=C\c2ccncc2 Amb10708881 [0,1,0,0,0,0|2,0,0]=3 152 B20R2.6651 O=C(NCc1ccccc1F)C#Cc2ccccc2 Amb2085422 [0,1,0,0,0,0|1,0,2]=4 153 B20R2.6651 O=C(NCc1ccccc1F)CCc2ccccc2 Amb2020102 [0,1,0,0,0,0|1,0,2]=4 154 B20R2.6651 O=C(NCc1ccccc1F)CNc2ccccc2 Amb11245325 [0,1,0,0,0,0|2,0,1]=4 155 B20R2.6651 O=C(NCc1ccccc1F)COc2ccccc2 Amb1234301 [0,1,0,0,0,0|2,0,1]=4 156 B20R2.6651 O=C(NCc1ccccc1F)CSc2ccccc2 Amb2020151 [0,1,0,0,0,0|2,0,1]=4 157 B20R2.6651 O=C(NCc1ccccc1F)NCc2ccccc2 Amb16005046 [0,1,0,0,0,0|2,0,1]=4 158 B20R2.6651 O=C(NCc1ccccc1F)\C=C\c2cccnc2 Amb10629880 [0,1,0,0,0,0|2,0,0]=3 159 B20R2.6651 O=C(NCc1ccccc1F)\C=C\c2ccncc2 Amb10708902 [0,1,0,0,0,0|2,0,0]=3 160 B20R2.6651 O=C(\C=C\c1ccccc1Cl)NCc2ccccc2 Amb19520082 [0,1,0,0,0,0|1,0,0]=2 161 B20R2.21590 CC(C(=O)NCc1ccccc1)Sc2ccccc2 Amb1225183 [0,1,0,0,0,0|2,0,1]=4 162 B20R2.21590 CC(OCc1ccccc1)C(=O)Nc2ccccc2 Amb24101175 [0,1,0,0,0,0|2,0,1]=4 163 B20R2.21590 CN(C(=O)CNc1ccccc1)Cc2ccccc2 Amb17161941 [0,1,0,0,0,0|2,0,1]=4 164 B20R2.21590 CN(C(=O)COc1ccccc1)Cc2ccccc2 Amb2456823 [0,1,0,0,0,0|2,0,1]=4 165 B20R2.21590 CN(Cc1c[n]ccc1)C(=O)OCc2ccccc2 Amb24584209 [0,1,0,0,0,0|2,0,1]=4 166 B20R2.21590 CN(Cc1cc[n]cc1)C(=O)OCc2ccccc2 Amb25369945 [0,1,0,0,0,0|2,0,1]=4 167 B20R2.21590 CN(Cc1cccc[n]1)C(=O)OCc2ccccc2 Amb25728568 [0,1,0,0,0,0|2,0,1]=4 168 B20R2.21590 CN(Cc1ccccc1)C(=O)C=Cc2ccc[n]c2 Amb20911075 [0,1,0,0,0,0|2,0,0]=3 169 B20R2.21590 NC(Cc1ccccc1)C(=O)NCc2ccccc2 Amb19374690 [0,1,0,0,0,0|1,0,2]=4 170 B20R2.21590 NC(Cc1ccccc1)C(=O)OCc2ccccc2 Amb20240572 [0,1,0,0,0,0|0,0,2]=3 171 B20R2.21590 NC(Cc1ccccc1)C(=O)OCc2ccccc2 Amb22472260 [0,1,0,0,0,0|0,0,2]=3 172 B20R2.21590 N[C@H](Cc1ccccc1)C(=O)OCc2ccccc2 Amb17678760 [0,1,0,0,0,0|0,0,2]=3 173 B20R2.21590 O=C(C(=O)NNc1ccccc1)Nc2ccccc2 Amb2230099 [0,1,0,0,0,0|3,0,0]=4 174 B20R2.21590 O=C(C(=O)Nc1ccccc1)NCc2ccccc2 Amb1781116 [0,1,0,0,0,0|2,0,0]=3 175 B20R2.21590 O=C(C(=O)Nc1ccccc1)NCc2cccnc2 Amb1259270 [0,1,0,0,0,0|3,0,0]=4 176 B20R2.21590 O=C(C(=O)Nc1ccccc1)NCc2ccncc2 Amb1259271 [0,1,0,0,0,0|3,0,0]=4 177 B20R2.21590 O=C(C(=O)Nc1cccnc1)NCc2ccccc2 Amb1006946 [0,1,0,0,0,0|3,0,0]=4 178 B20R2.21590 O=C(C(=S)Nc1ccccc1)NCc2ccccc2 Amb2229623 [0,1,0,0,0,0|2,0,0]=3 179 B20R2.21590 O=C(OCc1ccccc1)C(Br)Cc2ccccc2 Amb22491365 [0,1,0,0,0,0|0,0,2]=3 180 B20R2.21590 O=C(OCc1ccccc1)[C@@H](Br)Cc2ccccc2 Amb22748784 [0,1,0,0,0,0|0,0,2]=3 181 B20R2.21590 O=C([C@H](Cc1ccccc1)N)OCc2ccccc2 Amb10604193 [0,1,0,0,0,0|0,0,2]=3 182 B20R2.21590 O=C([C@H](Cc1ccccc1)O)OCc2ccccc2 Amb10575846 [0,1,0,0,0,0|0,0,2]=3 183 B20R2.21590 O=C(\C(=C/c1ccccc1)\C)NCc2cccnc2 Amb1824284 [0,1,0,0,0,0|2,0,0]=3 184 B20R2.21596 CC(NC(=O)CNc1ccccc1)c2ccccc2 Amb19968130 [0,1,0,0,0,0|2,0,1]=4 185 B20R2.21596 CC(NC(=O)OCc1ccccc1)c2ccc[n]c2 Amb25780499 [0,1,0,0,0,0|2,0,1]=4 186 B20R2.21596 C[C@@H](NC(=O)CSc1ccccc1)c2ccccc2 Amb23523057 [0,1,0,0,0,0|2,0,1]=4 187 B20R2.21596 C[C@@H](NC(=O)OCc1ccccc1)c2ccccc2 Amb25318148 [0,1,0,0,0,0|1,0,1]=3 188 B20R2.21596 C[C@H](NC(=O)OCc1ccccc1)c2cccc[n]2 Amb25717844 [0,1,0,0,0,0|2,0,1]=4 189 B20R2.21596 C\C(=C/C(=O)c1ccc[n]c1)\NCc2ccccc2 Amb20231798 [0,1,0,0,0,0|3,0,0]=4 190 B20R2.21596 C\C(=C/C(=O)c1ccccc1)\NCc2c[n]ccc2 Amb20231681 [0,1,0,0,0,0|3,0,0]=4 191 B20R2.21596 C\C(=C\C(=O)c1ccccc1)\NCc2ccccc2 Amb2386635 [0,1,0,0,0,0|2,0,0]=3 192 B20R2.21596 NC(NC(=O)OCc1ccccc1)c2ccccc2 Amb25810647 [0,1,0,0,0,0|1,0,1]=3 193 B20R2.21596 O=C(CC(=O)c1ccccc1)C#Cc2ccccc2 Amb10574289 [0,1,0,0,0,0|1,0,2]=4 194 B20R2.21596 O=C(CC(=O)c1ccccc1)\C=C\c2ccccc2 Amb10574288 [0,1,0,0,0,0|1,0,1]=3 195 B20R2.21596 O=C(CCc1ccccc1)NC(=O)c2ccccc2 Amb22460271 [0,1,0,0,0,0|2,0,0]=3 196 B20R2.21596 O=C(NC(=O)c1ccccc1)C#Cc2ccccc2 Amb17779103 [0,1,0,0,0,0|2,0,1]=4 197 B20R2.21596 O=C(NC(c1ccccc1)C)CCc2ccccc2 Amb1791728 [0,1,0,0,0,0|1,0,2]=4 198 B20R2.21596 O=C(NC(c1ccccc1)C)NCc2ccccc2 Amb2582387 [0,1,0,0,0,0|2,0,1]=4 199 B20R2.21596 O=C(NC(c1ccccc1)C)\C=C\c2cccnc2 Amb10629861 [0,1,0,0,0,0|2,0,0]=3 200 B20R2.21596 O=C(NC(c1ccccc1)C)\C=C\c2ccncc2 Amb10631470 [0,1,0,0,0,0|2,0,0]=3 201 B20R2.21596 O=C(NC(c1ccccn1)C)\C=C\c2cccnc2 Amb10630573 [0,1,0,0,0,0|3,0,0]=4 202 B20R2.21596 O=C(N[C@@H](c1ccccc1)C)COc2ccccc2 Amb1832196 [0,1,0,0,0,0|2,0,1]=4 203 B20R2.21596 O=C(\C=C(\c1ccccc1)/C)NCc2ccccc2 Amb16797073 [0,1,0,0,0,0|1,0,0]=2 204 B20R2.21596 O=C(\C=C(\c1ccccc1)/C)NCc2ccccn2 Amb16797079 [0,1,0,0,0,0|2,0,0]=3 205 B20R2.21596 O=C(\C=C(\c1ccccc1)/C)NCc2cccnc2 Amb16797080 [0,1,0,0,0,0|2,0,0]=3 206 B20R2.21596 O=C(\C=C(\c1ccccc1)/C)NCc2ccncc2 Amb16797081 [0,1,0,0,0,0|2,0,0]=3 207 B20R2.21596 S=C(NC(=O)c1ccccc1)NCc2ccccc2 Amb1206090 [0,1,0,0,0,0|2,1,0]=4 208 B20R2.21596 [O-]\[N+](=N\C(=O)OCc1ccccc1)\c2ccccc2 Amb24688127 [0,1,0,0,0,0|2,0,0]=3 209 B20R2.2714576 ClP(=O)(OCc1ccccc1)OCc2ccccc2 Amb17612519 [0,1,0,0,0,0|2,0,1]=4 210 B20R2.2714576 O=S(=O)(NCc1ccccn1)\C=C\c2ccccc2 Amb2271986 [0,1,0,0,0,0|3,0,0]=4 211 B20R2.2714576 O=S(=O)(\C=C\c1ccccc1)NCc2ccccc2 Amb1251732 [0,1,0,0,0,0|2,0,0]=3 212 B20R2.2714576 O=S(=O)(\C=C\c1ccccc1)NNc2ccccc2 Amb1251866 [0,1,0,0,0,0|3,0,0]=4 213 B20R2.2714576 O=S(=O)(\N=C\c1ccccc1)CCc2ccccc2 Amb1153406 [0,1,0,0,0,0|3,0,0]=4 214 B20R2.2714576 OP(=O)(\C=C\c1ccccc1)C=Cc2ccccc2 Amb24224867 [0,1,0,0,0,0|2,0,1]=4 215 B20R2.2714576 OP(=O)(\C=C\c1ccccc1)\C=C\c2ccccc2 Amb1145093 [0,1,0,0,0,0|2,0,1]=4 216 B20R2.2714576 [O-]P(=O)(OCc1ccccc1)OCc2ccccc2 Amb22230524 [0,1,0,0,0,0|2,0,1]=4 217 B20R2.2714576 [O-]P(=O)(OCc1ccccc1)OCc2ccccc2 Amb22734475 [0,1,0,0,0,0|2,0,1]=4 218 B20R2.2714576 [O-]P(=O)(OCc1ccccc1)OCc2ccccc2 Amb22753905 [0,1,0,0,0,0|2,0,1]=4 219 B20R3.451 NC1C=Cc2ccccc2N1Cc3ccccc3 Amb24531269 [0,0,0,1,0,0|2,0,1]=4 220 B20R3.451 O=C1C=Nc2ccccc2N1Cc3ccccc3 Amb20051404 [0,0,0,1,0,0|2,0,0]=3 221 B20R3.451 O=C1CNc2c(N1Cc3ccccc3)cccc2 Amb17254249 [0,0,0,1,0,0|2,0,1]=4 222 B20R3.451 O=C1COc2c(N1Cc3ccccc3)cccc2 Amb1398825 [0,0,0,1,0,0|2,0,1]=4 223 B20R3.451 Oc1ccc2c(c1Cc3ccccc3)cccc2 Amb10558975 [0,0,0,1,0,0|1,0,1]=3 224 B20R3.11933 Cc1cc(n(n1)c2ccccc2)c3ccccc3 Amb1781206 [0,0,0,1,0,0|3,0,0]=4 225 B20R3.11933 Nc1cc(-c2ccccc2)[n]([n]1)-c3ccccc3 Amb22458365 [0,0,0,1,0,0|3,0,0]=4 226 B20R3.11933 Nc1nc(c(o1)c2ccccc2)c3ccccc3 Amb1150995 [0,0,0,1,0,0|2,0,1]=4 227 B20R3.11933 O=C1C=C(c2ccccc2)N(N1)c3ccccc3 Amb22171362 [0,0,0,1,0,0|2,0,0]=3 228 B20R3.11933 O=C1CC(C(=C1)c2ccccc2)c3ccccc3 Amb1934957 [0,0,0,1,0,0|1,0,0]=2 229 B20R3.11933 O=C1NC(=C(N1)c2ccccc2)c3ccccc3 Amb20001463 [0,0,0,1,0,0|2,0,1]=4 230 B20R3.11933 O=C1NC(=C(O1)c2ccccc2)c3ccccc3 Amb19204314 [0,0,0,1,0,0|1,0,1]=3 231 B20R3.11933 O=C1N[C@@H]([C@@H](O1)c2ccccc2)c3ccccc3 Amb10601669 [0,0,0,1,0,0|1,0,1]=3 232 B20R3.11933 O=C1N[C@H]([C@H](O1)c2ccccc2)c3ccccc3 Amb22351406 [0,0,0,1,0,0|1,0,1]=3 233 B20R3.11933 O=C1OC(=C(O1)c2ccccc2)c3ccccc3 Amb20671994 [0,0,0,1,0,0|1,0,1]=3 234 B20R3.11933 O=C1OC(C(=C1)c2ccccc2)c3ccccc3 Amb10566533 [0,0,0,1,0,0|0,0,0]=1 235 B20R3.11933 O=C1OC(C(O1)c2ccccc2)c3ccccc3 Amb22730559 [0,0,0,1,0,0|1,0,1]=3 236 B20R3.11933 O=c1cc(n(o1)c2ccccc2)c3ccccc3 Amb10575713 [0,0,0,1,0,0|1,0,0]=2 237 B20R3.11933 O=c1oc(c([nH]1)c2ccccc2)c3ccccc3 Amb1152235 [0,0,0,1,0,0|1,0,1]=3 238 B20R3.11933 Oc1[n]c(c(o1)-c2ccccc2)-c3ccccc3 Amb22653380 [0,0,0,1,0,0|1,0,2]=4 239 B20R3.11933 S=C1NC(=C(O1)c2ccccc2)c3ccccc3 Amb19394423 [0,0,0,1,0,0|1,1,1]=4 240 B20R3.11933 S=c1oc(c([nH]1)c2ccccc2)c3ccccc3 Amb1159082 [0,0,0,1,0,0|1,1,1]=4 241 B20R3.13355 O=C1CC(N1Cc2ccccc2)c3ccccc3 Amb17689458 [0,0,0,1,0,0|1,0,2]=4 242 B20R3.30190 C(Oc1cc2[n]c[n]cc2cc1)c3ccccc3 Amb24334179 [0,0,0,1,0,0|3,0,0]=4 243 B20R3.30190 C(Oc1cc2[n]cccc2cc1)c3ccccc3 Amb24063209 [0,0,0,1,0,0|2,0,0]=3 244 B20R3.30190 C(Oc1cc2ccc[n]c2cc1)c3ccccc3 Amb19108440 [0,0,0,1,0,0|2,0,0]=3 245 B20R3.30190 C(Oc1ccc2ccccc2[n]1)c3ccccc3 Amb22481147 [0,0,0,1,0,0|1,0,0]=2 246 B20R3.30190 C(Sc1cc2ccccc2cc1)c3c[n]ccc3 Amb21252974 [0,0,0,1,0,0|2,1,0]=4 247 B20R3.30190 C(Sc1cc2ccccc2cc1)c3cccc[n]3 Amb21188882 [0,0,0,1,0,0|2,1,0]=4 248 B20R3.30190 C(Sc1ccc2ccccc2[n]1)c3c[n]ccc3 Amb20792187 [0,0,0,1,0,0|2,1,0]=4 249 B20R3.30190 C(Sc1ccc2ccccc2[n]1)c3cccc[n]3 Amb20792186 [0,0,0,1,0,0|2,1,0]=4 250 B20R3.30190 c1c2ccccc2[n][n]c1\C=C\c3ccccc3 Amb22752039 [0,0,0,1,0,0|3,0,0]=4 251 B20R3.30190 c1c2ccccc2ccc1C#Cc3ccccc3 Amb21947817 [0,0,0,1,0,0|2,0,1]=4 252 B20R3.30190 c1cc2ccccc2[n]c1N=Nc3ccccc3 Amb22465134 [0,0,0,1,0,0|3,0,0]=4 253 B20R3.30190 c1cc2ccccc2[n]c1\C=C\c3ccccc3 Amb22051648 [0,0,0,1,0,0|2,0,1]=4 254 B20R3.30190 c1ccc(cc1)CCc2ccc3c(n2)cccc3 Amb16225646 [0,0,0,1,0,0|2,0,0]=3 255 B20R3.30190 c1ccc(cc1)CNc2cnc3c(n2)cccc3 Amb11278433 [0,0,0,1,0,0|3,0,0]=4 256 B20R3.30190 c1ccc(cc1)\C=C\c2ccc3c(c2)cccc3 Amb1625234 [0,0,0,1,0,0|2,0,1]=4 257 B20R3.30190 c1ccc(cc1)\C=C\c2ccc3c(n2)cccc3 Amb1159291 [0,0,0,1,0,0|2,0,1]=4 258 B18R2.2429 C\C(=C/c1ccccc1)\C=C\c2ccccc2 Amb22347628 [0,0,0,0,1,0|1,0,1]=3 259 B18R2.2429 C\C(=N/Nc1ccccc1)\Cc2ccccc2 Amb11012847 [0,0,0,0,1,0|3,0,0]=4 260 B18R2.2429 C\C(=N/c1ccccc1)\SCc2ccccc2 Amb10560873 [0,0,0,0,1,0|2,1,0]=4 261 B18R2.2429 N=C(NCc1ccccc1)Nc2ccccc2 Amb23917722 [0,0,0,0,1,0|3,0,0]=4 262 B18R2.2429 N\C(\Cc1ccccc1)=N\Cc2ccccc2 Amb23569056 [0,0,0,0,1,0|2,0,1]=4 263 B18R2.2429 O=C(C[n+]1ccccc1)NCc2ccccc2 Amb10554831 [0,0,0,0,1,0|2,0,1]=4 264 B18R2.2429 O=C(C[n+]1ccccc1)NNc2ccccc2 Amb10554578 [0,0,0,0,1,0|3,0,0]=4 265 B18R2.2429 O=C(C[n+]1ccccc1)NNc2ccccc2 Amb10554698 [0,0,0,0,1,0|3,0,0]=4 266 B18R2.2429 O=C(Cc1c[n]ccc1)NCc2ccccc2 Amb24500481 [0,0,0,0,1,0|2,0,1]=4 267 B18R2.2429 O=C(Cc1cccc[n]1)NCc2ccccc2 Amb24619255 [0,0,0,0,1,0|2,0,1]=4 268 B18R2.2429 O=C(Cc1ccccc1)C#Cc2ccccc2 Amb10562233 [0,0,0,0,1,0|0,0,2]=3 269 B18R2.2429 O=C(Cc1ccccc1)CCc2ccccc2 Amb10572893 [0,0,0,0,1,0|0,0,2]=3 270 B18R2.2429 O=C(Cc1ccccc1)OCc2ccccc2 Amb17940828 [0,0,0,0,1,0|0,0,1]=2 271 B18R2.2429 O=C(Cc1ccncc1)NCc2ccccc2 Amb10554798 [0,0,0,0,1,0|2,0,1]=4 272 B18R2.2429 O=C(NCc1c[n]ccc1)Oc2ccccc2 Amb24077741 [0,0,0,0,1,0|2,0,1]=4 273 B18R2.2429 O=C(NCc1cc[n]cc1)Oc2ccccc2 Amb24077742 [0,0,0,0,1,0|2,0,1]=4 274 B18R2.2429 O=C(NCc1cccc[n]1)Oc2ccccc2 Amb24077740 [0,0,0,0,1,0|2,0,1]=4 275 B18R2.2429 O=C(NCc1ccccc1)Oc2ccccc2 Amb22266656 [0,0,0,0,1,0|1,0,1]=3 276 B18R2.2429 O=C(Nc1c[n]cc[n]1)OCc2ccccc2 Amb23449909 [0,0,0,0,1,0|3,0,0]=4 277 B18R2.2429 O=C(Nc1ccccc1)CCc2ccccn2 Amb11617185 [0,0,0,0,1,0|3,0,0]=4 278 B18R2.2429 O=C(Nc1ccccc1)CCc2ccncc2 Amb11152357 [0,0,0,0,1,0|3,0,0]=4 279 B18R2.2429 O=C(Nc1ccccc1)CNc2ccccc2 Amb1196480 [0,0,0,0,1,0|2,0,1]=4 280 B18R2.2429 O=C(Nc1ccccc1)COc2ccccc2 Amb16206978 [0,0,0,0,1,0|2,0,1]=4 281 B18R2.2429 O=C(Nc1ccccc1)COc2ccccc2 Amb1793357 [0,0,0,0,1,0|2,0,1]=4 282 B18R2.2429 O=C(Nc1ccccc1)CSc2ccccc2 Amb1223901 [0,0,0,0,1,0|2,0,1]=4 283 B18R2.2429 O=C(Nc1ccccc1)NCc2ccccc2 Amb1233390 [0,0,0,0,1,0|2,0,0]=3 284 B18R2.2429 O=C(Nc1ccccc1)NNc2ccccc2 Amb1240786 [0,0,0,0,1,0|3,0,0]=4 285 B18R2.2429 O=C(Nc1ccccc1)\C=C\c2cccnc2 Amb11284360 [0,0,0,0,1,0|2,0,0]=3 286 B18R2.2429 O=C(Nc1ccccc1)\C=C\c2ccncc2 Amb10708868 [0,0,0,0,1,0|2,0,0]=3 287 B18R2.2429 O=C(Nc1ccccn1)OCc2ccccc2 Amb10608898 [0,0,0,0,1,0|2,0,0]=3 288 B18R2.2429 O=C(Nc1ccccn1)\C=C\c2ccccc2 Amb2518497 [0,0,0,0,1,0|2,0,0]=3 