0 B11R1.166 CC(=O)C1=C(C=C(C=C1)Br)Br Z56886263 [0,0,0,0,0,0|3,0,1]=4 1 B11R1.166 CC(=O)C1=C(C=C(C=C1)Br)F Z1269134115 [0,0,0,0,0,0|3,0,1]=4 2 B11R1.166 CC(=O)C1=C(C=C(C=C1)Br)N Z906123248 [0,0,0,0,0,0|3,0,1]=4 3 B11R1.166 CC(=O)C1=C(C=C(C=C1)Br)O Z57790679 [0,0,0,0,0,0|3,0,1]=4 4 B11R1.166 CC(=O)C1=C(C=C(C=C1)C)O Z169857138 [0,0,0,0,0,0|3,0,1]=4 5 B11R1.166 CC(=O)C1=C(C=C(C=C1)Cl)Cl Z104477446 [0,0,0,0,0,0|3,0,1]=4 6 B11R1.166 CC(=O)C1=C(C=C(C=C1)Cl)O Z1255487749 [0,0,0,0,0,0|3,0,1]=4 7 B11R1.166 CC(=O)C1=C(C=C(C=C1)F)Br Z1269135621 [0,0,0,0,0,0|3,0,1]=4 8 B11R1.166 CC(=O)C1=C(C=C(C=C1)F)C Z1020765764 [0,0,0,0,0,0|2,0,1]=3 9 B11R1.166 CC(=O)C1=C(C=C(C=C1)F)Cl Z107334162 [0,0,0,0,0,0|3,0,1]=4 10 B11R1.166 CC(=O)C1=C(C=C(C=C1)F)F Z57046231 [0,0,0,0,0,0|3,0,1]=4 11 B11R1.166 CC(=O)C1=C(C=C(C=C1)F)O Z1080542132 [0,0,0,0,0,0|3,0,1]=4 12 B11R1.166 CC(=O)C1=C(C=C(C=C1)I)O Z1269204587 [0,0,0,0,0,0|3,0,1]=4 13 B11R1.166 CC(=O)C1=C(C=C(C=C1)N)C Z1198307593 [0,0,0,0,0,0|2,0,1]=3 14 B11R1.166 CC(=O)C1=C(C=C(C=C1)N)Cl Z1206884651 [0,0,0,0,0,0|3,0,1]=4 15 B11R1.166 CC(=O)C1=C(C=C(C=C1)O)C Z1255386683 [0,0,0,0,0,0|1,0,1]=2 16 B11R1.166 CC(=O)C1=C(C=C(C=C1)O)Cl Z1222422341 [0,0,0,0,0,0|2,0,1]=3 17 B11R1.166 CC(=O)C1=C(C=C(C=C1)O)F Z1123826135 [0,0,0,0,0,0|2,0,1]=3 18 B11R1.166 CC(=O)C1=C(C=C(C=C1)O)O Z57101026 [0,0,0,0,0,0|2,0,1]=3 19 B11R1.166 CC(=O)C1=C(C=C(C=N1)Br)C Z1269198120 [0,0,0,0,0,0|3,0,1]=4 20 B11R1.166 CC(=O)C1=C(N=C(C=C1)C)C Z316174650 [0,0,0,0,0,0|3,0,1]=4 21 B11R1.166 CC(C)C1=C(C=C(C=C1)Br)F Z1486025406 [0,0,0,0,0,0|2,0,0]=2 22 B11R1.166 CC(C)C1=C(C=C(C=C1)F)N Z4697442277 [0,0,0,0,0,0|2,0,0]=2 23 B11R1.166 CC(C)C1=C(C=C(C=C1)N)F Z1262668944 [0,0,0,0,0,0|2,0,0]=2 24 B11R1.166 CC(C)C1=C(C=C(C=C1)N)N Z1198148869 [0,0,0,0,0,0|2,0,0]=2 25 B11R1.166 CC(C)C1=C(N=C(N=C1)Cl)Cl Z1501486559 [0,0,0,0,0,0|4,0,0]=4 26 B11R1.166 CC(C)C1=CN=C(NC1=O)S Z871775704 [0,0,0,0,0,0|3,1,0]=4 27 B11R1.166 CC(C)C1=CNC(=O)NC1=O Z1255461612 [0,0,0,0,0,0|3,0,1]=4 28 B11R1.166 CC(N)C1=C(C=C(C=C1)Br)F Z1269138850 [0,0,0,0,0,0|3,0,0]=3 29 B11R1.166 CC(N)C1=C(C=C(C=C1)Cl)Cl Z55928863 [0,0,0,0,0,0|3,0,0]=3 30 B11R1.166 CC(N)C1=C(C=C(C=C1)Cl)F Z4502817384 [0,0,0,0,0,0|3,0,0]=3 31 B11R1.166 CC(N)C1=C(C=C(C=C1)F)Cl Z446021018 [0,0,0,0,0,0|3,0,0]=3 32 B11R1.166 CC(N)C1=C(C=C(C=C1)F)F Z56347428 [0,0,0,0,0,0|3,0,0]=3 33 B11R1.166 CC(N)C1=C(C=C(C=N1)Cl)Cl Z5261443325 [0,0,0,0,0,0|4,0,0]=4 34 B11R1.166 CC(O)C1=C(C=C(C=C1)Br)F Z1171210737 [0,0,0,0,0,0|3,0,0]=3 35 B11R1.166 CC(O)C1=C(C=C(C=C1)Cl)Cl Z335245158 [0,0,0,0,0,0|3,0,0]=3 36 B11R1.166 CC(O)C1=C(C=C(C=C1)F)F Z228586308 [0,0,0,0,0,0|3,0,0]=3 37 B11R1.166 CC1=C(C=CC(=C1)Br)C(=O)O Z443357522 [0,0,0,0,0,0|3,0,1]=4 38 B11R1.166 CC1=C(C=CC(=C1)Br)C(C)C Z1861997013 [0,0,0,0,0,0|1,0,0]=1 39 B11R1.166 CC1=C(C=CC(=C1)Cl)B(O)O Z401449852 [0,0,0,0,0,0|4,0,0]=4 40 B11R1.166 CC1=C(C=CC(=C1)Cl)C(=O)O Z1203161814 [0,0,0,0,0,0|3,0,1]=4 41 B11R1.166 CC1=C(C=CC(=C1)F)B(O)O Z381540978 [0,0,0,0,0,0|4,0,0]=4 42 B11R1.166 CC1=C(C=CC(=C1)F)C(=O)O Z732710370 [0,0,0,0,0,0|3,0,1]=4 43 B11R1.166 CC1=C(C=CC(=C1)N)C(=O)N Z877632726 [0,0,0,0,0,0|3,0,1]=4 44 B11R1.166 CC1=C(C=CC(=C1)N)C(=O)O Z877640950 [0,0,0,0,0,0|3,0,1]=4 45 B11R1.166 CC1=C(C=CC(=C1)N)[N+](=O)[O-] Z415730040 [0,0,0,0,0,0|4,0,0]=4 46 B11R1.166 CC1=C(C=CC(=C1)O)C(=O)N Z1255467737 [0,0,0,0,0,0|2,0,1]=3 47 B11R1.166 CC1=C(C=CC(=C1)O)C(=O)O Z1255361025 [0,0,0,0,0,0|2,0,1]=3 48 B11R1.166 CC1=C(C=CC(=C1)O)C(C)C Z104476618 [0,0,0,0,0,0|0,0,0]=0 49 B11R1.166 CC1=C(C=CC(=C1)O)[N+](=O)[O-] Z85922875 [0,0,0,0,0,0|3,0,0]=3 50 B11R1.166 CC1=C(C=NC(=C1)N)C(F)F Z1725950455 [0,0,0,0,0,0|4,0,0]=4 51 B11R1.166 CC1=C(C=NC(=C1)O)B(O)O Z1255504756 [0,0,0,0,0,0|4,0,0]=4 52 B11R1.166 CC1=C(N=CC(=C1)N)C(F)F Z1726039077 [0,0,0,0,0,0|4,0,0]=4 53 B11R1.166 CC1=CC(=C(C=C1)B(O)O)C Z336080238 [0,0,0,0,0,0|4,0,0]=4 54 B11R1.166 CC1=CC(=C(C=C1)C(=O)O)C Z104478236 [0,0,0,0,0,0|3,0,1]=4 55 B11R1.166 CC1=CC(=C(C=C1)C(=S)N)C Z85918833 [0,0,0,0,0,0|3,0,1]=4 56 B11R1.166 CC1=CC(=C(C=C1)C(C)C)O Z57127464 [0,0,0,0,0,0|2,0,0]=2 57 B11R1.166 CC1=CC(=C(C=C1)[C@@H](C)O)C Z360055782 [0,0,0,0,0,0|2,0,0]=2 58 B11R1.166 CC1=CC(=C(C=C1)[C@H](C)N)C Z1217910494 [0,0,0,0,0,0|2,0,0]=2 59 B11R1.166 CC1=CC(=C(C=C1)[C@H](C)O)C Z360055778 [0,0,0,0,0,0|2,0,0]=2 60 B11R1.166 CN(C)C1=C(C=C(C=C1)Cl)N Z90662154 [0,0,0,0,0,0|3,0,0]=3 61 B11R1.166 CN(C)C1=C(C=C(C=C1)N)Cl Z270758712 [0,0,0,0,0,0|3,0,0]=3 62 B11R1.166 CS(=O)C1=C(C=C(C=C1)N)F Z1262251409 [0,0,0,0,0,0|4,0,0]=4 63 B11R1.166 C[C@@H](N)C1=C(C=C(C=C1)Cl)Cl Z1889710318 [0,0,0,0,0,0|3,0,0]=3 64 B11R1.166 C[C@@H](N)C1=C(C=C(C=C1)F)Cl Z360056252 [0,0,0,0,0,0|3,0,0]=3 65 B11R1.166 C[C@@H](N)C1=C(C=C(C=C1)F)F Z1366975561 [0,0,0,0,0,0|3,0,0]=3 66 B11R1.166 C[C@@H](O)C1=C(C=C(C=C1)F)Cl Z360056250 [0,0,0,0,0,0|3,0,0]=3 67 B11R1.166 C[C@@H](O)C1=C(C=C(C=C1)F)F Z360055930 [0,0,0,0,0,0|3,0,0]=3 68 B11R1.166 C[C@H](N)C1=C(C=C(C=C1)F)F Z1366975537 [0,0,0,0,0,0|3,0,0]=3 69 B11R1.166 C[C@H](O)C1=C(C=C(C=C1)F)Cl Z360056244 [0,0,0,0,0,0|3,0,0]=3 70 B11R1.166 C[C@H](O)C1=C(C=C(C=C1)F)F Z360055924 [0,0,0,0,0,0|3,0,0]=3 71 B11R1.166 NC1=CC(=C(C=C1)C(F)F)F Z4989950262 [0,0,0,0,0,0|4,0,0]=4 72 B11R1.166 O=C(O)C1=C(C=C(C=C1)O)F Z1201620915 [0,0,0,0,0,0|3,0,1]=4 73 B11R1.166 O=C(O)C1=C(C=C(C=C1)O)O Z104502292 [0,0,0,0,0,0|3,0,1]=4 74 B11R1.166 O=[N+]([O-])C1=C(C=C(C=C1)O)Cl Z859818112 [0,0,0,0,0,0|4,0,0]=4 75 B11R1.166 O=[N+]([O-])C1=C(C=C(C=C1)O)F Z825783030 [0,0,0,0,0,0|4,0,0]=4 76 B11R1.166 O=[N+]([O-])C1=C(C=C(C=C1)O)O Z336080410 [0,0,0,0,0,0|4,0,0]=4 77 B10R1.13 CC(=O)C1=CC=C(C=C1)Br Z57127459 [1,0,0,0,0,0|2,0,1]=4 78 B10R1.13 CC(=O)C1=CC=C(C=C1)C Z57127458 [1,0,0,0,0,0|2,0,1]=4 79 B10R1.13 CC(=O)C1=CC=C(C=C1)Cl Z57127462 [1,0,0,0,0,0|2,0,1]=4 80 B10R1.13 CC(=O)C1=CC=C(C=C1)F Z57127466 [1,0,0,0,0,0|2,0,1]=4 81 B10R1.13 CC(=O)C1=CC=C(C=C1)I Z57073725 [1,0,0,0,0,0|2,0,1]=4 82 B10R1.13 CC(=O)C1=CC=C(C=C1)N Z57127377 [1,0,0,0,0,0|2,0,1]=4 83 B10R1.13 CC(=O)C1=CC=C(C=C1)O Z57040434 [1,0,0,0,0,0|1,0,1]=3 84 B10R1.13 CC(C)C1=CC=C(C=C1)Br Z732229746 [1,0,0,0,0,0|1,0,0]=2 85 B10R1.13 CC(C)C1=CC=C(C=C1)Cl Z1255372793 [1,0,0,0,0,0|1,0,0]=2 86 B10R1.13 CC(C)C1=CC=C(C=C1)N Z104476320 [1,0,0,0,0,0|1,0,0]=2 87 B10R1.13 CC(C)C1=CC=C(C=C1)O Z56347200 [1,0,0,0,0,0|0,0,0]=1 88 B10R1.13 CC(C)C1=CN=C(N=C1)N Z1137168328 [1,0,0,0,0,0|3,0,0]=4 89 B10R1.13 CC(C)C1=NC=C(C=N1)N Z381402570 [1,0,0,0,0,0|3,0,0]=4 90 B10R1.13 CC(C)C1=NN=C(C=C1)Cl Z432063460 [1,0,0,0,0,0|3,0,0]=4 91 B10R1.13 CC(N)C1=CC=C(C=C1)Br Z56347162 [1,0,0,0,0,0|2,0,0]=3 92 B10R1.13 CC(N)C1=CC=C(C=C1)Cl Z56347112 [1,0,0,0,0,0|2,0,0]=3 93 B10R1.13 CC(N)C1=CC=C(C=C1)O Z1741968989 [1,0,0,0,0,0|1,0,0]=2 94 B10R1.13 CC(N)C1=CN=C(C=C1)O Z4423361180 [1,0,0,0,0,0|2,0,0]=3 95 B10R1.13 CC(O)C1=CC=C(C=C1)Br Z335244904 [1,0,0,0,0,0|2,0,0]=3 96 B10R1.13 CC(O)C1=CC=C(C=C1)Cl Z104479788 [1,0,0,0,0,0|2,0,0]=3 97 B10R1.13 CC(O)C1=CC=C(C=C1)F Z56347219 [1,0,0,0,0,0|2,0,0]=3 98 B10R1.13 CC(O)C1=CC=C(C=C1)I Z228586282 [1,0,0,0,0,0|2,0,0]=3 99 B10R1.13 CC(O)C1=NC=C(C=C1)F Z1255406174 [1,0,0,0,0,0|3,0,0]=4 100 B10R1.13 CC1=CC=C(C=C1)C(C)C Z104497772 [1,0,0,0,0,0|1,0,0]=2 101 B10R1.13 CC1=CC=C(C=C1)[C@@H](C)O Z1127664396 [1,0,0,0,0,0|2,0,0]=3 102 B10R1.13 CC1=CC=C(C=C1)[C@H](C)O Z1127664278 [1,0,0,0,0,0|2,0,0]=3 103 B10R1.13 CN(C)C1=CC=C(C=C1)O Z137981254 [1,0,0,0,0,0|1,0,0]=2 104 B10R1.13 CN(C)C1=NC=C(C=C1)Br Z808607100 [1,0,0,0,0,0|3,0,0]=4 105 B10R1.13 CS(=O)C1=CC=C(C=C1)N Z609944508 [1,0,0,0,0,0|3,0,0]=4 106 B10R1.13 C[C@@H](O)C1=CC=C(C=C1)Br Z850973968 [1,0,0,0,0,0|2,0,0]=3 107 B10R1.13 C[C@@H](O)C1=CC=C(C=C1)I Z360055808 [1,0,0,0,0,0|2,0,0]=3 108 B10R1.13 C[C@H](N)C1=CC=C(C=C1)Br Z1869802525 [1,0,0,0,0,0|2,0,0]=3 109 B10R1.13 C[C@H](N)C1=CC=C(C=C1)I Z1696091699 [1,0,0,0,0,0|2,0,0]=3 110 B10R1.13 C[C@H](N)C1=CC=C(C=C1)O Z3183546879 [1,0,0,0,0,0|1,0,0]=2 111 B10R1.13 C[C@H](N)C1=NC=C(C=C1)Cl Z1753033020 [1,0,0,0,0,0|3,0,0]=4 112 B10R1.13 C[C@H](O)C1=CC=C(C=C1)Br Z850973970 [1,0,0,0,0,0|2,0,0]=3 113 B10R1.13 C[C@H](O)C1=CC=C(C=C1)I Z360055806 [1,0,0,0,0,0|2,0,0]=3 114 B10R1.13 N=C(N)C1=CC=C(C=C1)O