0 B14R1.42 CCC1=C(C=CC(=C1)OCC(=O)N)Cl Z16051627 [0,0,0,0,0,0|4,0,0]=4 1 B14R1.42 CCC1=C(C=CC(=C1)OCC(=O)O)Cl Z228583428 [0,0,0,0,0,0|4,0,0]=4 2 B14R1.42 COC1=C(C=CC(=C1)/C=C/C(=O)O)F Z1201621929 [0,0,0,0,0,0|2,0,2]=4 3 B14R1.42 COC1=C(C=CC(=C1)/C=C/C(=O)O)O Z56782558 [0,0,0,0,0,0|1,0,2]=3 4 B14R1.42 COC1=C(C=CC(=C1)/C=C/C(C)O)O Z1513917280 [0,0,0,0,0,0|0,0,4]=4 5 B14R1.42 COC1=C(C=CC(=C1)CCC(=O)C)O Z1255442373 [0,0,0,0,0,0|0,0,0]=0 6 B14R1.42 COC1=C(C=CC(=C1)CCC(=O)O)Cl Z1269146778 [0,0,0,0,0,0|2,0,0]=2 7 B14R1.42 COC1=C(C=CC(=C1)CCC(=O)O)O Z317038020 [0,0,0,0,0,0|1,0,0]=1 8 B14R1.42 COC1=C(C=CC(=C1)CCC(C)N)O Z3324923673 [0,0,0,0,0,0|1,0,1]=2 9 B14R1.42 O=CC1=C(C=CC(=C1)CCC(=O)O)O Z1262519251 [0,0,0,0,0,0|3,0,0]=3 10 B13R1.511 CC(=O)CCC1=CC(=C(C=C1)Cl)Cl Z406376846 [1,0,0,0,0,0|2,0,0]=3 11 B13R1.511 CC(=O)CCC1=CC(=C(C=C1)F)F Z1021461268 [1,0,0,0,0,0|2,0,0]=3 12 B13R1.511 CC(=O)CCC1=CC(=C(C=C1)O)F Z1083021660 [1,0,0,0,0,0|1,0,0]=2 13 B13R1.511 CC(=O)COC1=CC(=C(C=C1)F)F Z427845606 [1,0,0,0,0,0|3,0,0]=4 14 B13R1.511 CC(=O)NCC1=CC(=C(C=C1)Cl)C Z1667602107 [1,0,0,0,0,0|2,0,0]=3 15 B13R1.511 CC(=O)NCC1=CC(=C(C=C1)F)C Z212644652 [1,0,0,0,0,0|2,0,0]=3 16 B13R1.511 CC(=O)OCC1=CC(=O)C(=CO1)O Z1235828823 [1,0,0,0,0,0|2,0,1]=4 17 B13R1.511 CC1=C(C=C(C=C1)CCC(=O)O)C Z445853388 [1,0,0,0,0,0|2,0,0]=3 18 B13R1.511 CC1=C(C=C(C=C1)CCC(=O)O)Cl Z185153284 [1,0,0,0,0,0|3,0,0]=4 19 B13R1.511 CC1=C(C=C(C=C1)OCC(=O)N)C Z18468931 [1,0,0,0,0,0|3,0,0]=4 20 B13R1.511 CC1=C(C=C(C=C1)OCC(=O)O)C Z56820874 [1,0,0,0,0,0|3,0,0]=4 21 B13R1.511 CC1=C(C=C(C=C1)SCC(=O)N)C Z24835957 [1,0,0,0,0,0|3,0,0]=4 22 B13R1.511 CC1=C(C=C(C=C1)SCC(=O)O)C Z55903758 [1,0,0,0,0,0|3,0,0]=4 23 B13R1.511 CC1=C(C=CC(=C1)CCC(=O)N)Br Z1359984894 [1,0,0,0,0,0|2,0,0]=3 24 B13R1.511 CC1=C(C=CC(=C1)CCC(=O)O)Br Z1269176292 [1,0,0,0,0,0|2,0,0]=3 25 B13R1.511 CC1=C(C=CC(=C1)OCC(=O)N)Cl Z18758332 [1,0,0,0,0,0|3,0,0]=4 26 B13R1.511 CC1=C(C=CC(=C1)OCC(=O)N)N Z239127644 [1,0,0,0,0,0|3,0,0]=4 27 B13R1.511 CC1=C(C=CC(=C1)OCC(=O)O)Br Z57204188 [1,0,0,0,0,0|3,0,0]=4 28 B13R1.511 CC1=C(C=CC(=C1)OCC(=O)O)Cl Z56823032 [1,0,0,0,0,0|3,0,0]=4 29 B13R1.511 CC1=C(C=CC(=C1)OCC(=O)O)F Z1262524725 [1,0,0,0,0,0|3,0,0]=4 30 B13R1.511 CN(C)CCC1=CC(=C(C=C1)O)O Z1501469796 [1,0,0,0,0,0|2,0,0]=3 31 B13R1.511 NC(=O)CCC1=CC(=C(C=C1)F)F Z365255896 [1,0,0,0,0,0|3,0,0]=4 32 B13R1.511 NC(=O)NCC1=CC(=C(C=C1)O)F Z1244088772 [1,0,0,0,0,0|3,0,0]=4 33 B13R1.511 O=C(O)/C=C/C1=CC(=C(C=C1)O)O Z240113804 [1,0,0,0,0,0|1,0,2]=4 34 B13R1.511 O=C(O)CCC1=CC(=C(C=C1)Br)Cl Z57039611 [1,0,0,0,0,0|3,0,0]=4 35 B13R1.511 O=C(O)CCC1=CC(=C(C=C1)Cl)Cl Z237515176 [1,0,0,0,0,0|3,0,0]=4 36 B13R1.511 O=C(O)CCC1=CC(=C(C=C1)Cl)F Z838969840 [1,0,0,0,0,0|3,0,0]=4 37 B13R1.511 O=C(O)CCC1=CC(=C(C=C1)O)Cl