289 B18R2.2429 O=C(Nc1ccccn1)\C=C\c2cccnc2 Amb10707273 [0,0,0,0,1,0|3,0,0]=4 290 B18R2.2429 O=C(Nc1cccnc1)NCc2ccccc2 Amb145004 [0,0,0,0,1,0|3,0,0]=4 291 B18R2.2429 O=C(Nc1ccncc1)NCc2ccccc2 Amb11264270 [0,0,0,0,1,0|3,0,0]=4 292 B18R2.2429 O=C(Nc1ccncc1)OCc2ccccc2 Amb1901810 [0,0,0,0,1,0|2,0,0]=3 293 B18R2.2429 O=C(OCc1ccccc1)Oc2ccccc2 Amb21963907 [0,0,0,0,1,0|1,0,0]=2 294 B18R2.2429 O=S(Cc1ccccc1)CCc2ccccc2 Amb20963037 [0,0,0,0,1,0|1,0,2]=4 295 B18R2.11744 O=C(C=Cc1ccccc1)C=Cc2ccc[s]2 Amb22451127 [0,0,0,0,1,0|2,0,1]=4 296 B18R2.11744 O=C(CCc1ccco1)OCc2ccccc2 Amb21368268 [0,0,0,0,1,0|1,0,2]=4 297 B18R2.11744 O=C(NCc1ccco1)OCc2ccccc2 Amb25093127 [0,0,0,0,1,0|2,0,1]=4 298 B18R2.11744 O=C(NCc1ccco1)\C=C\c2ccccc2 Amb2551040 [0,0,0,0,1,0|2,0,0]=3 299 B18R2.11744 O=C(NCc1ccco1)\C=C\c2ccncc2 Amb10708863 [0,0,0,0,1,0|3,0,0]=4 300 B18R2.11744 O=C(NCc1cccs1)\C=C\c2ccccc2 Amb1812978 [0,0,0,0,1,0|2,0,0]=3 301 B18R2.11744 O=C(NCc1cccs1)\C=C\c2cccnc2 Amb11287184 [0,0,0,0,1,0|3,0,0]=4 302 B18R2.11744 O=C(NCc1cccs1)\C=C\c2ccncc2 Amb10724057 [0,0,0,0,1,0|3,0,0]=4 303 B18R2.11744 O=C(NCc1cocc1)OCc2ccccc2 Amb24619380 [0,0,0,0,1,0|2,0,1]=4 304 B18R2.11744 O=C(NCc1cscc1)OCc2ccccc2 Amb10945354 [0,0,0,0,1,0|2,0,1]=4 305 B18R2.11744 O=C(NCc1cscc1)\C=C\c2ccccc2 Amb10945353 [0,0,0,0,1,0|2,0,0]=3 306 B18R2.11744 O=C(OCc1cncs1)\C=C\c2ccccc2 Amb2441006 [0,0,0,0,1,0|2,0,0]=3 307 B18R2.11744 O=C(\C=C\c1ccc[n]c1)NCc2ccco2 Amb20902131 [0,0,0,0,1,0|3,0,0]=4 308 B18R2.11744 O=C(\C=C\c1ccco1)NCc2ccccn2 Amb1546580 [0,0,0,0,1,0|3,0,0]=4 309 B18R2.11744 O=C(\C=C\c1ccco1)NCc2ccncc2 Amb13835898 [0,0,0,0,1,0|3,0,0]=4 310 B18R2.11744 O=C(\C=C\c1ccco1)\C=C\c2ccccc2 Amb2435142 [0,0,0,0,1,0|2,0,1]=4 311 B18R2.11744 O=C(\C=C\c1cccs1)NCc2ccncc2 Amb13835917 [0,0,0,0,1,0|3,0,0]=4 312 B20R2.174735 NC(=NOCc1ccccc1)COc2ccccc2 Amb11246185 [0,0,0,0,0,1|2,0,1]=4 313 B20R2.174735 O=C(CCSc1ccccc1)OCc2ccccc2 Amb21120539 [0,0,0,0,0,1|0,0,2]=3 314 B20R2.174735 O=C(CCc1c[n]ccc1)NOCc2ccccc2 Amb21388051 [0,0,0,0,0,1|1,0,2]=4 315 B20R2.174735 O=C(CCc1ccccc1)NN=Cc2c[n]ccc2 Amb24076954 [0,0,0,0,0,1|3,0,0]=4 316 B20R2.174735 O=C(CCc1ccccc1)NOCc2ccccc2 Amb21387955 [0,0,0,0,0,1|0,0,2]=3 317 B20R2.174735 O=C(CCc1ccccc1)OCCc2ccccc2 Amb13982342 [0,0,0,0,0,1|0,0,2]=3 318 B20R2.174735 O=C(CNc1ccccc1)NCCc2ccccc2 Amb10672204 [0,0,0,0,0,1|2,0,1]=4 319 B20R2.174735 O=C(COCc1ccccc1)NCc2ccccc2 Amb21374405 [0,0,0,0,0,1|1,0,1]=3 320 B20R2.174735 O=C(COc1ccccc1)NCCc2ccccc2 Amb2456829 [0,0,0,0,0,1|2,0,1]=4 321 B20R2.174735 O=C(COc1ccccc1)N\N=C\c2ccccc2 Amb1672422 [0,0,0,0,0,1|3,0,0]=4 322 B20R2.174735 O=C(CSc1ccccc1)CCCc2ccccc2 Amb23997278 [0,0,0,0,0,1|2,0,1]=4 323 B20R2.174735 O=C(CSc1ccccc1)NOCc2ccccc2 Amb11211743 [0,0,0,0,0,1|1,0,1]=3 324 B20R2.174735 O=C(NCCc1c[n]ccc1)OCc2ccccc2 Amb24337420 [0,0,0,0,0,1|1,0,2]=4 325 B20R2.174735 O=C(NCCc1cc[n]cc1)OCc2ccccc2 Amb25706892 [0,0,0,0,0,1|1,0,2]=4 326 B20R2.174735 O=C(NCCc1cccc[n]1)OCc2ccccc2 Amb24337415 [0,0,0,0,0,1|1,0,2]=4 327 B20R2.174735 O=C(NCc1ccccc1)CCOc2ccccc2 Amb1252367 [0,0,0,0,0,1|1,0,2]=4 328 B20R2.174735 O=C(NCc1ccccc1)CSCc2ccccc2 Amb1214869 [0,0,0,0,0,1|1,0,2]=4 329 B20R2.174735 O=C(NCc1ccccc1)NCCc2ccccc2 Amb16004070 [0,0,0,0,0,1|1,0,2]=4 330 B20R2.174735 O=C(NCc1ccccc1)NOCc2ccccc2 Amb10690326 [0,0,0,0,0,1|1,0,1]=3 331 B20R2.174735 O=C(NCc1ccccn1)COCc2ccccc2 Amb10671843 [0,0,0,0,0,1|2,0,1]=4 332 B20R2.174735 O=C(NCc1cccnc1)COCc2ccccc2 Amb10671846 [0,0,0,0,0,1|2,0,1]=4 333 B20R2.174735 O=C(NNc1ccccc1)NCCc2ccccc2 Amb10660968 [0,0,0,0,0,1|3,0,0]=4 334 B20R2.174735 O=C(NOCc1ccccc1)NCc2ccc[n]c2 Amb21775005 [0,0,0,0,0,1|2,0,1]=4 335 B20R2.174735 O=C(OCc1ccccc1)COCc2ccccc2 Amb17608937 [0,0,0,0,0,1|0,0,2]=3 336 B20R2.174735 O=C(OCc1ccccc1)N\C=C\c2ccccc2 Amb2421770 [0,0,0,0,0,1|0,0,0]=1 337 B20R2.174735 O=C(\C=C\c1ccccc1)NCCc2c[n]c[n]c2 Amb23603441 [0,0,0,0,0,1|3,0,0]=4 338 B20R2.174735 O=C(\C=C\c1ccccc1)NOCc2ccccc2 Amb21387954 [0,0,0,0,0,1|0,0,0]=1 339 B20R2.174735 O=C(\C=C\c1ccccc1)\C=C\Nc2ccccc2 Amb10560233 [0,0,0,0,0,1|1,0,1]=3 340 B20R2.174735 O=C(\C=C\c1cccnc1)NCCc2ccccc2 Amb10629865 [0,0,0,0,0,1|2,0,0]=3 341 B20R2.174735 O=C(\C=C\c1cccnc1)NOCc2ccccc2 Amb11287279 [0,0,0,0,0,1|1,0,0]=2 342 B20R2.174735 O=C(\C=C\c1ccncc1)NCCc2ccccc2 Amb10710672 [0,0,0,0,0,1|2,0,0]=3 343 B19R2.8899 CN(\N=C\C=C\c1ccccc1)c2ccccc2 Amb22347694 [1,1,0,0,0,0|2,0,0]=4 344 B19R2.8899 O=C(CCOCc1ccccc1)c2ccccc2 Amb22232966 [1,1,0,0,0,0|0,0,2]=4 345 B19R2.8899 O=C(OC/C=C/c1ccccc1)c2ccccc2 Amb17777843 [1,1,0,0,0,0|0,0,2]=4 346 B19R2.8899 O=C(\C=C\CCc1ccccc1)c2ccccc2 Amb22173711 [1,1,0,0,0,0|1,0,0]=3 347 B19R2.8899 O=C(\C=C\NCc1c[n]ccc1)c2ccccc2 Amb20231586 [1,1,0,0,0,0|2,0,0]=4 348 B19R2.8899 O=C(\C=C\NCc1ccccc1)c2ccccc2 Amb20231577 [1,1,0,0,0,0|1,0,0]=3 349 B19R2.8899 O=C(c1ccccc1)\C=C/NCc2ccccc2 Amb2386634 [1,1,0,0,0,0|1,0,0]=3 350 B19R2.8899 O=S(\C=C/C=C/c1ccccc1)c2ccccc2 Amb24309138 [1,1,0,0,0,0|2,0,0]=4 351 B19R2.8899 OC(CCC=Cc1ccccc1)c2ccccc2 Amb23936559 [1,1,0,0,0,0|1,0,1]=4 352 B19R2.8900 CN(Cc1ccccc1)C\C=C\c2ccccc2 Amb24100434 [1,1,0,0,0,0|1,0,1]=4 353 B19R2.8900 N=C(Nc1ccccc1)NOCc2ccccc2 Amb24689425 [1,1,0,0,0,0|2,0,0]=4 354 B19R2.8900 NC(Cc1ccccc1)=NOCc2ccccc2 Amb21299899 [1,1,0,0,0,0|1,0,1]=4 355 B19R2.8900 O=C(COCc1ccccc1)Nc2ccccc2 Amb21374460 [1,1,0,0,0,0|1,0,1]=4 356 B19R2.8900 O=C(Cc1ccccc1)N\C=C\c2ccccc2 Amb10561816 [1,1,0,0,0,0|2,0,0]=4 357 B19R2.11855 Clc1ccc(COC\C=C\c2ccccc2)c[n]1 Amb24122621 [1,1,0,0,0,0|1,0,1]=4 358 B19R2.286 Cc1ccc(CCC(=O)Cc2ccccc2)cc1 Amb23950707 [0,1,0,0,1,0|0,0,2]=4 359 B19R2.286 Cc1ccc(cc1)C=CC(=O)Nc2ccccc2 Amb23911048 [0,1,0,0,1,0|1,0,0]=3 360 B19R2.286 O=C(C=Cc1ccc(Br)cc1)Nc2ccccc2 Amb23911042 [0,1,0,0,1,0|1,0,0]=3 361 B19R2.286 O=C(CCc1ccc(F)cc1)Oc2ccccc2 Amb21143533 [0,1,0,0,1,0|0,0,2]=4 362 B19R2.286 O=C(Cc1ccccc1)NCc2ccc(cc2)N Amb17158942 [0,1,0,0,1,0|1,0,1]=4 363 B19R2.286 O=C(Cc1ccccc1)\C=C\c2ccc(cc2)C Amb2411914 [0,1,0,0,1,0|0,0,0]=2 364 B19R2.286 O=C(Nc1ccccc1)CCc2ccc(cc2)Cl Amb1562698 [0,1,0,0,1,0|2,0,0]=4 365 B19R2.286 O=C(Nc1ccccc1)CCc2ccc(cc2)F Amb16207924 [0,1,0,0,1,0|2,0,0]=4 366 B19R2.286 O=C(Nc1ccccc1)NCc2ccc(cc2)C Amb1195872 [0,1,0,0,1,0|2,0,0]=4 367 B19R2.286 O=C(Nc1ccccc1)NCc2ccc(cc2)Cl Amb1228133 [0,1,0,0,1,0|2,0,0]=4 368 B19R2.286 O=C(Nc1ccccc1)\C=C\c2ccc(cc2)F Amb1546505 [0,1,0,0,1,0|1,0,0]=3 369 B19R2.286 O=C(Nc1cccnc1)\C=C\c2ccc(cc2)Cl Amb1554800 [0,1,0,0,1,0|2,0,0]=4 370 B19R2.286 O=C(Oc1ccccc1)COc2ccc(cc2)Br Amb2461856 [0,1,0,0,1,0|1,0,1]=4 371 B19R2.286 O=C(Oc1ccccc1)COc2ccc(cc2)C Amb2461978 [0,1,0,0,1,0|1,0,1]=4 372 B19R2.286 O=C(Oc1ccccc1)COc2ccc(cc2)F Amb2461738 [0,1,0,0,1,0|1,0,1]=4 373 B19R2.286 O=C(Oc1ccccc1)NCc2ccc(cc2)C Amb16191312 [0,1,0,0,1,0|1,0,1]=4 374 B19R2.286 O=S(Nc1ccccc1)\C=C\c2ccc(cc2)C Amb10559113 [0,1,0,0,1,0|2,0,0]=4 375 B19R2.286 O=S(Nc1ccccc1)\C=C\c2ccc(cc2)Cl Amb10559112 [0,1,0,0,1,0|2,0,0]=4 376 B19R2.286 Oc1ccc(cc1)\C=C\C(=O)Sc2ccccc2 Amb20248360 [0,1,0,0,1,0|0,1,0]=3 377 B19R2.4385 Cc1cc(CC(=O)CSc2ccccc2)ccc1 Amb23997260 [0,1,0,0,1,0|1,0,1]=4 378 B19R2.4385 Cc1cc(c[n]c1)NC(=O)OCc2ccccc2 Amb24689706 [0,1,0,0,1,0|2,0,0]=4 379 B19R2.4385 Cc1cc(cc[n]1)NC(=O)OCc2ccccc2 Amb24380911 [0,1,0,0,1,0|2,0,0]=4 380 B19R2.4385 Cc1cccc(NC(=O)OCc2ccccc2)[n]1 Amb24094836 [0,1,0,0,1,0|2,0,0]=4 381 B19R2.4385 Nc1cc(CC(=O)OCc2c[n]ccc2)ccc1 Amb23950308 [0,1,0,0,1,0|1,0,1]=4 382 B19R2.4385 Nc1cc(c[n]c1)NC(=O)OCc2ccccc2 Amb25311421 [0,1,0,0,1,0|2,0,0]=4 383 B19R2.4385 Nc1cc(ccc1)OC(=O)NCc2ccccc2 Amb25377979 [0,1,0,0,1,0|1,0,1]=4 384 B19R2.4385 Nc1cccc(NC(=O)OCc2ccccc2)[n]1 Amb24094937 [0,1,0,0,1,0|2,0,0]=4 385 B19R2.4385 O=C(C[n+]1cccc(c1)O)\C=C\c2ccccc2 Amb10554996 [0,1,0,0,1,0|1,0,0]=3 386 B19R2.4385 O=C(Cc1cc(Cl)ccc1)NCc2ccccc2 Amb20234628 [0,1,0,0,1,0|1,0,1]=4 387 B19R2.4385 O=C(Cc1cccc(Br)c1)CSc2ccccc2 Amb23997287 [0,1,0,0,1,0|1,0,1]=4 388 B19R2.4385 O=C(Cc1cccc(Cl)c1)CSc2ccccc2 Amb23997270 [0,1,0,0,1,0|1,0,1]=4 389 B19R2.4385 O=C(Cc1cccc(c1)N)NCc2ccccc2 Amb17048853 [0,1,0,0,1,0|1,0,1]=4 390 B19R2.4385 O=C(Nc1c[n]cc(Br)c1)OCc2ccccc2 Amb19959592 [0,1,0,0,1,0|2,0,0]=4 391 B19R2.4385 O=C(Nc1c[n]cc(F)c1)OCc2ccccc2 Amb25319090 [0,1,0,0,1,0|2,0,0]=4 392 B19R2.4385 O=C(Nc1cc(Cl)cc[n]1)OCc2ccccc2 Amb19959591 [0,1,0,0,1,0|2,0,0]=4 393 B19R2.4385 O=C(Nc1cc(I)cc[n]1)OCc2ccccc2 Amb22728658 [0,1,0,0,1,0|2,0,0]=4 394 B19R2.4385 O=C(Nc1cc[n]c(Cl)c1)OCc2ccccc2 Amb25831864 [0,1,0,0,1,0|2,0,0]=4 395 B19R2.4385 O=C(Nc1cccc(Br)c1)OCc2ccccc2 Amb22462977 [0,1,0,0,1,0|1,0,0]=3 396 B19R2.4385 O=C(Nc1cccc(F)[n]1)OCc2ccccc2 Amb25026042 [0,1,0,0,1,0|2,0,0]=4 397 B19R2.4385 O=C(Nc1cccc(F)c1)SCc2ccccc2 Amb22360083 [0,1,0,0,1,0|1,1,0]=4 398 B19R2.4385 O=C(Nc1cccc(c1)Br)\C=C\c2ccccc2 Amb1883272 [0,1,0,0,1,0|1,0,0]=3 399 B19R2.4385 O=C(Nc1cccc(c1)C)NCc2ccccc2 Amb2236968 [0,1,0,0,1,0|2,0,0]=4 400 B19R2.4385 O=C(Nc1cccc(c1)C)OCc2ccccc2 Amb1040441 [0,1,0,0,1,0|1,0,0]=3 401 B19R2.4385 O=C(Nc1cccc(c1)C)\C=C\c2cccnc2 Amb10706174 [0,1,0,0,1,0|2,0,0]=4 402 B19R2.4385 O=C(Nc1cccc(c1)C)\C=C\c2ccncc2 Amb10708870 [0,1,0,0,1,0|2,0,0]=4 403 B19R2.4385 O=C(Nc1cccc(c1)Cl)NCc2ccccc2 Amb1772054 [0,1,0,0,1,0|2,0,0]=4 404 B19R2.4385 O=C(Nc1cccc(c1)Cl)\C=C\c2cccnc2 Amb11284364 [0,1,0,0,1,0|2,0,0]=4 405 B19R2.4385 O=C(Nc1cccc(c1)F)CCc2ccccc2 Amb1008925 [0,1,0,0,1,0|2,0,0]=4 406 B19R2.4385 O=C(Nc1cccc(c1)F)\C=C\c2ccccc2 Amb1885251 [0,1,0,0,1,0|1,0,0]=3 407 B19R2.4385 O=C(Nc1cccc(c1)F)\C=C\c2cccnc2 Amb10706179 [0,1,0,0,1,0|2,0,0]=4 408 B19R2.4385 O=C(Nc1cccc(c1)F)\C=C\c2ccncc2 Amb10708874 [0,1,0,0,1,0|2,0,0]=4 409 B19R2.4385 O=C(Nc1cccc(c1)I)CCc2ccccc2 Amb1882948 [0,1,0,0,1,0|2,0,0]=4 410 B19R2.4385 O=C(Nc1cccc(c1)I)NCc2ccccc2 Amb11249587 [0,1,0,0,1,0|2,0,0]=4 411 B19R2.4385 O=C(Nc1cccc(c1)N)CCc2ccccc2 Amb1129974 [0,1,0,0,1,0|2,0,0]=4 412 B19R2.4385 O=C(Nc1cccc(c1)N)\C=C\c2ccccc2 Amb17070736 [0,1,0,0,1,0|1,0,0]=3 413 B19R2.4385 O=C(Nc1cccc(c1)O)\C=C\c2ccccc2 Amb2550182 [0,1,0,0,1,0|1,0,0]=3 414 B19R2.4385 O=C(Nc1cccc(n1)C)C=Cc2ccccc2 Amb11232445 [0,1,0,0,1,0|2,0,0]=4 415 B19R2.4385 O=C(\C=C\c1c[n]ccc1)Nc2cc(I)ccc2 Amb20911712 [0,1,0,0,1,0|2,0,0]=4 416 B19R2.4385 O=C(\C=C\c1cc[n]cc1)Nc2cc(Br)ccc2 Amb20923321 [0,1,0,0,1,0|2,0,0]=4 417 B19R2.4385 O=C(\C=C\c1cc[n]cc1)Nc2cc(Cl)ccc2 Amb20923329 [0,1,0,0,1,0|2,0,0]=4 418 B19R2.4385 Oc1cc(CC(=O)NCc2ccccc2)ccc1 Amb25379209 [0,1,0,0,1,0|1,0,1]=4 419 B19R2.4482 Nc1ccccc1/C=C\C(=O)Oc2ccccc2 Amb17843218 [0,1,0,0,1,0|0,0,0]=2 420 B19R2.4482 O=C(C=Cc1ccccc1F)Nc2ccccc2 Amb23911049 [0,1,0,0,1,0|1,0,0]=3 421 B19R2.4482 O=C(CCc1ccccc1Cl)Oc2ccccc2 Amb21522929 [0,1,0,0,1,0|0,0,2]=4 422 B19R2.4482 O=C(CCc1ccccc1F)Oc2ccccc2 Amb20705732 [0,1,0,0,1,0|0,0,2]=4 423 B19R2.4482 O=C(Cc1ccccc1)NCc2ccccc2Br Amb2134769 [0,1,0,0,1,0|1,0,1]=4 424 B19R2.4482 O=C(Cc1ccccc1)NCc2ccccc2F Amb1244074 [0,1,0,0,1,0|1,0,1]=4 425 B19R2.4482 O=C(Cc1ccccc1)NNc2ccccc2C Amb1233538 [0,1,0,0,1,0|2,0,0]=4 426 B19R2.4482 O=C(NCc1ccccc1F)Oc2ccccc2 Amb22265752 [0,1,0,0,1,0|1,0,1]=4 427 B19R2.4482 O=C(Nc1ccccc1)CCc2ccccc2Cl Amb2141527 [0,1,0,0,1,0|2,0,0]=4 428 B19R2.4482 O=C(Nc1ccccc1)CCc2ccccc2F Amb15865716 [0,1,0,0,1,0|2,0,0]=4 429 B19R2.4482 