Z1262398570 [1,0,0,0,0,0|2,0,1]=4 115 B10R1.13 NC(=O)C1=CC=C(C=C1)O Z104502228 [1,0,0,0,0,0|2,0,1]=4 116 B10R1.13 NC(=S)C1=CC=C(C=C1)O Z90124534 [1,0,0,0,0,0|2,0,1]=4 117 B10R1.13 NC1=CC=C(C=C1)C(F)F Z2900188029 [1,0,0,0,0,0|3,0,0]=4 118 B10R1.13 O=C(O)C1=CC=C(C=C1)O Z104498098 [1,0,0,0,0,0|2,0,1]=4 119 B10R1.13 O=[N+]([O-])C1=CC=C(C=C1)O Z57127483 [1,0,0,0,0,0|3,0,0]=4 120 B10R1.13 OB(O)C1=CC=C(C=C1)O Z336080006 [1,0,0,0,0,0|3,0,0]=4 121 B10R1.13 OC1=NC=C(C=C1)C(F)F Z1726130896 [1,0,0,0,0,0|3,0,0]=4 122 B10R1.25 CC1=C(C=CC(=C1)Br)C=O Z1079442722 [1,0,0,0,0,0|2,0,1]=4 123 B10R1.25 CC1=C(C=CC(=C1)Br)CN Z1266854915 [1,0,0,0,0,0|2,0,0]=3 124 B10R1.25 CC1=C(C=CC(=C1)Br)CO Z444299166 [1,0,0,0,0,0|2,0,0]=3 125 B10R1.25 CC1=C(C=CC(=C1)Cl)C=O Z1201621733 [1,0,0,0,0,0|2,0,1]=4 126 B10R1.25 CC1=C(C=CC(=C1)Cl)CN Z4862693322 [1,0,0,0,0,0|2,0,0]=3 127 B10R1.25 CC1=C(C=CC(=C1)F)C#N Z1191845296 [1,0,0,0,0,0|2,0,1]=4 128 B10R1.25 CC1=C(C=CC(=C1)F)C=O Z853084730 [1,0,0,0,0,0|2,0,1]=4 129 B10R1.25 CC1=C(C=CC(=C1)F)CN Z4450359823 [1,0,0,0,0,0|2,0,0]=3 130 B10R1.25 CC1=C(C=CC(=C1)F)CO Z959356974 [1,0,0,0,0,0|2,0,0]=3 131 B10R1.25 CC1=C(C=CC(=C1)I)C#N Z1269214409 [1,0,0,0,0,0|2,0,1]=4 132 B10R1.25 CC1=C(C=CC(=C1)N)CN Z2574928353 [1,0,0,0,0,0|2,0,0]=3 133 B10R1.25 CC1=C(C=CC(=C1)O)C#N Z1255452759 [1,0,0,0,0,0|1,0,1]=3 134 B10R1.25 CC1=C(C=CC(=C1)O)C=O Z1161074806 [1,0,0,0,0,0|1,0,1]=3 135 B10R1.25 CC1=C(C=CC(=N1)Cl)CO Z1255459281 [1,0,0,0,0,0|3,0,0]=4 136 B10R1.25 CC1=C(C=CC(=N1)O)C#N Z1198261701 [1,0,0,0,0,0|2,0,1]=4 137 B10R1.25 CC1=C(C=NC(=C1)O)C=O Z1486001188 [1,0,0,0,0,0|2,0,1]=4 138 B10R1.25 CC1=C(N=CC(=C1)Br)CO Z1269233464 [1,0,0,0,0,0|3,0,0]=4 139 B10R1.25 CC1=CC(=C(C=C1)C=O)C Z104479608 [1,0,0,0,0,0|2,0,1]=4 140 B10R1.25 CC1=CC(=C(C=C1)CN)C Z239626330 [1,0,0,0,0,0|2,0,0]=3 141 B10R1.25 CC1=CC(=C(C=C1)CN)F Z3071128846 [1,0,0,0,0,0|3,0,0]=4 142 B10R1.25 CC1=CC(=C(C=C1)CN)N Z5524803288 [1,0,0,0,0,0|3,0,0]=4 143 B10R1.25 CC1=CC(=C(C=C1)CN)O Z4525848236 [1,0,0,0,0,0|3,0,0]=4 144 B10R1.25 CC1=CC(=C(C=C1)CO)C Z335244716 [1,0,0,0,0,0|2,0,0]=3 145 B10R1.25 CC1=CC(=C(C=C1)CO)Cl Z1255382519 [1,0,0,0,0,0|3,0,0]=4 146 B10R1.25 CC1=CC(=C(C=C1)CO)N Z1198176996 [1,0,0,0,0,0|3,0,0]=4 147 B10R1.25 CC1=CC(=C(C=C1)NN)C Z56961369 [1,0,0,0,0,0|3,0,0]=4 148 B10R1.25 CC1=CC(=NC=C1CN)C Z2255111767 [1,0,0,0,0,0|3,0,0]=4 149 B10R1.25 CCC1=C(C=C(C=C1)Br)Cl Z1551924119 [1,0,0,0,0,0|2,0,0]=3 150 B10R1.25 CCC1=C(C=C(C=C1)C)O Z1198181015 [1,0,0,0,0,0|2,0,0]=3 151 B10R1.25 CCC1=C(C=C(C=C1)Cl)Cl Z1862006036 [1,0,0,0,0,0|2,0,0]=3 152 B10R1.25 CCC1=C(C=C(C=C1)F)N Z4670692131 [1,0,0,0,0,0|2,0,0]=3 153 B10R1.25 CCC1=C(C=C(C=C1)N)F Z1203583183 [1,0,0,0,0,0|2,0,0]=3 154 B10R1.25 CCC1=C(C=C(C=C1)N)I Z4120967362 [1,0,0,0,0,0|2,0,0]=3 155 B10R1.25 CCC1=C(C=C(C=C1)O)O Z104499414 [1,0,0,0,0,0|1,0,0]=2 156 B10R1.25 CCC1=C(C=C(N=C1)C)N Z1198157196 [1,0,0,0,0,0|3,0,0]=4 157 B10R1.25 CCC1=C(N=C(C=C1)C)N Z1201619216 [1,0,0,0,0,0|3,0,0]=4 158 B10R1.25 CNC1=C(C=C(C=C1)Br)C Z335260018 [1,0,0,0,0,0|2,0,0]=3 159 B10R1.25 CNC1=C(C=C(C=C1)Br)Cl Z391885374 [1,0,0,0,0,0|3,0,0]=4 160 B10R1.25 CNC1=C(C=C(C=C1)Br)F Z803129926 [1,0,0,0,0,0|3,0,0]=4 161 B10R1.25 CNC1=C(C=C(C=C1)Br)N Z359511404 [1,0,0,0,0,0|3,0,0]=4 162 B10R1.25 CNC1=C(C=C(C=C1)C)Br Z335255150 [1,0,0,0,0,0|3,0,0]=4 163 B10R1.25 CNC1=C(C=C(C=C1)C)C Z335249338 [1,0,0,0,0,0|2,0,0]=3 164 B10R1.25 CNC1=C(C=C(C=C1)C)F Z2289768913 [1,0,0,0,0,0|3,0,0]=4 165 B10R1.25 CNC1=C(C=C(C=C1)C)N Z394648996 [1,0,0,0,0,0|3,0,0]=4 166 B10R1.25 CNC1=C(C=C(C=C1)Cl)F Z1966571852 [1,0,0,0,0,0|3,0,0]=4 167 B10R1.25 CNC1=C(C=C(C=C1)Cl)I Z4968144357 [1,0,0,0,0,0|3,0,0]=4 168 B10R1.25 CNC1=C(C=C(C=C1)Cl)N Z359511424 [1,0,0,0,0,0|3,0,0]=4 169 B10R1.25 CNC1=C(C=C(C=C1)F)Cl Z4102405978 [1,0,0,0,0,0|3,0,0]=4 170 B10R1.25 CNC1=C(C=C(C=C1)F)I Z3476924845 [1,0,0,0,0,0|3,0,0]=4 171 B10R1.25 CNC1=C(C=C(C=C1)F)N Z359511402 [1,0,0,0,0,0|3,0,0]=4 172 B10R1.25 CNC1=C(C=C(C=C1)N)C Z385462228 [1,0,0,0,0,0|2,0,0]=3 173 B10R1.25 CNC1=C(C=C(C=C1)O)C Z2740415969 [1,0,0,0,0,0|1,0,0]=2 174 B10R1.25 COC1=C(C=C(C=C1)Br)F Z54183592 [1,0,0,0,0,0|3,0,0]=4 175 B10R1.25 COC1=C(C=C(C=C1)Br)N Z330803600 [1,0,0,0,0,0|3,0,0]=4 176 B10R1.25 COC1=C(C=C(C=C1)Br)S Z367661854 [1,0,0,0,0,0|3,0,0]=4 177 B10R1.25 COC1=C(C=C(C=C1)C)N Z104477476 [1,0,0,0,0,0|3,0,0]=4 178 B10R1.25 COC1=C(C=C(C=C1)Cl)I Z1269181635 [1,0,0,0,0,0|3,0,0]=4 179 B10R1.25 COC1=C(C=C(C=C1)Cl)N Z56782009 [1,0,0,0,0,0|3,0,0]=4 180 B10R1.25 COC1=C(C=C(C=C1)F)N Z332375930 [1,0,0,0,0,0|3,0,0]=4 181 B10R1.25 COC1=C(C=C(C=C1)I)Br Z362776936 [1,0,0,0,0,0|3,0,0]=4 182 B10R1.25 COC1=C(C=C(C=C1)I)F Z57073900 [1,0,0,0,0,0|3,0,0]=4 183 B10R1.25 COC1=C(C=C(C=C1)N)Br Z57450975 [1,0,0,0,0,0|3,0,0]=4 184 B10R1.25 COC1=C(C=C(C=C1)N)C Z385462626 [1,0,0,0,0,0|2,0,0]=3 185 B10R1.25 COC1=C(C=C(C=C1)N)F Z362635046 [1,0,0,0,0,0|3,0,0]=4 186 B10R1.25 COC1=C(C=C(C=C1)N)O Z104494830 [1,0,0,0,0,0|3,0,0]=4 187 B10R1.25 COC1=C(C=C(C=C1)O)F Z415739536 [1,0,0,0,0,0|2,0,0]=3 188 B10R1.25 COC1=C(C=C(C=C1)O)I Z1269222013 [1,0,0,0,0,0|2,0,0]=3 189 B10R1.25 CSC1=C(C=C(C=C1)Br)N Z412043196 [1,0,0,0,0,0|3,0,0]=4 190 B10R1.25 CSC1=C(C=C(C=C1)Cl)N Z234894267 [1,0,0,0,0,0|3,0,0]=4 191 B10R1.25 CSC1=C(C=C(C=C1)F)N Z803129932 [1,0,0,0,0,0|3,0,0]=4 192 B10R1.25 CSC1=C(C=C(C=C1)N)Br Z852342876 [1,0,0,0,0,0|3,0,0]=4 193 B10R1.25 CSC1=C(C=C(C=C1)N)Cl Z412040302 [1,0,0,0,0,0|3,0,0]=4 194 B10R1.25 CSC1=C(C=C(C=C1)N)F Z412032312 [1,0,0,0,0,0|3,0,0]=4 195 B10R1.25 CSC1=C(C=C(C=C1)O)Br Z1269227695 [1,0,0,0,0,0|2,0,0]=3 196 B10R1.25 CSC1=C(C=C(C=C1)O)C Z277164168 [1,0,0,0,0,0|1,0,0]=2 197 B10R1.25 ClCC1=C(C=C(C=C1)Cl)Cl Z57834457 [1,0,0,0,0,0|3,0,0]=4 198 B10R1.25 N#CC1=C(C=C(C=C1)O)F Z1157728598 [1,0,0,0,0,0|2,0,1]=4 199 B10R1.25 N#CC1=C(C=C(C=C1)O)O Z1255361029 [1,0,0,0,0,0|2,0,1]=4 200 B10R1.25 NC1=C(C=CC(=C1)Br)CO Z1269175206 [1,0,0,0,0,0|3,0,0]=4 201 B10R1.25 NC1=C(C=CC(=C1)Cl)CO Z955147660 [1,0,0,0,0,0|3,0,0]=4 202 B10R1.25 NC1=C(C=CC(=C1)F)CO Z1198159868 [1,0,0,0,0,0|3,0,0]=4 203 B10R1.25 NCC1=C(C=C(C=C1)Br)Br Z3244847417 [1,0,0,0,0,0|3,0,0]=4 204 B10R1.25 NCC1=C(C=C(C=C1)Br)Cl Z448247302 [1,0,0,0,0,0|3,0,0]=4 205 B10R1.25 NCC1=C(C=C(C=C1)Br)F Z1266933858 [1,0,0,0,0,0|3,0,0]=4 206 B10R1.25 NCC1=C(C=C(C=C1)Br)O Z1269160590 [1,0,0,0,0,0|3,0,0]=4 207 B10R1.25 NCC1=C(C=C(C=C1)Cl)Br Z2787455611 [1,0,0,0,0,0|3,0,0]=4 208 B10R1.25 NCC1=C(C=C(C=C1)Cl)Cl Z316170412 [1,0,0,0,0,0|3,0,0]=4 209 B10R1.25 NCC1=C(C=C(C=C1)Cl)F Z2238931004 [1,0,0,0,0,0|3,0,0]=4 210 B10R1.25 NCC1=C(C=C(C=C1)Cl)I Z1889706351 [1,0,0,0,0,0|3,0,0]=4 211 B10R1.25 NCC1=C(C=C(C=C1)F)Br Z2238930616 [1,0,0,0,0,0|3,0,0]=4 212 B10R1.25 NCC1=C(C=C(C=C1)F)F Z239626462 [1,0,0,0,0,0|3,0,0]=4 213 B10R1.25 NCC1=C(C=C(C=C1)I)Cl Z1973465512 [1,0,0,0,0,0|3,0,0]=4 214 B10R1.25 NCC1=C(C=C(C=C1)N)F Z5197774367 [1,0,0,0,0,0|3,0,0]=4 215 B10R1.25 NCC1=C(C=C(C=C1)N)O Z3034846582 [1,0,0,0,0,0|3,0,0]=4 216 B10R1.25 NCC1=C(C=C(C=C1)O)F Z3244923137 [1,0,0,0,0,0|2,0,0]=3 217 B10R1.25 NCC1=C(C=C(C=C1)O)O Z2350903951 [1,0,0,0,0,0|2,0,0]=3 218 B10R1.25 O=CC1=C(C=C(C=C1)O)Br Z622749802 [1,0,0,0,0,0|2,0,1]=4 219 B10R1.25 O=CC1=C(C=C(C=C1)O)Cl Z1255419357 [1,0,0,0,0,0|2,0,1]=4 220 B10R1.25 O=CC1=C(C=C(C=C1)O)F Z1201623850 [1,0,0,0,0,0|2,0,1]=4 221 B10R1.25 O=CC1=C(C=C(C=C1)O)O Z104497974 [1,0,0,0,0,0|2,0,1]=4 222 B10R1.25 OCC1=C(C=C(C=C1)Br)Br Z1269234186 [1,0,0,0,0,0|3,0,0]=4 223 B10R1.25 OCC1=C(C=C(C=C1)Br)Cl Z448248274 [1,0,0,0,0,0|3,0,0]=4 224 B10R1.25 OCC1=C(C=C(C=C1)Br)I Z1269215229 [1,0,0,0,0,0|3,0,0]=4 225 B10R1.25 OCC1=C(C=C(C=C1)Cl)Br Z1269183118 [1,0,0,0,0,0|3,0,0]=4 226 B10R1.25 OCC1=C(C=C(C=C1)Cl)Cl Z111479786 [1,0,0,0,0,0|3,0,0]=4 227 B10R1.25 OCC1=C(C=C(C=C1)Cl)I Z1269244634 [1,0,0,0,0,0|3,0,0]=4 228 B10R1.25 OCC1=C(C=C(C=C1)F)Br Z397587428 [1,0,0,0,0,0|3,0,0]=4 229 B10R1.25 OCC1=C(C=C(C=C1)F)I Z1269118341 [1,0,0,0,0,0|3,0,0]=4 230 B10R1.25 OCC1=C(C=C(C=C1)I)Cl Z1269140641 [1,0,0,0,0,0|3,0,0]=4 231 B10R1.61 C=C(C)C1=C(C=CC=C1)Br Z1238836250 [1,0,0,0,0,0|1,0,2]=4 232 B10R1.61 CC(=O)C1=C(C=CC=C1)Br Z219997444 [1,0,0,0,0,0|2,0,1]=4 233 B10R1.61 CC(=O)C1=C(C=CC=C1)Cl