Z839165388 [1,0,0,0,0,0|2,0,0]=3 38 B13R1.575 CCCCC1=CC(=C(C=C1)O)C=O Z1504264331 [1,0,0,0,0,0|2,0,1]=4 39 B13R1.575 CNCCC1=CC(=C(C=C1)O)OC Z4437707719 [1,0,0,0,0,0|1,0,0]=2 40 B13R1.575 COCCC1=CC(=C(C=C1)O)C=O Z979493242 [1,0,0,0,0,0|3,0,0]=4 41 B13R1.643 CC(=O)NCC1=CC(=CC=C1)CN Z1262398496 [1,0,0,0,0,0|3,0,0]=4 42 B13R1.643 CCC1=CC(=CC=C1)OCC(=O)O Z56910356 [1,0,0,0,0,0|3,0,0]=4 43 B13R1.643 CNC1=CC(=CC=C1)CCC(=O)O Z1623872023 [1,0,0,0,0,0|2,0,0]=3 44 B13R1.643 COC1=CC(=CC=C1)/C=C/C(=O)C Z85921945 [1,0,0,0,0,0|0,0,2]=3 45 B13R1.643 COC1=CC(=CC=C1)/C=C/C(=O)O Z104494816 [1,0,0,0,0,0|1,0,2]=4 46 B13R1.643 COC1=CC(=CC=C1)CCC(=O)O Z169916350 [1,0,0,0,0,0|1,0,0]=2 47 B13R1.643 COC1=CC(=CC=C1)CNC(=O)N Z198194944 [1,0,0,0,0,0|2,0,0]=3 48 B13R1.643 COC1=CC(=CC=C1)NCC(=O)N Z104592028 [1,0,0,0,0,0|2,0,0]=3 49 B13R1.643 COC1=CC(=CC=C1)NCC(=O)O Z274534684 [1,0,0,0,0,0|2,0,0]=3 50 B13R1.643 COC1=CC(=CC=C1)OCC(=O)O Z56782975 [1,0,0,0,0,0|2,0,0]=3 51 B13R1.643 COC1=CC(=CC=C1)SCC(=O)N Z290601360 [1,0,0,0,0,0|2,0,0]=3 52 B13R1.643 COC1=CC(=CC=C1)SCC(=O)O Z239812082 [1,0,0,0,0,0|2,0,0]=3 53 B13R1.643 COC1=CC(=CN=C1)CCC(=O)O Z1255460812 [1,0,0,0,0,0|2,0,0]=3 54 B13R1.643 COC1=NC(=CC=C1)CCC(=O)O Z3379430802 [1,0,0,0,0,0|2,0,0]=3 55 B13R1.643 O=CC1=CC=CC(=C1)CCC(=O)O Z1198176540 [1,0,0,0,0,0|3,0,0]=4 56 B15R1.392 COC1=C(C(=CC(=C1)/C=C/C(=O)O)Br)O Z56911947 [0,1,0,0,0,0|1,0,2]=4 57 B15R1.392 COC1=C(C(=CC(=C1)/C=C/C(=O)O)Cl)O Z56957444 [0,1,0,0,0,0|1,0,2]=4 58 B15R1.4027 COC1=C(C=CC(=C1)CNC(C)(C)C)O Z600397696 [0,1,0,0,0,0|2,0,1]=4 59 B15R1.4038 COC1=C(C=CC(=C1)CC(N)C(=O)O)O Z3212891663 [0,1,0,0,0,0|1,0,0]=2 60 B15R1.4039 COC(=O)/C=C/C1=CC(=C(C=C1)O)OC Z18704892 [0,1,0,0,0,0|0,0,2]=3 61 B15R1.12854 C=C(C)COC1=CC(=C(C=C1)OC)OC Z1578853098 [0,1,0,0,0,0|2,0,0]=3 62 B15R1.12854 COC1=C(C=C(C=C1)/C=C/C(=O)O)OC Z2573653932 [0,1,0,0,0,0|1,0,2]=4 63 B15R1.12854 COC1=C(C=C(C=C1)CCC(=O)O)OC Z57396496 [0,1,0,0,0,0|1,0,0]=2 64 B15R1.12854 COC1=C(C=C(C=C1)CCN(C)C)OC Z103749396 [0,1,0,0,0,0|2,0,0]=3 65 B15R1.12854 COC1=C(C=C(C=C1)CNC(=O)C)OC Z26441089 [0,1,0,0,0,0|1,0,0]=2 66 B15R1.12854 COC1=C(C=C(C=C1)CNC(C)C)OC Z3244908399 [0,1,0,0,0,0|2,0,1]=4 67 B15R1.12854 COC1=C(C=CC(=C1)OCC(=O)O)C=O Z1508954568 [0,1,0,0,0,0|2,0,1]=4 68 B15R2.1754 COC1=C(C=C2NC(=O)CCC2=C1)N Z424827182 [0,0,0,1,0,0|2,0,0]=3 69 B15R2.4522 COC1=C(C=CC(=C1)CNC2CC2)O Z86138868 [0,0,0,1,0,0|2,0,1]=4 70 B15R2.7688 CC(=O)CCC1=CC2=C(C=C1)OCO2 Z56795046 [0,0,0,1,0,0|0,0,0]=1 71 B15R2.7688 CC(N)CCC1=CC2=C(C=C1)OCO2 Z239627126 [0,0,0,1,0,0|1,0,1]=3 72 B15R2.7688 CC(O)CCC1=CC2=C(C=C1)OCO2 Z335245112 [0,0,0,1,0,0|0,0,2]=3 73 B15R2.7688 O=C(O)/C=C/C1=CC2=C(C=C1)OCO2 Z56789057 [0,0,0,1,0,0|1,0,2]=4 74 B15R2.7688 O=C(O)C#CC1=CC2=C(C=C1)OCO2 Z1255435161 [0,0,0,1,0,0|1,0,2]=4 75 B15R2.7688 O=C(O)CCC1=CC2=C(C=C1)CCC2 Z1209423865 [0,0,0,1,0,0|3,0,0]=4 76 B15R2.7688 O=C(O)CCC1=CC2=C(C=C1)OC=N2 Z1813194737 [0,0,0,1,0,0|2,0,1]=4 77 B15R2.7688 O=C(O)CCC1=CC2=C(C=C1)OCC2 Z448237234 [0,0,0,1,0,0|2,0,0]=3 78 B15R2.7688 O=C(O)CCC1=CC2=C(C=C1)OCO2 Z185153432 [0,0,0,1,0,0|1,0,0]=2 79 B13R1.52 CCC1=C(C=CC(=C1)NC(=O)C)C Z1216820081 [0,0,0,0,1,0|3,0,0]=4 80 B13R1.52 COC1=C(C=CC(=C1)CC(=O)N)C Z194976376 [0,0,0,0,1,0|2,0,0]=3 81 B13R1.52 COC1=C(C=CC(=C1)CC(=O)O)Br Z1269221903 [0,0,0,0,1,0|2,0,0]=3 82 B13R1.52 COC1=C(C=CC(=C1)CC(=O)O)C Z168876634 [0,0,0,0,1,0|2,0,0]=3 83 B13R1.52 COC1=C(C=CC(=C1)CC(=O)O)Cl Z1269148038 [0,0,0,0,1,0|2,0,0]=3 84 B13R1.52 COC1=C(C=CC(=C1)CC(=O)O)N Z4184587402 [0,0,0,0,1,0|2,0,0]=3 85 B13R1.52 COC1=C(C=CC(=C1)CC(=O)O)O Z1203162033 [0,0,0,0,1,0|1,0,0]=2 86 B13R1.52 COC1=C(C=CC(=C1)CC(C)N)O Z4119887033 [0,0,0,0,1,0|1,0,1]=3 87 B13R1.52 COC1=C(C=CC(=C1)CN(C)C)O Z2177030804 [0,0,0,0,1,0|2,0,0]=3 88 B13R1.52 COC1=C(C=CC(=C1)NC(=O)C)N Z278204678 [0,0,0,0,1,0|2,0,0]=3 89 B13R1.52 COC1=C(C=CC(=C1)NC(=O)N)Br Z1321379839 [0,0,0,0,1,0|3,0,0]=4 90 B13R1.52 COC1=C(C=CC(=C1)NC(=O)N)F Z1763025566 [0,0,0,0,1,0|3,0,0]=4 91 B13R1.52 O=CC1=C(C=CC(=C1)CC(=O)O)O Z1681376601 [0,0,0,0,1,0|3,0,0]=4 92 B15R1.4030 COC1=C(C=CC(=N1)NCCC(=O)N)N Z431595688 [0,0,0,0,0,1|3,0,0]=4 93 B12R1.21 CC(=O)CCC1=CC=C(C=C1)C Z406376788 [2,0,0,0,0,0|1,0,0]=3 94 B12R1.21 CC(=O)CCC1=CC=C(C=C1)F Z406376784 [2,0,0,0,0,0|1,0,0]=3 95 B12R1.21 CC(=O)CCC1=CC=C(C=C1)I Z1263632422 [2,0,0,0,0,0|1,0,0]=3 96 B12R1.21 CC(=O)NCC1=CC=C(C=C1)Br Z816034502 [2,0,0,0,0,0|2,0,0]=4 97 B12R1.21 CC(=O)NCC1=CC=C(C=C1)N Z600391558 [2,0,0,0,0,0|2,0,0]=4 98 B12R1.21 CC(N)CCC1=CC=C(C=C1)O Z220327456 [2,0,0,0,0,0|1,0,1]=4 99 B12R1.21 CC(O)CCC1=CC=C(C=C1)O Z57921369 [2,0,0,0,0,0|0,0,2]=4 100 B12R1.21 CC1=CC=C(C=C1)CCC(=O)N Z194976512 [2,0,0,0,0,0|2,0,0]=4 101 B12R1.21 CC1=CC=C(C=C1)CCC(=O)O Z169855336 [2,0,0,0,0,0|2,0,0]=4 102 B12R1.21 NC(=O)CCC1=CC=C(C=C1)F Z87614992 [2,0,0,0,0,0|2,0,0]=4 103 B12R1.21 NC(=O)CCC1=CC=C(C=C1)N Z414316852 [2,0,0,0,0,0|2,0,0]=4 104 B12R1.21 NC(=O)COC1=CC=C(C=C1)O Z381414726 [2,0,0,0,0,0|2,0,0]=4 105 B12R1.21 NC1=CC=C(C=C1)CCC(=O)O Z336079452 [2,0,0,0,0,0|2,0,0]=4 106 B12R1.21 O=C(O)CCC1=CC=C(C=C1)Br Z118438622 [2,0,0,0,0,0|2,0,0]=4 107 B12R1.21 O=C(O)CCC1=CC=C(C=C1)Cl Z178961272 [2,0,0,0,0,0|2,0,0]=4 108 B12R1.21 O=C(O)CCC1=CC=C(C=C1)F Z89264973 [2,0,0,0,0,0|2,0,0]=4 109 B12R1.21 O=C(O)CCC1=CC=C(C=C1)O Z317038012 [2,0,0,0,0,0|1,0,0]=3 110 B12R1.21 O=C(O)CNC1=CC=C(C=C1)O Z57127481 [2,0,0,0,0,0|2,0,0]=4 111 B12R1.21 O=C(O)COC1=CC=C(C=C1)O Z1192367471 [2,0,0,0,0,0|2,0,0]=4 112 B12R1.21 O=C(O)CSC1=CC=C(C=C1)O Z733878444 [2,0,0,0,0,0|2,0,0]=4 113 B12R1.226 