O=C(Nc1ccccc1)NCc2ccccc2Cl Amb1095976 [0,1,0,0,1,0|2,0,0]=4 430 B19R2.4482 O=C(Oc1ccccc1)NCc2ccccc2Cl Amb16191310 [0,1,0,0,1,0|1,0,1]=4 431 B19R2.4482 Oc1ccccc1CNC(=O)Nc2ccccc2 Amb17779389 [0,1,0,0,1,0|2,0,0]=4 432 B19R2.4485 Cc1c[n]ccc1NC(=O)OCc2ccccc2 Amb25099650 [0,1,0,0,1,0|2,0,0]=4 433 B19R2.4485 Cc1ccccc1CC(=O)CSc2ccccc2 Amb23997288 [0,1,0,0,1,0|1,0,1]=4 434 B19R2.4485 Cc1ccccc1CC(=O)OCc2cccc[n]2 Amb21376536 [0,1,0,0,1,0|1,0,1]=4 435 B19R2.4485 Nc1[n]cccc1NC(=O)OCc2ccccc2 Amb18664595 [0,1,0,0,1,0|2,0,0]=4 436 B19R2.4485 Nc1ccccc1NC(=O)OCc2ccccc2 Amb21859117 [0,1,0,0,1,0|1,0,0]=3 437 B19R2.4485 Nc1ccccc1OC(=O)NCc2ccccc2 Amb25377974 [0,1,0,0,1,0|1,0,1]=4 438 B19R2.4485 O=C(C[n+]1ccccc1Br)OCc2ccccc2 Amb22040315 [0,1,0,0,1,0|1,0,1]=4 439 B19R2.4485 O=C(Cc1ccccc1Br)NCc2ccccc2 Amb16206867 [0,1,0,0,1,0|1,0,1]=4 440 B19R2.4485 O=C(Cc1ccccc1Br)OCc2ccccc2 Amb22491622 [0,1,0,0,1,0|0,0,1]=3 441 B19R2.4485 O=C(Cc1ccccc1F)NCc2ccccc2 Amb2296910 [0,1,0,0,1,0|1,0,1]=4 442 B19R2.4485 O=C(Cc1ccccc1F)OCc2cccc[n]2 Amb21130568 [0,1,0,0,1,0|1,0,1]=4 443 B19R2.4485 O=C(NC1=CC=CNC1=O)OCc2ccccc2 Amb19958423 [0,1,0,0,1,0|2,0,0]=4 444 B19R2.4485 O=C(Nc1[n]cccc1F)OCc2ccccc2 Amb24332905 [0,1,0,0,1,0|2,0,0]=4 445 B19R2.4485 O=C(Nc1c[n]ccc1Cl)OCc2ccccc2 Amb22235781 [0,1,0,0,1,0|2,0,0]=4 446 B19R2.4485 O=C(Nc1ccc[n]c1Br)OCc2ccccc2 Amb25792526 [0,1,0,0,1,0|2,0,0]=4 447 B19R2.4485 O=C(Nc1ccccc1Br)NCc2ccccc2 Amb2178516 [0,1,0,0,1,0|2,0,0]=4 448 B19R2.4485 O=C(Nc1ccccc1C)NCc2ccccc2 Amb2236964 [0,1,0,0,1,0|2,0,0]=4 449 B19R2.4485 O=C(Nc1ccccc1C)\C=C\c2cccnc2 Amb11286972 [0,1,0,0,1,0|2,0,0]=4 450 B19R2.4485 O=C(Nc1ccccc1C)\C=C\c2ccncc2 Amb10639567 [0,1,0,0,1,0|2,0,0]=4 451 B19R2.4485 O=C(Nc1ccccc1Cl)\C=C\c2cccnc2 Amb10706178 [0,1,0,0,1,0|2,0,0]=4 452 B19R2.4485 O=C(Nc1ccccc1Cl)\C=C\c2ccncc2 Amb10631471 [0,1,0,0,1,0|2,0,0]=4 453 B19R2.4485 O=C(Nc1ccccc1F)\C=C\c2ccccc2 Amb1882820 [0,1,0,0,1,0|1,0,0]=3 454 B19R2.4485 O=C(Nc1ccccc1F)\C=C\c2cccnc2 Amb11284455 [0,1,0,0,1,0|2,0,0]=4 455 B19R2.4485 O=C(Nc1ccccc1F)\C=C\c2ccncc2 Amb10708877 [0,1,0,0,1,0|2,0,0]=4 456 B19R2.4485 O=C(Nc1ccccc1I)NCc2ccccc2 Amb11340989 [0,1,0,0,1,0|2,0,0]=4 457 B19R2.4485 O=C(Nc1ccccc1I)\C=C\c2ccccc2 Amb1810306 [0,1,0,0,1,0|1,0,0]=3 458 B19R2.4485 O=C(Nc1ccccc1N)CCc2ccccc2 Amb1140148 [0,1,0,0,1,0|2,0,0]=4 459 B19R2.4485 O=C(Nc1ccccc1O)NCc2ccccc2 Amb17596711 [0,1,0,0,1,0|2,0,0]=4 460 B19R2.4485 O=C(Nc1ccccc1O)\C=C\c2ccccc2 Amb2550181 [0,1,0,0,1,0|1,0,0]=3 461 B19R2.4485 O=C(Oc1ccccc1C)COc2ccccc2 Amb2562503 [0,1,0,0,1,0|1,0,1]=4 462 B19R2.4485 O=C(Oc1ccccc1Cl)CCc2ccccc2 Amb2563147 [0,1,0,0,1,0|0,0,2]=4 463 B19R2.7672 Cc1cc(ccc1)\C=C\C(=O)Nc2cc[n]cc2 Amb20894628 [0,1,0,0,1,0|2,0,0]=4 464 B19R2.7672 Nc1cc(CNC(=O)Nc2ccccc2)ccc1 Amb23950514 [0,1,0,0,1,0|2,0,0]=4 465 B19R2.7672 Nc1cc(ccc1)OCC(=O)Oc2ccccc2 Amb23003497 [0,1,0,0,1,0|1,0,1]=4 466 B19R2.7672 O=C(C=Cc1cc(F)ccc1)Nc2ccccc2 Amb23911052 [0,1,0,0,1,0|1,0,0]=3 467 B19R2.7672 O=C(CCc1cccc(Br)c1)Nc2ccccc2 Amb22288993 [0,1,0,0,1,0|2,0,0]=4 468 B19R2.7672 O=C(Cc1ccccc1)CSc2cc(F)ccc2 Amb24015203 [0,1,0,0,1,0|1,0,1]=4 469 B19R2.7672 O=C(NCc1cc(Cl)ccc1)Oc2ccccc2 Amb22265753 [0,1,0,0,1,0|1,0,1]=4 470 B19R2.7672 O=C(NCc1cc(F)ccc1)Oc2ccccc2 Amb23915069 [0,1,0,0,1,0|1,0,1]=4 471 B19R2.7672 O=C(Nc1ccccc1)CCc2cccc(c2)C Amb11260541 [0,1,0,0,1,0|2,0,0]=4 472 B19R2.7672 O=C(Nc1ccccc1)CCc2cccc(c2)F Amb16207892 [0,1,0,0,1,0|2,0,0]=4 473 B19R2.7672 O=C(Nc1ccccc1)NCc2cccc(c2)F Amb11315152 [0,1,0,0,1,0|2,0,0]=4 474 B19R2.7672 O=C(Nc1ccccc1)NCc2cccc(c2)O Amb11440822 [0,1,0,0,1,0|2,0,0]=4 475 B19R2.7672 O=C(Nc1ccccc1)\C=C\c2cccc(c2)Cl Amb1545090 [0,1,0,0,1,0|1,0,0]=3 476 B19R2.7672 O=C(Nc1ccccc1)\C=C\c2cccc(c2)N Amb17158610 [0,1,0,0,1,0|1,0,0]=3 477 B19R2.7672 O=C(Nc1ccccn1)\C=C\c2cccc(c2)F Amb11278027 [0,1,0,0,1,0|2,0,0]=4 478 B19R2.7672 O=C(Nc1cccnc1)\C=C\c2cccc(c2)F Amb16207790 [0,1,0,0,1,0|2,0,0]=4 479 B19R2.7672 O=C(Oc1cccnc1)\C=C\c2cccc(c2)I Amb16766219 [0,1,0,0,1,0|1,0,0]=3 480 B19R2.7672 O=C(\C=C\c1cc(F)ccc1)Nc2cc[n]cc2 Amb20894610 [0,1,0,0,1,0|2,0,0]=4 481 B19R2.8924 BrC(C(=O)Nc1ccccc1)Cc2ccccc2 Amb1766311 [0,1,0,0,1,0|2,0,0]=4 482 B19R2.8924 C=C(Cc1ccccc1)C(=C)Cc2ccccc2 Amb22347880 [0,1,0,0,1,0|1,0,1]=4 483 B19R2.8924 CN(C(=O)Nc1ccccc1)Cc2ccccc2 Amb1233808 [0,1,0,0,1,0|2,0,0]=4 484 B19R2.8924 CN(Cc1ccccc1)C(=O)Oc2ccccc2 Amb22285404 [0,1,0,0,1,0|1,0,1]=4 485 B19R2.8924 NC(Cc1ccccc1)C(=O)Nc2ccccc2 Amb21958899 [0,1,0,0,1,0|2,0,0]=4 486 B19R2.8924 NC(Cc1ccccc1)C(=O)Sc2ccccc2 Amb24309654 [0,1,0,0,1,0|2,0,0]=4 487 B19R2.8924 O=C(C(=O)Cc1ccccc1)Nc2ccccc2 Amb10559244 [0,1,0,0,1,0|1,0,0]=3 488 B19R2.8924 O=C(Cc1ccccc1)C(=O)Cc2ccccc2 Amb17777122 [0,1,0,0,1,0|0,0,1]=3 489 B19R2.8924 O=C(Oc1ccccc1)C(=O)Oc2ccccc2 Amb22051616 [0,1,0,0,1,0|1,0,0]=3 490 B19R2.8929 CC(=Cc1ccccc1)OC(=O)c2ccccc2 Amb24064890 [0,1,0,0,1,0|1,0,1]=4 491 B19R2.8929 C\C(=C/C(=O)c1ccccc1)\Nc2ccccc2 Amb20231660 [0,1,0,0,1,0|2,0,0]=4 492 B19R2.8929 N=C(CC(=O)Nc1ccccc1)c2ccccc2 Amb22453838 [0,1,0,0,1,0|1,0,1]=4 493 B19R2.8929 O=C(CC(=O)c1ccccc1)Nc2ccccc2 Amb1208568 [0,1,0,0,1,0|1,0,1]=4 494 B19R2.8929 O=C(NC(=O)c1ccccc1)Nc2ccccc2 Amb1195998 [0,1,0,0,1,0|2,0,0]=4 495 B19R2.8929 OC(CC(=O)Nc1ccccc1)c2ccccc2 Amb22453835 [0,1,0,0,1,0|2,0,0]=4 496 B19R2.8929 OC(CC(=O)Oc1ccccc1)c2ccccc2 Amb17844456 [0,1,0,0,1,0|0,0,2]=4 497 B19R2.11857 Cc1ccc(CC(=O)CSc2ccccc2)cc1 Amb23997279 [0,1,0,0,1,0|1,0,1]=4 498 B19R2.11857 Cc1ccc(NC(=O)OCc2ccccc2)[n]c1 Amb24094834 [0,1,0,0,1,0|2,0,0]=4 499 B19R2.11857 Cc1ccc(c[n]1)NC(=O)OCc2ccccc2 Amb25167243 [0,1,0,0,1,0|2,0,0]=4 500 B19R2.11857 Cc1ccc(cc1)NC(=O)\C=C\c2cc[n]cc2 Amb21448546 [0,1,0,0,1,0|2,0,0]=4 501 B19R2.11857 O=C(Cc1ccc(Br)cc1)COc2ccccc2 Amb23954989 [0,1,0,0,1,0|1,0,1]=4 502 B19R2.11857 O=C(Cc1ccc(Br)cc1)CSc2ccccc2 Amb23997284 [0,1,0,0,1,0|1,0,1]=4 503 B19R2.11857 O=C(Cc1ccc(Cl)cc1)COc2ccccc2 Amb23954988 [0,1,0,0,1,0|1,0,1]=4 504 B19R2.11857 O=C(Cc1ccc(cc1)Br)NCc2ccccc2 Amb1798183 [0,1,0,0,1,0|1,0,1]=4 505 B19R2.11857 O=C(Cc1ccc(cc1)C)CCc2ccccc2 Amb10564303 [0,1,0,0,1,0|0,0,2]=4 506 B19R2.11857 O=C(Cc1ccc(cc1)F)NCc2ccccc2 Amb1216124 [0,1,0,0,1,0|1,0,1]=4 507 B19R2.11857 O=C(Nc1ccc(F)c[n]1)OCc2ccccc2 Amb25267658 [0,1,0,0,1,0|2,0,0]=4 508 B19R2.11857 O=C(Nc1ccc(I)c[n]1)OCc2ccccc2 Amb25747375 [0,1,0,0,1,0|2,0,0]=4 509 B19R2.11857 O=C(Nc1ccc(cc1)Br)NCc2ccccc2 Amb11249492 [0,1,0,0,1,0|2,0,0]=4 510 B19R2.11857 O=C(Nc1ccc(cc1)Br)\C=C\c2ccccc2 Amb2550183 [0,1,0,0,1,0|1,0,0]=3 511 B19R2.11857 O=C(Nc1ccc(cc1)C)\C=C\c2cccnc2 Amb10706177 [0,1,0,0,1,0|2,0,0]=4 512 B19R2.11857 O=C(Nc1ccc(cc1)Cl)OCc2ccncc2 Amb10573713 [0,1,0,0,1,0|2,0,0]=4 513 B19R2.11857 O=C(Nc1ccc(cc1)Cl)\C=C\c2cccnc2 Amb11284361 [0,1,0,0,1,0|2,0,0]=4 514 B19R2.11857 O=C(Nc1ccc(cc1)F)OCc2ccccc2 Amb2236975 [0,1,0,0,1,0|1,0,0]=3 515 B19R2.11857 O=C(Nc1ccc(cc1)F)\C=C\c2cccnc2 Amb11284421 [0,1,0,0,1,0|2,0,0]=4 516 B19R2.11857 O=C(Nc1ccc(cc1)F)\C=C\c2ccncc2 Amb10723984 [0,1,0,0,1,0|2,0,0]=4 517 B19R2.11857 O=C(Nc1ccc(cc1)I)CCc2ccccc2 Amb1005639 [0,1,0,0,1,0|2,0,0]=4 518 B19R2.11857 O=C(Nc1ccc(cc1)I)NCc2ccccc2 Amb11249620 [0,1,0,0,1,0|2,0,0]=4 519 B19R2.11857 O=C(Nc1ccc(cc1)I)OCc2ccccc2 Amb1010303 [0,1,0,0,1,0|1,0,0]=3 520 B19R2.11857 O=C(Nc1ccc(cc1)N)CCc2ccccc2 Amb1131684 [0,1,0,0,1,0|2,0,0]=4 521 B19R2.11857 O=C(Nc1ccc(cc1)N)\C=C\c2ccccc2 Amb17068388 [0,1,0,0,1,0|1,0,0]=3 522 B19R2.11857 O=C(Nc1ccc(cc1)O)\C=C\c2ccccc2 Amb1202464 [0,1,0,0,1,0|1,0,0]=3 523 B19R2.11857 O=C(Nc1ccc(cn1)Br)OCc2ccccc2 Amb10608808 [0,1,0,0,1,0|2,0,0]=4 524 B19R2.11857 O=C(Nc1ccc(cn1)C)C=Cc2ccccc2 Amb11278072 [0,1,0,0,1,0|2,0,0]=4 525 B19R2.11857 O=C(Nc1ccc(nc1)Br)OCc2ccccc2 Amb10608796 [0,1,0,0,1,0|2,0,0]=4 526 B19R2.11857 O=C(Oc1ccc(cc1)Br)CCc2ccccc2 Amb2563148 [0,1,0,0,1,0|0,0,2]=4 527 B19R2.11857 O=C(Oc1ccc(cc1)Cl)\C=C\c2ccccc2 Amb2551369 [0,1,0,0,1,0|0,0,0]=2 528 B19R2.11857 O=C(Oc1ccc(cc1)F)CCc2ccccc2 Amb2563151 [0,1,0,0,1,0|0,0,2]=4 529 B19R2.11857 O=C(Oc1ccc(cc1)I)\C=C/c2ccccc2 Amb10593479 [0,1,0,0,1,0|0,0,0]=2 530 B19R2.11857 O=C(\C=C\c1c[n]ccc1)Nc2ccc(Br)cc2 Amb20902164 [0,1,0,0,1,0|2,0,0]=4 531 B19R2.11857 O=C(\C=C\c1c[n]ccc1)Nc2ccc(I)cc2 Amb20911461 [0,1,0,0,1,0|2,0,0]=4 532 B19R2.11857 O=C(\C=C\c1cc[n]cc1)Nc2ccc(Br)cc2 Amb20923316 [0,1,0,0,1,0|2,0,0]=4 533 B19R2.11857 O=C(\C=C\c1cc[n]cc1)Nc2ccc(Cl)cc2 Amb20923364 [0,1,0,0,1,0|2,0,0]=4 534 B19R2.11857 O=C(\C=C\c1cc[n]cc1)Nc2ccc(I)cc2 Amb20923382 [0,1,0,0,1,0|2,0,0]=4 535 B19R2.11857 Oc1ccc(CC(=O)NCc2ccccc2)cc1 Amb18664014 [0,1,0,0,1,0|1,0,1]=4 536 B19R2.11857 Oc1ccc(cc1)NC(=O)OCc2ccccc2 Amb22442573 [0,1,0,0,1,0|1,0,0]=3 537 B19R2.16158 CC(C(=O)NCc1ccccc1)c2ccccc2 Amb22523679 [0,1,0,0,1,0|1,0,1]=4 538 B19R2.16158 CN(C(=O)C=Cc1c[n]ccc1)c2ccccc2 Amb20911369 [0,1,0,0,1,0|2,0,0]=4 539 B19R2.16158 CN(C(=O)OCc1ccccc1)c2cc[n]cc2 Amb24619379 [0,1,0,0,1,0|2,0,0]=4 540 B19R2.16158 CN(C(=O)OCc1ccccc1)c2ccc[n]c2 Amb25663151 [0,1,0,0,1,0|2,0,0]=4 541 B19R2.16158 CN(C(=O)OCc1ccccc1)c2ccccc2 Amb25166661 [0,1,0,0,1,0|1,0,0]=3 542 B19R2.16158 CN(C(=O)\C=C\c1cc[n]cc1)c2ccccc2 Amb20923311 [0,1,0,0,1,0|2,0,0]=4 543 B19R2.16158 ClC(c1ccccc1)C(=O)NCc2ccccc2 Amb1106148 [0,1,0,0,1,0|1,0,1]=4 544 B19R2.16158 N[C@@H](C(=O)NCc1ccccc1)c2ccccc2 Amb18015030 [0,1,0,0,1,0|1,0,1]=4 545 B19R2.16158 N[C@@H](C(=O)OCc1ccccc1)c2ccccc2 Amb22748905 [0,1,0,0,1,0|0,0,1]=3 546 B19R2.16158 O=C(C(=O)c1ccccc1)NCc2ccccn2 Amb17348417 [0,1,0,0,1,0|2,0,0]=4 547 B19R2.16158 O=C(OCc1ccccc1)C(Cl)c2ccccc2 Amb22346869 [0,1,0,0,1,0|0,0,1]=3 548 B19R2.16158 O=C(c1ccccc1)C(=O)NCc2ccccc2 Amb17348041 [0,1,0,0,1,0|1,0,0]=3 549 B19R2.16158 O=C(c1ccccc1)C(=O)NCc2cccnc2 Amb17348418 [0,1,0,0,1,0|2,0,0]=4 550 B19R2.16158 O=C(c1ccccc1)C(=O)NCc2ccncc2 Amb17348419 [0,1,0,0,1,0|2,0,0]=4 551 B19R2.16158 OC(c1ccccc1)C(=O)\C=C\c2ccccc2 Amb10565529 [0,1,0,0,1,0|0,0,0]=2 552 B19R2.49528 O=S(=O)(Nc1ccccc1)\C=C\c2ccccc2 Amb1031943 [0,1,0,0,1,0|2,0,0]=4 553 B19R2.49528 OP(=O)(OCc1ccccc1)Oc2ccccc2 Amb22753903 [0,1,0,0,1,0|2,0,0]=4 554 B19R2.4141 Cc1[n]c(C=CC(=O)OCc2ccccc2)c[s]1 Amb20841380 [0,1,0,0,1,0|2,0,0]=4 555 B19R2.4141 Cc1ccc(C=CC(=O)OCc2cccc[n]2)o1 Amb21130575 [0,1,0,0,1,0|2,0,0]=4 556 B19R2.4141 O=C(C=Cc1ccc(I)o1)NCc2ccccc2 Amb21683362 [0,1,0,0,1,0|2,0,0]=4 557 B19R2.4141 O=C(C=Cc1ccccc1)NCc2ccc(Br)[s]2 Amb23914789 [0,1,0,0,1,0|2,0,0]=4 558 B19R2.4141 O=C(\C=C\c1ccc(o1)Br)NCc2ccccc2 Amb2334973 [0,1,0,0,1,0|2,0,0]=4 559 B19R2.4141 O=C(\C=C\c1ccc(o1)Br)OCc2ccccc2 Amb1637633 [0,1,0,0,1,0|1,0,0]=3 560 B19R2.4141 O=C(\C=C\c1ccc(s1)C)NCc2ccccc2 Amb11232833 [0,1,0,0,1,0|2,0,0]=4 561 B19R2.4141 O=C(\C=C\c1ccc(s1)Cl)NCc2ccccc2 Amb209540 [0,1,0,0,1,0|2,0,0]=4 562 B19R2.4141 O=C(\C=C\c1ccccc1)OCc2cnc(s2)Cl Amb2429526 [0,1,0,0,1,0|2,0,0]=4 563 B19R2.4488 Cc1ccccc1CNC(=O)\C=C\c2ccc[s]2 Amb20703554 [0,1,0,0,1,0|2,0,0]=4 564 B19R2.4488 O=C(NCc1ccccc1Cl)\C=C\c2ccco2 Amb1544520 [0,1,0,0,1,0|2,0,0]=4 565 B19R2.4488 O=C(NCc1ccccc1Cl)\C=C\c2ccsc2 Amb1229701 [0,1,0,0,1,0|2,0,0]=4 566 B19R2.4488 O=C(NCc1ccccc1F)\C=C\c2ccco2 Amb2020154 [0,1,0,0,1,0|2,0,0]=4 567 B19R2.4488 O=C(\C=C\c1ccccc1Cl)NCc2ccco2 Amb2550888 [0,1,0,0,1,0|2,0,0]=4 568 B19R2.4488 O=C(\C=C\c1ccccc1Cl)NCc2ccsc2 