Z104473116 [1,0,0,0,0,0|2,0,1]=4 234 B10R1.61 CC(=O)C1=C(C=CC=C1)F Z104475574 [1,0,0,0,0,0|2,0,1]=4 235 B10R1.61 CC(=O)C1=C(C=CC=C1)I Z1080378952 [1,0,0,0,0,0|2,0,1]=4 236 B10R1.61 CC(=O)C1=C(C=CC=C1)O Z57101014 [1,0,0,0,0,0|2,0,1]=4 237 B10R1.61 CC(=O)C1=C(C=CN=C1)C Z1198178359 [1,0,0,0,0,0|2,0,1]=4 238 B10R1.61 CC(C)C1=C(C=CC=C1)Br Z1201618204 [1,0,0,0,0,0|1,0,0]=2 239 B10R1.61 CC(C)C1=C(C=CC=C1)N Z104475672 [1,0,0,0,0,0|1,0,0]=2 240 B10R1.61 CC(C)C1=C(C=CC=C1)O Z104485440 [1,0,0,0,0,0|1,0,0]=2 241 B10R1.61 CC(C)C1=C(C=CC=N1)N Z1416177001 [1,0,0,0,0,0|2,0,0]=3 242 B10R1.61 CC(C)C1=C(C=CN=C1)N Z1192004736 [1,0,0,0,0,0|2,0,0]=3 243 B10R1.61 CC(C)C1=C(C=CN=C1)O Z1255421924 [1,0,0,0,0,0|2,0,0]=3 244 B10R1.61 CC(C)C1=C(C=NC=N1)N Z3303296144 [1,0,0,0,0,0|3,0,0]=4 245 B10R1.61 CC(C)C1=C(C=NC=N1)O Z1618037650 [1,0,0,0,0,0|3,0,0]=4 246 B10R1.61 CC(C)C1=C(N=CC=C1)N Z1192017957 [1,0,0,0,0,0|2,0,0]=3 247 B10R1.61 CC(C)C1=C(N=CC=N1)Cl Z1255497724 [1,0,0,0,0,0|3,0,0]=4 248 B10R1.61 CC(C)C1=C(N=CN=C1)N Z1203583456 [1,0,0,0,0,0|3,0,0]=4 249 B10R1.61 CC(C)C1=NC=CNC1=O Z1203732938 [1,0,0,0,0,0|3,0,0]=4 250 B10R1.61 CC(N)C1=C(C=CC=C1)F Z56347426 [1,0,0,0,0,0|2,0,0]=3 251 B10R1.61 CC(N)C1=C(C=CC=C1)O Z234895795 [1,0,0,0,0,0|2,0,0]=3 252 B10R1.61 CC(N)C1=C(C=CC=N1)Br Z3925841137 [1,0,0,0,0,0|3,0,0]=4 253 B10R1.61 CC(N)C1=C(C=CC=N1)F Z2284396256 [1,0,0,0,0,0|3,0,0]=4 254 B10R1.61 CC(N)C1=C(C=CN=C1)O Z4515690259 [1,0,0,0,0,0|3,0,0]=4 255 B10R1.61 CC(O)C1=C(C=CC=C1)Cl Z335244972 [1,0,0,0,0,0|2,0,0]=3 256 B10R1.61 CC(O)C1=C(C=CC=C1)N Z734526976 [1,0,0,0,0,0|2,0,0]=3 257 B10R1.61 CC1=C(C=CC=C1)B(O)O Z336079622 [1,0,0,0,0,0|3,0,0]=4 258 B10R1.61 CC1=C(C=CC=C1)C(=N)N Z1483957011 [1,0,0,0,0,0|2,0,1]=4 259 B10R1.61 CC1=C(C=CC=C1)C(=O)O Z104495626 [1,0,0,0,0,0|2,0,1]=4 260 B10R1.61 CC1=C(C=CC=C1)C(=S)N Z57046956 [1,0,0,0,0,0|2,0,1]=4 261 B10R1.61 CC1=C(C=CC=C1)C(C)O Z335245068 [1,0,0,0,0,0|1,0,0]=2 262 B10R1.61 CC1=C(C=CC=C1)[C@@H](C)O Z360055768 [1,0,0,0,0,0|1,0,0]=2 263 B10R1.61 CC1=C(C=CC=C1)[N+](=O)[O-] Z104473652 [1,0,0,0,0,0|3,0,0]=4 264 B10R1.61 CC1=C(C=CC=N1)C(C)N Z4511547602 [1,0,0,0,0,0|2,0,0]=3 265 B10R1.61 CC1=C(C=CC=N1)C(C)O Z1766930129 [1,0,0,0,0,0|2,0,0]=3 266 B10R1.61 CC1=C(C=CN=C1)C(C)N Z4959064345 [1,0,0,0,0,0|2,0,0]=3 267 B10R1.61 CN(C)C1=C(C=CC=C1)I Z840599616 [1,0,0,0,0,0|2,0,0]=3 268 B10R1.61 CN(C)C1=C(C=CC=C1)N Z234893807 [1,0,0,0,0,0|2,0,0]=3 269 B10R1.61 CN(C)C1=C(C=CC=C1)O Z2681253687 [1,0,0,0,0,0|2,0,0]=3 270 B10R1.61 CN(C)C1=C(C=CN=C1)N Z1203580770 [1,0,0,0,0,0|3,0,0]=4 271 B10R1.61 CN(C)C1=C(C=NC=C1)N Z359373420 [1,0,0,0,0,0|3,0,0]=4 272 B10R1.61 CN(C)C1=C(N=CC=C1)N Z1203587145 [1,0,0,0,0,0|3,0,0]=4 273 B10R1.61 CS(=O)C1=C(C=CC=C1)N Z609980396 [1,0,0,0,0,0|3,0,0]=4 274 B10R1.61 C[C@@H](N)C1=C(C=CC=C1)Br Z1696289917 [1,0,0,0,0,0|2,0,0]=3 275 B10R1.61 C[C@@H](N)C1=C(C=CC=C1)Cl Z360055184 [1,0,0,0,0,0|2,0,0]=3 276 B10R1.61 C[C@@H](O)C1=C(C=CC=C1)Br Z1127664407 [1,0,0,0,0,0|2,0,0]=3 277 B10R1.61 C[C@@H](O)C1=C(C=CC=C1)Cl Z360055178 [1,0,0,0,0,0|2,0,0]=3 278 B10R1.61 C[C@H](N)C1=C(C=CC=C1)Br Z1696289881 [1,0,0,0,0,0|2,0,0]=3 279 B10R1.61 C[C@H](N)C1=C(C=CC=N1)F Z1924739255 [1,0,0,0,0,0|3,0,0]=4 280 B10R1.61 C[C@H](O)C1=C(C=CC=C1)Br Z1127664292 [1,0,0,0,0,0|2,0,0]=3 281 B10R1.61 C[C@H](O)C1=C(C=CC=C1)Cl Z360055172 [1,0,0,0,0,0|2,0,0]=3 282 B12R1.57 CC(C)C1=C(N=C(C=C1)Cl)C#N Z2732565766 [0,1,0,0,0,0|2,0,1]=4 283 B12R1.57 CN(C)C1=C(C=C(C=C1)F)C=O Z415637390 [0,1,0,0,0,0|2,0,1]=4 284 B12R1.57 COC1=C(C=CC(=C1)C)[C@@H](C)O Z1127664493 [0,1,0,0,0,0|2,0,0]=3 285 B12R1.57 COC1=C(C=CC(=C1)Cl)C(=O)C Z871801794 [0,1,0,0,0,0|2,0,1]=4 286 B12R1.57 COC1=C(C=CC(=C1)F)C(=O)C Z330830584 [0,1,0,0,0,0|2,0,1]=4 287 B12R1.57 COC1=C(C=CC(=C1)N)C(=O)C Z1255387837 [0,1,0,0,0,0|2,0,1]=4 288 B12R1.57 COC1=C(C=CC(=C1)O)[N+](=O)[O-] Z1255387801 [0,1,0,0,0,0|3,0,0]=4 289 B12R1.57 O=[N+]([O-])C1=C(C=C(C=C1)O)CO Z1255360670 [0,1,0,0,0,0|3,0,0]=4 290 B12R1.57 OCC1=C(C=CC(=C1)Cl)C(F)F Z3243464111 [0,1,0,0,0,0|3,0,0]=4 291 B12R1.126 CC(C)(C)C1=C(C=C(C=C1)Cl)N Z1262627870 [0,1,0,0,0,0|2,0,0]=3 292 B12R1.126 CC(C)(N)C1=C(C=C(C=C1)Br)F Z4574933795 [0,1,0,0,0,0|2,0,0]=3 293 B12R1.126 CC(C)(N)C1=C(C=C(C=C1)F)Br Z4658970057 [0,1,0,0,0,0|2,0,0]=3 294 B12R1.126 CC(C)(N)C1=C(C=C(C=C1)F)Cl Z1267881731 [0,1,0,0,0,0|2,0,0]=3 295 B12R1.126 CC(C)(N)C1=C(C=C(C=C1)F)F Z2805859055 [0,1,0,0,0,0|2,0,0]=3 296 B12R1.126 CC(C)(O)C1=C(C=C(C=C1)Br)Cl Z1486034916 [0,1,0,0,0,0|2,0,0]=3 297 B12R1.126 CC1=C(C=CC(=C1)Br)C(F)(F)F Z1269149151 [0,1,0,0,0,0|3,0,0]=4 298 B12R1.126 CC1=C(C=CC(=C1)N)S(=O)(=O)C Z385462148 [0,1,0,0,0,0|3,0,0]=4 299 B12R1.126 CC1=C(C=CC(=C1)O)S(=O)(=O)C Z1278926303 [0,1,0,0,0,0|2,0,0]=3 300 B12R1.126 CC1=C(C=CC(=C1)O)S(=O)(=O)N Z1255501255 [0,1,0,0,0,0|3,0,0]=4 301 B12R1.126 CC1=C(N=CC(=C1)O)C(F)(F)F Z2831441315 [0,1,0,0,0,0|3,0,0]=4 302 B12R1.232 CC(=O)C1=C(C=C(C(=C1)O)O)O Z274502124 [0,1,0,0,0,0|2,0,1]=4 303 B12R1.232 CC(N)C1=C(C=C(C(=C1)F)Br)F Z2677964710 [0,1,0,0,0,0|3,0,0]=4 304 B12R1.232 CC(N)C1=C(C=C(C(=C1)F)Cl)Cl Z56347485 [0,1,0,0,0,0|3,0,0]=4 305 B12R1.232 CC1=C(C=C(C(=C1)O)O)C(=O)O Z1255427529 [0,1,0,0,0,0|2,0,1]=4 306 B12R1.232 CC1=CC(=C(C=C1Cl)C(C)C)O Z104485030 [0,1,0,0,0,0|2,0,0]=3 307 B12R1.232 CC1=CC(=C(C=C1Cl)C(C)N)O Z4921616835 [0,1,0,0,0,0|3,0,0]=4 308 B12R1.232 CC1=CC(=C(C=C1N)C(C)C)O Z1407007577 [0,1,0,0,0,0|2,0,0]=3 309 B12R1.232 CC1=CC(=C(C=C1O)C(C)C)Cl Z104495034 [0,1,0,0,0,0|2,0,0]=3 310 B12R1.232 CC1=CC(=C(C=C1O)C(C)C)O Z1198148655 [0,1,0,0,0,0|2,0,0]=3 311 B12R1.232 CC1=CC(=C(C=C1[N+](=O)[O-])C)O Z235351527 [0,1,0,0,0,0|3,0,0]=4 312 B12R1.232 CC1=CC(=O)C(=CC1=O)C(C)C Z1255372388 [0,1,0,0,0,0|2,0,0]=3 313 B12R1.452 CC(C)C1=C(C=C(C=C1)C=O)Br Z3242862201 [0,1,0,0,0,0|1,0,1]=3 314 B12R1.452 CC(N)C1=C(C=C(C=C1)C#N)F Z1688198406 [0,1,0,0,0,0|3,0,0]=4 315 B12R1.452 CC1=C(C=CC(=C1)CN)N(C)C Z1266823112 [0,1,0,0,0,0|2,0,0]=3 316 B12R1.452 CC1=C(C=CC(=C1)CO)[N+](=O)[O-] Z1255386715 [0,1,0,0,0,0|3,0,0]=4 317 B12R1.452 CC1=C(C=CC(=N1)CN)C(C)O Z1569709176 [0,1,0,0,0,0|3,0,0]=4 318 B12R1.452 CN(C)C1=C(C=C(C=C1)C#N)Br Z1544712728 [0,1,0,0,0,0|3,0,0]=4 319 B12R1.452 CN(C)C1=C(C=C(C=C1)C#N)F Z445161418 [0,1,0,0,0,0|3,0,0]=4 320 B12R1.452 CN(C)C1=C(C=C(C=C1)C=O)F Z335439982 [0,1,0,0,0,0|2,0,1]=4 321 B12R1.452 CN(C)C1=C(C=C(C=C1)CN)F Z362597184 [0,1,0,0,0,0|3,0,0]=4 322 B12R1.452 CN(C)C1=C(C=C(C=C1)CO)F Z362022086 [0,1,0,0,0,0|2,0,0]=3 323 B12R1.452 COC1=CC(=C(C=C1)B(O)O)C Z381541068 [0,1,0,0,0,0|3,0,0]=4 324 B12R1.452 COC1=CC(=C(C=C1)C(=O)C)Br Z454080406 [0,1,0,0,0,0|2,0,1]=4 325 B12R1.452 COC1=CC(=C(C=C1)C(=O)C)C Z285137066 [0,1,0,0,0,0|1,0,1]=3 326 B12R1.452 COC1=CC(=C(C=C1)C(=O)C)N Z1198165201 [0,1,0,0,0,0|2,0,1]=4 327 B12R1.452 COC1=CC(=C(C=C1)C(=O)C)O Z57101020 [0,1,0,0,0,0|2,0,1]=4 328 B12R1.452 COC1=CC(=C(C=C1)[C@H](C)O)Br Z1541833075 [0,1,0,0,0,0|2,0,0]=3 329 B12R1.452 COC1=CC(=C(C=C1)[N+](=O)[O-])C Z208835124 [0,1,0,0,0,0|3,0,0]=4 330 B12R1.452 COC1=NC(=C(C=C1)C(=O)C)C Z1255449232 [0,1,0,0,0,0|2,0,1]=4 331 B12R1.893 CC(=O)C1=C(C(=C(C=C1)O)O)O Z57124116 [0,1,0,0,0,0|2,0,1]=4 332 B12R1.893 CC1=C(C=CC(=C1C)C(=O)O)O Z1262516396 [0,1,0,0,0,0|2,0,1]=4 333 B12R1.893 CC1=C(C=CC(=C1Cl)C(C)N)Cl Z5001901844 [0,1,0,0,0,0|3,0,0]=4 334 B12R1.893 C[C@@H](N)C1=C(C(=C(C=C1)Cl)Cl)Cl Z1696091842 [0,1,0,0,0,0|3,0,0]=4 335 B12R1.893 C[C@H](N)C1=C(C(=C(C=C1)Cl)Cl)Cl Z1217910574 [0,1,0,0,0,0|3,0,0]=4 336 B12R1.1000 CC(=O)C1=C(C=C(C=C1C)C)O Z57790061 [0,1,0,0,0,0|2,0,1]=4 337 B12R1.1000 CC(=O)C1=C(C=C(C=C1C)N)C Z1255396159 [0,1,0,0,0,0|2,0,1]=4 338 B12R1.1000 CC(=O)C1=C(C=C(C=C1C)O)C Z1255419846 [0,1,0,0,0,0|1,0,1]=3 339 B12R1.1000 CC(O)C1=C(C=C(C=C1F)F)F Z756127826 [0,1,0,0,0,0|3,0,0]=4 340 B12R1.1000 CC1=CC(=C(C(=C1)C)C(C)O)C Z228586268 [0,1,0,0,0,0|2,0,0]=3 341 B12R1.1000 CC1=CC(=CC(=C1C(=O)O)C)O Z1201620717 [0,1,0,0,0,0|2,0,1]=4 342 B12R1.1000 CC1=CC(=CC(=C1C(C)C)C)O Z1513825150 [0,1,0,0,0,0|0,0,0]=1 343 B12R1.1000 CC1=CC(=CC(=C1[N+](=O)[O-])C)O Z1255485872 [0,1,0,0,0,0|3,0,0]=4 344 B12R1.1000 CN(C)C1=C(C=C(C=C1F)N)F Z600386488 [0,1,0,0,0,0|3,0,0]=4 345 B12R1.1703 CC(C=O)C1=C(C=C(C=C1)F)F