CC(=O)CCC1=CC(=CC=C1)C Z406376778 [2,0,0,0,0,0|0,0,0]=2 114 B12R1.226 CC(=O)CCC1=CC(=CC=C1)F Z406376716 [2,0,0,0,0,0|1,0,0]=3 115 B12R1.226 CC(=O)NCC1=CC(=CC=C1)Br Z340632658 [2,0,0,0,0,0|2,0,0]=4 116 B12R1.226 CC(=O)NCC1=CC(=CC=C1)F Z340527618 [2,0,0,0,0,0|2,0,0]=4 117 B12R1.226 CC(=O)NNC1=CC(=CC=C1)C Z30552180 [2,0,0,0,0,0|2,0,0]=4 118 B12R1.226 CC1=CC(=CC=C1)CCC(=O)N Z194976514 [2,0,0,0,0,0|1,0,0]=3 119 B12R1.226 CC1=CC(=CC=C1)CCC(=O)O Z169993866 [2,0,0,0,0,0|1,0,0]=3 120 B12R1.226 CC1=CC(=CC=C1)NCC(=O)N Z104589324 [2,0,0,0,0,0|2,0,0]=4 121 B12R1.226 CC1=CC(=CC=C1)OCC(=O)N Z19732960 [2,0,0,0,0,0|2,0,0]=4 122 B12R1.226 CC1=CC(=CC=C1)OCC(=O)O Z56899056 [2,0,0,0,0,0|2,0,0]=4 123 B12R1.226 CC1=CC(=CC=C1)SCC(=O)O Z778642574 [2,0,0,0,0,0|2,0,0]=4 124 B12R1.226 NC(=O)CCC1=CC(=CC=C1)N Z414316850 [2,0,0,0,0,0|2,0,0]=4 125 B12R1.226 NC(=O)COC1=CC(=CC=C1)O Z381415558 [2,0,0,0,0,0|2,0,0]=4 126 B12R1.226 O=C(O)CCC1=CC(=CC=C1)Br Z56943439 [2,0,0,0,0,0|2,0,0]=4 127 B12R1.226 O=C(O)CCC1=CC(=CC=C1)F Z185153196 [2,0,0,0,0,0|2,0,0]=4 128 B12R1.226 O=C(O)CCC1=CC(=CC=C1)O Z317038038 [2,0,0,0,0,0|1,0,0]=3 129 B12R1.226 O=C(O)CCC1=CC(=CN=C1)O Z1504676734 [2,0,0,0,0,0|2,0,0]=4 130 B12R1.226 O=C(O)CSC1=CC(=CC=C1)O Z1262555002 [2,0,0,0,0,0|2,0,0]=4 131 B12R1.385 CCCCC1=CC(=C(C=C1)O)C Z1416171318 [2,0,0,0,0,0|0,0,1]=3 132 B12R1.385 CNCCC1=CC(=C(C=C1)O)Br Z3710478807 [2,0,0,0,0,0|2,0,0]=4 133 B12R1.385 COCCC1=CC(=C(C=C1)O)Cl Z1513901493 [2,0,0,0,0,0|2,0,0]=4 134 B12R1.385 O=CCCC1=CC(=C(C=C1)Cl)Cl Z993017630 [2,0,0,0,0,0|2,0,0]=4 135 B12R1.385 O=CCCC1=CC(=C(C=C1)Cl)F Z1198182696 [2,0,0,0,0,0|2,0,0]=4 136 B12R1.385 O=CCCC1=CC(=C(C=C1)F)F Z1198182685 [2,0,0,0,0,0|2,0,0]=4 137 B12R1.286 C/C=C/C1=CC(=C(C=C1)O)OC Z57953030 [2,0,0,0,0,0|0,0,1]=3 138 B12R1.286 C=CCC1=CC(=C(C=C1)O)OC Z56347226 [2,0,0,0,0,0|0,0,1]=3 139 B12R1.286 CCCC1=CC(=C(C=C1)O)CO Z1513840121 [2,0,0,0,0,0|2,0,0]=4 140 B12R1.286 CNCC1=CC(=C(C=C1)O)OC Z425387552 [2,0,0,0,0,0|1,0,0]=3 141 B12R1.286 COC1=C(C=CC(=C1)CCN)C Z1198167712 [2,0,0,0,0,0|2,0,0]=4 142 B12R1.286 COC1=C(C=CC(=C1)CCN)O Z1268152336 [2,0,0,0,0,0|1,0,0]=3 143 B12R1.382 COC1=CC(=CC=C1)CCC=O Z993017768 [2,0,0,0,0,0|0,0,0]=2 144 B12R1.382 COC1=CC(=CC=C1)CCCN Z1262398467 [2,0,0,0,0,0|1,0,1]=4 145 B12R1.382 COC1=CC(=CC=C1)CCCO Z993012490 [2,0,0,0,0,0|0,0,2]=4 146 B12R1.382 COC1=CC(=CN=C1)CCC=O Z1522556054 [2,0,0,0,0,0|1,0,0]=3 147 B14R1.684 C[N+](C)(C)CCC1=CC(=C(C=C1)O)O Z1416163905 [1,1,0,0,0,0|2,0,0]=4 148 B14R1.685 CC1=C(C=C(C=C1)C(N)CC(=O)O)C Z445853348 [1,1,0,0,0,0|2,0,0]=4 149 B14R1.686 CC(CC1=CC(=C(C=C1)O)O)C(=O)O Z1198162859 [1,1,0,0,0,0|1,0,0]=3 150 B14R1.686 CC1=C(C=C(C=C1)CC(N)C(=O)O)C Z2238618571 [1,1,0,0,0,0|2,0,0]=4 151 B14R1.686 CC1=C(C=C(C=C1)CC(S)C(=O)O)C Z57982188 [1,1,0,0,0,0|2,0,0]=4 152 B14R1.686 N[C@@H](CC1=CC(=C(C=C1)O)Br)C(=O)O Z1269188313 [1,1,0,0,0,0|2,0,0]=4 153 B14R1.686 N[C@@H](CC1=CC(=C(C=C1)O)I)C(=O)O Z1269198907 [1,1,0,0,0,0|2,0,0]=4 154 B14R1.686 N[C@@H](CC1=CC(=C(C=C1)O)O)C(=O)O Z756440064 [1,1,0,0,0,0|1,0,0]=3 155 B14R1.686 N[C@H](CC1=CC(=C(C=C1)O)O)C(=O)O Z1255419382 [1,1,0,0,0,0|1,0,0]=3 156 B14R1.833 CC1=C(C=CC(=C1)CNC(=O)CCl)F Z258588542 [1,1,0,0,0,0|2,0,0]=4 157 B14R1.833 CCC(=O)NCC1=CC(=C(C=C1)Cl)C Z1667609305 [1,1,0,0,0,0|2,0,0]=4 158 B14R1.833 CCC(=O)NCC1=CC(=C(C=C1)F)C Z212644980 [1,1,0,0,0,0|2,0,0]=4 159 B14R1.833 CNC(=O)CCC1=CC(=C(C=C1)Br)C Z1360063138 [1,1,0,0,0,0|1,0,0]=3 160 B14R1.833 CNC(=O)COC1=CC(=C(C=C1)N)C Z285226610 [1,1,0,0,0,0|2,0,0]=4 161 B14R1.833 CNC(=O)CSC1=CC(=C(C=C1)C)C Z24835396 [1,1,0,0,0,0|2,0,0]=4 162 B14R1.833 COC(=O)CCC1=CC(=C(C=C1)O)N Z1509418737 [1,1,0,0,0,0|1,0,0]=3 163 B14R1.833 COC(=O)CNC1=CC(=C(C=C1)Br)C Z297588574 [1,1,0,0,0,0|2,0,0]=4 164 B14R1.833 COC(=O)COC1=CC(=C(C=C1)N)C Z239127646 [1,1,0,0,0,0|2,0,0]=4 165 B14R1.3653 COC1=C(C=C(C=C1)CCC(=O)C)O Z1268633028 [1,1,0,0,0,0|0,0,0]=2 166 B14R1.3653 COC1=C(C=C(C=C1)CCC(=O)O)Br Z303635158 [1,1,0,0,0,0|2,0,0]=4 167 B14R1.3653 COC1=C(C=C(C=C1)CCC(=O)O)Cl Z235345357 [1,1,0,0,0,0|2,0,0]=4 168 B14R1.3653 COC1=C(C=C(C=C1)CCC(=O)O)N Z1251354132 [1,1,0,0,0,0|2,0,0]=4 169 B14R1.3653 COC1=C(C=C(C=C1)CCC(=O)O)O Z317038026 [1,1,0,0,0,0|1,0,0]=3 170 B14R1.3653 COC1=C(C=C(C=C1)OCC(=O)O)C Z1430609738 [1,1,0,0,0,0|2,0,0]=4 171 B14R1.791 CCNCC1=CC(=C(C=C1)O)OCC Z425449648 [1,1,0,0,0,0|1,0,1]=4 172 B14R1.793 CCNCC1=CC(=C(C=C1)OC)OC Z89283372 [1,1,0,0,0,0|1,0,1]=4 173 B14R1.793 CNCCC1=CC(=C(C=C1)OC)OC Z316170364 [1,1,0,0,0,0|1,0,0]=3 174 B14R1.793 COC1=C(C=C(C=C1)/C=C/C=O)OC Z1251353086 [1,1,0,0,0,0|0,0,2]=4 175 B14R1.793 COC1=C(C=C(C=C1)CCC=O)OC Z1198182687 [1,1,0,0,0,0|0,0,0]=2 176 B14R1.793 COC1=C(C=C(C=C1)CCCN)OC Z336080030 [1,1,0,0,0,0|1,0,1]=4 177 B14R1.907 COC1=C(C=CC(=C1)/C=N/NC=O)O Z49645575 [1,1,0,0,0,0|1,0,1]=4 178 B14R1.3405 COC(=O)CC1=CC(=C(C=C1)O)OC Z1198150768 [1,1,0,0,0,0|1,0,1]=4 179 B14R1.74 COC1=CC(=CC=C1)C(C)CC(=O)O Z352782094 [1,1,0,0,0,0|1,0,0]=3 180 B14R1.75 COC1=CC(=CC=C1)CC(=O)C(=O)O Z271004522 [1,1,0,0,0,0|1,0,1]=4 181 B14R1.75 COC1=CC(=CC=C1)CC(N)C(=O)O Z317024998 [1,1,0,0,0,0|1,0,0]=3 182 B14R1.75 COC1=CC(=CC=C1)CC(O)C(=O)O Z1255373702 [1,1,0,0,0,0|1,0,0]=3 183 B14R1.77 CNC(=O)/C=C/C1=CC(=CC=C1)OC Z32016693 [1,1,0,0,0,0|0,0,2]=4 184 B14R1.77 CNC(=O)CNC1=CC(=CC=C1)OC Z104592160 [1,1,0,0,0,0|1,0,0]=3 185 B14R1.77 COC(=O)CCC1=CC(=CC=C1)CN Z3688848496 [1,1,0,0,0,0|2,0,0]=4 186 B14R1.77 COC1=CC(=CC=C1)CNC(=O)CCl Z57055793 [1,1,0,0,0,0|1,0,0]=3 187 B14R1.77 COC1=CC(=CC=C1)NCC(=O)NN Z56347266 [1,1,0,0,0,0|2,0,0]=4 188 B14R1.81 