Amb13877210 [0,1,0,0,1,0|2,0,0]=4 569 B19R2.5578 Cc1cc[s]c1CNC(=O)C=Cc2ccccc2 Amb20962162 [0,1,0,0,1,0|2,0,0]=4 570 B19R2.5578 Cc1cc[s]c1\C=C\C(=O)NCc2ccccc2 Amb24755708 [0,1,0,0,1,0|2,0,0]=4 571 B19R2.11862 O=C(C=Cc1ccc[s]1)OCc2c[n]c(Cl)cc2 Amb21241598 [0,1,0,0,1,0|2,0,0]=4 572 B19R2.11862 O=C(NCc1ccc[nH]1)\C=C\c2ccc(cc2)Cl Amb16897148 [0,1,0,0,1,0|2,0,0]=4 573 B19R2.11862 O=C(NCc1ccco1)\C=C\c2ccc(cc2)Cl Amb2456886 [0,1,0,0,1,0|2,0,0]=4 574 B19R2.11862 O=C(\C=C\c1ccco1)NCc2ccc(cc2)C Amb15795221 [0,1,0,0,1,0|2,0,0]=4 575 B19R2.16160 C\C(=C/c1cccs1)\C(=O)NCc2ccccc2 Amb16798995 [0,1,0,0,1,0|2,0,0]=4 576 B19R2.16172 O=C(NC(c1ccccc1)C)\C=C\c2cscc2 Amb132527 [0,1,0,0,1,0|2,0,0]=4 577 B19R2.16172 O=C(\C=C(\c1ccccc1)/C)NCc2ccco2 Amb16797072 [0,1,0,0,1,0|2,0,0]=4 578 B19R2.101114 O=C(C=Cc1ccco1)NCc2cc(Br)ccc2 Amb21458513 [0,1,0,0,1,0|2,0,0]=4 579 B19R2.101114 O=C(NCc1ccco1)\C=C\c2cccc(c2)N Amb17159259 [0,1,0,0,1,0|2,0,0]=4 580 B19R2.101114 O=C(\C=C\c1ccc[s]1)NCc2cc(F)ccc2 Amb21458101 [0,1,0,0,1,0|2,0,0]=4 581 B21R2.4733 O=C(NCCc1cc(Br)ccc1)OCc2ccccc2 Amb24647087 [0,1,0,0,0,1|0,0,2]=4 582 B21R2.4733 O=C(NCCc1cc(F)ccc1)OCc2ccccc2 Amb25205425 [0,1,0,0,0,1|0,0,2]=4 583 B21R2.4733 O=C(\C=C\c1c[n]ccc1)NCCc2cccc(F)c2 Amb20902748 [0,1,0,0,0,1|2,0,0]=4 584 B21R2.4733 O=C(\C=C\c1cc[n]cc1)NCCc2cccc(F)c2 Amb20923911 [0,1,0,0,0,1|2,0,0]=4 585 B21R2.4733 O=C(\C=C\c1cccnc1)NCCc2cccc(c2)Cl Amb11284465 [0,1,0,0,0,1|2,0,0]=4 586 B21R2.4848 O=C(CCc1ccccc1Cl)NOCc2ccccc2 Amb13970085 [0,1,0,0,0,1|0,0,2]=4 587 B21R2.4848 O=C(CCc1ccccc1F)NOCc2ccccc2 Amb21388047 [0,1,0,0,0,1|0,0,2]=4 588 B21R2.4848 O=C(CCc1ccccc1O)NOCc2ccccc2 Amb16136280 [0,1,0,0,0,1|0,0,2]=4 589 B21R2.4848 O=C(CNc1ccccc1Cl)NOCc2ccccc2 Amb11252699 [0,1,0,0,0,1|1,0,1]=4 590 B21R2.4848 O=C(COCc1ccccc1)NCc2ccccc2F Amb21376045 [0,1,0,0,0,1|1,0,1]=4 591 B21R2.4848 O=C(COc1ccccc1C)NOCc2ccccc2 Amb15929935 [0,1,0,0,0,1|1,0,1]=4 592 B21R2.4848 O=C(COc1ccccc1Cl)NOCc2ccccc2 Amb15852879 [0,1,0,0,0,1|1,0,1]=4 593 B21R2.4848 O=C(CSc1ccccc1C)NOCc2ccccc2 Amb15957251 [0,1,0,0,0,1|1,0,1]=4 594 B21R2.4848 O=C(NCc1ccccc1C)NOCc2ccccc2 Amb11274005 [0,1,0,0,0,1|1,0,1]=4 595 B21R2.4848 O=C(NCc1ccccc1F)NOCc2ccccc2 Amb11273882 [0,1,0,0,0,1|1,0,1]=4 596 B21R2.4848 O=C(NOCc1ccccc1)NCc2ccccc2Cl Amb20861630 [0,1,0,0,0,1|1,0,1]=4 597 B21R2.4848 O=C(OCc1ccccc1Cl)N\C=C\c2ccccc2 Amb2425142 [0,1,0,0,0,1|0,0,0]=2 598 B21R2.4848 O=C(\C=C\c1ccccc1Cl)NCCc2ccccc2 Amb2552708 [0,1,0,0,0,1|1,0,0]=3 599 B21R2.4852 O=C(CCc1ccccc1)N\N=C\c2ccccc2F Amb2226041 [0,1,0,0,0,1|2,0,0]=4 600 B21R2.4852 O=C(CCc1ccccc1)N\N=C\c2ccccc2O Amb1006217 [0,1,0,0,0,1|2,0,0]=4 601 B21R2.4852 O=C(NCCc1ccccc1F)OCc2ccccc2 Amb25166235 [0,1,0,0,0,1|0,0,2]=4 602 B21R2.4852 O=C(\C=C\c1ccccc1)N\N=C\c2ccccc2Cl Amb22346768 [0,1,0,0,0,1|1,0,1]=4 603 B21R2.4852 O=C(\C=C\c1cccnc1)NCCc2ccccc2F Amb11287351 [0,1,0,0,0,1|2,0,0]=4 604 B21R2.18995 O=C(C=Cc1ccc(F)cc1)OCCc2ccccc2 Amb20803658 [0,1,0,0,0,1|0,0,0]=2 605 B21R2.18995 O=C(C=Cc1ccc(cc1)C)NOCc2ccccc2 Amb11244079 [0,1,0,0,0,1|0,0,0]=2 606 B21R2.18995 O=C(CCc1ccc(F)cc1)NOCc2ccccc2 Amb21388037 [0,1,0,0,0,1|0,0,2]=4 607 B21R2.18995 O=C(COCc1ccccc1)NCc2ccc(Cl)cc2 Amb21374348 [0,1,0,0,0,1|1,0,1]=4 608 B21R2.18995 O=C(COc1ccc(Br)cc1)OCCc2ccccc2 Amb20685492 [0,1,0,0,0,1|1,0,1]=4 609 B21R2.18995 O=C(COc1ccc(cc1)C)NOCc2ccccc2 Amb11244078 [0,1,0,0,0,1|1,0,1]=4 610 B21R2.18995 O=C(COc1ccc(cc1)F)NOCc2ccccc2 Amb15929937 [0,1,0,0,0,1|1,0,1]=4 611 B21R2.18995 O=C(NCc1ccc(cc1)C)NOCc2ccccc2 Amb11273884 [0,1,0,0,0,1|1,0,1]=4 612 B21R2.18995 O=C(NCc1ccc(cc1)Cl)NOCc2ccccc2 Amb11273806 [0,1,0,0,0,1|1,0,1]=4 613 B21R2.18995 O=C(NCc1ccc(cc1)Cl)N\C=C/c2ccccc2 Amb2425146 [0,1,0,0,0,1|1,0,0]=3 614 B21R2.18995 O=C(OCc1ccc(cc1)Cl)N\C=C\c2ccccc2 Amb2421773 [0,1,0,0,0,1|0,0,0]=2 615 B21R2.18995 O=C(\C=C\c1ccc(F)cc1)NOCc2ccccc2 Amb21387979 [0,1,0,0,0,1|0,0,0]=2 616 B21R2.18995 O=C(\C=C\c1ccc(cc1)Br)NCCc2ccncc2 Amb16207644 [0,1,0,0,0,1|2,0,0]=4 617 B21R2.18995 O=C(\C=C\c1ccc(cc1)C)N\N=C\c2ccccc2 Amb1919411 [0,1,0,0,0,1|1,0,1]=4 618 B21R2.18995 O=C(\C=C\c1ccc(cc1)Cl)NCCc2ccccc2 Amb2550857 [0,1,0,0,0,1|1,0,0]=3 619 B21R2.18995 O=C(\C=C\c1ccc(cc1)F)NCCc2ccccn2 Amb160033 [0,1,0,0,0,1|2,0,0]=4 620 B21R2.18995 O=C(\C=C\c1ccc(cc1)F)NCCc2ccncc2 Amb16207620 [0,1,0,0,0,1|2,0,0]=4 621 B21R2.19000 Nc1ccc(CCNC(=O)OCc2ccccc2)cc1 Amb25316096 [0,1,0,0,0,1|0,0,2]=4 622 B21R2.19000 O=C(CCc1ccccc1)N\N=C\c2ccc(cc2)C Amb1675293 [0,1,0,0,0,1|2,0,0]=4 623 B21R2.19000 O=C(CCc1ccccc1)O\N=C\c2ccc(cc2)Cl Amb2224745 [0,1,0,0,0,1|2,0,0]=4 624 B21R2.19000 O=C(N\C=C\c1ccc(Br)cc1)OCc2ccccc2 Amb19959062 [0,1,0,0,0,1|0,0,0]=2 625 B21R2.19000 O=C(OCc1ccccc1)N\C=C\c2ccc(cc2)Cl Amb2421789 [0,1,0,0,0,1|0,0,0]=2 626 B21R2.19000 O=C(\C=C/c1ccccc1)O\N=C\c2ccc(cc2)Cl Amb2442494 [0,1,0,0,0,1|0,0,1]=3 627 B21R2.19000 O=C(\C=C\c1cccnc1)NCCc2ccc(cc2)F Amb10706198 [0,1,0,0,0,1|2,0,0]=4 628 B21R2.19000 O=C(\C=C\c1ccncc1)NCCc2ccc(cc2)F Amb10639588 [0,1,0,0,0,1|2,0,0]=4 629 B21R2.19000 Oc1ccc(CCNC(=O)OCc2ccccc2)cc1 Amb22410844 [0,1,0,0,0,1|0,0,2]=4 630 B21R2.27922 CN(CCc1cccc[n]1)C(=O)C=Cc2ccccc2 Amb20720856 [0,1,0,0,0,1|2,0,0]=4 631 B21R2.27922 CN(CCc1ccccc1)C(=O)OCc2ccccc2 Amb25730534 [0,1,0,0,0,1|0,0,2]=4 632 B21R2.27922 O=C(C(=O)NCc1ccccc1)NCc2ccccc2 Amb1789522 [0,1,0,0,0,1|1,0,1]=4 633 B21R2.27922 O=C(C(=O)NNc1ccccc1)NCc2ccccc2 Amb10555082 [0,1,0,0,0,1|2,0,0]=4 634 B21R2.27922 O=C(C(=O)OCc1ccccc1)CCc2ccccc2 Amb17609191 [0,1,0,0,0,1|0,0,1]=3 635 B21R2.27922 O=C(C(CCc1ccccc1)N)OCc2ccccc2 Amb17607881 [0,1,0,0,0,1|0,0,2]=4 636 B21R2.27922 O=C(C(CCc1ccccc1)O)OCc2ccccc2 Amb17609078 [0,1,0,0,0,1|0,0,2]=4 637 B21R2.27923 NC(CNC(=O)OCc1ccccc1)c2ccccc2 Amb22388922 [0,1,0,0,0,1|0,0,2]=4 638 B21R2.27923 N[C@@H](CNC(=O)OCc1ccccc1)c2ccccc2 Amb22747212 [0,1,0,0,0,1|0,0,2]=4 639 B21R2.27923 O=C(C=Cc1ccccc1)NCC(=O)c2ccccc2 Amb22449898 [0,1,0,0,0,1|1,0,0]=3 640 B21R2.27923 O=C(CCC(=O)c1ccccc1)NCc2ccccc2 Amb203265 [0,1,0,0,0,1|1,0,1]=4 641 B21R2.27923 O=C(COC(=O)c1ccccc1)NCc2ccccc2 Amb1225500 [0,1,0,0,0,1|1,0,1]=4 642 B21R2.27923 O=C(COC(=O)c1ccccc1)OCc2ccccc2 Amb22233309 [0,1,0,0,0,1|0,0,1]=3 643 B21R2.27923 O=C(NCC(c1ccccc1)C)\C=C\c2ccccc2 Amb1010960 [0,1,0,0,0,1|1,0,0]=3 644 B21R2.27923 O=C(NCC(c1ccccc1)C)\C=C\c2cccnc2 Amb10630581 [0,1,0,0,0,1|2,0,0]=4 645 B21R2.27923 O=C(NCC(c1ccccc1)C)\C=C\c2ccncc2 Amb10708914 [0,1,0,0,0,1|2,0,0]=4 646 B21R2.27923 O=C(NC[C@H](c1ccccc1)N)OCc2ccccc2 Amb16233362 [0,1,0,0,0,1|0,0,2]=4 647 B21R2.27923 O=C(NNC(=O)c1ccccc1)\C=C\c2ccccc2 Amb1548774 [0,1,0,0,0,1|1,0,1]=4 648 B21R2.27923 O=C(NOC(=O)c1ccccc1)OCc2ccccc2 Amb22057374 [0,1,0,0,0,1|1,0,0]=3 649 B21R2.27923 O=C(OCC(=O)C=Cc1ccccc1)c2ccccc2 Amb24080008 [0,1,0,0,0,1|0,0,1]=3 650 B21R2.27923 O=C(OCC(=O)c1ccccc1)CCc2ccccc2 Amb1636213 [0,1,0,0,0,1|0,0,2]=4 651 B21R2.27923 O=C(O\N=C(\c1ccncc1)/N)\C=C\c2ccccc2 Amb1804241 [0,1,0,0,0,1|1,0,1]=4 652 B21R2.27926 C\C(=C/C(=S)Nc1ccccc1)\NCc2ccccc2 Amb25744995 [0,1,0,0,0,1|2,0,0]=4 653 B21R2.27926 C\C(=C\C(=O)Oc1ccccc1)\NCc2ccccc2 Amb2386742 [0,1,0,0,0,1|2,0,0]=4 654 B21R2.27926 C\C(=C\C(=S)Nc1ccccc1)\NCc2ccccc2 Amb25142567 [0,1,0,0,0,1|2,0,0]=4 655 B21R2.221980 Cc1cc(CCC(=O)NOCc2ccccc2)ccc1 Amb20816096 [0,1,0,0,0,1|0,0,2]=4 656 B21R2.221980 Cc1cc(CNC(=O)COCc2ccccc2)ccc1 Amb21807889 [0,1,0,0,0,1|1,0,1]=4 657 B21R2.221980 Cc1cc(\C=C\C(=O)NOCc2ccccc2)ccc1 Amb21388030 [0,1,0,0,0,1|0,0,0]=2 658 B21R2.221980 O=C(COCc1ccccc1)NCc2cc(Br)ccc2 Amb21263727 [0,1,0,0,0,1|1,0,1]=4 659 B21R2.221980 O=C(COCc1ccccc1)NCc2cc(F)ccc2 Amb21262708 [0,1,0,0,0,1|1,0,1]=4 660 B21R2.221980 O=C(COc1cccc(c1)C)NOCc2ccccc2 Amb15957219 [0,1,0,0,0,1|1,0,1]=4 661 B21R2.221980 O=C(NCc1cccc(c1)C)NOCc2ccccc2 Amb10714726 [0,1,0,0,0,1|1,0,1]=4 662 B21R2.221980 O=C(\C=C\c1cccc(Br)c1)NOCc2ccccc2 Amb19179201 [0,1,0,0,0,1|0,0,0]=2 663 B21R2.221980 O=C(\C=C\c1cccc(F)c1)NOCc2ccccc2 Amb21387973 [0,1,0,0,0,1|0,0,0]=2 664 B21R2.221980 O=C(\C=C\c1cccc(c1)F)NCCc2ccncc2 Amb16207789 [0,1,0,0,0,1|2,0,0]=4 665 B21R2.257667 CN(Cc1ccccc1)C(=O)NOCc2ccccc2 Amb20861587 [0,1,0,0,0,1|1,0,1]=4 666 B21R2.257667 C\C(=C/c1ccccc1)\C(=O)\C=C\Nc2ccccc2 Amb22015222 [0,1,0,0,0,1|1,0,1]=4 667 B21R2.257667 O=C(\C(=C\c1ccccc1)\Br)NCCc2ccccc2 Amb2573603 [0,1,0,0,0,1|1,0,0]=3 668 B21R2.257667 O=C(\C(=C\c1ccccc1)\C)NCCc2ccccc2 Amb1794884 [0,1,0,0,0,1|1,0,0]=3 669 B21R2.257673 CC(CC(=O)NOCc1ccccc1)c2ccccc2 Amb21387998 [0,1,0,0,0,1|0,0,2]=4 670 B21R2.257673 CC(NC(=O)COCc1ccccc1)c2ccccc2 Amb21374340 [0,1,0,0,0,1|1,0,1]=4 671 B21R2.257673 O=C(CN(c1ccccc1)C)NOCc2ccccc2 Amb11252822 [0,1,0,0,0,1|1,0,1]=4 672 B21R2.257673 O=C(NC(c1ccccc1)C)NOCc2ccccc2 Amb11273879 [0,1,0,0,0,1|1,0,1]=4 673 B21R2.257673 O=C(\C=C(\c1ccccc1)/C)NCCc2ccccc2 Amb16797082 [0,1,0,0,0,1|1,0,0]=3 674 B21R2.3257524 O=S(=O)(\C=C\c1ccccc1)NCCc2ccccc2 Amb15838682 [0,1,0,0,0,1|2,0,0]=4 675 B21R2.85 COc1ccc(CNC(=O)OCc2ccccc2)cc1 Amb25141447 [0,2,0,0,0,0|1,0,1]=4 676 B21R2.85 COc1ccc(COC(=O)C=Cc2ccccc2)cc1 Amb20706589 [0,2,0,0,0,0|0,0,0]=2 677 B21R2.85 COc1ccc(COC(=O)CCc2ccccc2)cc1 Amb20823268 [0,2,0,0,0,0|0,0,2]=4 678 B21R2.85 COc1ccc(cc1)CNC(=O)\C=C\c2cccnc2 Amb11284431 [0,2,0,0,0,0|2,0,0]=4 679 B21R2.85 COc1ccc(cc1)CNC(=O)\C=C\c2ccncc2 Amb10631474 [0,2,0,0,0,0|2,0,0]=4 680 B21R2.85 COc1ccc(cc1)\C=C\C(=O)C#Cc2ccccc2 Amb16762737 [0,2,0,0,0,0|1,0,1]=4 681 B21R2.85 COc1ccc(cn1)CNC(=O)\C=C\c2ccccc2 Amb11269621 [0,2,0,0,0,0|2,0,0]=4 682 B21R2.85 CSc1ccc(cc1)\C=C\C(=O)NCc2ccccn2 Amb2336942 [0,2,0,0,0,0|2,0,0]=4 683 B21R2.85 CSc1ccc(cc1)\C=C\C(=O)NCc2cccnc2 Amb1553170 [0,2,0,0,0,0|2,0,0]=4 684 B21R2.85 CSc1ccc(cc1)\C=C\C(=O)NCc2ccncc2 Amb2346361 [0,2,0,0,0,0|2,0,0]=4 685 B21R2.85 N#Cc1ccc(cc1)CNC(=O)\C=C\c2ccccc2 Amb11302218 [0,2,0,0,0,0|1,0,0]=3 686 B21R2.85 N#Cc1ccc(cc1)CNC(=O)\C=C\c2cccnc2 Amb11302275 [0,2,0,0,0,0|2,0,0]=4 687 B21R2.85 N#Cc1ccc(cc1)CNC(=O)\C=C\c2ccncc2 Amb10724595 [0,2,0,0,0,0|2,0,0]=4 688 B21R2.85 N#Cc1ccc(cc1)\C=C\C(=O)NCc2ccccc2 Amb2442427 [0,2,0,0,0,0|1,0,0]=3 689 B21R2.85 NCc1ccc(CNC(=O)OCc2ccccc2)cc1 Amb23401812 [0,2,0,0,0,0|1,0,1]=4 690 B21R2.4531 Brc1ccc(cc1)CN(C(=O)\C=C\c2cccnc2)C Amb11287270 [0,2,0,0,0,0|2,0,0]=4 691 B21R2.4531 Brc1ccc(cc1)NC(=O)C(=O)NCc2ccccc2 Amb1856334 [0,2,0,0,0,0|2,0,0]=4 692 B21R2.4531 CN(Cc1ccc(Br)cc1)C(=O)OCc2ccccc2 Amb25204010 [0,2,0,0,0,0|1,0,1]=4 693 B21R2.4531 CN(Cc1ccc(Cl)cc1)C(=O)C=Cc2ccc[n]c2 Amb20913715 [0,2,0,0,0,0|2,0,0]=4 694 B21R2.4531 CN(Cc1ccc(Cl)cc1)C(=O)OCc2ccccc2 Amb25833735 [0,2,0,0,0,0|1,0,1]=4 695 B21R2.4531 CN(Cc1ccc(F)cc1)C(=O)C=Cc2ccc[n]c2 Amb20913930 [0,2,0,0,0,0|2,0,0]=4 696 B21R2.4531 CN(Cc1ccc(F)cc1)C(=O)C=Cc2ccccc2 Amb21124194 [0,2,0,0,0,0|1,0,0]=3 697 B21R2.4531 CN(Cc1ccc(O)cc1)C(=O)OCc2ccccc2 Amb25717847 [0,2,0,0,0,0|1,0,1]=4 698 B21R2.4531 Cc1ccc(CN(C)C(=O)OCc2ccccc2)cc1 Amb25167106 [0,2,0,0,0,0|1,0,1]=4 699 B21R2.4531 Cc1ccc(cc1)NC(=O)C(=O)NCc2ccccc2 Amb1859820 [0,2,0,0,0,0|2,0,0]=4 700 B21R2.4531 Clc1ccc(cc1)NC(=O)C(=O)NCc2ccccc2 Amb1859871 [0,2,0,0,0,0|2,0,0]=4 701 B21R2.4531 Clc1ccc(cc1)\C=C(\C(=O)NCc2ccccn2)/C Amb16799182 [0,2,0,0,0,0|2,0,0]=4 702 B21R2.4531 Clc1ccc(cc1)\C=C(\C(=O)NCc2cccnc2)/C Amb16799183 [0,2,0,0,0,0|2,0,0]=4 703 B21R2.4531 Clc1ccc(cc1)\C=C(\C(=O)NCc2ccncc2)/C Amb16799184 [0,2,0,0,0,0|2,0,0]=4 704 B21R2.4531 N[C@@H](Cc1ccc(F)cc1)C(=O)OCc2ccccc2 Amb24181819 [0,2,0,0,0,0|0,0,2]=4 705 B21R2.4531 N[C@@H](Cc1ccc(O)cc1)C(=O)OCc2ccccc2 Amb19930748 [0,2,0,0,0,0|0,0,2]=4 706 B21R2.4531 O=C(C(Cc1ccc(cc1)O)N)OCc2ccccc2 Amb2228432 [0,2,0,0,0,0|0,0,2]=4 707 B21R2.4531 O=C(C(Oc1ccc(cc1)N)C)OCc2ccccc2 Amb17110028 [0,2,0,0,0,0|1,0,1]=4 708 B21R2.4531 O=C([C@H](Cc1ccc(cc1)O)N)OCc2ccccc2 Amb16183985 [0,2,0,0,0,0|0,0,2]=4 709 B21R2.4531 Oc1ccc(C[C@@H](O)C(=O)OCc2ccccc2)cc1 Amb22823223 [0,2,0,0,0,0|0,0,2]=4 710 B21R2.4534 O=C(C=Cc1ccc(Cl)cc1)C=Cc2ccc(Cl)cc2 Amb24060724 [0,2,0,0,0,0|1,0,1]=4 711 B21R2.4534 O=C(C=Cc1ccc(cc1)C)NNc2ccc(cc2)F Amb11218691 [0,2,0,0,0,0|2,0,0]=4 712 B21R2.4534 O=C(COc1ccc(cc1)Cl)OCc2ccc(cc2)Br Amb1635457 [0,2,0,0,0,0|1,0,1]=4 713 B21R2.4534 O=C(COc1ccc(cc1)Cl)OCc2ccc(cc2)F Amb1637448 [0,2,0,0,0,0|1,0,1]=4 714 B21R2.4534 O=C(OCc1ccc(cc1)Cl)COc2ccc(cc2)Cl Amb1203201 [0,2,0,0,0,0|1,0,1]=4 715 B21R2.4534 O=C(\C=C\c1ccc(F)cc1)C=Cc2ccc(F)cc2 Amb24242781 [0,2,0,0,0,0|1,0,1]=4 716 B21R2.4534 O=C(\C=C\c1ccc(F)cc1)OCc2c[n]c(Cl)cc2 Amb21734208 [0,2,0,0,0,0|1,0,0]=3 717 B21R2.4534 O=C(\C=C\c1ccc(cc1)Br)OCc2ccc(cc2)Cl Amb16207656 [0,2,0,0,0,0|0,0,0]=2 718 B21R2.4534 O=C(\C=C\c1ccc(cc1)C)OCc2ccc(cc2)Cl Amb2566557 [0,2,0,0,0,0|0,0,0]=2 719 B21R2.4534 O=C(\C=C\c1ccc(cc1)F)NCc2ccc(cc2)C Amb1215777 [0,2,0,0,0,0|1,0,0]=3 720 B21R2.4534 O=C(\C=C\c1ccc(cc1)F)\C=C\c2ccc(cc2)F Amb1583083 [0,2,0,0,0,0|1,0,1]=4 721 B21R2.18991 CC(NC(=O)C=Cc1ccc(Cl)cc1)c2c[n]ccc2 Amb21142111 [0,2,0,0,0,0|2,0,0]=4 722 B21R2.18991 CC(NC(=O)\C=C\c1ccc(F)cc1)c2c[n]ccc2 Amb21142132 [0,2,0,0,0,0|2,0,0]=4 723 B21R2.18991 C\C(=C/C(=O)c1ccccc1)\NCc2ccc(cc2)C Amb1780986 [0,2,0,0,0,0|2,0,0]=4 724 B21R2.18991 C\C(=C/C(=O)c1ccccc1)\NCc2ccc(cc2)F Amb1818393 [0,2,0,0,0,0|2,0,0]=4 725 B21R2.18991 Cc1ccc(\C=C\C(=O)N[C@@H](C)c2ccccc2)cc1 Amb23031972 [0,2,0,0,0,0|1,0,0]=3 726 B21R2.18991 O=C(NC(c1ccccc1)C)\C=C\c2ccc(cc2)Cl Amb2550858 [0,2,0,0,0,0|1,0,0]=3 727 B21R2.18991 O=C(\C=C(\c1ccccc1)/C)NCc2ccc(cc2)F Amb16797075 [0,2,0,0,0,0|1,0,0]=3 728 B21R2.18994 Cc1ccc(C=CC(=O)NCc2cc(Br)ccc2)cc1 Amb21458426 [0,2,0,0,0,0|1,0,0]=3 729 B21R2.18994 O=C(C=Cc1ccc(F)cc1)NCc2cccc(F)c2 Amb21458103 [0,2,0,0,0,0|1,0,0]=3 730 B21R2.18994 O=C(C=Cc1cccc(Cl)c1)OCc2c[n]c(Cl)cc2 Amb21241895 [0,2,0,0,0,0|1,0,0]=3 731 B21R2.18994 O=C(C=Cc1cccc(F)c1)OCc2c[n]c(Cl)cc2 Amb21241596 [0,2,0,0,0,0|1,0,0]=3 732 B21R2.18994 O=C(NCc1cccc(c1)Cl)\C=C\c2ccc(cc2)F Amb2023665 [0,2,0,0,0,0|1,0,0]=3 733 B21R2.18994 O=C(\C=C\c1cccc(c1)Br)NCc2ccc(cc2)Cl Amb2443283 [0,2,0,0,0,0|1,0,0]=3 734 B21R2.18994 O=C(\C=C\c1cccc(c1)Br)NCc2ccc(cc2)F Amb2443281 [0,2,0,0,0,0|1,0,0]=3 735 B21R2.18994 O=C(\C=C\c1cccc(c1)C)NCc2ccc(cc2)F Amb2443268 [0,2,0,0,0,0|1,0,0]=3 736 B21R2.18994 O=C(\C=C\c1cccc(c1)Cl)NCc2ccc(cc2)C Amb15582 [0,2,0,0,0,0|1,0,0]=3 737 B21R2.18994 O=C(\C=C\c1cccc(c1)N)NCc2ccc(cc2)C Amb17165458 [0,2,0,0,0,0|1,0,0]=3 738 B21R2.19004 CN(Cc1cc[n]cc1)C(=O)C=Cc2ccc(F)cc2 Amb19341740 [0,2,0,0,0,0|2,0,0]=4 739 B21R2.19004 Cc1ccc(cc1)CNC(=O)C(=O)Nc2ccccc2 Amb1815672 [0,2,0,0,0,0|2,0,0]=4 740 B21R2.19004 Fc1ccc(cc1)CNC(=O)\C(=C\c2ccccc2)\C Amb16799071 [0,2,0,0,0,0|1,0,0]=3 741 B21R2.19177 CC(CC(=O)C=Cc1ccccc1)c2ccc(C)cc2 Amb17843540 [0,2,0,0,0,0|1,0,0]=3 742 B21R2.19177 CC(NC(=O)OCc1ccccc1)c2ccc(O)cc2 Amb24513338 [0,2,0,0,0,0|1,0,1]=4 743 B21R2.19177 CC(NC(=O)\C=C\c1c[n]ccc1)c2ccc(Cl)cc2 Amb20914071 [0,2,0,0,0,0|2,0,0]=4 744 B21R2.19177 C[C@@H](NC(=O)OCc1ccccc1)c2ccc(Br)cc2 Amb24332936 [0,2,0,0,0,0|1,0,1]=4 745 B21R2.19177 C[C@@H](NC(=O)OCc1ccccc1)c2ccc(F)cc2 Amb25166819 [0,2,0,0,0,0|1,0,1]=4 746 B21R2.19177 C[C@H](NC(=O)OCc1ccccc1)c2ccc(Br)cc2 Amb25166824 [0,2,0,0,0,0|1,0,1]=4 747 B21R2.19177 C[C@H](NC(=O)OCc1ccccc1)c2ccc(F)cc2 Amb25128404 [0,2,0,0,0,0|1,0,1]=4 748 B21R2.19177 C[C@H](NC(=O)OCc1ccccc1)c2ccc(O)cc2 Amb24531175 [0,2,0,0,0,0|1,0,1]=4 749 B21R2.19177 C\C(=C/C(=O)c1ccc(Cl)cc1)\NCc2ccccc2 Amb20231764 [0,2,0,0,0,0|2,0,0]=4 750 B21R2.19177 Cc1ccc(cc1)C(C)NC(=O)\C=C\c2c[n]ccc2 Amb21458608 [0,2,0,0,0,0|2,0,0]=4 751 B21R2.19177 Cc1ccc(cc1)C(C)NC(=O)\C=C\c2ccccc2 Amb23028442 [0,2,0,0,0,0|1,0,0]=3 752 B21R2.19177 Cc1ccc(cc1)[C@@H](C)NC(=O)OCc2ccccc2 Amb25141443 [0,2,0,0,0,0|1,0,1]=4 753 B21R2.19177 Cc1ccc(cc1)[C@H](C)NC(=O)OCc2ccccc2 Amb25297566 [0,2,0,0,0,0|1,0,1]=4 754 B21R2.19177 Nc1ccc(cc1)C(=N)NC(=O)OCc2ccccc2 Amb25676682 [0,2,0,0,0,0|1,0,0]=3 755 B21R2.19177 O=C(NC(=O)c1ccc(Cl)[n]c1)OCc2ccccc2 Amb22478268 [0,2,0,0,0,0|2,0,0]=4 756 B21R2.19177 O=C(NC(c1ccc(cc1)Br)C)C=Cc2cccnc2 Amb11284443 [0,2,0,0,0,0|2,0,0]=4 757 B21R2.19177 O=C(NC(c1ccc(cc1)Br)C)C=Cc2ccncc2 Amb11290789 [0,2,0,0,0,0|2,0,0]=4 758 B21R2.19177 O=C(NC(c1ccc(cc1)F)C)\C=C\c2cccnc2 Amb10706213 [0,2,0,0,0,0|2,0,0]=4 759 B21R2.19177 O=C(NC(c1ccc(cc1)F)C)\C=C\c2ccncc2 Amb10708903 [0,2,0,0,0,0|2,0,0]=4 760 B21R2.19177 O=C(OC(c1ccc(cc1)Br)Cl)\C=C\c2ccccc2 Amb2233131 [0,2,0,0,0,0|0,0,0]=2 761 B21R2.19361 Cc1ccc(CNC(=O)\C=C\c2cc[n]cc2)cc1F Amb21703796 [0,2,0,0,0,0|2,0,0]=4 762 B21R2.19361 Cc1ccc(CNC(=O)\C=C\c2ccc[n]c2)cc1F Amb20902781 [0,2,0,0,0,0|2,0,0]=4 763 B21R2.19361 O=C(NCc1cc(F)c(F)cc1)OCc2ccccc2 Amb25728575 [0,2,0,0,0,0|1,0,1]=4 764 B21R2.19361 O=C(NCc1ccccc1)\C=C\c2ccc(c(c2)N)C Amb17165471 [0,2,0,0,0,0|1,0,0]=3 765 B21R2.19361 O=C(NCc1ccccc1)\C=C\c2ccc(c(c2)N)F Amb17166675 [0,2,0,0,0,0|1,0,0]=3 766 B21R2.19361 O=C(NCc1ccccn1)\C=C\c2ccc(c(c2)N)C Amb17165680 [0,2,0,0,0,0|2,0,0]=4 767 B21R2.19361 O=C(NCc1ccccn1)\C=C\c2ccc(c(c2)N)F Amb17166991 [0,2,0,0,0,0|2,0,0]=4 768 B21R2.19361 O=C(NCc1cccnc1)\C=C\c2ccc(c(c2)N)C Amb17165681 [0,2,0,0,0,0|2,0,0]=4 769 B21R2.19361 O=C(NCc1cccnc1)\C=C\c2ccc(c(c2)N)F Amb17166992 [0,2,0,0,0,0|2,0,0]=4 770 B21R2.19361 O=C(NCc1ccncc1)\C=C\c2ccc(c(c2)N)C Amb17165682 [0,2,0,0,0,0|2,0,0]=4 771 B21R2.19361 O=C(NCc1ccncc1)\C=C\c2ccc(c(c2)N)F Amb17166993 [0,2,0,0,0,0|2,0,0]=4 772 B21R2.19361 O=C(\C=C\c1ccccc1)O\N=C/2\C=CC(=O)C(=C2)C Amb2542259 [0,2,0,0,0,0|1,0,0]=3 773 B21R2.19361 O=C(\C=C\c1cccnc1)NCc2ccc(c(c2)C)F Amb10707324 [0,2,0,0,0,0|2,0,0]=4 774 B21R2.19361 O=C(\C=C\c1ccncc1)NCc2ccc(c(c2)C)F Amb10708939 [0,2,0,0,0,0|2,0,0]=4 775 B21R2.225945 Cc1cc(C)ccc1\C=C\C(=O)NCc2cccc[n]2 Amb20839299 [0,2,0,0,0,0|2,0,0]=4 776 B21R2.225945 O=C(C=Cc1c[n]cc[n]1)OCc2ccc(F)cc2Br Amb19512174 [0,2,0,0,0,0|2,0,0]=4 777 B21R2.225945 O=C(C=Cc1ccccn1)NCc2ccc(cc2Cl)Br Amb11594177 [0,2,0,0,0,0|2,0,0]=4 778 B21R2.225945 O=C(NCc1ccc(F)cc1F)OCc2ccccc2 Amb24476241 [0,2,0,0,0,0|1,0,1]=4 779 B21R2.225945 O=C(NCc1ccccc1)\C=C\c2ccc(cc2C)C Amb2442479 [0,2,0,0,0,0|1,0,0]=3 780 B21R2.225945 O=C(NCc1ccccc1)\C=C\c2ccc(cc2Cl)Cl Amb2459073 [0,2,0,0,0,0|1,0,0]=3 781 B21R2.225945 O=C(OCc1ccccc1)NCc2ccc(cc2O)Br Amb10808641 [0,2,0,0,0,0|1,0,1]=4 782 B21R2.225945 O=C(\C=C\c1ccccc1)\C=C\c2ccc(Cl)cc2Cl Amb22359980 [0,2,0,0,0,0|1,0,1]=4 783 B21R2.225945 O=C(\C=C\c1cccnc1)NCc2ccc(cc2C)C Amb11302171 [0,2,0,0,0,0|2,0,0]=4 784 B21R2.358963 Cc1ccc[n]c1CNC(=O)C=Cc2ccc(F)cc2 Amb19360605 [0,2,0,0,0,0|2,0,0]=4 785 B21R2.358963 Cc1ccccc1CNC(=O)\C=C\c2ccc(F)cc2 Amb21621613 [0,2,0,0,0,0|1,0,0]=3 786 B21R2.358963 O=C(COc1ccccc1Cl)OCc2ccc(cc2)Cl Amb1639135 [0,2,0,0,0,0|1,0,1]=4 787 B21R2.358963 O=C(NCc1ccccc1Cl)\C=C\c2ccc(cc2)Br Amb1217468 [0,2,0,0,0,0|1,0,0]=3 788 B21R2.358963 O=C(NCc1ccccc1Cl)\C=C\c2ccc(cc2)F Amb1553134 [0,2,0,0,0,0|1,0,0]=3 789 B21R2.358963 O=C(OCc1ccccc1Cl)COc2ccc(cc2)Cl Amb2563750 [0,2,0,0,0,0|1,0,1]=4 790 B21R2.358963 O=C(\C=C\c1ccccc1Cl)NCc2ccc(cc2)F Amb1582066 [0,2,0,0,0,0|1,0,0]=3 791 B21R2.366834 Clc1ccc(cc1)\C=C\S(=O)(=O)NCc2ccccc2 Amb2435191 [0,2,0,0,0,0|2,0,0]=4 792 B21R2.3551 COc1cc(CNC(=O)OCc2ccccc2)ccc1 Amb24332937 [0,2,0,0,0,0|1,0,1]=4 793 B21R2.3551 COc1cc(COC(=O)CCc2ccccc2)ccc1 Amb20698485 [0,2,0,0,0,0|0,0,2]=4 794 B21R2.3551 COc1cccc(c1)CNC(=O)\C=C\c2cccnc2 Amb10707222 [0,2,0,0,0,0|2,0,0]=4 795 B21R2.3551 COc1cccc(c1)CNC(=O)\C=C\c2ccncc2 Amb10708899 [0,2,0,0,0,0|2,0,0]=4 796 B21R2.3551 COc1cccc(c1)\C=C\C(=O)NCc2ccccc2 Amb1224551 [0,2,0,0,0,0|1,0,0]=3 797 B21R2.3551 COc1cccc(c1)\C=C\C(=O)NCc2cccnc2 Amb10526336 [0,2,0,0,0,0|2,0,0]=4 798 B21R2.3551 N#Cc1cccc(c1)CNC(=O)\C=C\c2ccccc2 Amb11302201 [0,2,0,0,0,0|1,0,0]=3 799 B21R2.3551 N#Cc1cccc(c1)\C=C\C(=O)NCc2ccccc2 Amb10732112 [0,2,0,0,0,0|1,0,0]=3 800 B21R2.3551 N#Cc1cccc(c1)\C=C\C(=O)NCc2ccccn2 Amb10732210 [0,2,0,0,0,0|2,0,0]=4 801 B21R2.3551 NCc1cc(CNC(=O)OCc2ccccc2)ccc1 Amb22504480 [0,2,0,0,0,0|1,0,1]=4 802 B21R2.3551 NCc1cc(CNC(=O)OCc2ccccc2)ccc1 Amb24117192 [0,2,0,0,0,0|1,0,1]=4 803 B21R2.3551 OCc1cc(CNC(=O)OCc2ccccc2)ccc1 Amb24681943 [0,2,0,0,0,0|1,0,1]=4 804 B21R2.4725 CN(Cc1cc(Cl)ccc1)C(=O)C=Cc2ccc[n]c2 Amb20913924 [0,2,0,0,0,0|2,0,0]=4 805 B21R2.4725 CN(Cc1cc(Cl)ccc1)C(=O)OCc2ccccc2 Amb25128411 [0,2,0,0,0,0|1,0,1]=4 806 B21R2.4725 CN(Cc1cc(Cl)ccc1)C(=O)\C=C\c2cc[n]cc2 Amb20923519 [0,2,0,0,0,0|2,0,0]=4 807 B21R2.4725 Cc1cc(CN(C)C(=O)OCc2ccccc2)ccc1 Amb25142810 [0,2,0,0,0,0|1,0,1]=4 808 B21R2.4725 Clc1cccc(c1)NC(=O)C(=O)NCc2ccccc2 Amb1932522 [0,2,0,0,0,0|2,0,0]=4 809 B21R2.4725 Nc1cccc(c1)OC(C(=O)OCc2ccccc2)C Amb17110029 [0,2,0,0,0,0|1,0,1]=4 810 B21R2.95163 O=C(\C=C\c1cccnc1)NCc2cc(F)cc(c2)F Amb10637617 [0,2,0,0,0,0|2,0,0]=4 811 B21R2.95163 O=C(\C=C\c1ccncc1)NCc2cc(F)cc(c2)F Amb10724610 [0,2,0,0,0,0|2,0,0]=4 812 B21R2.103648 Cc1ccccc1CNC(=O)\C=C\c2cccc(C)c2 Amb21621609 [0,2,0,0,0,0|1,0,0]=3 813 B21R2.103648 Cc1ccccc1CNC(=O)\C=C\c2cccc(F)c2 Amb20703552 [0,2,0,0,0,0|1,0,0]=3 814 B21R2.103648 O=C(C=Cc1cccc(Cl)c1)OCc2ccc[n]c2Cl Amb21111790 [0,2,0,0,0,0|1,0,0]=3 815 B21R2.103648 O=C(CCc1cc(Cl)ccc1)OCc2ccccc2F Amb20811556 [0,2,0,0,0,0|0,0,2]=4 816 B21R2.103648 O=C(NCc1ccccc1Cl)\C=C\c2cccc(c2)F Amb197381 [0,2,0,0,0,0|1,0,0]=3 817 B21R2.103648 O=C(NCc1ccccc1F)\C=C\c2cccc(c2)F Amb2337038 [0,2,0,0,0,0|1,0,0]=3 818 B21R2.221977 CC(NC(=O)C=Cc1cc(Cl)ccc1)c2c[n]ccc2 Amb21142126 [0,2,0,0,0,0|2,0,0]=4 819 B21R2.221977 Cc1cc(\C=C\C(=O)NC(C)c2c[n]ccc2)ccc1 Amb21142268 [0,2,0,0,0,0|2,0,0]=4 820 B21R2.221977 O=C(NC(c1ccccc1)C)\C=C\c2cccc(c2)N Amb17165459 [0,2,0,0,0,0|1,0,0]=3 821 B21R2.221977 O=C(NC(c1ccccn1)C)\C=C\c2cccc(c2)Br Amb162140 [0,2,0,0,0,0|2,0,0]=4 822 B21R2.221977 O=C(NC(c1ccccn1)C)\C=C\c2cccc(c2)C Amb10183340 [0,2,0,0,0,0|2,0,0]=4 823 B21R2.221979 O=C(C=Cc1cc(Cl)ccc1)C=Cc2cc(Cl)ccc2 Amb24060339 [0,2,0,0,0,0|1,0,1]=4 824 B21R2.221979 O=C(\C=C\c1cccc(c1)C)\C=C\c2cccc(c2)C Amb16210570 [0,2,0,0,0,0|1,0,1]=4 825 B21R2.221979 O=C(\C=C\c1cccc(c1)C)\C=C\c2cccc(c2)C Amb16210574 [0,2,0,0,0,0|1,0,1]=4 826 B21R2.221979 O=C(\C=C\c1cccc(c1)F)NCc2cccc(c2)F Amb11301931 [0,2,0,0,0,0|1,0,0]=3 827 B21R2.221983 CN(Cc1ccccc1)C(=O)C=Cc2cccc(F)c2 Amb21683263 [0,2,0,0,0,0|1,0,0]=3 828 B21R2.221983 Cc1cc(C=CC(=O)N(C)Cc2ccccc2)ccc1 Amb21620341 [0,2,0,0,0,0|1,0,0]=3 829 B21R2.221983 Nc1cccc(c1)\C=C\C(=O)N(Cc2ccccc2)C Amb17165460 [0,2,0,0,0,0|1,0,0]=3 830 B21R2.221983 O=C(\C=C\c1cc(Cl)ccc1)C(=O)Oc2ccccc2 Amb22461043 [0,2,0,0,0,0|2,0,0]=4 831 B21R2.222199 CC(NC(=O)OCc1ccccc1)c2cccc(Br)c2 Amb24449147 [0,2,0,0,0,0|1,0,1]=4 832 B21R2.222199 