Z1268606334 [0,1,0,0,0,0|2,0,1]=4 346 B12R1.1703 CC(CN)C1=C(C=C(C=C1)F)F Z415655056 [0,1,0,0,0,0|2,0,0]=3 347 B12R1.1703 CC1=CC(=C(C=C1)C(=O)CCl)C Z147641498 [0,1,0,0,0,0|2,0,1]=4 348 B12R1.1703 CCC(N)C1=C(C=C(C=C1)F)F Z335236622 [0,1,0,0,0,0|3,0,0]=4 349 B12R1.1703 CCC(O)C1=C(C=C(C=C1)Cl)F Z1082848670 [0,1,0,0,0,0|3,0,0]=4 350 B12R1.1703 CCC(O)C1=C(C=C(C=C1)F)F Z756131106 [0,1,0,0,0,0|3,0,0]=4 351 B12R1.1703 CNC(=O)C1=C(C=C(C=C1)Br)C Z605596250 [0,1,0,0,0,0|2,0,1]=4 352 B12R1.1703 CNC(=O)C1=C(C=C(C=C1)C)C Z32016701 [0,1,0,0,0,0|2,0,1]=4 353 B12R1.1703 CNC(=O)C1=C(C=C(C=C1)N)C Z877632648 [0,1,0,0,0,0|2,0,1]=4 354 B12R1.1703 CNC(C)C1=C(C=C(C=C1)C)C Z239628972 [0,1,0,0,0,0|1,0,0]=2 355 B12R1.1703 CNC(C)C1=C(C=C(C=C1)Cl)Cl Z140561866 [0,1,0,0,0,0|2,0,0]=3 356 B12R1.1703 COC(=O)C1=C(C=C(C=C1)C)C Z18557172 [0,1,0,0,0,0|2,0,1]=4 357 B12R1.1703 COC(=O)C1=C(C=C(C=C1)N)C Z877640768 [0,1,0,0,0,0|2,0,1]=4 358 B12R1.1703 COC(=O)C1=C(C=C(C=C1)O)Cl Z1198164600 [0,1,0,0,0,0|2,0,1]=4 359 B12R1.1703 COC(=O)C1=C(C=C(C=C1)O)F Z1198184471 [0,1,0,0,0,0|2,0,1]=4 360 B12R1.1703 COC(=O)C1=C(C=C(C=C1)O)N Z1255399732 [0,1,0,0,0,0|2,0,1]=4 361 B12R1.1703 COC(=O)C1=C(C=C(C=C1)O)O Z25218921 [0,1,0,0,0,0|2,0,1]=4 362 B12R1.1703 NC(CO)C1=C(C=C(C=C1)F)F Z2582144029 [0,1,0,0,0,0|3,0,0]=4 363 B12R1.1703 NCC(O)C1=C(C=C(C=C1)Cl)Cl Z336086576 [0,1,0,0,0,0|3,0,0]=4 364 B12R1.1703 NCC(O)C1=C(C=C(C=C1)F)F Z330910386 [0,1,0,0,0,0|3,0,0]=4 365 B12R1.1703 O=C(CCl)C1=C(C=C(C=C1)O)O Z56886635 [0,1,0,0,0,0|2,0,1]=4 366 B12R2.612 CC1=CC2=C(C=C1)C(=O)CC2 Z318770612 [0,0,0,1,0,0|2,0,1]=4 367 B12R2.612 CC1=CC2=C(C=C1)C(CC2)N Z802665938 [0,0,0,1,0,0|2,0,0]=3 368 B12R2.612 CC1=CNC2=C1C=CC(=C2)O Z1203731448 [0,0,0,1,0,0|1,0,2]=4 369 B12R2.612 CN1C=NC2=C1C=CC(=C2)O Z275242686 [0,0,0,1,0,0|2,0,1]=4 370 B12R2.612 CN1CCC2=C1C=CC(=C2)N Z992717374 [0,0,0,1,0,0|2,0,0]=3 371 B12R2.612 CN1CCC2=C1C=CC(=C2)O Z2238129691 [0,0,0,1,0,0|1,0,0]=2 372 B12R2.612 NC1=CC2=C(C=C1)C(=O)CC2 Z57109500 [0,0,0,1,0,0|2,0,1]=4 373 B12R2.612 NC1=CC2=C(C=C1)C(CC2)N Z2526714445 [0,0,0,1,0,0|2,0,0]=3 374 B12R2.612 NC1CCC2=C1C=CC(=C2)Br Z802671682 [0,0,0,1,0,0|2,0,0]=3 375 B12R2.612 NC1CCC2=C1C=CC(=C2)Cl Z802665886 [0,0,0,1,0,0|2,0,0]=3 376 B12R2.612 NC1CCC2=C1C=CC(=C2)F Z802671620 [0,0,0,1,0,0|2,0,0]=3 377 B12R2.612 NC1COC2=C1C=CC(=C2)Br Z1269171640 [0,0,0,1,0,0|3,0,0]=4 378 B12R2.612 NC1COC2=C1C=CC(=C2)Cl Z3244818242 [0,0,0,1,0,0|3,0,0]=4 379 B12R2.612 NC1COC2=C1C=CC(=C2)F Z3014279399 [0,0,0,1,0,0|3,0,0]=4 380 B12R2.612 O=C1CCC2=C1C=CC(=C2)Br Z318770638 [0,0,0,1,0,0|2,0,1]=4 381 B12R2.612 O=C1CCC2=C1C=CC(=C2)Cl Z318770634 [0,0,0,1,0,0|2,0,1]=4 382 B12R2.612 O=C1CCC2=C1C=CC(=C2)F Z318770630 [0,0,0,1,0,0|2,0,1]=4 383 B12R2.612 O=C1CCC2=C1C=CC(=C2)O Z1255457932 [0,0,0,1,0,0|1,0,1]=3 384 B12R2.612 O=C1COC2=C1C=CC(=C2)O Z111875098 [0,0,0,1,0,0|2,0,1]=4 385 B12R2.612 O=C1NCC2=C1C=CC(=C2)O Z1198272536 [0,0,0,1,0,0|2,0,1]=4 386 B12R2.612 O=C1OCC2=C1C=CC(=C2)O Z1198162647 [0,0,0,1,0,0|2,0,1]=4 387 B12R2.612 OC1CCC2=C1C=CC(=C2)Br Z756050350 [0,0,0,1,0,0|2,0,0]=3 388 B12R2.612 OC1CCC2=C1C=CC(=C2)F Z1198318486 [0,0,0,1,0,0|2,0,0]=3 389 B12R2.612 OC1CCC2=C1N=CC(=C2)Br Z1269195934 [0,0,0,1,0,0|3,0,0]=4 390 B12R2.612 OC1COC2=C1C=CC(=C2)Br Z1362940613 [0,0,0,1,0,0|3,0,0]=4 391 B12R2.612 OC1COC2=C1C=CC(=C2)Cl Z1362956560 [0,0,0,1,0,0|3,0,0]=4 392 B12R2.612 OC1CSC2=C1C=CC(=C2)Br Z1862026249 [0,0,0,1,0,0|3,0,0]=4 393 B12R2.612 O[C@@H]1CCC2=C1C=CC(=C2)Br Z1269146008 [0,0,0,1,0,0|2,0,0]=3 394 B12R2.612 O[C@@H]1CCC2=C1C=CC(=C2)Cl Z959151848 [0,0,0,1,0,0|2,0,0]=3 395 B12R2.612 O[C@@H]1CCC2=C1C=CC(=C2)F Z959151860 [0,0,0,1,0,0|2,0,0]=3 396 B12R2.612 O[C@H]1CCC2=C1C=CC(=C2)Cl Z959151850 [0,0,0,1,0,0|2,0,0]=3 397 B12R2.612 O[C@H]1CCC2=C1C=CC(=C2)F Z959151856 [0,0,0,1,0,0|2,0,0]=3 398 B12R2.1317 CC1=C(C=CC(=C1)Br)C2CO2 Z2238811633 [0,0,0,1,0,0|2,0,0]=3 399 B12R2.1317 CC1=C(C=CC(=C1)F)C2CO2 Z1020679774 [0,0,0,1,0,0|2,0,0]=3 400 B12R2.1317 CC1=C(C=CC(=C1)N)C2CC2 Z992239704 [0,0,0,1,0,0|1,0,0]=2 401 B12R2.1317 CC1=CC(=C(C=C1)C2CC2)N Z5779348196 [0,0,0,1,0,0|2,0,0]=3 402 B12R2.1317 CC1=CC(=C(C=C1)C2CO2)C Z278165274 [0,0,0,1,0,0|2,0,0]=3 403 B12R2.1317 ClC1=CC(=C(C=C1)C2CO2)Cl Z278165236 [0,0,0,1,0,0|3,0,0]=4 404 B12R2.1317 FC1=CC(=C(C=C1)C2CO2)Cl Z1222418185 [0,0,0,1,0,0|3,0,0]=4 405 B12R2.1317 FC1=CC(=C(C=C1)C2CO2)F Z278165286 [0,0,0,1,0,0|3,0,0]=4 406 B12R2.1317 FC1=CC(=C(C=C1)[C@@H]2CO2)F Z1574937231 [0,0,0,1,0,0|3,0,0]=4 407 B12R2.1317 FC1=CC(=C(C=C1)[C@H]2CO2)F Z1574937263 [0,0,0,1,0,0|3,0,0]=4 408 B12R2.1317 NC1=C(C=CC(=C1)F)C2CC2 Z4738544941 [0,0,0,1,0,0|2,0,0]=3 409 B10R1.59 CC1=C(N=C(S1)N)C(C)C Z608350002 [0,0,0,0,1,0|3,0,0]=4 410 B10R1.59 CC1=C(NC(=O)S1)C(C)C Z608350078 [0,0,0,0,1,0|2,0,1]=4 411 B10R1.59 CC1=CC(=C(O1)C)C(C)N Z362069442 [0,0,0,0,1,0|3,0,0]=4 412 B10R1.59 CC1=CC(=C(S1)C)C(C)N Z330913164 [0,0,0,0,1,0|3,0,0]=4 413 B10R1.59 CC1=CC(=NN1C(C)C)C Z802540400 [0,0,0,0,1,0|3,0,0]=4 414 B10R1.194 CC(C)C1=CN=C(N1C)S Z1250607798 [0,0,0,0,1,0|2,1,0]=4 415 B10R1.194 CC1=C(C=NN1C(C)C)N Z3300374969 [0,0,0,0,1,0|3,0,0]=4 416 B12R1.233 CC(=O)NC1=C(C=C(C=C1)Br)C Z26621747 [0,0,0,0,0,1|2,0,1]=4 417 B12R1.233 CC(=O)NC1=C(C=C(C=C1)C)C Z27801599 [0,0,0,0,0,1|2,0,1]=4 418 B12R1.233 CC(=O)NC1=C(C=C(C=C1)F)C Z29827980 [0,0,0,0,0,1|2,0,1]=4 419 B12R1.233 CC(=O)NC1=C(C=C(C=C1)I)C Z30179236 [0,0,0,0,0,1|2,0,1]=4 420 B12R1.233 CC(=O)NC1=C(C=C(C=C1)N)C Z239121088 [0,0,0,0,0,1|2,0,1]=4 421 B12R1.233 CC(=O)OC1=C(C=C(C=C1)Br)C Z1516170019 [0,0,0,0,0,1|2,0,1]=4 422 B12R1.233 CC(C)CC1=C(C=C(C=C1)O)O Z1513805538 [0,0,0,0,0,1|1,0,0]=2 423 B12R1.233 CC(C)NC1=C(C=C(C=C1)Cl)N Z359511184 [0,0,0,0,0,1|2,0,0]=3 424 B12R1.233 CC(C)NC1=C(C=C(C=C1)F)Cl Z267287236 [0,0,0,0,0,1|2,0,0]=3 425 B12R1.233 CC(C)NC1=C(C=C(C=C1)F)I Z4034733287 [0,0,0,0,0,1|2,0,0]=3 426 B12R1.233 CC(C)OC1=C(C=C(C=C1)Br)N Z330805102 [0,0,0,0,0,1|2,0,0]=3 427 B12R1.233 CC(C)OC1=C(C=C(C=C1)Cl)N Z274542066 [0,0,0,0,0,1|2,0,0]=3 428 B12R1.233 CC(C)OC1=C(C=C(C=C1)F)N Z332376424 [0,0,0,0,0,1|2,0,0]=3 429 B12R1.233 CC(C)OC1=C(C=C(C=C1)N)Cl Z239873346 [0,0,0,0,0,1|2,0,0]=3 430 B12R1.233 CC(C)OC1=C(C=C(C=N1)Cl)N Z1470150308 [0,0,0,0,0,1|3,0,0]=4 431 B12R1.233 CC(C)SC1=C(C=C(C=C1)Cl)N Z319450618 [0,0,0,0,0,1|2,0,0]=3 432 B12R1.233 CC(N)CC1=C(C=C(C=C1)Br)F Z405046456 [0,0,0,0,0,1|3,0,0]=4 433 B12R1.233 CC(N)CC1=C(C=C(C=C1)Cl)Cl Z285143988 [0,0,0,0,0,1|3,0,0]=4 434 B12R1.233 CC(N)CC1=C(C=C(C=C1)F)F Z5002837134 [0,0,0,0,0,1|3,0,0]=4 435 B12R1.233 CC1=C(C=CC(=C1)N)OC(C)C Z385462788 [0,0,0,0,0,1|1,0,0]=2 436 B12R1.233 CC1=C(C=CC(=C1)N)OC(F)F Z1262644248 [0,0,0,0,0,1|3,0,0]=4 437 B12R1.233 CC1=CC(=C(C=C1)CC(C)N)C Z285143886 [0,0,0,0,0,1|2,0,0]=3 438 B12R1.233 CC1=CC(=C(C=C1)NC(C)C)C Z1259341051 [0,0,0,0,0,1|1,0,0]=2 439 B12R1.233 CC1=CC(=C(N=C1)OC(C)C)N Z1262673178 [0,0,0,0,0,1|3,0,0]=4 440 B12R1.233 CN(C)CC1=C(C=C(C=C1)N)Br Z489537698 [0,0,0,0,0,1|3,0,0]=4 441 B12R1.233 CN(C)CC1=C(C=C(C=C1)N)Cl Z905073032 [0,0,0,0,0,1|3,0,0]=4 442 B12R1.233 CN(C)CC1=C(C=C(C=C1)N)F Z1250077979 [0,0,0,0,0,1|3,0,0]=4 443 B9R1.1 CCC1=CC=C(C=C1)I Z381540768 [2,0,0,0,0,0|1,0,0]=3 444 B9R1.1 CCC1=CC=C(C=C1)N Z104477836 [2,0,0,0,0,0|1,0,0]=3 445 B9R1.1 CCC1=CC=C(C=C1)O Z104479728 [2,0,0,0,0,0|0,0,0]=2 446 B9R1.1 CCC1=CN=C(C=C1)N Z1198224278 [2,0,0,0,0,0|2,0,0]=4 447 B9R1.1 CNC1=CC=C(C=C1)I Z744582716 [2,0,0,0,0,0|2,0,0]=4 448 B9R1.1 CNC1=CC=C(C=C1)O Z940713298 [2,0,0,0,0,0|1,0,0]=3 449 B9R1.1 COC1=CC=C(C=C1)C Z53834227 [2,0,0,0,0,0|2,0,0]=4 450 B9R1.1 COC1=CC=C(C=C1)F Z53834743 [2,0,0,0,0,0|2,0,0]=4 451 B9R1.1 COC1=CC=C(C=C1)N Z56938150 [2,0,0,0,0,0|2,0,0]=4 452 B9R1.1 COC1=CC=C(C=C1)O Z104474598 [2,0,0,0,0,0|1,0,0]=3 453 B9R1.1 COC1=NC=C(C=C1)O Z1201623942 [2,0,0,0,0,0|2,0,0]=4 454 B9R1.1 CSC1=CC=C(C=C1)N Z104511114 [2,0,0,0,0,0|2,0,0]=4 455 B9R1.1 FC1=CC=C(C=C1)CBr Z89269613 [2,0,0,0,0,0|2,0,0]=4 456 B9R1.1 N#CC1=CC=C(C=C1)O Z104473840 [2,0,0,0,0,0|1,0,1]=4 457 B9R1.1 NCC1=CC=C(C=C1)F Z54748266 [2,0,0,0,0,0|2,0,0]=4 458 B9R1.1 NCC1=CC=C(C=C1)O Z235348101 [2,0,0,0,0,0|1,0,0]=3 459 B9R1.1 NCC1=CN=C(C=C1)O Z1269638445 [2,0,0,0,0,0|2,0,0]=4 460 B9R1.1 