COC1=C(C(=CC=C1)CCC(=O)O)F Z1255357189 [1,1,0,0,0,0|1,0,0]=3 189 B14R1.376 COC1=CC(=CC(=C1)F)CNC(=O)C Z1570540144 [1,1,0,0,0,0|1,0,0]=3 190 B14R1.468 CCOC1=CC(=CC=C1)CCC(=O)O Z600433044 [1,1,0,0,0,0|1,0,0]=3 191 B14R1.468 CCOC1=NC=CC(=C1)CNC(=O)C Z422668110 [1,1,0,0,0,0|2,0,0]=4 192 B14R1.468 COCC1=CC(=CC=C1)CNC(=O)C Z423111062 [1,1,0,0,0,0|1,0,0]=3 193 B14R1.6355 CN(C)C1=CC(=CC=C1)CCC(=O)O Z1809367819 [1,1,0,0,0,0|2,0,0]=4 194 B14R1.881 COC1=C(C=C(C(=C1)CC(=O)O)F)O Z1416167707 [0,1,0,0,1,0|1,0,0]=3 195 B14R1.3651 COC1=C(C=C(C=C1)CC(=O)N)OC Z33546771 [0,1,0,0,1,0|1,0,0]=3 196 B14R1.3651 COC1=C(C=C(C=C1)CC(=O)O)OC Z56924495 [0,1,0,0,1,0|1,0,0]=3 197 B14R1.3651 COC1=C(C=C(C=C1)CC(=S)N)OC Z235363001 [0,1,0,0,1,0|1,1,0]=4 198 B14R1.3651 COC1=C(C=C(C=C1)NC(=O)C)OC Z30849291 [0,1,0,0,1,0|1,0,0]=3 199 B14R1.3651 COC1=C(C=C(C=C1)NC(=S)C)OC Z56757210 [0,1,0,0,1,0|1,1,0]=4 200 B16R1.4275 COC1=C(C=C(C=C1)CCCC(=O)O)OC Z336285962 [0,1,0,0,0,1|1,0,0]=3 201 B16R1.4275 COC1=C(C=C(C=C1)SCCC(=O)O)OC Z1238558898 [0,1,0,0,0,1|1,0,0]=3 202 B16R1.4708 C/N=C(\N)/NCCC1=CC(=C(C=C1)C)OC Z1324954037 [0,1,0,0,0,1|2,0,0]=4 203 B16R1.4708 CNC(=O)NCCC1=CC(=C(C=C1)C)OC Z1257966061 [0,1,0,0,0,1|1,0,0]=3 204 B16R1.12750 COCC1=C(C=CC(=C1)CNC(=O)CCl)F Z1562138780 [0,2,0,0,0,0|2,0,0]=4 205 B16R1.20040 C=C(C)CNC1=CC(=C(C=C1F)OC)OC Z1147535804 [0,2,0,0,0,0|2,0,0]=4 206 B16R1.4273 COC1=C(C=C(C=C1)C(N)CC(=O)O)OC Z56895737 [0,2,0,0,0,0|1,0,0]=3 207 B16R1.4273 COC1=C(C=C(C=C1)C(N)CN(C)C)OC Z1222283873 [0,2,0,0,0,0|2,0,0]=4 208 B16R1.4274 COC1=C(C=C(C=C1)CC(C)C(=O)O)OC Z1233159921 [0,2,0,0,0,0|1,0,0]=3 209 B16R1.4730 COC(=O)C(N)CC1=CC(=C(C=C1)O)OC Z3221821579 [0,2,0,0,0,0|0,0,0]=2 210 B16R1.4276 C=CC(=O)NCC1=CC(=C(C=C1)OC)OC Z440635106 [0,2,0,0,0,0|1,0,1]=4 211 B16R1.4276 CCC(=O)NCC1=CC(=C(C=C1)OC)OC Z26441138 [0,2,0,0,0,0|1,0,0]=3 212 B16R1.4276 CNC(=O)CCC1=CC(=C(C=C1)OC)OC Z30271261 [0,2,0,0,0,0|0,0,0]=2 213 B16R1.4276 COC(=O)/C=C/C1=CC(=C(C=C1)OC)OC Z18296037 [0,2,0,0,0,0|0,0,2]=4 214 B16R1.4276 COC1=C(C=C(C=C1)CNC(=O)CCl)OC Z56891246 [0,2,0,0,0,0|1,0,0]=3 215 B16R1.15083 COC1=C(C=CC(=C1)COC(=O)CSC)C Z1255169796 [0,2,0,0,0,0|2,0,0]=4 216 B14R2.7933 O=C(O)C1CC2=C1C=C(C(=C2)F)O Z4959121917 [1,0,0,1,0,0|2,0,0]=4 217 B14R2.8239 NC1=C(C=C2NC(=O)CCC2=C1)O Z425351774 [1,0,0,1,0,0|2,0,0]=4 218 B14R2.991 CCNCC1=CC2=C(C=C1)OCO2 Z57327177 [1,0,0,1,0,0|1,0,1]=4 219 B14R2.991 CNCCC1=CC2=C(C=C1)OCO2 Z2855996247 [1,0,0,1,0,0|1,0,0]=3 220 B14R2.991 O=C/C=C/C1=CC2=C(C=C1)OCO2 Z1251353395 [1,0,0,1,0,0|0,0,2]=4 221 B14R2.991 O=CCCC1=CC2=C(C=C1)OCC2 Z1198182674 [1,0,0,1,0,0|1,0,0]=3 222 B14R2.1128 COC1=C(C=C2CCCCC2=C1)O Z3241899355 [1,0,0,1,0,0|0,0,1]=3 223 B14R2.1128 COC1=C(C=C2CNCCC2=C1)Br Z1416170073 [1,0,0,1,0,0|2,0,0]=4 224 B14R2.1128 