CC(NC(=O)OCc1ccccc1)c2cccc(Cl)c2 Amb25747426 [0,2,0,0,0,0|1,0,1]=4 833 B21R2.222199 CC(NC(=O)OCc1ccccc1)c2cccc(O)c2 Amb25349005 [0,2,0,0,0,0|1,0,1]=4 834 B21R2.222199 C[C@@H](NC(=O)OCc1ccccc1)c2cccc(Cl)c2 Amb25767260 [0,2,0,0,0,0|1,0,1]=4 835 B21R2.222199 C[C@H](NC(=O)OCc1ccccc1)c2cccc(Br)c2 Amb24388151 [0,2,0,0,0,0|1,0,1]=4 836 B21R2.222199 C[C@H](NC(=O)OCc1ccccc1)c2cccc(F)c2 Amb25830244 [0,2,0,0,0,0|1,0,1]=4 837 B21R2.222199 Cc1cc(ccc1)C(=O)NC(=O)NCc2ccccc2 Amb22387434 [0,2,0,0,0,0|2,0,0]=4 838 B21R2.222199 Cc1cc(ccc1)[C@@H](C)NC(=O)OCc2ccccc2 Amb25838197 [0,2,0,0,0,0|1,0,1]=4 839 B21R2.222199 O=C(NC(c1cccc(c1)Br)C)\C=C\c2cccnc2 Amb10719041 [0,2,0,0,0,0|2,0,0]=4 840 B21R2.222199 O=C(NC(c1cccc(c1)Cl)C)\C=C\c2cccnc2 Amb11287273 [0,2,0,0,0,0|2,0,0]=4 841 B21R2.225847 O=C(C=Cc1ccccc1)OCc2[n]c(Cl)ccc2Cl Amb21610994 [0,2,0,0,0,0|1,0,0]=3 842 B21R2.225847 O=C(NCc1cc(F)ccc1Br)OCc2ccccc2 Amb24504150 [0,2,0,0,0,0|1,0,1]=4 843 B21R2.225847 O=C(\C=C\c1cc(Br)ccc1F)NCc2cccnc2 Amb10526209 [0,2,0,0,0,0|2,0,0]=4 844 B21R2.225847 O=C(\C=C\c1cc(Cl)ccc1Cl)NCc2ccccn2 Amb16075885 [0,2,0,0,0,0|2,0,0]=4 845 B21R2.225847 O=C(\C=C\c1cc(Cl)ccc1Cl)NCc2cccnc2 Amb16075896 [0,2,0,0,0,0|2,0,0]=4 846 B21R2.225847 O=C(\C=C\c1cccnc1)NCc2cc(Br)ccc2F Amb11302737 [0,2,0,0,0,0|2,0,0]=4 847 B21R2.4592439 Cc1cccc(c1)CNS(=O)(=O)\C=C\c2ccccc2 Amb11293022 [0,2,0,0,0,0|2,0,0]=4 848 B21R2.4847 O=C(NC(c1ccccc1)C)\C=C\c2ccccc2Cl Amb2550889 [0,2,0,0,0,0|1,0,0]=3 849 B21R2.4847 O=C(NC(c1ccccn1)C)\C=C\c2ccccc2F Amb10183338 [0,2,0,0,0,0|2,0,0]=4 850 B21R2.4847 O=C(\C=C(\c1ccccc1)/C)NCc2ccccc2F Amb16797074 [0,2,0,0,0,0|1,0,0]=3 851 B21R2.4854 C\C(=C/c1ccccc1)\C(=O)NCc2ccccc2F Amb16799070 [0,2,0,0,0,0|1,0,0]=3 852 B21R2.4854 O=C(C(=O)NCc1ccccc1Cl)Nc2ccccc2 Amb1856412 [0,2,0,0,0,0|2,0,0]=4 853 B21R2.4854 O=C(N(Cc1ccccc1)C)\C=C\c2ccccc2Cl Amb2456812 [0,2,0,0,0,0|1,0,0]=3 854 B21R2.7844 CN(C(=O)\C=C\c1cccnc1)Cc2ccccc2Br Amb11287268 [0,2,0,0,0,0|2,0,0]=4 855 B21R2.7844 CN(Cc1ccccc1Br)C(=O)C=Cc2ccccc2 Amb20689941 [0,2,0,0,0,0|1,0,0]=3 856 B21R2.7844 CN(Cc1ccccc1Br)C(=O)OCc2ccccc2 Amb24476226 [0,2,0,0,0,0|1,0,1]=4 857 B21R2.7844 CN(Cc1ccccc1Cl)C(=O)C=Cc2ccc[n]c2 Amb20913722 [0,2,0,0,0,0|2,0,0]=4 858 B21R2.7844 CN(Cc1ccccc1Cl)C(=O)C=Cc2ccccc2 Amb21521187 [0,2,0,0,0,0|1,0,0]=3 859 B21R2.7844 CN(Cc1ccccc1F)C(=O)C=Cc2ccc[n]c2 Amb20902544 [0,2,0,0,0,0|2,0,0]=4 860 B21R2.7844 C\C(=C/c1ccccc1F)\C(=O)NCc2ccccc2 Amb16799117 [0,2,0,0,0,0|1,0,0]=3 861 B21R2.7844 C\C(=C/c1ccccc1F)\C(=O)NCc2ccccn2 Amb16799124 [0,2,0,0,0,0|2,0,0]=4 862 B21R2.7844 Cc1ccccc1CN(C)C(=O)C=Cc2ccc[n]c2 Amb20913459 [0,2,0,0,0,0|2,0,0]=4 863 B21R2.7844 Cc1ccccc1CN(C)C(=O)\C=C\c2cc[n]cc2 Amb20923511 [0,2,0,0,0,0|2,0,0]=4 864 B21R2.7844 O=C(C(=O)NCc1ccccc1)Nc2ccccc2Br Amb10776190 [0,2,0,0,0,0|2,0,0]=4 865 B21R2.7844 O=C(C(=O)NCc1ccccc1)Nc2ccccc2C Amb1859832 [0,2,0,0,0,0|2,0,0]=4 866 B21R2.7844 O=C(C(=O)NCc1ccccc1)Nc2ccccc2Cl Amb1859853 [0,2,0,0,0,0|2,0,0]=4 867 B21R2.7844 O=C(C(=O)NCc1ccccc1)Nc2ccccc2F Amb1931367 [0,2,0,0,0,0|2,0,0]=4 868 B21R2.7844 O=C(C(Oc1ccccc1N)C)OCc2ccccc2 Amb17110030 [0,2,0,0,0,0|1,0,1]=4 869 B21R2.7844 O=C(\C(=C\c1ccccc1F)\C)NCc2cccnc2 Amb16799125 [0,2,0,0,0,0|2,0,0]=4 870 B21R2.7844 O=C(\C(=C\c1ccccc1F)\C)NCc2ccncc2 Amb16799126 [0,2,0,0,0,0|2,0,0]=4 871 B21R2.10009 O=C(NCc1ccccc1)OCc2c(F)cccc2F Amb22454934 [0,2,0,0,0,0|1,0,1]=4 872 B21R2.23823 COc1ccccc1CNC(=O)\C=C\c2cccnc2 Amb11284438 [0,2,0,0,0,0|2,0,0]=4 873 B21R2.23823 COc1ccccc1CNC(=O)\C=C\c2ccncc2 Amb10708887 [0,2,0,0,0,0|2,0,0]=4 874 B21R2.23823 COc1ccccc1COC(=O)C=Cc2ccccc2 Amb20676826 [0,2,0,0,0,0|0,0,0]=2 875 B21R2.23823 COc1ccccc1\C=C\C(=O)NCc2cccnc2 Amb1776382 [0,2,0,0,0,0|2,0,0]=4 876 B21R2.106909 Cc1ccccc1CNS(=O)(=O)\C=C\c2ccccc2 Amb20704306 [0,2,0,0,0,0|2,0,0]=4 877 B21R2.107355 Cc1ccccc1CNC(=O)\C=C\c2ccccc2F Amb20703442 [0,2,0,0,0,0|1,0,0]=3 878 B21R2.107355 O=C(C=Cc1ccccc1Cl)C=Cc2ccccc2Cl Amb24060720 [0,2,0,0,0,0|1,0,1]=4 879 B21R2.107355 O=C(CCc1ccccc1F)OCc2ccccc2F Amb20705891 [0,2,0,0,0,0|0,0,2]=4 880 B21R2.107355 O=C(\C=C\c1ccccc1C)\C=C\c2ccccc2C Amb2229322 [0,2,0,0,0,0|1,0,1]=4 881 B21R2.107355 O=C(\C=C\c1ccccc1Cl)NCc2ccccc2F Amb1583518 [0,2,0,0,0,0|1,0,0]=3 882 B21R2.205889 CC(NC(=O)C=Cc1c[n]ccc1)c2ccccc2Br Amb20914125 [0,2,0,0,0,0|2,0,0]=4 883 B21R2.205889 C[C@@H](NC(=O)OCc1ccccc1)c2ccccc2Cl Amb25166829 [0,2,0,0,0,0|1,0,1]=4 884 B21R2.205889 C[C@H](NC(=O)OCc1ccccc1)c2ccccc2Br Amb24333673 [0,2,0,0,0,0|1,0,1]=4 885 B21R2.205889 C[C@H](NC(=O)OCc1ccccc1)c2ccccc2Cl Amb25166834 [0,2,0,0,0,0|1,0,1]=4 886 B21R2.205889 O=C(NC(=O)c1ccccc1O)\C=C\c2ccccc2 Amb1539601 [0,2,0,0,0,0|1,0,1]=4 887 B21R2.205889 O=C(NC(c1ccccc1C)C)\C=C\c2cccnc2 Amb11287344 [0,2,0,0,0,0|2,0,0]=4 888 B21R2.205889 O=C(NC(c1ccccc1C)C)\C=C\c2ccncc2 Amb11290800 [0,2,0,0,0,0|2,0,0]=4 889 B21R2.205889 O=C(NC(c1ccccc1Cl)C)\C=C\c2cccnc2 Amb11287196 [0,2,0,0,0,0|2,0,0]=4 890 B21R2.13129 CC(c1ccccc1)NC(=O)C(=O)Nc2ccccc2 Amb10782435 [0,2,0,0,0,0|2,0,0]=4 891 B21R2.13129 CC(c1ccccc1)NC(=O)\C(=C\c2ccccc2)\Br Amb1396122 [0,2,0,0,0,0|1,0,0]=3 892 B21R2.15276 CCN(Cc1ccccc1)C(=O)OCc2ccccc2 Amb24647947 [0,2,0,0,0,0|1,0,1]=4 893 B21R2.15276 CC\C(=C/c1ccccc1)\C(=O)NCc2ccccn2 Amb16799221 [0,2,0,0,0,0|2,0,0]=4 894 B21R2.15276 CC\C(=C/c1ccccc1)\C(=O)NCc2cccnc2 Amb16799222 [0,2,0,0,0,0|2,0,0]=4 895 B21R2.15276 CC\C(=C/c1ccccc1)\C(=O)NCc2ccncc2 Amb16799223 [0,2,0,0,0,0|2,0,0]=4 896 B21R2.15276 CN[C@@H](Cc1ccccc1)C(=O)OCc2ccccc2 Amb22745350 [0,2,0,0,0,0|0,0,2]=4 897 B21R2.15276 N#CC(=Cc1ccccc1)C(=O)C=Cc2ccccc2 Amb22448275 [0,2,0,0,0,0|1,0,1]=4 898 B21R2.15276 N#CC(=Cc1cccnc1)C(=O)NCc2ccccc2 Amb15739752 [0,2,0,0,0,0|2,0,0]=4 899 B21R2.15276 N#C\C(=C/c1ccccc1)\C(=O)NCc2cccnc2 Amb2457220 [0,2,0,0,0,0|2,0,0]=4 900 B21R2.15276 N#C\C(=C/c1ccncc1)\C(=O)NCc2ccccc2 Amb1208013 [0,2,0,0,0,0|2,0,0]=4 901 B21R2.27921 CN(C(C)c1ccccc1)C(=O)OCc2ccccc2 Amb25141030 [0,2,0,0,0,0|1,0,1]=4 902 B21R2.27921 O=C(N(C(c1ccccc1)C)C)\C=C\c2cccnc2 Amb10707278 [0,2,0,0,0,0|2,0,0]=4 903 B21R2.15366 CC[C@H](NC(=O)OCc1ccccc1)c2ccccc2 Amb25745004 [0,2,0,0,0,0|1,0,1]=4 904 B21R2.15366 CC\C(=C/C(=O)NCc1ccccn1)\c2ccccc2 Amb16797231 [0,2,0,0,0,0|2,0,0]=4 905 B21R2.15366 CC\C(=C/C(=O)NCc1cccnc1)\c2ccccc2 Amb16797232 [0,2,0,0,0,0|2,0,0]=4 906 B21R2.15366 CC\C(=C/C(=O)NCc1ccncc1)\c2ccccc2 Amb16797233 [0,2,0,0,0,0|2,0,0]=4 907 B21R2.15366 N#CC(c1ccccc1)NC(=O)OCc2ccccc2 Amb10558249 [0,2,0,0,0,0|1,0,1]=4 908 B21R2.15366 NCC(NC(=O)OCc1ccccc1)c2ccccc2 Amb22388923 [0,2,0,0,0,0|1,0,1]=4 909 B21R2.15366 NC[C@@H](NC(=O)OCc1ccccc1)c2ccccc2 Amb24107556 [0,2,0,0,0,0|1,0,1]=4 910 B21R2.15366 O=C(NC(C=O)c1ccccc1)OCc2ccccc2 Amb25260863 [0,2,0,0,0,0|1,0,1]=4 911 B21R2.15366 O=C(N[C@@H](C=O)c1ccccc1)OCc2ccccc2 Amb22748968 [0,2,0,0,0,0|1,0,1]=4 912 B21R2.27900 O=C(NS(=O)(=O)c1ccccc1)\C=C\c2ccccc2 Amb11231980 [0,2,0,0,0,0|2,0,0]=4 913 B21R2.258184 CC(c1ccccc1)NS(=O)(=O)\C=C\c2ccccc2 Amb19589 [0,2,0,0,0,0|2,0,0]=4 914 B19R2.3421 C=Cc1ccccc1C(=O)NCc2ccccc2 Amb22477770 [0,0,1,1,0,0|1,0,0]=3 915 B19R2.3421 O=C(OCc1ccccc1)c2ccccc2CBr Amb21962893 [0,0,1,1,0,0|1,0,1]=4 916 B19R2.113698 O=C(OCc1ccccc1)N\C=C\c2ccco2 Amb2418568 [0,0,1,1,0,0|2,0,0]=4 917 B19R2.4553 Brc1ccc(c(c1)C(=O)OCc2ccccc2)N Amb16232944 [0,0,1,1,0,0|2,0,0]=4 918 B19R2.4553 Brc1ccc(c(c1)C(=O)OCc2ccccc2)O Amb16232945 [0,0,1,1,0,0|2,0,0]=4 919 B19R2.4553 Cc1cc(C(=O)OCc2ccccc2)c(F)cc1 Amb24762930 [0,0,1,1,0,0|1,0,1]=4 920 B19R2.4553 Ic1ccc(c(c1)C(=O)OCc2ccccc2)N Amb15691997 [0,0,1,1,0,0|2,0,0]=4 921 B19R2.4553 Ic1ccc(c(c1)C(=O)OCc2ccccc2)O Amb15692519 [0,0,1,1,0,0|2,0,0]=4 922 B19R2.4553 Nc1cc(C(=O)OCc2ccccc2)c(Br)cc1 Amb25811800 [0,0,1,1,0,0|2,0,0]=4 923 B19R2.4553 Nc1ccc(F)cc1C(=O)OCc2ccccc2 Amb22269732 [0,0,1,1,0,0|2,0,0]=4 924 B19R2.4553 Nc1ccc(c(c1)C(=O)OCc2ccccc2)Cl Amb17307885 [0,0,1,1,0,0|2,0,0]=4 925 B19R2.4553 Nc1ccc(c(c1)C(=O)OCc2ccccc2)O Amb17307824 [0,0,1,1,0,0|2,0,0]=4 926 B19R2.4553 O=C(OCc1ccccc1)c2cc(Cl)ccc2F Amb24762996 [0,0,1,1,0,0|2,0,0]=4 927 B19R2.876 NCc1cc(ccc1)C(=O)OCc2ccccc2 Amb19349567 [0,0,1,1,0,0|1,0,1]=4 928 B19R2.876 NCc1cc(ccc1)C(=O)OCc2ccccc2 Amb22058908 [0,0,1,1,0,0|1,0,1]=4 929 B19R3.25 c1[n]c(c(o1)-c2ccccc2)-c3ccccc3 Amb22263715 [1,0,0,1,0,0|1,0,1]=4 930 B19R3.25 c1ccc(cc1)c2ocnc2c3ccccc3 Amb10563352 [1,0,0,1,0,0|1,0,1]=4 931 B19R3.25 c1ccc(cc1)n2cccc2c3ccccc3 Amb10563281 [1,0,0,1,0,0|2,0,0]=4 932 B19R3.25 c1ccc(cc1)n2nccc2c3ccccc3 Amb2191287 [1,0,0,1,0,0|2,0,0]=4 933 B19R3.28 C(c1ccccc1)[n+]2cccc3ccccc23 Amb21912644 [1,0,0,1,0,0|1,0,0]=3 934 B19R3.28 c1ccc(cc1)CC2=CCCc3c2cccc3 Amb10559872 [1,0,0,1,0,0|1,0,1]=4 935 B19R3.28 c1ccc(cc1)Cc2cncc3c2cccc3 Amb2233368 [1,0,0,1,0,0|2,0,0]=4 936 B19R3.28 c1ccc(cc1)Oc2cccc3c2cccc3 Amb10559827 [1,0,0,1,0,0|2,0,0]=4 937 B19R3.28 c1ccc(cc1)Sc2cccc3c2cccc3 Amb10555258 [1,0,0,1,0,0|2,0,0]=4 938 B19R3.2370 C(Oc1c[nH]c2ccccc21)c3ccccc3 Amb25064011 [1,0,0,1,0,0|1,0,0]=3 939 B19R3.2370 c1ccc(cc1)CCn2ccc3c2cccc3 Amb17244982 [1,0,0,1,0,0|2,0,0]=4 940 B19R3.288 CC1=[NH+]c2ccccc2C1=Cc3ccccc3 Amb22485626 [0,0,0,1,1,0|2,0,0]=4 941 B19R3.288 Ic1cc2ccccc2[n]1Cc3ccccc3 Amb24067538 [0,0,0,1,1,0|2,0,0]=4 942 B19R3.288 O=C/1Nc2c(\C1=C/c3ccncc3)cccc2 Amb151009 [0,0,0,1,1,0|2,0,0]=4 943 B19R3.288 O=C/1Nc2c(\C1=C\c3ccccc3)cccc2 Amb1817868 [0,0,0,1,1,0|1,0,0]=3 944 B19R3.288 O=C/1Nc2c(\C1=N\c3ccccc3)cccc2 Amb1774503 [0,0,0,1,1,0|2,0,0]=4 945 B19R3.288 O=C/1Nc2ccccc2\C1=N/c3ccccc3 Amb20527651 [0,0,0,1,1,0|2,0,0]=4 946 B19R3.288 O=C1N=C2C=CC=CN2/C1=C/c3ccccc3 Amb17768209 [0,0,0,1,1,0|2,0,0]=4 947 B19R3.288 O=C1Nc2ccccc2N1Cc3ccccc3 Amb18537191 [0,0,0,1,1,0|2,0,0]=4 948 B19R3.288 O=C1Oc2ccccc2N1Cc3ccccc3 Amb18538702 [0,0,0,1,1,0|1,0,1]=4 949 B19R3.288 O=C1Sc2ccccc2N1Cc3ccccc3 Amb18003967 [0,0,0,1,1,0|2,0,0]=4 950 B19R3.288 O=c1[nH]c2c(n1Cc3ccccc3)cccc2 Amb1061689 [0,0,0,1,1,0|2,0,0]=4 951 B19R3.288 O=c1sc2c(n1Cc3ccccc3)cccc2 Amb1219819 [0,0,0,1,1,0|2,0,0]=4 952 B19R3.294 Cc1cc(c2ccccc2[n]1)-c3ccccc3 Amb24097098 [0,0,0,1,1,0|2,0,0]=4 953 B19R3.294 Clc1nc2ccccc2c(c1)c3ccccc3 Amb1148743 [0,0,0,1,1,0|2,0,0]=4 954 B19R3.294 O=C1C=C(c2ccccc2)N3C=CC=CC3=N1 Amb19804009 [0,0,0,1,1,0|2,0,0]=4 955 B19R3.294 O=C1C=C(c2ccccc2N1)c3ccccc3 Amb19668882 [0,0,0,1,1,0|1,0,0]=3 956 B19R3.294 O=C1C=C(c2ccccc2O1)c3ccccc3 Amb24084291 [0,0,0,1,1,0|0,0,0]=2 957 B19R3.294 O=C1C=C2C=CC=CC2=C(O1)c3ccccc3 Amb24103802 [0,0,0,1,1,0|0,0,1]=3 958 B19R3.294 O=C1CC(c2ccccc2N1)c3ccccc3 Amb22464342 [0,0,0,1,1,0|2,0,0]=4 959 B19R3.294 O=C1CC(c2ccccc2O1)c3ccccc3 Amb24310865 [0,0,0,1,1,0|0,0,2]=4 960 B19R3.294 O=C1NC(=C2C=CC=CC2=N1)c3ccccc3 Amb19373710 [0,0,0,1,1,0|2,0,0]=4 961 B19R3.294 O=C1NC(c2ccccc2O1)c3ccccc3 Amb22263486 [0,0,0,1,1,0|1,0,1]=4 962 B19R3.294 O=C1Nc2ccccc2C(=N1)c3ccccc3 Amb19668883 [0,0,0,1,1,0|2,0,0]=4 963 B19R3.294 O=c1[nH]c2ccccc2c(c1)c3ccccc3 Amb1545165 [0,0,0,1,1,0|1,0,0]=3 964 B19R3.294 O=c1[nH]c2ccccc2c(n1)c3ccccc3 Amb1570747 [0,0,0,1,1,0|2,0,0]=4 965 B19R3.294 O=c1cc2ccccn2c(c1)c3ccccc3 Amb10573409 [0,0,0,1,1,0|1,0,1]=4 966 B19R3.294 Oc1nc2ccccc2c(c1)c3ccccc3 Amb1104953 [0,0,0,1,1,0|1,0,1]=4 967 B19R3.346 O=C1N=Cc2ccccc2N1c3ccccc3 Amb22752717 [0,0,0,1,1,0|2,0,0]=4 968 B19R3.346 O=C1NCc2ccccc2C1c3ccccc3 Amb24104680 [0,0,0,1,1,0|1,0,1]=4 969 B19R3.10796 O=C(Nc1ccccc1)C2Cc3ccccc23 Amb17844044 [0,0,0,1,1,0|2,0,0]=4 970 B19R3.19215 C(c1cc2ccc[n]c2cc1)c3ccccc3 Amb24081564 [0,0,0,1,1,0|2,0,0]=4 971 B19R3.19215 C(c1cc2ccccc2[n]c1)c3ccccc3 Amb24097497 [0,0,0,1,1,0|2,0,0]=4 972 B19R3.19215 C(c1ccccc1)c2cc3ccccc3cn2 Amb17778823 [0,0,0,1,1,0|2,0,0]=4 973 B19R3.19215 c1ccc(cc1)C[n+]2ccc3c(c2)cccc3 Amb10554997 [0,0,0,1,1,0|2,0,0]=4 974 B19R3.19215 c1ccc(cc1)Nc2ccc3c(c2)cccc3 Amb2540199 [0,0,0,1,1,0|2,0,0]=4 975 B19R3.19215 c1ccc(cc1)Oc2cnc3c(n2)cccc3 Amb2417257 [0,0,0,1,1,0|2,0,0]=4 976 B19R3.19255 c1ccc(cc1)\C=C\c2nc3c([nH]2)cccc3 Amb1268228 [0,0,0,1,1,0|2,0,0]=4 977 B19R3.19255 c1ccc(cc1)\C=C\c2nc3c(o2)cccc3 Amb1350475 [0,0,0,1,1,0|1,0,0]=3 978 B19R3.19255 c1ccc(cc1)\C=C\c2nc3c(s2)cccc3 Amb1154435 [0,0,0,1,1,0|1,1,0]=4 979 B19R3.19255 c1ccc(nc1)\C=C\c2nc3c(o2)cccc3 Amb2422309 [0,0,0,1,1,0|2,0,0]=4 980 B19R3.19255 c1ccc2[n]c(\C=C\c3ccccc3)oc2[n]1 Amb18621285 [0,0,0,1,1,0|2,0,0]=4 981 B19R3.19255 c1ccc2oc(\C=C\c3ccccc3)[n]c2[n]1 Amb18104274 [0,0,0,1,1,0|2,0,0]=4 982 B19R3.19268 C(Oc1cc2[s]ccc2cc1)c3ccccc3 Amb24091104 [0,0,0,1,1,0|2,0,0]=4 983 B19R3.19268 C(Oc1cc2cc[s]c2cc1)c3ccccc3 Amb25838015 [0,0,0,1,1,0|2,0,0]=4 984 B19R3.19268 C(Oc1ccc2occc2c1)c3ccccc3 Amb25708949 [0,0,0,1,1,0|2,0,0]=4 985 B19R3.19268 c1ccc(cc1)COc2ccc3c(c2)[nH]cc3 Amb2455793 [0,0,0,1,1,0|2,0,0]=4 986 B19R3.19268 c1ccc(cc1)COc2ccc3c(n2)[nH]cc3 Amb16233651 [0,0,0,1,1,0|2,0,0]=4 987 B19R3.19268 c1ccc(cc1)COc2ccc3c(n2)cc[nH]3 Amb16233674 [0,0,0,1,1,0|2,0,0]=4 988 B21R3.240 O=C1C=C(c2ccccc2)N(C=N1)c3ccccc3 Amb20664966 [0,0,0,1,0,1|1,0,1]=4 989 B21R3.240 O=C1C=NN(C(=C1)c2ccccc2)c3ccccc3 Amb19388295 [0,0,0,1,0,1|2,0,0]=4 990 B21R3.240 O=C1CCC(C(=C1)c2ccccc2)c3ccccc3 Amb22475527 [0,0,0,1,0,1|1,0,0]=3 991 B21R3.240 O=C1CNC(C(O1)c2ccccc2)c3ccccc3 Amb19957949 [0,0,0,1,0,1|0,0,2]=4 992 B21R3.240 O=C1CN[C@@H]([C@@H](O1)c2ccccc2)c3ccccc3 Amb10603183 [0,0,0,1,0,1|0,0,2]=4 993 B21R3.240 O=C1CN[C@@H]([C@H](O1)c2ccccc2)c3ccccc3 Amb22748916 [0,0,0,1,0,1|0,0,2]=4 994 B21R3.240 O=C1CN[C@H]([C@H](O1)c2ccccc2)c3ccccc3 Amb10603184 [0,0,0,1,0,1|0,0,2]=4 995 B21R3.240 O=C1NN=C(C(N1)c2ccccc2)c3ccccc3 Amb19987212 [0,0,0,1,0,1|2,0,0]=4 996 B21R3.240 O=C1NN=C(C(O1)c2ccccc2)c3ccccc3 Amb22481318 [0,0,0,1,0,1|1,0,0]=3 997 B21R3.2808 O=C(N1CCc2c1cccc2)\C=C\c3cccnc3 Amb10629869 [0,0,0,1,0,1|2,0,0]=4 998 B21R3.2808 O=C(NCc1ccccc1)[n]2[n]cc3ccccc23 Amb20516869 [0,0,0,1,0,1|2,0,0]=4 999 B21R3.2808 O=C(NCc1ccccc1)c2c[s]c3ccccc32 Amb25353266 [0,0,0,1,0,1|1,0,0]=3 1000 B21R3.2808 O=C(NCc1ccccc1)c2occ3ccccc32 Amb24448934 [0,0,0,1,0,1|1,0,0]=3 1001 B21R3.2808 O=C(OCc1ccccc1)N2CSc3ccccc23 Amb22481825 [0,0,0,1,0,1|1,0,1]=4 1002 B21R3.2808 O=C(OCc1ccccc1)n2ccc3ccccc23 Amb17939130 [0,0,0,1,0,1|0,0,0]=2 1003 B21R3.2808 O=C(\C=C\c1cc[n]cc1)N2CCc3ccccc23 Amb20923411 [0,0,0,1,0,1|2,0,0]=4 1004 B21R3.2808 O=C(c1c[nH]c2c1cccc2)NCc3ccccc3 Amb2432919 [0,0,0,1,0,1|1,0,0]=3 1005 B21R3.2808 O=C(c1c[nH]c2c1cccc2)NCc3ccccn3 Amb1095212 [0,0,0,1,0,1|2,0,0]=4 1006 B21R3.2808 O=C(c1n[nH]c2c1cccc2)NCc3ccccc3 Amb1384126 [0,0,0,1,0,1|2,0,0]=4 1007 B21R3.2808 O=C(c1n[nH]c2c1cccc2)OCc3ccccc3 Amb1516098 [0,0,0,1,0,1|1,0,0]=3 1008 B21R3.2808 O=C(c1n[nH]c2c1cccc2)OCc3ccccn3 Amb1568273 [0,0,0,1,0,1|2,0,0]=4 1009 B21R3.3123 C(Nc1[n]c(c[s]1)-c2ccccc2)c3ccccc3 Amb22584872 [0,0,0,1,0,1|2,0,0]=4 1010 B21R3.3123 C(Nc1[n]cc([s]1)-c2ccccc2)c3ccccc3 Amb22464500 [0,0,0,1,0,1|1,1,0]=4 1011 B21R3.3123 c1ccc(cc1)CSc2scc(n2)c3ccccc3 Amb2566757 [0,0,0,1,0,1|1,1,0]=4 1012 B21R3.8204 Clc1cnc(n1Cc2ccccc2)c3ccccc3 Amb16200642 [0,0,0,1,0,1|2,0,0]=4 1013 B21R3.8204 Nc1ncc(n1Cc2ccccc2)c3ccccc3 Amb1981380 [0,0,0,1,0,1|2,0,0]=4 1014 B21R3.8204 O=C/1ON=C(\C1=C\c2ccccc2)c3ccccc3 Amb1845773 [0,0,0,1,0,1|0,0,1]=3 1015 B21R3.8204 O=C1NC=C(c2ccccc2)N1Cc3ccccc3 Amb24332535 [0,0,0,1,0,1|1,0,0]=3 1016 B21R3.8204 O=C1NN=C(C1Cc2ccccc2)c3ccccc3 Amb22487763 [0,0,0,1,0,1|2,0,0]=4 1017 B21R3.8204 O=C1NNC(=C1Cc2ccccc2)c3ccccc3 Amb22443586 [0,0,0,1,0,1|2,0,0]=4 1018 B21R3.8204 O=C1ON=C(c2ccccc2)N1Cc3ccccc3 Amb19303624 [0,0,0,1,0,1|2,0,0]=4 1019 B21R3.8204 O=C1ONC(C1=Cc2ccccc2)c3ccccc3 Amb22489236 [0,0,0,1,0,1|0,0,0]=2 1020 B21R3.8204 S=C1NC=C(c2ccccc2)N1Cc3ccccc3 Amb21937141 [0,0,0,1,0,1|1,1,0]=4 1021 B21R3.22167 Brc1ccc2ccc[n]c2c1OCc3ccccc3 Amb23003275 [0,0,0,1,0,1|2,0,0]=4 1022 B21R3.22167 Clc1ccc2ccc[n]c2c1OCc3ccccc3 Amb23003253 [0,0,0,1,0,1|2,0,0]=4 1023 B21R3.22167 Ic1ccc2ccc[n]c2c1OCc3ccccc3 Amb23003302 [0,0,0,1,0,1|2,0,0]=4 1024 B21R3.22167 Nc1c[n]c2ccccc2c1OCc3ccccc3 Amb25721454 [0,0,0,1,0,1|2,0,0]=4 1025 B21R3.22167 O=C1C=Cc2ccccc2C1=CNc3ccccc3 Amb22462418 [0,0,0,1,0,1|1,0,1]=4 1026 B21R3.22167 O=C1C=Cc2ccccc2N1OCc3ccccc3 Amb25821319 [0,0,0,1,0,1|0,0,0]=2 1027 B21R3.22167 O=C1CCc2c(C1C=Nc3ccccc3)cccc2 Amb2386616 [0,0,0,1,0,1|1,0,1]=4 1028 B21R3.22167 Oc1ccc2c(c1CSc3ccccc3)cccc2 Amb10560249 [0,0,0,1,0,1|1,0,1]=4 1029 B21R3.47750 C(CCc1cc2ccccc2cc1)c3ccccc3 Amb24060843 [0,0,0,1,0,1|2,0,0]=4 1030 B21R3.47750 c1ccc(cc1)CCSc2ccc3c(n2)cccc3 Amb10577471 [0,0,0,1,0,1|1,1,0]=4 1031 B21R3.214 O=C1OC(C(=C1)c2ccccc2)c3ccc(cc3)C Amb10566534 [0,1,0,1,0,0|0,0,0]=2 1032 B21R3.30927 Clc1ccc(COc2cc3ccccc3cc2)cc1 Amb22457381 [0,1,0,1,0,0|1,0,0]=3 1033 B21R3.30927 Fc1ccc(cc1)CSc2ccc3c(n2)cccc3 Amb10241575 [0,1,0,1,0,0|1,1,0]=4 1034 B21R3.30927 Nc1ccc(CCc2ccc3ccccc3[n]2)cc1 Amb24090078 [0,1,0,1,0,0|2,0,0]=4 1035 B21R3.30927 Nc1ccc(cc1)COc2ccc3c(c2)cccc3 Amb1140337 [0,1,0,1,0,0|1,0,0]=3 1036 B21R3.144861 O=C1C=Cc2ccccc2N1Nc3ccc(Br)cc3 Amb19667430 [0,1,0,1,0,0|2,0,0]=4 1037 B21R3.153116 Brc1c[n]c2ccc(cc2c1)OCc3ccccc3 Amb22234707 [0,1,0,1,0,0|2,0,0]=4 1038 B21R3.153116 Brc1cc2cc([n]cc2cc1)OCc3ccccc3 Amb24721424 [0,1,0,1,0,0|2,0,0]=4 1039 B21R3.153116 Clc1ccc2ccc(cc2[n]1)OCc3ccccc3 Amb24332411 [0,1,0,1,0,0|2,0,0]=4 1040 B21R3.153116 Nc1cc2cc(ccc2c[n]1)OCc3ccccc3 Amb22499400 [0,1,0,1,0,0|2,0,0]=4 1041 B21R3.153116 O=C1C=Cc2ccc(cc2N1)OCc3ccccc3 Amb25746338 [0,1,0,1,0,0|2,0,0]=4 1042 B21R3.153116 O=C1C=Cc2ccc(cc2O1)OCc3ccccc3 Amb17975004 [0,1,0,1,0,0|2,0,0]=4 1043 B21R3.151115 O=C1C=Cc2ccccc2N1Cc3cc(F)ccc3 Amb21927607 [0,1,0,1,0,0|1,0,0]=3 1044 B21R3.151115 O=C1C=Nc2ccccc2N1Cc3cc(Cl)ccc3 Amb21998094 [0,1,0,1,0,0|2,0,0]=4 1045 B21R3.153330 Brc1cc2ccc(cc2cc1)NCc3ccccc3 Amb24333170 [0,1,0,1,0,0|2,0,0]=4 1046 B21R3.153330 Brc1cc2ccc(cc2cc1)OCc3cc[n]cc3 Amb23917021 [0,1,0,1,0,0|2,0,0]=4 1047 B21R3.153330 Brc1ccc2c(c1)ccc(c2)OCc3ccccc3 Amb2413127 [0,1,0,1,0,0|1,0,0]=3 1048 B21R3.153330 Cc1ccc2cc(ccc2[n]1)OCc3ccccc3 Amb19108144 [0,1,0,1,0,0|2,0,0]=4 1049 B21R3.153330 Clc1ccc2cc(ccc2[n]1)OCc3ccccc3 Amb22501101 [0,1,0,1,0,0|2,0,0]=4 1050 B21R3.153330 Nc1c[n]c2cc(ccc2c1)OCc3ccccc3 Amb24380707 [0,1,0,1,0,0|2,0,0]=4 1051 B21R3.153330 Nc1cc2ccc(cc2cc1)OCc3ccccc3 Amb24619258 [0,1,0,1,0,0|1,0,0]=3 1052 B21R3.153330 O=C1C=Cc2cc(ccc2N1)OCc3ccccc3 Amb25746484 [0,1,0,1,0,0|2,0,0]=4 1053 B21R3.153330 O=C1C=Cc2cc(ccc2O1)OCc3ccccc3 Amb24449046 [0,1,0,1,0,0|2,0,0]=4 1054 B21R3.153330 Oc1c[n]c2cc(ccc2c1)OCc3ccccc3 Amb25026326 [0,1,0,1,0,0|2,0,0]=4 1055 B21R3.469780 Brc1cc(CSc2cc3ccccc3cc2)ccc1 Amb22265910 [0,1,0,1,0,0|1,1,0]=4 1056 B21R3.469780 [NH3+]c1cc(COc2cc3ccccc3cc2)ccc1 Amb22483191 [0,1,0,1,0,0|1,0,0]=3 1057 B21R3.6681832 Brc1cc[n]c2ccc(cc21)OCc3ccccc3 Amb25130108 [0,1,0,1,0,0|2,0,0]=4 1058 B21R3.6681832 Cc1cc[n]c2ccc(cc21)OCc3ccccc3 Amb19108189 [0,1,0,1,0,0|2,0,0]=4 1059 B21R3.6681832 Nc1[n]ccc2ccc(cc21)OCc3ccccc3 Amb25746288 [0,1,0,1,0,0|2,0,0]=4 1060 B21R3.6681832 Nc1cccc2ccc(cc21)OCc3ccccc3 Amb24504100 [0,1,0,1,0,0|1,0,0]=3 1061 B21R3.6681832 O=C1C=COc2ccc(cc21)OCc3ccccc3 Amb25677328 [0,1,0,1,0,0|2,0,0]=4 1062 B21R3.6681832 O=C1NC=Cc2ccc(cc21)OCc3ccccc3 Amb24332563 [0,1,0,1,0,0|2,0,0]=4 1063 B21R3.6681832 Oc1cc[n]c2ccc(cc21)OCc3ccccc3 Amb22263814 [0,1,0,1,0,0|2,0,0]=4 1064 B21R3.217227 Oc1ccccc1Cc2c(O)ccc3c2cccc3 Amb10560033 [0,1,0,1,0,0|1,0,1]=4 1065 B21R3.218733 Fc1ccccc1CSc2ccc3ccccc3[n]2 Amb21121450 [0,1,0,1,0,0|1,1,0]=4 1066 B21R3.397713 Brc1[n]ccc2cc(ccc21)OCc3ccccc3 Amb25766988 [0,1,0,1,0,0|2,0,0]=4 1067 B21R3.397713 Brc1cc[n]c2cc(ccc21)OCc3ccccc3 Amb25214175 [0,1,0,1,0,0|2,0,0]=4 1068 B21R3.397713 Clc1ccnc2c1ccc(c2)OCc3ccccc3 Amb10603899 [0,1,0,1,0,0|2,0,0]=4 1069 B21R3.397713 Clc1nccc2c1ccc(c2)OCc3ccccc3 Amb17216949 [0,1,0,1,0,0|2,0,0]=4 1070 B21R3.397713 Nc1nccc2c1ccc(c2)OCc3ccccc3 Amb17216970 [0,1,0,1,0,0|2,0,0]=4 1071 B21R3.397713 O=C1NC=Cc2cc(ccc21)OCc3ccccc3 Amb18034945 [0,1,0,1,0,0|2,0,0]=4 1072 B21R3.397713 Oc1ccnc2c1ccc(c2)OCc3ccccc3 Amb10071922 [0,1,0,1,0,0|2,0,0]=4 1073 B21R3.2280253 O=C(OCc1cccc[n]1)c2cc3ccccc3[s]2 Amb21189598 [0,1,0,1,0,0|1,0,0]=3 1074 B21R3.2280253 O=C(OCc1ccccc1)N2Cc3ccccc3C2 Amb24577586 [0,1,0,1,0,0|1,0,1]=4 1075 B21R3.2280253 O=C(OCc1ccccc1)c2cc3ccc[n]c3[nH]2 Amb24075280 [0,1,0,1,0,0|1,0,0]=3 1076 B21R3.2280253 O=C([C@@H]1Cc2c(N1)cccc2)OCc3ccccc3 Amb16232281 [0,1,0,1,0,0|0,0,2]=4 1077 B21R3.2280253 O=C(c1cc2c([nH]1)cccc2)NCc3ccccc3 Amb2355252 [0,1,0,1,0,0|1,0,0]=3 1078 B21R3.2280253 O=C(c1cc2c([nH]1)cccc2)NCc3ccncc3 Amb223988 [0,1,0,1,0,0|2,0,0]=4 1079 B21R3.2280253 O=C(c1cc2c([nH]1)cccc2)SCc3ccccc3 Amb10573434 [0,1,0,1,0,0|0,1,0]=3 1080 B21R3.2280253 O=C(c1cc2c(o1)cccc2)NCc3ccccc3 Amb1252457 [0,1,0,1,0,0|1,0,0]=3 1081 B21R3.2280253 O=C(c1cc2c(o1)cccc2)\C=C\c3ccccc3 Amb1016602 [0,1,0,1,0,0|1,0,1]=4 1082 B21R3.2280253 O=C(c1cc2c(s1)cccc2)NCc3ccccn3 Amb1568814 [0,1,0,1,0,0|2,0,0]=4 1083 B21R3.2280253 O=C(c1nc2n(c1)cccc2)NCc3ccccc3 Amb11214463 [0,1,0,1,0,0|2,0,0]=4 1084 B21R3.505 Cc1cc2ccccc2[n]c1NCc3ccccc3 Amb24079973 [0,1,0,1,0,0|2,0,0]=4 1085 B21R3.505 Cc1nc2ccccc2cc1OCc3ccccc3 Amb2416913 [0,1,0,1,0,0|2,0,0]=4 1086 B21R3.505 Clc1[n]c2ccccc2[n]c1OCc3ccccc3 Amb25317361 [0,1,0,1,0,0|2,0,0]=4 1087 B21R3.7747 Clc1cc([n][n]1Cc2ccccc2)-c3ccccc3 Amb25239922 [0,1,0,1,0,0|2,0,0]=4 1088 B21R3.7747 Nc1cc(nn1Cc2ccccc2)c3ccccc3 Amb1022370 [0,1,0,1,0,0|2,0,0]=4 1089 B21R3.7747 O=C/1C=C(C\C1=C/c2ccccc2)c3ccccc3 Amb19909977 [0,1,0,1,0,0|1,0,1]=4 1090 B21R3.7747 O=C/1OC(=N\C1=C/c2ccccc2)c3ccccc3 Amb1156683 [0,1,0,1,0,0|0,0,1]=3 1091 B21R3.7747 O=C1CC(=NN1Cc2ccccc2)c3ccccc3 Amb10134934 [0,1,0,1,0,0|1,0,1]=4 1092 B21R3.7747 O=C1NC(=NN1Cc2ccccc2)c3ccccc3 Amb22451943 [0,1,0,1,0,0|2,0,0]=4 1093 B21R3.7747 O=C1OC(=NC1=Cc2cccc[n]2)c3ccccc3 Amb22474629 [0,1,0,1,0,0|1,0,1]=4 1094 B21R3.7747 O=C1OC(=NC1=Cc2ccccc2)c3ccccc3 Amb24189016 [0,1,0,1,0,0|0,0,1]=3 1095 B21R3.7747 O=C1OC(N=C1Cc2ccccc2)c3ccccc3 Amb22002030 [0,1,0,1,0,0|0,0,1]=3 1096 B21R3.7747 O=C1OC(NC1=Cc2ccccc2)c3ccccc3 Amb22477322 [0,1,0,1,0,0|0,0,0]=2 1097 B21R3.7747 Oc1cc([n][n]1Cc2ccccc2)-c3ccccc3 Amb25272436 [0,1,0,1,0,0|1,0,1]=4 1098 B21R3.7817 O=C1C(C(OC1=O)c2ccccc2)c3ccccc3 Amb22456129 [0,1,0,1,0,0|0,0,1]=3 1099 B21R3.7817 O=C1CC(C(=C1C)c2ccccc2)c3ccccc3 Amb2229437 [0,1,0,1,0,0|1,0,0]=3 1100 B21R3.7817 O=C1CC(N(C1=O)c2ccccc2)c3ccccc3 Amb17596918 [0,1,0,1,0,0|2,0,0]=4 1101 B21R3.7817 OC1C(C(OC1=O)c2ccccc2)c3ccccc3 Amb22479791 [0,1,0,1,0,0|0,0,2]=4 1102 B21R3.24438 