NCC1=NC=C(C=C1)O Z3324887230 [2,0,0,0,0,0|2,0,0]=4 461 B9R1.1 O=CC1=CC=C(C=C1)O Z57127520 [2,0,0,0,0,0|1,0,1]=4 462 B9R1.1 OCC1=CC=C(C=C1)Br Z335244742 [2,0,0,0,0,0|2,0,0]=4 463 B9R1.1 OCC1=CC=C(C=C1)Cl Z104478032 [2,0,0,0,0,0|2,0,0]=4 464 B9R1.1 OCC1=CC=C(C=C1)F Z104477460 [2,0,0,0,0,0|2,0,0]=4 465 B9R1.1 OCC1=CC=C(C=C1)I Z385370342 [2,0,0,0,0,0|2,0,0]=4 466 B9R1.1 OCC1=NC=C(C=C1)O Z1217915045 [2,0,0,0,0,0|2,0,0]=4 467 B9R1.1 SCC1=CC=C(C=C1)Cl Z55948216 [2,0,0,0,0,0|2,0,0]=4 468 B9R1.6 CC(=O)C1=CC=CC=C1 Z57127548 [2,0,0,0,0,0|1,0,1]=4 469 B9R1.6 CC(C)C1=NC=CC=C1 Z1198148831 [2,0,0,0,0,0|1,0,0]=3 470 B9R1.6 CC(N)C1=CC=CC=C1 Z57102377 [2,0,0,0,0,0|1,0,0]=3 471 B9R1.6 CC(N)C1=CN=CC=C1 Z85921957 [2,0,0,0,0,0|2,0,0]=4 472 B9R1.6 CC(N)C1=NC=CC=C1 Z56347059 [2,0,0,0,0,0|2,0,0]=4 473 B9R1.6 CC(O)C1=CC=CC=C1 Z104494956 [2,0,0,0,0,0|1,0,0]=3 474 B9R1.6 CC(O)C1=CC=NC=C1 Z335245082 [2,0,0,0,0,0|2,0,0]=4 475 B9R1.6 CC(O)C1=CN=CC=C1 Z335245084 [2,0,0,0,0,0|2,0,0]=4 476 B9R1.6 CC(O)C1=NC=CC=C1 Z335244914 [2,0,0,0,0,0|2,0,0]=4 477 B9R1.6 CN(C)C1=CC=NC=C1 Z104478964 [2,0,0,0,0,0|2,0,0]=4 478 B9R1.6 CN(C)C1=CN=CC=C1 Z1201619922 [2,0,0,0,0,0|2,0,0]=4 479 B9R1.6 CN(N)C1=CC=CC=C1 Z57985384 [2,0,0,0,0,0|2,0,0]=4 480 B9R1.6 C[C@@H](N)C1=CC=CC=C1 Z1079183182 [2,0,0,0,0,0|1,0,0]=3 481 B9R1.6 C[C@@H](N)C1=CC=NC=C1 Z1197994836 [2,0,0,0,0,0|2,0,0]=4 482 B9R1.6 C[C@@H](O)C1=CC=CC=C1 Z360055166 [2,0,0,0,0,0|1,0,0]=3 483 B9R1.6 C[C@H](N)C1=CC=CC=C1 Z1079131570 [2,0,0,0,0,0|1,0,0]=3 484 B9R1.6 C[C@H](N)C1=CC=NC=C1 Z1492781304 [2,0,0,0,0,0|2,0,0]=4 485 B9R1.6 C[C@H](O)C1=CC=CC=C1 Z360055168 [2,0,0,0,0,0|1,0,0]=3 486 B9R1.15 BrCC1=C(C=CC=C1)Br Z56969700 [2,0,0,0,0,0|2,0,0]=4 487 B9R1.15 CC1=C(C=CC=C1)C=O Z104478122 [2,0,0,0,0,0|1,0,1]=4 488 B9R1.15 CC1=C(C=CC=C1)CO Z335244790 [2,0,0,0,0,0|1,0,0]=3 489 B9R1.15 CC1=C(C=CC=C1)NN Z56933829 [2,0,0,0,0,0|2,0,0]=4 490 B9R1.15 CC1=C(C=CN=C1)CO Z1198163942 [2,0,0,0,0,0|2,0,0]=4 491 B9R1.15 CC1=C(C=NC=C1)CO Z1198156922 [2,0,0,0,0,0|2,0,0]=4 492 B9R1.15 CC1=C(N=CC=C1)CO Z976637084 [2,0,0,0,0,0|2,0,0]=4 493 B9R1.15 CCC1=C(C=CC=C1)Br Z1255457372 [2,0,0,0,0,0|1,0,0]=3 494 B9R1.15 CCC1=C(C=CC=C1)O Z104477226 [2,0,0,0,0,0|1,0,0]=3 495 B9R1.15 CCC1=C(C=NC=C1)N Z1203586904 [2,0,0,0,0,0|2,0,0]=4 496 B9R1.15 CCC1=C(N=CC=C1)N Z1192017773 [2,0,0,0,0,0|2,0,0]=4 497 B9R1.15 CCC1=C(N=CC=C1)O Z1198266674 [2,0,0,0,0,0|2,0,0]=4 498 B9R1.15 CCC1=CNC=CC1=N Z1525649973 [2,0,0,0,0,0|2,0,0]=4 499 B9R1.15 CC[N+]1=C(C=CC=C1)N Z56791107 [2,0,0,0,0,0|2,0,0]=4 500 B9R1.15 CNC1=C(C=CC=C1)Br Z2588063702 [2,0,0,0,0,0|2,0,0]=4 501 B9R1.15 CNC1=C(C=CC=C1)F Z335276746 [2,0,0,0,0,0|2,0,0]=4 502 B9R1.15 CNC1=C(C=CC=C1)N Z57472969 [2,0,0,0,0,0|2,0,0]=4 503 B9R1.15 CNC1=C(C=CC=N1)C Z968907582 [2,0,0,0,0,0|2,0,0]=4 504 B9R1.15 CNC1=C(C=CN=C1)C Z1124504699 [2,0,0,0,0,0|2,0,0]=4 505 B9R1.15 CNC1=C(C=NC=C1)C Z1147200119 [2,0,0,0,0,0|2,0,0]=4 506 B9R1.15 CNC1=C(N=CC=C1)C Z1295808975 [2,0,0,0,0,0|2,0,0]=4 507 B9R1.15 COC1=C(C=CC=C1)F Z54600290 [2,0,0,0,0,0|2,0,0]=4 508 B9R1.15 COC1=C(C=CC=C1)O Z104474028 [2,0,0,0,0,0|2,0,0]=4 509 B9R1.15 COC1=C(N=CC=C1)C Z1198150814 [2,0,0,0,0,0|2,0,0]=4 510 B9R1.15 CSC1=C(C=CC=C1)C Z785054008 [2,0,0,0,0,0|1,0,0]=3 511 B9R1.15 CSC1=C(C=CC=C1)N Z104478220 [2,0,0,0,0,0|2,0,0]=4 512 B9R1.15 NC1=C(C=CC=C1)CO Z104495736 [2,0,0,0,0,0|2,0,0]=4 513 B9R1.15 NCC1=C(C=CC=C1)Cl Z55002587 [2,0,0,0,0,0|2,0,0]=4 514 B9R1.15 NCC1=C(C=CC=C1)I Z2574934431 [2,0,0,0,0,0|2,0,0]=4 515 B9R1.15 NCC1=C(C=CC=C1)O Z993991142 [2,0,0,0,0,0|2,0,0]=4 516 B9R1.15 OCC1=C(C=CC=C1)Br Z335245004 [2,0,0,0,0,0|2,0,0]=4 517 B9R1.15 OCC1=C(C=CC=C1)Cl Z104476786 [2,0,0,0,0,0|2,0,0]=4 518 B9R1.15 OCC1=C(C=CC=C1)F Z104495204 [2,0,0,0,0,0|2,0,0]=4 519 B9R1.15 OCC1=C(C=CC=C1)I Z57472670 [2,0,0,0,0,0|2,0,0]=4 520 B9R1.15 OCC1=C(C=CC=C1)O Z335244902 [2,0,0,0,0,0|2,0,0]=4 521 B9R1.15 SCC1=C(C=CC=C1)Cl Z55948221 [2,0,0,0,0,0|2,0,0]=4 522 B9R1.69 CC1=C(C=C(C=C1)Cl)N Z104479890 [2,0,0,0,0,0|2,0,0]=4 523 B9R1.69 CC1=C(C=C(C=C1)Cl)O Z384970604 [2,0,0,0,0,0|2,0,0]=4 524 B9R1.69 CC1=C(C=C(C=C1)F)Br Z168880596 [2,0,0,0,0,0|2,0,0]=4 525 B9R1.69 CC1=C(C=C(C=C1)F)N Z104477984 [2,0,0,0,0,0|2,0,0]=4 526 B9R1.69 CC1=C(C=C(C=C1)I)N Z414834730 [2,0,0,0,0,0|2,0,0]=4 527 B9R1.69 CC1=C(C=C(C=C1)N)Br Z285720874 [2,0,0,0,0,0|2,0,0]=4 528 B9R1.69 CC1=C(C=C(C=C1)N)C Z104472552 [2,0,0,0,0,0|1,0,0]=3 529 B9R1.69 CC1=C(C=C(C=C1)N)Cl Z57127543 [2,0,0,0,0,0|2,0,0]=4 530 B9R1.69 CC1=C(C=C(C=C1)N)F Z104477330 [2,0,0,0,0,0|2,0,0]=4 531 B9R1.69 CC1=C(C=C(C=C1)N)I Z56926636 [2,0,0,0,0,0|2,0,0]=4 532 B9R1.69 CC1=C(C=C(C=C1)N)N Z57825344 [2,0,0,0,0,0|2,0,0]=4 533 B9R1.69 CC1=C(C=C(C=C1)N)O Z944939438 [2,0,0,0,0,0|2,0,0]=4 534 B9R1.69 CC1=C(C=C(C=C1)O)C Z104477218 [2,0,0,0,0,0|0,0,0]=2 535 B9R1.69 CC1=C(C=C(C=N1)O)Br Z1198234267 [2,0,0,0,0,0|2,0,0]=4 536 B9R1.69 CC1=C(C=C(N=C1)N)C Z1198182514 [2,0,0,0,0,0|2,0,0]=4 537 B9R1.69 CC1=C(C=CC(=C1)Br)Br Z1262253894 [2,0,0,0,0,0|2,0,0]=4 538 B9R1.69 CC1=C(C=CC(=C1)Br)I Z1269231220 [2,0,0,0,0,0|2,0,0]=4 539 B9R1.69 CC1=C(C=CC(=C1)Br)O Z57203793 [2,0,0,0,0,0|2,0,0]=4 540 B9R1.69 CC1=C(C=CC(=C1)Cl)N Z104474180 [2,0,0,0,0,0|2,0,0]=4 541 B9R1.69 CC1=C(C=CC(=C1)Cl)O Z104477908 [2,0,0,0,0,0|2,0,0]=4 542 B9R1.69 CC1=C(C=CC(=C1)F)O Z384970672 [2,0,0,0,0,0|2,0,0]=4 543 B9R1.69 CC1=C(C=CC(=C1)I)N Z56960244 [2,0,0,0,0,0|2,0,0]=4 544 B9R1.69 CC1=C(C=CC(=C1)N)Br Z104476134 [2,0,0,0,0,0|2,0,0]=4 545 B9R1.69 CC1=C(C=CC(=C1)N)Cl Z2471262583 [2,0,0,0,0,0|2,0,0]=4 546 B9R1.69 CC1=C(C=CC(=C1)O)Br Z401597308 [2,0,0,0,0,0|1,0,0]=3 547 B9R1.69 CC1=C(C=CC(=C1)O)Cl Z104477910 [2,0,0,0,0,0|1,0,0]=3 548 B9R1.69 CC1=C(C=CC(=C1)O)F Z1021305330 [2,0,0,0,0,0|1,0,0]=3 549 B9R1.69 CC1=C(C=CC(=C1)O)I Z1269160508 [2,0,0,0,0,0|1,0,0]=3 550 B9R1.69 CC1=C(C=NC(=C1)O)I Z1269231181 [2,0,0,0,0,0|2,0,0]=4 551 B9R1.69 CC1=C(N=C(C=N1)O)C Z1255400771 [2,0,0,0,0,0|2,0,0]=4 552 B9R1.69 CC1=C(N=CC(=C1)N)C Z1198174887 [2,0,0,0,0,0|2,0,0]=4 553 B9R1.69 CC1=C(N=NC(=C1)O)C Z1258992450 [2,0,0,0,0,0|2,0,0]=4 554 B9R1.69 CC1=CC(=C(C=C1)C)C Z104476700 [2,0,0,0,0,0|1,0,0]=3 555 B9R1.69 CC1=CC(=C(C=C1)C)N Z57127441 [2,0,0,0,0,0|2,0,0]=4 556 B9R1.69 CC1=CC(=C(C=C1)C)O Z104477216 [2,0,0,0,0,0|2,0,0]=4 557 B9R1.69 CC1=CC(=C(C=C1)N)C Z57127436 [2,0,0,0,0,0|2,0,0]=4 558 B9R1.69 CC1=CC(=O)C=CC1=O Z57248271 [2,0,0,0,0,0|1,0,1]=4 559 B9R1.69 NC1=C(C=C(C=C1)O)Br Z1198266788 [2,0,0,0,0,0|2,0,0]=4 560 B9R1.69 NC1=C(C=C(C=C1)O)I Z1874937257 [2,0,0,0,0,0|2,0,0]=4 561 B9R1.69 NC1=C(C=C(C=C1)O)N Z2787258827 [2,0,0,0,0,0|2,0,0]=4 562 B9R1.69 NC1=C(C=C(C=C1)O)O Z1741980625 [2,0,0,0,0,0|2,0,0]=4 563 B9R1.69 NC1=C(C=CC(=C1)O)Br Z1198218415 [2,0,0,0,0,0|2,0,0]=4 564 B9R1.69 NC1=C(C=CC(=C1)O)Cl Z1203578249 [2,0,0,0,0,0|2,0,0]=4 565 B9R1.69 NC1=C(C=CC(=C1)O)F Z1201624911 [2,0,0,0,0,0|2,0,0]=4 566 B9R1.69 OC1=CC(=C(C=C1)Br)F Z1154597041 [2,0,0,0,0,0|2,0,0]=4 567 B9R1.69 OC1=CC(=C(C=C1)Cl)Cl Z104477762 [2,0,0,0,0,0|2,0,0]=4 568 B9R1.69 OC1=CC(=C(C=C1)F)Cl Z104477690 [2,0,0,0,0,0|2,0,0]=4 569 B9R1.69 OC1=CC(=C(C=C1)F)F Z56347116 [2,0,0,0,0,0|2,0,0]=4 570 B9R1.69 OC1=CC(=C(C=C1)O)O Z1255438414 [2,0,0,0,0,0|2,0,0]=4 571 B11R1.3 CC(C)C1=CC=C(C=C1)C#N Z56964596 [1,1,0,0,0,0|1,0,0]=3 572 B11R1.3 CC(C)C1=CC=C(C=C1)C=O Z104476006 [1,1,0,0,0,0|0,0,1]=3 573 B11R1.3 CC(C)C1=CC=C(C=C1)CN Z54845985 [1,1,0,0,0,0|1,0,0]=3 574 B11R1.3 CC(C)C1=CC=C(C=C1)CO Z56347221 [1,1,0,0,0,0|0,0,0]=2 575 B11R1.3 CC(C)C1=CN=C(C=C1)C#N Z1255468507 [1,1,0,0,0,0|2,0,0]=4 576 B11R1.3 CC(C)C1=CN=C(C=C1)CN Z5003080135 [1,1,0,0,0,0|2,0,0]=4 577 B11R1.3 CC(C)C1=NC=C(C=C1)C#N Z1255453358 [1,1,0,0,0,0|2,0,0]=4 578 B11R1.3 CC(C)C1=NC=C(C=C1)C=O Z1255402249 [1,1,0,0,0,0|1,0,1]=4 579 B11R1.3 CC(N)C1=CC=C(C=C1)C#N Z381061562 [1,1,0,0,0,0|2,0,0]=4 580 B11R1.3 CC(N)C1=CC=C(C=C1)CN Z2063791526 [1,1,0,0,0,0|2,0,0]=4 581 B11R1.3 CC(O)C1=CC=C(C=C1)C#N Z335245074 [1,1,0,0,0,0|2,0,0]=4 582 B11R1.3 CCC1=CC=C(C=C1)C(C)N Z56347251 [1,1,0,0,0,0|2,0,0]=4 583 B11R1.3 CCC1=CC=C(C=C1)[C@H](C)N Z1536943321 [1,1,0,0,0,0|2,0,0]=4 584 B11R1.3 CN(C)C1=CC=C(C=C1)C#N Z57756572 [1,1,0,0,0,0|2,0,0]=4 585 B11R1.3 CN(C)C1=CC=C(C=C1)C=O Z57127528 [1,1,0,0,0,0|1,0,1]=4 586 B11R1.3 CN(C)C1=CC=C(C=C1)CN Z90122421 [1,1,0,0,0,0|2,0,0]=4 587 B11R1.3 CN(C)C1=CC=C(C=C1)CO Z228585234 [1,1,0,0,0,0|1,0,0]=3 588 B11R1.3 CNC1=CC=C(C=C1)C(C)C Z1431904364 [1,1,0,0,0,0|1,0,0]=3 589 B11R1.3 COC1=CC=C(C=C1)C(=O)C Z53832960 [1,1,0,0,0,0|1,0,1]=4 590 B11R1.3 COC1=CC=C(C=C1)C(C)O Z335245134 [1,1,0,0,0,0|1,0,0]=3 591 B11R1.3 COC1=CC=C(C=C1)N(C)C Z57243982 [1,1,0,0,0,0|1,0,0]=3 592 B11R1.3 COC1=CC=C(C=C1)[C@@H](C)O Z360055358 [1,1,0,0,0,0|1,0,0]=3 593 B11R1.3 COC1=CC=C(C=C1)[C@H](C)O Z360055354 [1,1,0,0,0,0|1,0,0]=3 594 B11R1.3 COC1=NC=C(C=C1)C(C)N Z3083124760 [1,1,0,0,0,0|2,0,0]=4 595 B11R1.3 CSC1=CC=C(C=C1)C(C)N Z425449608 [1,1,0,0,0,0|1,1,0]=4 596 B11R1.19 CC(C)(C)C1=CC=C(C=C1)Br Z299596150 [1,1,0,0,0,0|1,0,0]=3 597 B11R1.19 CC(C)(C)C1=CC=C(C=C1)N Z104473848 [1,1,0,0,0,0|1,0,0]=3 598 B11R1.19 CC(C)(C)C1=CC=C(C=C1)O Z57127886 [1,1,0,0,0,0|0,0,0]=2 599 B11R1.19 CC(C)(C)C1=CNC(=O)C=C1 Z2284401490 [1,1,0,0,0,0|1,0,1]=4 600 B11R1.19 CC(C)(C)C1=NC=C(C=C1)N Z2935931505 [1,1,0,0,0,0|2,0,0]=4 601 B11R1.19 CC(C)(C)C1=NC=C(N=C1)O Z1255400224 [1,1,0,0,0,0|2,0,0]=4 602 B11R1.19 CC(C)(N)C1=CC=C(C=C1)Br Z406678874 [1,1,0,0,0,0|1,0,0]=3 603 B11R1.19 CC(C)(N)C1=CC=C(C=C1)Cl Z449374202 [1,1,0,0,0,0|1,0,0]=3 604 B11R1.19 CC(C)(N)C1=CC=C(C=C1)F Z449374056 [1,1,0,0,0,0|1,0,0]=3 605 B11R1.19 CC(C)(N)C1=CC=C(C=C1)I Z5225137620 [1,1,0,0,0,0|1,0,0]=3 606 B11R1.19 CC(C)(O)C1=CC=C(C=C1)Br Z449374220 [1,1,0,0,0,0|1,0,0]=3 607 B11R1.19 CC(C)(O)C1=CC=C(C=C1)O Z1198750150 [1,1,0,0,0,0|0,0,0]=2 608 B11R1.19 CC1=NC=C(C=C1)C(C)(C)O Z1095367298 [1,1,0,0,0,0|2,0,0]=4 609 B11R1.19 CS(=O)(=O)C1=CC=C(C=C1)O Z147646800 [1,1,0,0,0,0|2,0,0]=4 610 B11R1.19 OC1=CC=C(C=C1)C(F)(F)F Z56347220 [1,1,0,0,0,0|2,0,0]=4 611 B11R1.21 CC(=O)C1=CC(=C(C=C1)O)Br Z1037557930 [1,1,0,0,0,0|1,0,1]=4 612 B11R1.21 CC(=O)C1=CC(=C(C=C1)O)C Z57221419 [1,1,0,0,0,0|1,0,1]=4 613 B11R1.21 CC(=O)C1=CC(=C(C=C1)O)Cl Z57905816 [1,1,0,0,0,0|1,0,1]=4 614 B11R1.21 CC(=O)C1=CC(=C(C=C1)O)F Z385458772 [1,1,0,0,0,0|1,0,1]=4 615 B11R1.21 CC(=O)C1=CC(=C(C=C1)O)N Z1664347745 [1,1,0,0,0,0|1,0,1]=4 616 B11R1.21 CC(Br)C1=CC(=C(C=C1)Cl)Cl Z381392948 [1,1,0,0,0,0|2,0,0]=4 617 B11R1.21 CC(Br)C1=CC(=C(C=C1)F)Cl Z381393046 [1,1,0,0,0,0|2,0,0]=4 618 B11R1.21 CC(C)C1=CC(=C(C=C1)F)N Z4722235861 [1,1,0,0,0,0|1,0,0]=3 619 B11R1.21 CC(C)C1=CC(=C(C=C1)N)Cl Z1262643307 [1,1,0,0,0,0|1,0,0]=3 620 B11R1.21 CC(C)C1=CC(=C(C=C1)N)N Z1198154332 [1,1,0,0,0,0|1,0,0]=3 621 B11R1.21 CC(C)C1=CC(=C(C=C1)O)N Z57441596 [1,1,0,0,0,0|0,0,0]=2 622 B11R1.21 CC(C)C1=CNC(=O)C(=C1)Br Z4505547559 [1,1,0,0,0,0|1,0,1]=4 623 B11R1.21 CC(N)C1=CC(=C(C=C1)Br)F Z3213740225 [1,1,0,0,0,0|2,0,0]=4 624 B11R1.21 CC(N)C1=CC(=C(C=C1)Br)O Z1551939587 [1,1,0,0,0,0|2,0,0]=4 625 B11R1.21 CC(N)C1=CC(=C(C=C1)Cl)Cl Z56347253 [1,1,0,0,0,0|2,0,0]=4 626 B11R1.21 CC(N)C1=CC(=C(C=C1)Cl)F Z1198724032 [1,1,0,0,0,0|2,0,0]=4 627 B11R1.21 CC(N)C1=CC(=C(C=C1)F)Cl Z335437988 [1,1,0,0,0,0|2,0,0]=4 628 B11R1.21 CC(N)C1=CC(=C(C=C1)O)O Z4958589100 [1,1,0,0,0,0|1,0,0]=3 629 B11R1.21 CC(O)C1=CC(=C(C=C1)Br)F Z1436188584 [1,1,0,0,0,0|2,0,0]=4 630 B11R1.21 CC(O)C1=CC(=C(C=C1)Cl)Cl Z335245002 [1,1,0,0,0,0|2,0,0]=4 631 B11R1.21 CC(O)C1=CC(=C(C=C1)F)Cl Z335438560 [1,1,0,0,0,0|2,0,0]=4 632 B11R1.21 CC(O)C1=CC(=C(C=C1)F)F Z228586306 [1,1,0,0,0,0|2,0,0]=4 633 B11R1.21 CC1=C(C=C(C=C1)C(C)C)O Z104496566 [1,1,0,0,0,0|1,0,0]=3 634 B11R1.21 CC1=C(C=C(C=C1)C(C)N)C Z285186052 [1,1,0,0,0,0|2,0,0]=4 635 B11R1.21 CC1=C(C=C(C=C1)C(C)N)F Z363990474 [1,1,0,0,0,0|2,0,0]=4 636 B11R1.21 CC1=C(C=C(C=C1)[C@@H](C)O)C Z360055396 [1,1,0,0,0,0|2,0,0]=4 637 B11R1.21 CC1=C(C=C(C=C1)[C@H](C)O)C Z360055400 [1,1,0,0,0,0|2,0,0]=4 638 B11R1.21 CC1=C(C=CC(=C1)C(C)N)F Z1359429587 [1,1,0,0,0,0|2,0,0]=4 639 B11R1.21 CC1=C(C=CC(=C1)N(C)C)O Z4988450441 [1,1,0,0,0,0|1,0,0]=3 640 B11R1.21 CN(C)C1=CC(=C(C=C1)I)Br Z1995177367 [1,1,0,0,0,0|2,0,0]=4 641 B11R1.21 C[C@@H](N)C1=CC(=C(C=C1)F)Br Z1696091701 [1,1,0,0,0,0|2,0,0]=4 642 B11R1.21 C[C@@H](N)C1=CC(=C(C=C1)F)Cl Z1127664214 [1,1,0,0,0,0|2,0,0]=4 643 B11R1.21 C[C@@H](O)C1=CC(=C(C=C1)Cl)Cl Z360055342 [1,1,0,0,0,0|2,0,0]=4 644 B11R1.21 C[C@@H](O)C1=CC(=C(C=C1)F)Cl Z1127664454 [1,1,0,0,0,0|2,0,0]=4 645 B11R1.21 C[C@@H](O)C1=CC(=C(C=C1)F)F Z360055916 [1,1,0,0,0,0|2,0,0]=4 646 B11R1.21 C[C@H](N)C1=CC(=C(C=C1)Cl)Cl Z1962166972 [1,1,0,0,0,0|2,0,0]=4 647 B11R1.21 C[C@H](N)C1=CC(=C(C=C1)F)Br Z360056272 [1,1,0,0,0,0|2,0,0]=4 648 B11R1.21 C[C@H](O)C1=CC(=C(C=C1)Cl)Cl Z360055344 [1,1,0,0,0,0|2,0,0]=4 649 B11R1.21 C[C@H](O)C1=CC(=C(C=C1)F)Br Z360056260 [1,1,0,0,0,0|2,0,0]=4 650 B11R1.21 C[C@H](O)C1=CC(=C(C=C1)F)Cl Z1127664340 [1,1,0,0,0,0|2,0,0]=4 651 B11R1.21 C[C@H](O)C1=CC(=C(C=C1)F)F Z360055912 [1,1,0,0,0,0|2,0,0]=4 652 B11R1.22 CC(C#N)C1=CC=C(C=C1)Br Z1269233209 [1,1,0,0,0,0|1,0,1]=4 653 B11R1.22 CC(C#N)C1=CC=C(C=C1)Cl Z1198147665 [1,1,0,0,0,0|1,0,1]=4 654 B11R1.22 CC(C=O)C1=CC=C(C=C1)Br Z1269114153 [1,1,0,0,0,0|1,0,1]=4 655 B11R1.22 CC(C=O)C1=CC=C(C=C1)Cl Z1198334992 [1,1,0,0,0,0|1,0,1]=4 656 B11R1.22 CC(C=O)C1=CC=C(C=C1)F Z1255400140 [1,1,0,0,0,0|1,0,1]=4 657 B11R1.22 CC(CN)C1=CC=C(C=C1)Br Z2906280360 [1,1,0,0,0,0|1,0,0]=3 658 B11R1.22 CC(CN)C1=CC=C(C=C1)F Z415654954 [1,1,0,0,0,0|1,0,0]=3 659 B11R1.22 CC(CO)C1=CC=C(C=C1)F Z1255440783 [1,1,0,0,0,0|1,0,0]=3 660 B11R1.22 CC1=CC=C(C=C1)C(C)C#N Z415654732 [1,1,0,0,0,0|1,0,1]=4 661 B11R1.22 CC1=CC=C(C=C1)C(C)C=O Z1198150045 [1,1,0,0,0,0|1,0,1]=4 662 B11R1.22 CC1=CC=C(C=C1)C(C)CN Z415654970 [1,1,0,0,0,0|1,0,0]=3 663 B11R1.22 CC1=CC=C(C=C1)C(N)CF Z2474474695 [1,1,0,0,0,0|2,0,0]=4 664 B11R1.22 CC1=CC=C(C=C1)C(N)CO Z5087131901 [1,1,0,0,0,0|2,0,0]=4 665 B11R1.22 CC1=CC=C(C=C1)C(O)CN Z336086536 [1,1,0,0,0,0|2,0,0]=4 666 B11R1.22 CC1=CC=C(C=C1)[C@@H](O)CN Z1895741843 [1,1,0,0,0,0|2,0,0]=4 667 B11R1.22 CCC(=O)C1=CC=C(C=C1)O Z104499156 [1,1,0,0,0,0|1,0,1]=4 668 B11R1.22 CCC(C)C1=CC=C(C=C1)O Z104484172 [1,1,0,0,0,0|0,0,0]=2 669 B11R1.22 CCC(N)C1=CC=C(C=C1)Br Z90662172 [1,1,0,0,0,0|2,0,0]=4 670 B11R1.22 CCC(N)C1=CC=C(C=C1)C Z90662186 [1,1,0,0,0,0|2,0,0]=4 671 B11R1.22 CCC(N)C1=CC=C(C=C1)Cl Z221421644 [1,1,0,0,0,0|2,0,0]=4 672 B11R1.22 CCC(O)C1=CC=C(C=C1)C Z228586316 [1,1,0,0,0,0|2,0,0]=4 673 B11R1.22 CCC(O)C1=CC=C(C=C1)Cl Z228586168 [1,1,0,0,0,0|2,0,0]=4 674 B11R1.22 CCC(O)C1=CC=C(C=C1)F Z228586174 [1,1,0,0,0,0|2,0,0]=4 675 B11R1.22 CCC(O)C1=CC=C(C=C1)O Z228586170 [1,1,0,0,0,0|1,0,0]=3 676 B11R1.22 CC[C@@H](N)C1=CC=C(C=C1)F Z1626921240 [1,1,0,0,0,0|2,0,0]=4 677 B11R1.22 CC[C@H](N)C1=CC=C(C=C1)F Z1625822291 [1,1,0,0,0,0|2,0,0]=4 678 B11R1.22 CNC(=O)C1=CC=C(C=C1)O Z183855140 [1,1,0,0,0,0|1,0,1]=4 679 B11R1.22 CNC(C)C1=CC=C(C=C1)C Z239628686 [1,1,0,0,0,0|1,0,0]=3 680 B11R1.22 CNC(C)C1=CC=C(C=C1)Cl Z159528172 [1,1,0,0,0,0|1,0,0]=3 681 B11R1.22 CNC(C)C1=CC=C(C=C1)F Z166605480 [1,1,0,0,0,0|1,0,0]=3 682 B11R1.22 CNC(C)C1=CC=C(C=C1)O Z316170374 [1,1,0,0,0,0|0,0,0]=2 683 B11R1.22 CNC(C)C1=NC=C(C=C1)Cl Z1392162358 [1,1,0,0,0,0|2,0,0]=4 684 B11R1.22 COC(=O)C1=CC=C(C=C1)O Z19674820 [1,1,0,0,0,0|1,0,1]=4 685 B11R1.22 NC(CF)C1=CC=C(C=C1)Cl Z1510155807 [1,1,0,0,0,0|2,0,0]=4 686 B11R1.22 NC(CO)C1=CC=C(C=C1)Br Z2188171600 [1,1,0,0,0,0|2,0,0]=4 687 B11R1.22 NC(CO)C1=CC=C(C=C1)F Z1268152327 [1,1,0,0,0,0|2,0,0]=4 688 B11R1.22 NCC(=O)C1=CC=C(C=C1)O Z1198177329 [1,1,0,0,0,0|1,0,1]=4 689 B11R1.22 NCC(O)C1=CC=C(C=C1)Cl Z295878600 [1,1,0,0,0,0|2,0,0]=4 690 B11R1.22 O=C(CCl)C1=CC=C(C=C1)O Z104378296 [1,1,0,0,0,0|1,0,1]=4 691 B11R1.37 CCC1=C(C=C(C=C1)F)C=O Z3243590902 [1,1,0,0,0,0|1,0,1]=4 692 B11R1.37 CCC1=C(C=C(C=C1)N)C#N Z4616782936 [1,1,0,0,0,0|1,0,1]=4 693 B11R1.37 CCC1=C(C=C(C=C1)N)CC Z1820078294 [1,1,0,0,0,0|1,0,0]=3 694 B11R1.37 CCC1=C(C=C(C=C1)N)OC Z1255492864 [1,1,0,0,0,0|1,0,0]=3 695 B11R1.37 CCC1=C(C=CC(=C1)O)C=O Z1255421932 [1,1,0,0,0,0|1,0,1]=4 696 B11R1.37 CNC1=C(C=C(C=C1)Cl)CN Z5716013839 [1,1,0,0,0,0|2,0,0]=4 697 B11R1.37 CNC1=C(C=C(C=C1)F)OC Z821174816 [1,1,0,0,0,0|2,0,0]=4 698 B11R1.37 CNC1=C(C=CC(=C1)C)OC Z3896820105 [1,1,0,0,0,0|2,0,0]=4 699 B11R1.37 CNC1=C(C=CC(=C1)Cl)OC Z1267881747 [1,1,0,0,0,0|2,0,0]=4 700 B11R1.37 COC1=C(C=C(C=C1)Br)CN Z1262250759 [1,1,0,0,0,0|2,0,0]=4 701 B11R1.37 COC1=C(C=C(C=C1)Br)CO Z94602021 [1,1,0,0,0,0|2,0,0]=4 702 B11R1.37 COC1=C(C=C(C=C1)Br)OC Z57462741 [1,1,0,0,0,0|2,0,0]=4 703 B11R1.37 COC1=C(C=C(C=C1)C)CCl Z90122765 [1,1,0,0,0,0|2,0,0]=4 704 B11R1.37 COC1=C(C=C(C=C1)C)CN Z1217910571 [1,1,0,0,0,0|2,0,0]=4 705 B11R1.37 COC1=C(C=C(C=C1)C)OC Z54180242 [1,1,0,0,0,0|2,0,0]=4 706 B11R1.37 COC1=C(C=C(C=C1)Cl)CCl Z104341162 [1,1,0,0,0,0|2,0,0]=4 707 B11R1.37 COC1=C(C=C(C=C1)Cl)CN Z426041502 [1,1,0,0,0,0|2,0,0]=4 708 B11R1.37 COC1=C(C=C(C=C1)Cl)CO Z381396392 [1,1,0,0,0,0|2,0,0]=4 709 B11R1.37 COC1=C(C=C(C=C1)Cl)OC Z361900384 [1,1,0,0,0,0|2,0,0]=4 710 B11R1.37 COC1=C(C=C(C=C1)F)CCl Z57040488 [1,1,0,0,0,0|2,0,0]=4 711 B11R1.37 COC1=C(C=C(C=C1)F)CN Z1741785971 [1,1,0,0,0,0|2,0,0]=4 712 B11R1.37 COC1=C(C=C(C=C1)N)CN Z2235386835 [1,1,0,0,0,0|2,0,0]=4 713 B11R1.37 COC1=C(C=C(C=C1)N)CO Z385458152 [1,1,0,0,0,0|2,0,0]=4 714 B11R1.37 COC1=C(C=C(C=C1)N)OC Z1245635761 [1,1,0,0,0,0|2,0,0]=4 715 B11R1.37 COC1=C(C=C(C=C1)N)SC Z1551950318 [1,1,0,0,0,0|2,0,0]=4 716 B11R1.37 COC1=C(C=C(C=C1)O)C#N Z1255397803 [1,1,0,0,0,0|1,0,1]=4 717 B11R1.37 COC1=C(C=CC(=C1)Br)CN Z3276532037 [1,1,0,0,0,0|2,0,0]=4 718 B11R1.37 COC1=C(C=CC(=C1)C)CN Z972654296 [1,1,0,0,0,0|2,0,0]=4 719 B11R1.37 COC1=C(C=CC(=C1)Cl)CN Z851800312 [1,1,0,0,0,0|2,0,0]=4 720 B11R1.37 COC1=C(C=CC(=C1)O)C#N Z336080690 [1,1,0,0,0,0|1,0,1]=4 721 B11R1.37 COC1=C(C=CC(=C1)O)C=O Z197510770 [1,1,0,0,0,0|1,0,1]=4 722 B11R1.37 CSC1=C(C=C(C=C1)F)CN Z1147179311 [1,1,0,0,0,0|2,0,0]=4 723 B11R1.37 CSC1=C(C=CC(=C1)C)CN Z972656244 [1,1,0,0,0,0|2,0,0]=4 724 B11R1.37 NC1=CC(=C(C=C1)CO)CO Z2522353605 [1,1,0,0,0,0|2,0,0]=4 725 B11R1.37 OCC1=C(C=C(C=C1)Br)CO Z1269113456 [1,1,0,0,0,0|2,0,0]=4 726 B11R1.37 OCC1=C(C=C(C=C1)I)CO Z4527381308 [1,1,0,0,0,0|2,0,0]=4 727 B11R1.81 CC1=C(C=CC(=C1)Br)CC#N Z1269226853 [1,1,0,0,0,0|1,0,1]=4 728 B11R1.81 CC1=C(C=CC(=C1)Cl)CC#N Z1198263432 [1,1,0,0,0,0|1,0,1]=4 729 B11R1.81 CC1=C(C=CC(=C1)F)CC#N Z1198164414 [1,1,0,0,0,0|1,0,1]=4 730 B11R1.81 CC1=C(C=CC(=C1)F)CCN Z959351734 [1,1,0,0,0,0|1,0,0]=3 731 B11R1.81 CC1=CC(=C(C=C1)CC=O)C Z1020787114 [1,1,0,0,0,0|1,0,1]=4 732 B11R1.81 CC1=CC(=C(C=C1)CCN)Br Z4658970056 [1,1,0,0,0,0|2,0,0]=4 733 B11R1.81 CC1=CC(=C(C=C1)CCN)C Z285143724 [1,1,0,0,0,0|1,0,0]=3 734 B11R1.81 CC1=CC(=C(C=C1)CCN)Cl Z5010254329 [1,1,0,0,0,0|2,0,0]=4 735 B11R1.81 CC1=CC(=C(N=C1)CCO)C Z1504687585 [1,1,0,0,0,0|2,0,0]=4 736 B11R1.81 CCNC1=C(C=C(C=C1)C)C Z744754524 [1,1,0,0,0,0|1,0,0]=3 737 B11R1.81 CCNC1=C(C=C(C=C1)C)N Z394649004 [1,1,0,0,0,0|2,0,0]=4 738 B11R1.81 CCNC1=C(C=C(C=C1)Cl)Cl Z4201362307 [1,1,0,0,0,0|2,0,0]=4 739 B11R1.81 CCNC1=C(C=C(C=C1)F)N Z359511462 [1,1,0,0,0,0|2,0,0]=4 740 B11R1.81 CCOC1=C(C=C(C=C1)Br)N Z330803642 [1,1,0,0,0,0|2,0,0]=4 741 B11R1.81 CCOC1=C(C=C(C=C1)Cl)N Z234894877 [1,1,0,0,0,0|2,0,0]=4 742 B11R1.81 CCOC1=C(C=C(C=C1)F)Br Z55027547 [1,1,0,0,0,0|2,0,0]=4 743 B11R1.81 CCOC1=C(C=C(C=C1)F)N Z332375936 [1,1,0,0,0,0|2,0,0]=4 744 B11R1.81 CCOC1=C(C=C(C=C1)N)C Z385462628 [1,1,0,0,0,0|1,0,0]=3 745 B11R1.81 CCOC1=C(C=C(C=C1)N)Cl Z239873338 [1,1,0,0,0,0|2,0,0]=4 746 B11R1.81 CCOC1=C(C=C(C=C1)N)F Z362635048 [1,1,0,0,0,0|2,0,0]=4 747 B11R1.81 CCOC1=C(N=C(C=C1)N)C Z2583036218 [1,1,0,0,0,0|2,0,0]=4 748 B11R1.81 CCSC1=C(C=C(C=C1)Cl)N Z319450478 [1,1,0,0,0,0|2,0,0]=4 749 B11R1.81 CNCC1=C(C=C(C=C1)Br)Cl Z448247304 [1,1,0,0,0,0|2,0,0]=4 750 B11R1.81 CNCC1=C(C=C(C=C1)C)Br Z5345778789 [1,1,0,0,0,0|2,0,0]=4 751 B11R1.81 CNCC1=C(C=C(C=C1)C)C Z89283370 [1,1,0,0,0,0|1,0,0]=3 752 B11R1.81 CNCC1=C(C=C(C=C1)C)Cl Z5465034350 [1,1,0,0,0,0|2,0,0]=4 753 B11R1.81 CNCC1=C(C=C(C=C1)Cl)Br Z5214955384 [1,1,0,0,0,0|2,0,0]=4 754 B11R1.81 CNCC1=C(C=C(C=C1)Cl)Cl Z56959746 [1,1,0,0,0,0|2,0,0]=4 755 B11R1.81 CNCC1=C(C=C(C=C1)Cl)F Z385446922 [1,1,0,0,0,0|2,0,0]=4 756 B11R1.81 CNCC1=C(C=C(C=C1)F)Br Z1836652109 [1,1,0,0,0,0|2,0,0]=4 757 B11R1.81 CNCC1=C(C=C(C=C1)F)C Z4189742481 [1,1,0,0,0,0|1,0,0]=3 758 B11R1.81 CNCC1=C(C=C(C=C1)F)Cl Z138105392 [1,1,0,0,0,0|2,0,0]=4 759 B11R1.81 CNCC1=C(C=C(C=C1)F)F Z102767946 [1,1,0,0,0,0|2,0,0]=4 760 B11R1.81 COCC1=C(C=C(C=C1)Br)F Z823854350 [1,1,0,0,0,0|2,0,0]=4 761 B11R1.81 COCC1=C(C=C(C=C1)O)F Z1551937213 [1,1,0,0,0,0|1,0,0]=3 762 B11R1.81 COCC1=C(N=C(C=C1)N)C Z1262680326 [1,1,0,0,0,0|2,0,0]=4 763 B11R1.81 NC1=CC(=C(C=C1)CCO)F Z1255436579 [1,1,0,0,0,0|2,0,0]=4 764 B11R1.81 NCCC1=C(C=C(C=C1)Br)Cl Z4668045321 [1,1,0,0,0,0|2,0,0]=4 765 B11R1.81 NCCC1=C(C=C(C=C1)Br)F Z405046450 [1,1,0,0,0,0|2,0,0]=4 766 B11R1.81 NCCC1=C(C=C(C=C1)Cl)Br Z2941505410 [1,1,0,0,0,0|2,0,0]=4 767 B11R1.81 NCCC1=C(C=C(C=C1)F)Cl Z1267881686 [1,1,0,0,0,0|2,0,0]=4 768 B11R1.81 NCCC1=C(C=C(C=C1)F)F Z285143768 [1,1,0,0,0,0|2,0,0]=4 769 B11R1.81 NCCC1=C(C=C(C=C1)O)O Z1166113553 [1,1,0,0,0,0|1,0,0]=3 770 B11R1.81 OCCC1=C(C=C(C=C1)F)F Z1020790240 [1,1,0,0,0,0|2,0,0]=4 771 B11R1.81 OCCC1=C(C=C(C=C1)O)O Z1513827466 [1,1,0,0,0,0|1,0,0]=3 772 B11R1.277 CC1=C(C=C(C(=C1)Br)F)CN Z2732637916 [1,1,0,0,0,0|2,0,0]=4 773 B11R1.277 CC1=C(C=C(C(=C1)F)Br)CO Z3243485928 [1,1,0,0,0,0|2,0,0]=4 774 B11R1.277 CC1=C(C=C(C(=C1)O)Cl)C#N Z2732498460 [1,1,0,0,0,0|1,0,1]=4 775 B11R1.277 CC1=CC(=C(C=C1C=O)C)O Z1198162095 [1,1,0,0,0,0|1,0,1]=4 776 B11R1.277 CC1=CC(=C(C=C1CO)N)C Z1250187889 [1,1,0,0,0,0|2,0,0]=4 777 B11R1.277 CCC1=C(C=C(C(=C1)Cl)Cl)O Z1513869088 [1,1,0,0,0,0|2,0,0]=4 778 B11R1.277 CCC1=C(C=C(C(=C1)N)F)F Z5628761648 [1,1,0,0,0,0|2,0,0]=4 779 B11R1.277 CN1C=C(C(=O)C=C1CN)O Z1354602487 [1,1,0,0,0,0|2,0,0]=4 780 B11R1.277 COC1=C(C=C(C(=C1)C)N)C Z1096180439 [1,1,0,0,0,0|2,0,0]=4 781 B11R1.277 COC1=C(C=C(C(=C1)Cl)N)C Z1262631656 [1,1,0,0,0,0|2,0,0]=4 782 B11R1.278 CC1=C(C=CC(=C1Cl)Cl)CN Z4934286453 [1,1,0,0,0,0|2,0,0]=4 783 B11R1.278 CC1=C(C=CC(=C1Cl)Cl)CO Z2307001332 [1,1,0,0,0,0|2,0,0]=4 784 B11R1.278 CC1=C(C=CC(=C1O)O)C=O Z1416171282 [1,1,0,0,0,0|1,0,1]=4 785 B11R1.278 CCC1=C(C(=C(C=C1)F)N)F Z3679963031 [1,1,0,0,0,0|2,0,0]=4 786 B11R1.278 CCN1C=CC(=O)C(=C1C)O Z1198157763 [1,1,0,0,0,0|1,0,1]=4 787 B11R1.278 NCC1=C(C(=C(C=C1)O)O)O Z4780998599 [1,1,0,0,0,0|2,0,0]=4 788 B11R1.279 CC1=C(C=CC(=C1)C#N)CO Z1255402462 [1,1,0,0,0,0|2,0,0]=4 789 B11R1.279 CCC1=C(C=C(C=C1)C=O)F Z2472525344 [1,1,0,0,0,0|1,0,1]=4 790 B11R1.279 CCC1=CC(=C(C=C1)CC)Br Z1203016482 [1,1,0,0,0,0|2,0,0]=4 791 B11R1.279 CCC1=CC(=C(C=C1)CC)N Z1276502928 [1,1,0,0,0,0|2,0,0]=4 792 B11R1.279 CNC1=C(C=C(C=C1)OC)I Z1878448486 [1,1,0,0,0,0|2,0,0]=4 793 B11R1.279 COC1=C(C=C(C=C1)C#N)C Z57900343 [1,1,0,0,0,0|2,0,0]=4 794 B11R1.279 COC1=C(C=C(C=C1)C=O)C Z199532230 [1,1,0,0,0,0|1,0,1]=4 795 B11R1.279 COC1=C(C=C(C=C1)CN)C Z446021090 [1,1,0,0,0,0|2,0,0]=4 796 B11R1.279 COC1=C(C=C(C=C1)CO)Cl Z385370262 [1,1,0,0,0,0|2,0,0]=4 797 B11R1.279 COC1=C(N=C(C=C1)CO)C Z1504670506 [1,1,0,0,0,0|2,0,0]=4 798 B11R1.279 COC1=CC(=C(C=C1)C=O)C Z385370020 [1,1,0,0,0,0|1,0,1]=4 799 B11R1.279 COC1=CC(=C(C=C1)CN)C Z1190318959 [1,1,0,0,0,0|1,0,0]=3 800 B11R1.279 COC1=CC(=C(C=C1)CN)Cl Z5510271229 [1,1,0,0,0,0|2,0,0]=4 801 B11R1.279 COC1=CC(=C(C=C1)CN)F Z1416282396 [1,1,0,0,0,0|2,0,0]=4 802 B11R1.279 COC1=CC(=C(C=C1)CN)O Z2472857389 [1,1,0,0,0,0|2,0,0]=4 803 B11R1.279 COC1=CC(=C(C=C1)OC)Br Z299596102 [1,1,0,0,0,0|2,0,0]=4 804 B11R1.279 COC1=CC(=C(C=C1)OC)N Z56973491 [1,1,0,0,0,0|2,0,0]=4 805 B11R1.279 CSC1=C(C=C(C=C1)CN)C Z732208378 [1,1,0,0,0,0|2,0,0]=4 806 B11R1.279 CSC1=C(C=C(C=C1)CO)Cl Z1436298631 [1,1,0,0,0,0|2,0,0]=4 807 B11R1.464 CC1=C(C(=CC(=C1)Br)F)CN Z3766635495 [1,1,0,0,0,0|2,0,0]=4 808 B11R1.464 CC1=C(C(=CC(=C1)O)O)C=O Z1255461254 [1,1,0,0,0,0|1,0,1]=4 809 B11R1.464 CC1=CC(=C(C(=C1)C)CN)C Z239626566 [1,1,0,0,0,0|2,0,0]=4 810 B11R1.464 CC1=CC(=C(C(=C1)C)CO)C Z335244802 [1,1,0,0,0,0|2,0,0]=4 811 B11R1.464 CC1=CC(=CC(=C1C=O)C)O Z1201617288 [1,1,0,0,0,0|1,0,1]=4 812 B11R1.464 CC1=CC(=CC(=C1CN)C)Br Z415735030 [1,1,0,0,0,0|2,0,0]=4 813 B11R1.464 CC1=CC(=CC(=C1CN)C)F Z2865656447 [1,1,0,0,0,0|2,0,0]=4 814 B11R1.464 CC1=CC(=CC(=C1CN)C)N Z4670121016 [1,1,0,0,0,0|2,0,0]=4 815 B11R1.464 CC1=CC(=CC(=C1CN)C)O Z4911926266 [1,1,0,0,0,0|1,0,0]=3 816 B11R1.464 CC1=CC(=CC(=C1CO)C)Br Z1269182923 [1,1,0,0,0,0|2,0,0]=4 