COC1=C(C=C2CNCCC2=C1)C Z3067540653 [1,0,0,1,0,0|2,0,0]=4 225 B14R2.1416 COC1=C(C=C2C(=O)CCC2=C1)Br Z1269221410 [1,0,0,1,0,0|1,0,0]=3 226 B14R2.1416 COC1=C(C=C2C(=O)CCC2=C1)O Z1198181226 [1,0,0,1,0,0|0,0,0]=2 227 B14R2.130 COC1=CC(=CC=C1)C2CC(=O)C2 Z444347824 [1,0,0,1,0,0|0,0,0]=2 228 B14R2.130 COC1=CC(=CC=C1)C2CC(C2)N Z1160899488 [1,0,0,1,0,0|1,0,1]=4 229 B14R2.2332 COC1=CC2=C(C=C1)CC(CC2)O Z1198164344 [1,0,0,1,0,0|0,0,2]=4 230 B14R2.2332 COC1=CC2=C(C=C1)NC(=O)CC2 Z1197664819 [1,0,0,1,0,0|1,0,0]=3 231 B14R2.2332 COC1=CC2=C(C=C1)NC(=O)CN2 Z1255425647 [1,0,0,1,0,0|2,0,0]=4 232 B14R2.2332 COC1=CC2=C(C=C1)NC(=O)CO2 Z1198168486 [1,0,0,1,0,0|2,0,0]=4 233 B14R2.1008 CC(=O)NC1=CC2=C(C=C1)OCO2 Z27647423 [0,0,0,1,1,0|1,0,0]=3 234 B14R2.1008 CC(=S)NC1=CC2=C(C=C1)OCO2 Z56764111 [0,0,0,1,1,0|1,1,0]=4 235 B14R2.1008 C[C@@H](O)CC1=CC2=C(C=C1)OCO2 Z1198314644 [0,0,0,1,1,0|0,0,2]=4 236 B14R2.1008 C[C@H](O)CC1=CC2=C(C=C1)OCO2 Z1650168507 [0,0,0,1,1,0|0,0,2]=4 237 B14R2.1008 NC(=O)NC1=CC2=C(C=C1)OCO2 Z107732962 [0,0,0,1,1,0|2,0,0]=4 238 B14R2.1008 O=C(O)CC1=CC2=C(C=C1)OCC2 Z220565334 [0,0,0,1,1,0|2,0,0]=4 239 B14R2.1008 O=C(O)CC1=CC2=C(C=C1)OCO2 Z274782846 [0,0,0,1,1,0|1,0,0]=3 240 B16R2.27160 C[C@H](O)CNCC1=CC2=C(C=C1)OCO2 Z1889787519 [0,0,0,1,0,1|0,0,2]=4 241 B16R2.27160 NC(=O)CSCC1=CC2=C(C=C1)OCO2 Z45359425 [0,0,0,1,0,1|1,0,0]=3 242 B16R2.27160 O=C(O)CNCC1=CC2=C(C=C1)OCO2 Z4873983046 [0,0,0,1,0,1|1,0,0]=3 243 B16R2.27160 O=C(O)COCC1=CC2=C(C=C1)OCO2 Z316259260 [0,0,0,1,0,1|1,0,0]=3 244 B16R2.477 CC(=O)CCC1=CC2=C(C=C1)OCCO2 Z1083021662 [0,1,0,1,0,0|0,0,0]=2 245 B16R2.477 NC(=O)CSC1=CC2=C(C=C1)OCCO2 Z25044714 [0,1,0,1,0,0|2,0,0]=4 246 B16R2.477 O=C(O)CCC1=CC2=C(C=C1)CCOC2 Z2732880505 [0,1,0,1,0,0|2,0,0]=4 247 B16R2.477 O=C(O)CCC1=CC2=C(C=C1)OCCO2 Z178955386 [0,1,0,1,0,0|1,0,0]=3 248 B16R2.477 O=C(O)CSC1=CC2=C(C=C1)OCCO2 Z55903767 [0,1,0,1,0,0|2,0,0]=4 249 B16R2.82843 NS(=O)(=O)CCC1=CC2=C(C=C1)OCO2 Z4450275539 [0,1,0,1,0,0|2,0,0]=4 250 B16R2.11587 N[C@@H](CC(=O)O)C1=CC2=C(C=C1)OCO2 Z1270400001 [0,1,0,1,0,0|1,0,0]=3 251 B16R2.6257 NC(CC1=CC2=C(C=C1)OCO2)C(=O)O Z381429884 [0,1,0,1,0,0|1,0,0]=3 252 B16R2.1357 C=CC(=O)NCC1=CC2=C(C=C1)OCO2 Z276665414 [0,1,0,1,0,0|1,0,1]=4 253 B16R2.1357 CC(CCC1=CC2=C(C=C1)OCO2)NN Z2286637838 [0,1,0,1,0,0|1,0,1]=4 254 B16R2.1357 CCC(=O)NCC1=CC2=C(C=C1)OCO2 Z27695333 [0,1,0,1,0,0|1,0,0]=3 255 B16R2.1357 CNC(=O)/C=C/C1=CC2=C(C=C1)OCO2 Z32016815 [0,1,0,1,0,0|0,0,2]=4 256 B16R2.1357 O=C(CCl)NCC1=CC2=C(C=C1)OCO2 Z56889407 [0,1,0,1,0,0|1,0,0]=3 257 B16R2.1461 COC1=C(C=C2CC(=O)OCC2=C1)OC Z1509585501 [0,1,0,1,0,0|1,0,0]=3 258 B16R2.6392 COC1=C(C=C(C=C1)C2CC(C2)O)OC Z1383482815 [0,1,0,1,0,0|0,0,2]=4 259 B12R1.19 CC(=O)CC1=CC(=C(C=C1)Br)F Z1269186824 [1,0,0,0,1,0|2,0,0]=4 