CN(Cc1ccccc1)c2ccc3ccccc3[n]2 Amb17967473 [0,1,0,1,0,0|2,0,0]=4 1103 B21R3.24438 O=C(Cc1ccccc1)c2ccc3ccccc3c2 Amb17777324 [0,1,0,1,0,0|2,0,0]=4 1104 B21R3.24438 O=C(Cc1ccccc1)c2ccc3ccccc3c2 Amb17842793 [0,1,0,1,0,0|2,0,0]=4 1105 B21R3.203 O=C1C=C(C=C(N1)c2ccccc2)c3ccccc3 Amb22452601 [0,1,0,1,0,0|1,0,1]=4 1106 B21R3.203 O=C1C=C(C=C(O1)c2ccccc2)c3ccccc3 Amb19665556 [0,1,0,1,0,0|0,0,1]=3 1107 B21R3.203 O=C1C=C(N=C(N1)c2ccccc2)c3ccccc3 Amb20101128 [0,1,0,1,0,0|1,0,1]=4 1108 B21R3.203 O=C1C=C(N=C(O1)c2ccccc2)c3ccccc3 Amb19518110 [0,1,0,1,0,0|0,0,1]=3 1109 B21R3.203 O=C1C=C(OC(=C1)c2ccccc2)c3ccccc3 Amb22366729 [0,1,0,1,0,0|1,0,1]=4 1110 B21R3.203 O=C1C=C(SC(=C1)c2ccccc2)c3ccccc3 Amb20030770 [0,1,0,1,0,0|1,0,1]=4 1111 B21R3.203 O=C1CC(CC(=C1)c2ccccc2)c3ccccc3 Amb10792792 [0,1,0,1,0,0|1,0,0]=3 1112 B21R3.203 O=C1CC(OC(=C1)c2ccccc2)c3ccccc3 Amb22750069 [0,1,0,1,0,0|1,0,0]=3 1113 B21R3.203 O=C1N=C(SC(O1)c2ccccc2)c3ccccc3 Amb22462358 [0,1,0,1,0,0|1,0,0]=3 1114 B21R3.203 O=c1cc(cc([nH]1)c2ccccc2)c3ccccc3 Amb10555139 [0,1,0,1,0,0|1,0,1]=4 1115 B21R3.203 S=C1C=C(C=C(O1)c2ccccc2)c3ccccc3 Amb22480932 [0,1,0,1,0,0|0,1,1]=4 1116 B21R3.7827 O=C1C=C(C(C1)(O)c2ccccc2)c3ccccc3 Amb1107148 [0,1,0,1,0,0|1,0,0]=3 1117 B21R3.22326 Cc1ccc2ccccc2c1C(O)c3ccccc3 Amb23552427 [0,1,0,1,0,0|2,0,0]=4 1118 B21R3.22326 Oc1ccc2c(c1C(c3ccccc3)N)cccc2 Amb1154231 [0,1,0,1,0,0|1,0,1]=4 1119 B21R3.22326 Oc1ccc2c(c1C(c3ccccc3)N)cccc2 Amb1993821 [0,1,0,1,0,0|1,0,1]=4 1120 B21R3.24492 CC(c1ccccc1)Sc2ccc3c(n2)cccc3 Amb10577581 [0,1,0,1,0,0|1,1,0]=4 1121 B21R3.24492 OC(c1ccccc1)Cc2ccc3c(n2)cccc3 Amb16200314 [0,1,0,1,0,0|2,0,0]=4 1122 B21R3.24492 S=C(c1ccccc1)Oc2ccc3c(c2)cccc3 Amb10574280 [0,1,0,1,0,0|1,0,1]=4 1123 B21R3.411497 CC1=CC(=O)N(Cc2ccccc2)c3ccccc31 Amb18001026 [0,1,0,1,0,0|1,0,0]=3 1124 B21R3.411497 CC1=CC(=O)c2ccccc2N1Cc3ccccc3 Amb19544553 [0,1,0,1,0,0|2,0,0]=4 1125 B21R3.411497 O=C/1NC(=S)c2ccccc2\C1=C\c3ccccc3 Amb21952647 [0,1,0,1,0,0|1,0,1]=4 1126 B21R3.411497 O=C1C=C(Cl)c2ccc[n]c2N1Cc3ccccc3 Amb22263744 [0,1,0,1,0,0|2,0,0]=4 1127 B21R3.411497 O=C1NC(=O)N(Cc2ccccc2)c3ccccc13 Amb25245368 [0,1,0,1,0,0|2,0,0]=4 1128 B21R3.411497 O=C1NC(=O)c2ccccc2/C1=C/c3ccccc3 Amb17779201 [0,1,0,1,0,0|1,0,1]=4 1129 B21R3.411497 O=C1OC(=O)N(Cc2ccccc2)c3ccccc13 Amb19884095 [0,1,0,1,0,0|2,0,0]=4 1130 B21R3.411497 OC1=CC(=O)N(Cc2ccccc2)c3[n]cccc31 Amb18532549 [0,1,0,1,0,0|2,0,0]=4 1131 B21R3.411497 OC1=CC(=O)N(Cc2ccccc2)c3ccccc31 Amb19655009 [0,1,0,1,0,0|1,0,0]=3 1132 B21R3.444247 Cc1cc(NCc2ccccc2)nc3c1cccc3 Amb2231384 [0,1,0,1,0,0|2,0,0]=4 1133 B21R3.444247 Cc1cc(SCc2ccccc2)nc3c1cccc3 Amb1991035 [0,1,0,1,0,0|1,1,0]=4 1134 B21R3.444247 O=C1NC(=Cc2ccccc21)OCc3ccccc3 Amb24584108 [0,1,0,1,0,0|2,0,0]=4 1135 B21R3.444247 O=C1OC(\C=C\c2ccccc2)=Nc3ccccc31 Amb18003599 [0,1,0,1,0,0|1,0,1]=4 1136 B21R3.444247 O=c1cc(CCc2ccccc2)oc3ccccc31 Amb24089700 [0,1,0,1,0,0|1,0,1]=4 1137 B21R3.33363 O=Cc1[n]c(c(o1)-c2ccccc2)-c3ccccc3 Amb22486770 [0,1,0,1,0,0|1,0,1]=4 1138 B21R3.33363 O=Cc1cc(-c2ccccc2)[n]([n]1)-c3ccccc3 Amb22752858 [0,1,0,1,0,0|2,0,0]=4 1139 B21R3.33363 O=Cc1cc(c([s]1)-c2ccccc2)-c3ccccc3 Amb22454759 [0,1,0,1,0,0|0,1,1]=4 1140 B21R3.3944604 Brc1c2ccccc2ccc1OCc3ccccc3 Amb22265827 [0,1,0,1,0,0|1,0,0]=3 1141 B21R3.3944604 Clc1c2ccccc2ccc1OCc3ccccc3 Amb22483133 [0,1,0,1,0,0|1,0,0]=3 1142 B17R2.2382 C(=C/c1ccccc1)\C=C\c2ccccc2 Amb2458220 [1,0,0,0,1,0|0,0,1]=3 1143 B17R2.2382 C(N\C=C\c1ccccc1)c2ccccc2 Amb25350265 [1,0,0,0,1,0|1,0,0]=3 1144 B17R2.2382 C(OCCc1ccccc1)c2ccccc2 Amb24092972 [1,0,0,0,1,0|0,0,2]=4 1145 B17R2.2382 C(ON=Cc1c[n]ccc1)c2ccccc2 Amb24072697 [1,0,0,0,1,0|2,0,0]=4 1146 B17R2.2382 C(O\C=N\c1ccccc1)c2ccccc2 Amb24629275 [1,0,0,0,1,0|1,0,0]=3 1147 B17R2.2382 C(O\N=C\c1cc[n]cc1)c2ccccc2 Amb25370566 [1,0,0,0,1,0|2,0,0]=4 1148 B17R2.2382 c1ccc(cc1)SC\C=C\c2ccccc2 Amb2433200 [1,0,0,0,1,0|0,1,1]=4 1149 B17R2.2382 c1ccc(cc1)\C=C\C=N\[n+]2ccccc2 Amb1147488 [1,0,0,0,1,0|2,0,0]=4 1150 B17R2.2382 c1ccc(cc1)\C=C\C=N\c2ccccc2 Amb2459649 [1,0,0,0,1,0|1,0,0]=3 1151 B17R2.2382 c1ccc(cc1)\C=N/C=C\c2ccccc2 Amb10559943 [1,0,0,0,1,0|1,0,1]=4 1152 B17R2.2382 c1ccccc1SC=CSc2ccccc2 Amb24323388 [1,0,0,0,1,0|1,1,0]=4 1153 B17R2.143 C\C(=C\c1ccccc1)\Sc2ccccc2 Amb10559175 [0,0,0,0,2,0|1,1,0]=4 1154 B17R2.143 N\C(\Cc1ccccc1)=N\c2ccccc2 Amb23569059 [0,0,0,0,2,0|2,0,0]=4 1155 B17R2.143 O=C(Cc1cc[n]cc1)Nc2ccccc2 Amb22465987 [0,0,0,0,2,0|2,0,0]=4 1156 B17R2.143 O=C(Nc1ccccc1)C[n+]2ccccc2 Amb1205584 [0,0,0,0,2,0|2,0,0]=4 1157 B17R2.143 O=C(Nc1ccccc1)Nc2ccccc2 Amb1245995 [0,0,0,0,2,0|2,0,0]=4 1158 B17R2.143 O=C(Nc1ccccc1)Sc2ccccc2 Amb24310271 [0,0,0,0,2,0|1,1,0]=4 1159 B17R2.143 O=C(Oc1ccccc1)Nc2cccnc2 Amb1557114 [0,0,0,0,2,0|2,0,0]=4 1160 B17R2.143 O=C(Oc1ccccc1)Oc2ccccc2 Amb1260798 [0,0,0,0,2,0|1,0,0]=3 1161 B17R2.143 O=C(Sc1ccccc1)Cc2ccccc2 Amb10575812 [0,0,0,0,2,0|1,0,0]=3 1162 B17R2.143 O=P(Cc1ccccc1)Cc2ccccc2 Amb1153279 [0,0,0,0,2,0|1,0,1]=4 1163 B17R2.143 S=C(Cc1ccccc1)Nc2ccccc2 Amb22468953 [0,0,0,0,2,0|1,1,0]=4 1164 B17R2.143 [O-]\[N+](=C/c1ccccc1)\Cc2ccccc2 Amb2441935 [0,0,0,0,2,0|1,0,1]=4 1165 B17R2.143 [O-]\[N+](\Cc1ccccc1)=C\c2ccccc2 Amb25852834 [0,0,0,0,2,0|1,0,1]=4 1166 B17R2.2342 ClC(\C=C\c1ccccc1)c2ccccc2 Amb24121369 [0,0,0,0,2,0|1,0,1]=4 1167 B17R2.2342 N=C(NCc1ccccc1)c2ccccc2 Amb23447124 [0,0,0,0,2,0|2,0,0]=4 1168 B17R2.2342 N=C(c1ccccc1)SCc2ccccc2 Amb10559697 [0,0,0,0,2,0|1,1,0]=4 1169 B17R2.2342 N=C(c1ccccn1)OCc2ccccc2 Amb10553347 [0,0,0,0,2,0|2,0,0]=4 1170 B17R2.2342 O=C(/C=C/c1ccccc1)c2ccccc2 Amb17777126 [0,0,0,0,2,0|0,0,0]=2 1171 B17R2.2342 O=C(C=Cc1cccc[n]1)c2ccccc2 Amb24064883 [0,0,0,0,2,0|1,0,0]=3 1172 B17R2.2342 O=C(C=Cc1ccccc1)c2c[n]ccc2 Amb22358854 [0,0,0,0,2,0|1,0,0]=3 1173 B17R2.2342 O=C(C=Cc1ccccc1)c2cc[n]cc2 Amb22358856 [0,0,0,0,2,0|1,0,0]=3 1174 B17R2.2342 O=C(C=Nc1ccccc1)c2ccccc2 Amb22479824 [0,0,0,0,2,0|1,0,0]=3 1175 B17R2.2342 O=C(N=Nc1ccccc1)c2ccccc2 Amb24064474 [0,0,0,0,2,0|2,0,0]=4 1176 B17R2.2342 O=C(NCc1ccccc1)c2c[n]ccc2 Amb20656162 [0,0,0,0,2,0|2,0,0]=4 1177 B17R2.2342 O=C(NOc1ccccc1)c2ccccc2 Amb22484084 [0,0,0,0,2,0|2,0,0]=4 1178 B17R2.2342 O=C(OCc1c[n]cc[n]1)c2ccccc2 Amb19371807 [0,0,0,0,2,0|2,0,0]=4 1179 B17R2.2342 O=C(OCc1cccc[n]1)c2cccc[n]2 Amb24085010 [0,0,0,0,2,0|2,0,0]=4 1180 B17R2.2342 O=C(OCc1ccccc1)N2CC=CC=C2 Amb22234666 [0,0,0,0,2,0|1,0,1]=4 1181 B17R2.2342 O=C(O[Hg]c1ccccc1)c2ccccc2 Amb22733234 [0,0,0,0,2,0|1,0,0]=3 1182 B17R2.2342 O=C(\C=C\c1ccccc1)c2cc[nH+]cc2 Amb22342936 [0,0,0,0,2,0|1,0,0]=3 1183 B17R2.2342 O=C(\C=C\c1ccccc1)c2cc[n]cc2 Amb22369494 [0,0,0,0,2,0|1,0,0]=3 1184 B17R2.2342 O=C(c1ccccc1)CCc2ccccc2 Amb2228399 [0,0,0,0,2,0|1,0,0]=3 1185 B17R2.2342 O=C(c1ccccc1)CCc2cccnc2 Amb17507860 [0,0,0,0,2,0|2,0,0]=4 1186 B17R2.2342 O=C(c1ccccc1)NC[n+]2ccccc2 Amb2507574 [0,0,0,0,2,0|2,0,0]=4 1187 B17R2.2342 O=C(c1ccccc1)NCc2ccccn2 Amb1546137 [0,0,0,0,2,0|2,0,0]=4 1188 B17R2.2342 O=C(c1ccccc1)NNc2ccccc2 Amb1229298 [0,0,0,0,2,0|2,0,0]=4 1189 B17R2.2342 O=C(c1ccccc1)OCc2ccccn2 Amb16207520 [0,0,0,0,2,0|1,0,0]=3 1190 B17R2.2342 O=C(c1ccccc1)SCc2ccccc2 Amb1394994 [0,0,0,0,2,0|0,1,0]=3 1191 B17R2.2342 O=C(c1ccccc1)\C=C\c2ccccn2 Amb17140401 [0,0,0,0,2,0|1,0,0]=3 1192 B17R2.2342 O=C(c1ccccc1)\C=C\c2cccnc2 Amb135551 [0,0,0,0,2,0|1,0,0]=3 1193 B17R2.2342 O=C(c1ccccc1)\N=N\c2ccccc2 Amb16231118 [0,0,0,0,2,0|2,0,0]=4 1194 B17R2.2342 O=C(c1ccccn1)NCc2ccccc2 Amb1239907 [0,0,0,0,2,0|2,0,0]=4 1195 B17R2.2342 O=C(c1ccccn1)SCc2ccccc2 Amb10573015 [0,0,0,0,2,0|1,1,0]=4 1196 B17R2.2342 O=C(c1ccccn1)\C=C\c2ccccc2 Amb2418890 [0,0,0,0,2,0|1,0,0]=3 1197 B17R2.2342 O=C(c1cccnc1)CCc2ccccc2 Amb17240896 [0,0,0,0,2,0|2,0,0]=4 1198 B17R2.2342 O=C(c1cccnc1)NCc2ccccc2 Amb1195994 [0,0,0,0,2,0|2,0,0]=4 1199 B17R2.2342 O=C(c1cccnc1)OCc2ccccc2 Amb1548203 [0,0,0,0,2,0|1,0,0]=3 1200 B17R2.2342 O=C(c1cccnc1)\C=C\c2ccccc2 Amb11226469 [0,0,0,0,2,0|1,0,0]=3 1201 B17R2.2342 O=C(c1cccnc1)\C=C\c2cccnc2 Amb1570573 [0,0,0,0,2,0|2,0,0]=4 1202 B17R2.2342 O=C(c1ccncc1)OCc2ccccc2 Amb2251405 [0,0,0,0,2,0|1,0,0]=3 1203 B17R2.2342 O=C(c1ccncc1)\C=C\c2ccccc2 Amb10554722 [0,0,0,0,2,0|1,0,0]=3 1204 B17R2.2342 O=C(c1ccncc1)\C=C\c2cccnc2 Amb13949229 [0,0,0,0,2,0|2,0,0]=4 1205 B17R2.2342 O=S(NCc1ccccc1)c2ccccc2 Amb24073620 [0,0,0,0,2,0|2,0,0]=4 1206 B17R2.2342 ON(/C=C/c1ccccc1)c2ccccc2 Amb17778079 [0,0,0,0,2,0|1,0,1]=4 1207 B17R2.2342 S=C(SCc1ccccc1)c2ccccc2 Amb22270141 [0,0,0,0,2,0|0,2,0]=4 1208 B17R2.2342 S=C(c1ccccc1)NCc2ccccc2 Amb1212595 [0,0,0,0,2,0|1,1,0]=4 1209 B17R2.8343 O=C(N[n]1cccc1)OCc2ccccc2 Amb25370557 [0,0,0,0,2,0|2,0,0]=4 1210 B17R2.8343 O=C(Nc1ccoc1)OCc2ccccc2 Amb22230282 [0,0,0,0,2,0|2,0,0]=4 1211 B19R2.2628 C(\C=C\C=N\c1ccccc1)Nc2ccccc2 Amb22731858 [1,0,0,0,0,1|2,0,0]=4 1212 B19R2.113693 O=C(C=Cc1cccs1)NOCc2ccccc2 Amb11244077 [0,0,0,0,1,1|1,0,0]=3 1213 B19R2.113693 O=C(NCc1ccco1)\C=C\Sc2ccccc2 Amb122804 [0,0,0,0,1,1|2,0,0]=4 1214 B19R2.113693 O=C(\C=C\c1ccco1)NCCc2ccccc2 Amb1548460 [0,0,0,0,1,1|2,0,0]=4 1215 B19R2.113693 O=C(\C=C\c1ccco1)NOCc2ccccc2 Amb15957177 [0,0,0,0,1,1|1,0,0]=3 1216 B19R2.113693 O=C(\C=C\c1cscc1)NCCc2ccccc2 Amb1224437 [0,0,0,0,1,1|2,0,0]=4 1217 B21R2.257631 O=C(C=Cc1cc[n]cc1)NCCOc2ccccc2 Amb20923530 [0,0,0,0,0,2|2,0,0]=4 1218 B21R2.257631 O=C(C=Cc1ccccc1)NCC=Cc2ccccc2 Amb22359242 [0,0,0,0,0,2|1,0,0]=3 1219 B21R2.257631 O=C(C=Cc1ccccc1)OCCCc2cc[n]cc2 Amb21226586 [0,0,0,0,0,2|1,0,0]=3 1220 B21R2.257631 O=C(C=Cc1cccnc1)NCCOc2ccccc2 Amb11284462 [0,0,0,0,0,2|2,0,0]=4 1221 B21R2.257631 O=C(CCc1ccccc1)OCCCc2ccccc2 Amb24094185 [0,0,0,0,0,2|0,0,2]=4 1222 B21R2.257631 O=C(CCc1ccccc1)\C=C\C=C\c2ccccc2 Amb20622183 [0,0,0,0,0,2|1,0,0]=3 1223 B21R2.257631 O=C(CNOCc1ccccc1)NCc2ccccc2 Amb25026613 [0,0,0,0,0,2|1,0,1]=4 1224 B21R2.257631 O=C(NCCCc1ccccc1)OCc2ccccc2 Amb25369949 [0,0,0,0,0,2|0,0,2]=4 1225 B21R2.257631 O=C(NCCOc1ccccc1)OCc2ccccc2 Amb25712445 [0,0,0,0,0,2|0,0,2]=4 1226 B21R2.257631 O=C(OC/C=C/c1ccccc1)/C=C/c2ccccc2 Amb17702296 [0,0,0,0,0,2|0,0,0]=2 1227 B21R2.257631 O=C(\C=C/c1ccccc1)NCC#Cc2ccccc2 Amb16228017 [0,0,0,0,0,2|1,0,0]=3 1228 B21R2.257631 O=C(\C=C\OCc1ccccc1)OCc2ccccc2 Amb24523735 [0,0,0,0,0,2|0,0,0]=2 1229 B21R2.257631 O=C(\C=C\c1cc[n]cc1)NCC#Cc2ccccc2 Amb21704015 [0,0,0,0,0,2|2,0,0]=4 1230 B21R2.257631 O=C(\C=C\c1ccc[n]c1)NCC#Cc2ccccc2 Amb21247726 [0,0,0,0,0,2|2,0,0]=4 1231 B21R2.257631 O=C(\C=C\c1ccc[n]c1)NC\C=C\c2ccccc2 Amb24241533 [0,0,0,0,0,2|2,0,0]=4 1232 B21R2.257631 O=C(\C=C\c1ccccc1)NCC#Cc2ccccc2 Amb21191566 [0,0,0,0,0,2|1,0,0]=3 1233 B21R2.257631 O=C(\C=C\c1ccccc1)OCC#Cc2ccccc2 Amb22359264 [0,0,0,0,0,2|0,0,0]=2 1234 B21R2.257631 O=C(\C=C\c1cccnc1)NCCCc2ccccc2 Amb11287162 [0,0,0,0,0,2|2,0,0]=4 1235 B21R2.257631 O=C(\C=C\c1cccnc1)NCCSc2ccccc2 Amb11287283 [0,0,0,0,0,2|2,0,0]=4 1236 B21R2.257676 O=C(CCOc1ccccc1)NOCc2ccccc2 Amb21387991 [0,0,0,0,0,2|0,0,2]=4 1237 B21R2.257676 O=C(CCSc1ccccc1)NOCc2ccccc2 Amb21387982 [0,0,0,0,0,2|0,0,2]=4 1238 B21R2.257676 O=C(CCSc1ccccc1)OCCc2ccccc2 Amb21195736 [0,0,0,0,0,2|0,0,2]=4 1239 B21R2.257676 O=C(COCc1ccccc1)NOCc2ccccc2 Amb25026858 [0,0,0,0,0,2|0,0,2]=4 1240 B21R2.257676 O=C(NOCc1ccccc1)NCCc2ccccc2 Amb11273881 [0,0,0,0,0,2|0,0,2]=4