260 B12R1.19 CC(=O)CC1=CC(=C(C=C1)O)Br Z1269192817 [1,0,0,0,1,0|1,0,0]=3 261 B12R1.19 CC(=O)NC1=CC(=C(C=C1)Br)C Z30826447 [1,0,0,0,1,0|2,0,0]=4 262 B12R1.19 CC(=O)NC1=CC(=C(C=C1)O)F Z1216844087 [1,0,0,0,1,0|2,0,0]=4 263 B12R1.19 CC(N)CC1=CC(=C(C=C1)O)O Z1891776857 [1,0,0,0,1,0|1,0,1]=4 264 B12R1.19 CC1=C(C=C(C=C1)CC(=O)O)C Z56923286 [1,0,0,0,1,0|2,0,0]=4 265 B12R1.19 CC1=C(C=C(C=C1)CC(=O)O)O Z1198166108 [1,0,0,0,1,0|2,0,0]=4 266 B12R1.19 CC1=C(C=CC(=C1)CC(=O)O)Br Z1269233833 [1,0,0,0,1,0|2,0,0]=4 267 B12R1.19 CC1=C(C=CC(=C1)CC(=O)O)O Z1198169209 [1,0,0,0,1,0|1,0,0]=3 268 B12R1.19 O=C(O)CC1=CC(=C(C=C1)O)Cl Z1205411134 [1,0,0,0,1,0|2,0,0]=4 269 B12R1.19 O=C(O)CC1=CC(=C(C=C1)O)F Z1255445925 [1,0,0,0,1,0|2,0,0]=4 270 B12R1.19 O=C(O)CC1=CC(=C(C=C1)O)O Z1255438427 [1,0,0,0,1,0|1,0,0]=3 271 B12R1.438 CCC1=CC(=CC=C1)CC(=O)O Z1198264513 [1,0,0,0,1,0|2,0,0]=4 272 B12R1.438 COC1=CC(=CC=C1)CC(=N)N Z951367838 [1,0,0,0,1,0|2,0,0]=4 273 B12R1.438 COC1=CC(=CC=C1)CC(=O)N Z33547068 [1,0,0,0,1,0|1,0,0]=3 274 B12R1.438 COC1=CC(=CC=C1)CC(=O)O Z104478986 [1,0,0,0,1,0|1,0,0]=3 275 B12R1.438 COC1=CC(=CC=C1)NC(=O)C Z27795266 [1,0,0,0,1,0|1,0,0]=3 276 B12R1.438 COC1=NC=CC(=C1)CC(=O)O Z2186882871 [1,0,0,0,1,0|2,0,0]=4 277 B12R1.56 CC(=O)C1=CC(=C(C=C1)O)C#N Z1198160291 [0,0,0,0,2,0|2,0,0]=4 278 B12R1.56 CC(=O)C1=CC(=C(C=C1)O)CCl Z56896221 [0,0,0,0,2,0|2,0,0]=4 279 B12R1.56 CCC1=C(C=CC(=C1)C(=O)O)O Z1255420244 [0,0,0,0,2,0|2,0,0]=4 280 B12R1.56 COC1=C(C=CC(=C1)C(=O)C)Cl Z1198331246 [0,0,0,0,2,0|1,0,0]=3 281 B12R1.56 COC1=C(C=CC(=C1)C(=O)C)F Z1201620068 [0,0,0,0,2,0|1,0,0]=3 282 B12R1.56 COC1=C(C=CC(=C1)C(=O)C)O Z57234303 [0,0,0,0,2,0|0,0,0]=2 283 B12R1.56 COC1=C(C=CC(=C1)C(=O)N)F Z1198168690 [0,0,0,0,2,0|2,0,0]=4 284 B12R1.56 COC1=C(C=CC(=C1)C(=O)N)N Z1126160967 [0,0,0,0,2,0|2,0,0]=4 285 B12R1.56 COC1=C(C=CC(=C1)C(=O)O)C Z104511172 [0,0,0,0,2,0|2,0,0]=4 286 B12R1.56 COC1=C(C=CC(=C1)C(=O)O)Cl Z1741972864 [0,0,0,0,2,0|2,0,0]=4 287 B12R1.56 COC1=C(C=CC(=C1)C(=O)O)F Z1201620067 [0,0,0,0,2,0|2,0,0]=4 288 B12R1.56 COC1=C(C=CC(=C1)C(=O)O)I Z1269139629 [0,0,0,0,2,0|2,0,0]=4 289 B12R1.56 COC1=C(C=CC(=C1)C(=O)O)O Z381356666 [0,0,0,0,2,0|1,0,0]=3 290 B12R1.56 COC1=C(C=CC(=C1)[N+](=O)[O-])O Z415740558 [0,0,0,0,2,0|2,0,0]=4 291 B12R1.56 COC1=C(N=CC(=C1)C(=O)O)O Z1201626480 [0,0,0,0,2,0|2,0,0]=4 292 B14R1.76 COC1=CC(=CC=C1)COCC(=O)O Z317026574 [1,0,0,0,0,1|1,0,0]=3 293 B14R1.76 COC1=CC(=CC=C1)NCCC(=O)O Z359506442 [1,0,0,0,0,1|1,0,0]=3 294 B14R1.76 COC1=CC(=CC=C1)OCCC(=O)O Z57772229 [1,0,0,0,0,1|1,0,0]=3 295 B14R1.76 COC1=CC(=CC=C1)SCCN(C)C Z335999684 [1,0,0,0,0,1|2,0,0]=4 296 B14R1.76 COC1=NC=CC(=C1)COCC(=O)O Z2680630293 [1,0,0,0,0,1|2,0,0]=4 297 B14R1.1600 COC1=C(C=CC(=C1)Br)CCC(=O)O Z1269243933 [0,0,0,0,1,1|2,0,0]=4