817 B11R1.464 COC1=C(C=C(C=C1C)C)N Z955139918 [1,1,0,0,0,0|2,0,0]=4 818 B11R1.464 COC1=C(C=C(C=C1C)N)C Z57479387 [1,1,0,0,0,0|2,0,0]=4 819 B11R1.464 COC1=C(C=C(C=C1C)N)I Z2755982885 [1,1,0,0,0,0|2,0,0]=4 820 B11R1.464 COC1=C(C=C(C=C1F)O)Cl Z1198232506 [1,1,0,0,0,0|2,0,0]=4 821 B11R1.464 COC1=C(C=C(C=C1F)O)F Z1255416171 [1,1,0,0,0,0|2,0,0]=4 822 B11R1.464 NCC1=C(C=C(C=C1F)O)F Z4511533068 [1,1,0,0,0,0|2,0,0]=4 823 B11R1.53 CC(C)C1=C(C=CC=C1)C=O Z1171158413 [1,1,0,0,0,0|0,0,1]=3 824 B11R1.53 CC(C)C1=C(C=CC=N1)C=O Z1255398088 [1,1,0,0,0,0|1,0,1]=4 825 B11R1.53 CC(C)C1=C(C=CN=C1)C=O Z1255393915 [1,1,0,0,0,0|1,0,1]=4 826 B11R1.53 CC(C)C1=C(C=CN=C1)CO Z2732461792 [1,1,0,0,0,0|1,0,0]=3 827 B11R1.53 CC(C)C1=C(N=CC=C1)CN Z4927326966 [1,1,0,0,0,0|1,0,0]=3 828 B11R1.53 CCC1=C(C=CN=C1)C(C)N Z1480856824 [1,1,0,0,0,0|2,0,0]=4 829 B11R1.53 CN(C)C1=C(C=CC=C1)C#N Z335294592 [1,1,0,0,0,0|1,0,1]=4 830 B11R1.53 CN(C)C1=C(C=CC=C1)C=O Z335439980 [1,1,0,0,0,0|1,0,1]=4 831 B11R1.53 CN(C)C1=C(C=CC=C1)CN Z1162448851 [1,1,0,0,0,0|1,0,0]=3 832 B11R1.53 CN(C)C1=C(C=CC=C1)CO Z362022090 [1,1,0,0,0,0|1,0,0]=3 833 B11R1.53 CNC1=C(C=CC=C1)C(C)C Z335263032 [1,1,0,0,0,0|0,0,0]=2 834 B11R1.53 CNC1=C(N=CC=C1)N(C)C Z1082871914 [1,1,0,0,0,0|2,0,0]=4 835 B11R1.53 COC1=C(C=CC=C1)C(C)N Z57057709 [1,1,0,0,0,0|1,0,0]=3 836 B11R1.53 COC1=C(C=CC=C1)[C@@H](C)O Z360055200 [1,1,0,0,0,0|1,0,0]=3 837 B11R1.53 COC1=C(C=CC=C1)[C@H](C)O Z360055194 [1,1,0,0,0,0|1,0,0]=3 838 B11R1.53 COC1=C(C=CN=C1)C(C)N Z1216820428 [1,1,0,0,0,0|2,0,0]=4 839 B11R1.53 CSC1=C(C=CC=C1)C(=O)C Z732207820 [1,1,0,0,0,0|1,0,1]=4 840 B11R1.53 CSC1=C(C=CC=C1)C(C)O Z1157829809 [1,1,0,0,0,0|1,0,0]=3 841 B11R1.53 CSC1=C(C=CC=C1)[C@@H](C)N Z1993522688 [1,1,0,0,0,0|1,0,0]=3 842 B11R1.87 CC(C)(C)C1=C(C=CC=C1)I Z1217194897 [1,1,0,0,0,0|1,0,0]=3 843 B11R1.87 CC(C)(C)C1=C(C=CC=C1)N Z104477556 [1,1,0,0,0,0|1,0,0]=3 844 B11R1.87 CC(C)(C)C1=C(C=CC=C1)O Z104485444 [1,1,0,0,0,0|1,0,0]=3 845 B11R1.87 CC(C)(C)C1=C(C=CC=N1)O Z1198153185 [1,1,0,0,0,0|2,0,0]=4 846 B11R1.87 CC(C)(C)C1=C(N=CC=C1)N Z1192017799 [1,1,0,0,0,0|2,0,0]=4 847 B11R1.87 CC(C)(N)C1=C(C=CC=C1)Br Z449374382 [1,1,0,0,0,0|1,0,0]=3 848 B11R1.87 CC(C)(N)C1=C(C=CC=C1)N Z3039027002 [1,1,0,0,0,0|1,0,0]=3 849 B11R1.87 CC(C)(N)C1=C(C=NC=C1)Cl Z2065860604 [1,1,0,0,0,0|2,0,0]=4 850 B11R1.87 CC(C)(O)C1=C(C=CC=C1)Cl Z449374184 [1,1,0,0,0,0|1,0,0]=3 851 B11R1.87 CC(C)(O)C1=C(C=CC=C1)F Z449374082 [1,1,0,0,0,0|1,0,0]=3 852 B11R1.87 CC(C)(O)C1=C(C=CN=C1)N Z1192038970 [1,1,0,0,0,0|2,0,0]=4 853 B11R1.87 CC1=C(C=CC=C1)C(C)(C)O Z449373950 [1,1,0,0,0,0|0,0,0]=2 854 B11R1.156 CC(=O)C1=C(C=CC=C1C)C Z1255450644 [1,1,0,0,0,0|1,0,1]=4 855 B11R1.156 CC(N)C1=C(C=CC=C1F)Br Z4450575797 [1,1,0,0,0,0|2,0,0]=4 856 B11R1.156 CC(N)C1=C(C=CC=C1F)Cl Z1333761730 [1,1,0,0,0,0|2,0,0]=4 857 B11R1.156 CC(N)C1=C(C=CC=C1O)F Z4448982034 [1,1,0,0,0,0|2,0,0]=4 858 B11R1.156 CC(O)C1=C(C=CC=C1F)Cl Z1171207107 [1,1,0,0,0,0|2,0,0]=4 859 B11R1.156 CC1=CC=CC(=C1C(C)N)C Z1683068007 [1,1,0,0,0,0|1,0,0]=3 860 B11R1.156 CC1=CC=CC(=C1C(C)O)C Z1198147557 [1,1,0,0,0,0|1,0,0]=3 861 B11R1.156 CC1=CC=CC(=C1N(C)C)C Z1813097316 [1,1,0,0,0,0|1,0,0]=3 862 B11R1.156 CN(C)C1=C(C=CC=C1N)Cl Z406679902 [1,1,0,0,0,0|2,0,0]=4 863 B11R1.156 C[C@@H](O)C1=C(C=CC=C1F)F Z360055216 [1,1,0,0,0,0|2,0,0]=4 864 B11R1.159 CC(=O)C1=C(C(=CC=C1)C)C Z992749248 [1,1,0,0,0,0|1,0,1]=4 865 B11R1.159 CC(C)C1=C(C(=CC=C1)F)N Z4997400271 [1,1,0,0,0,0|1,0,0]=3 866 B11R1.159 CC(N)C1=C(C(=CC=C1)Cl)Cl Z1020772524 [1,1,0,0,0,0|2,0,0]=4 867 B11R1.159 CC(N)C1=C(C(=CC=C1)F)F Z1713595336 [1,1,0,0,0,0|2,0,0]=4 868 B11R1.159 CC1=C(C=CC=C1Br)C(C)N Z4950451632 [1,1,0,0,0,0|1,0,0]=3 869 B11R1.159 CC1=C(C=CC=C1Cl)C(C)N Z4554633933 [1,1,0,0,0,0|1,0,0]=3 870 B11R1.159 CC1=C(C=CC=C1N)C(C)C Z2740750367 [1,1,0,0,0,0|0,0,0]=2 871 B11R1.159 CC1=CC=CC(=C1C)C(C)N Z992749600 [1,1,0,0,0,0|1,0,0]=3 872 B11R1.159 CC1=CC=CC(=C1N)C(C)C Z3676142304 [1,1,0,0,0,0|1,0,0]=3 873 B11R1.167 CC(=O)C1=C(C=CC(=C1)C)C Z104486864 [1,1,0,0,0,0|1,0,1]=4 874 B11R1.167 CC(=O)C1=C(C=CC(=C1)N)C Z1203581134 [1,1,0,0,0,0|1,0,1]=4 875 B11R1.167 CC(C)C1=C(C=CC(=C1)Br)O Z1269143433 [1,1,0,0,0,0|1,0,0]=3 876 B11R1.167 CC(C)C1=C(C=CC(=C1)Cl)N Z2679866520 [1,1,0,0,0,0|1,0,0]=3 877 B11R1.167 CC(C)C1=C(C=CC(=C1)N)F Z5052153913 [1,1,0,0,0,0|1,0,0]=3 878 B11R1.167 CC(C)C1=C(C=CC(=C1)N)O Z1255375171 [1,1,0,0,0,0|1,0,0]=3 879 B11R1.167 CC(C)C1=C(N=CC(=C1)Cl)N Z1197892620 [1,1,0,0,0,0|2,0,0]=4 880 B11R1.167 CC(N)C1=C(C=CC(=C1)Br)F Z4604865350 [1,1,0,0,0,0|2,0,0]=4 881 B11R1.167 CC(N)C1=C(C=CC(=C1)Cl)Cl Z239627076 [1,1,0,0,0,0|2,0,0]=4 882 B11R1.167 CC(N)C1=C(C=CC(=C1)O)O Z4607148493 [1,1,0,0,0,0|2,0,0]=4 883 B11R1.167 CC(O)C1=C(C=CC(=C1)Br)N Z1509409907 [1,1,0,0,0,0|2,0,0]=4 884 B11R1.167 CC(O)C1=C(C=CC(=C1)Cl)Cl Z335244918 [1,1,0,0,0,0|2,0,0]=4 885 B11R1.167 CC(O)C1=C(C=CC(=C1)F)F Z228586372 [1,1,0,0,0,0|2,0,0]=4 886 B11R1.167 CC(O)C1=C(C=CC(=C1)I)Br Z1947410581 [1,1,0,0,0,0|2,0,0]=4 887 B11R1.167 CC1=C(C=C(C=C1)Br)C(F)F Z1269112902 [1,1,0,0,0,0|2,0,0]=4 888 B11R1.167 CC1=C(C=C(C=C1)N)C(F)F Z5788918216 [1,1,0,0,0,0|2,0,0]=4 889 B11R1.167 CC1=CC(=C(C=C1)C)C(C)N Z56347427 [1,1,0,0,0,0|1,0,0]=3 890 B11R1.167 CC1=CC(=C(C=C1)C)[C@@H](C)O Z360055836 [1,1,0,0,0,0|1,0,0]=3 891 B11R1.167 CC1=CC(=C(C=C1)C)[C@H](C)O Z360055834 [1,1,0,0,0,0|1,0,0]=3 892 B11R1.167 CC1=CC(=C(C=C1)O)N(C)C Z4989156435 [1,1,0,0,0,0|2,0,0]=4 893 B11R1.167 CN(C)C1=C(C=CC(=C1)N)Cl Z1255492548 [1,1,0,0,0,0|2,0,0]=4 894 B11R1.167 C[C@@H](N)C1=C(C=CC(=C1)F)F Z360056102 [1,1,0,0,0,0|2,0,0]=4 895 B11R1.167 C[C@@H](O)C1=C(C=CC(=C1)Cl)Cl Z360055424 [1,1,0,0,0,0|2,0,0]=4 896 B11R1.167 C[C@@H](O)C1=C(C=CC(=C1)Cl)F Z1245781311 [1,1,0,0,0,0|2,0,0]=4 897 B11R1.167 C[C@H](O)C1=C(C=CC(=C1)Cl)Cl Z360055428 [1,1,0,0,0,0|2,0,0]=4 898 B11R1.167 C[C@H](O)C1=C(C=CC(=C1)Cl)F Z1245781230 [1,1,0,0,0,0|2,0,0]=4 899 B11R1.167 C[C@H](O)C1=C(C=CC(=C1)F)F Z360056062 [1,1,0,0,0,0|2,0,0]=4 900 B11R1.222 CC(C=O)C1=C(C=CC=C1)Br Z1269159201 [1,1,0,0,0,0|1,0,1]=4 901 B11R1.222 CC(C=O)C1=C(C=CC=C1)Cl Z1222424635 [1,1,0,0,0,0|1,0,1]=4 902 B11R1.222 CC(C=O)C1=C(C=CC=C1)F Z1222424647 [1,1,0,0,0,0|1,0,1]=4 903 B11R1.222 CC1=C(C=CC=C1)C(=O)CN Z1741966378 [1,1,0,0,0,0|1,0,1]=4 904 B11R1.222 CC1=C(C=CC=C1)C(C)C#N Z415654748 [1,1,0,0,0,0|0,0,1]=3 905 B11R1.222 CC1=C(C=CC=C1)C(C)C=O Z1222424657 [1,1,0,0,0,0|0,0,1]=3 906 B11R1.222 CC1=C(C=CC=C1)C(N)C#N Z4658101942 [1,1,0,0,0,0|1,0,1]=4 907 B11R1.222 CC1=C(C=CC=C1)C(N)CF Z3092528504 [1,1,0,0,0,0|1,0,0]=3 908 B11R1.222 CC1=C(C=CC=C1)C(N)CO Z385458414 [1,1,0,0,0,0|1,0,0]=3 909 B11R1.222 CC1=C(C=CC=C1)C(O)CN Z336086534 [1,1,0,0,0,0|1,0,0]=3 910 B11R1.222 CCC(N)C1=C(C=CC=C1)Br Z851790482 [1,1,0,0,0,0|2,0,0]=4 911 B11R1.222 CCC(N)C1=C(C=CC=C1)O Z1266854970 [1,1,0,0,0,0|2,0,0]=4 912 B11R1.222 CCN(C)C1=C(C=CC=C1)N Z409023630 [1,1,0,0,0,0|2,0,0]=4 913 B11R1.222 CNC(C)C1=C(C=CC=C1)Br Z1497158706 [1,1,0,0,0,0|1,0,0]=3 914 B11R1.222 CNC(C)C1=C(C=CC=C1)C Z159528196 [1,1,0,0,0,0|0,0,0]=2 915 B11R1.222 CNC(C)C1=C(C=CC=C1)Cl Z138106016 [1,1,0,0,0,0|1,0,0]=3 916 B11R1.222 CNC(C)C1=C(C=CC=C1)O Z316170358 [1,1,0,0,0,0|1,0,0]=3 917 B11R1.222 COC(=O)C1=C(C=CC=C1)C Z18382338 [1,1,0,0,0,0|1,0,1]=4 918 B11R1.222 NC(CF)C1=C(C=CC=C1)Br Z4444282330 [1,1,0,0,0,0|2,0,0]=4 919 B11R1.222 NC(CO)C1=C(C=CC=C1)F Z1268152413 [1,1,0,0,0,0|2,0,0]=4 920 B11R1.222 NC(CO)C1=C(C=CC=C1)I Z2941400807 [1,1,0,0,0,0|2,0,0]=4 921 B11R1.222 NCC(O)C1=C(C=CC=C1)Cl Z1255523275 [1,1,0,0,0,0|2,0,0]=4 922 B13R1.51 CC(C)OC1=C(C=C(C=C1)Br)C=O Z53834336 [0,1,0,0,0,1|1,0,1]=4 923 B13R1.51 CC(C)OC1=C(C=C(C=C1)Cl)C=O Z274774408 [0,1,0,0,0,1|1,0,1]=4 924 B13R1.51 CC(C)OC1=C(C=C(C=C1)F)C=O Z415637930 [0,1,0,0,0,1|1,0,1]=4 925 B13R1.51 CC(C)OC1=C(C=C(C=C1)N)C#N Z801297664 [0,1,0,0,0,1|1,0,1]=4 926 B13R1.163 CC(C)C(=O)C1=C(C=C(C=C1)Cl)F Z1082848134 [0,1,0,0,0,1|2,0,0]=4 927 B13R1.163 CC(C)C(=O)C1=C(C=C(C=C1)O)F Z1255496103 [0,1,0,0,0,1|1,0,0]=3 928 B13R1.163 CC(C)C(N)C1=C(C=C(C=C1)Cl)F Z1082849232 [0,1,0,0,0,1|2,0,0]=4 929 B13R1.163 CC(C)C(N)C1=C(C=C(C=C1)F)F Z335236612 [0,1,0,0,0,1|2,0,0]=4 930 B13R1.163 CC(C)N(C)C1=C(C=C(C=C1)N)F Z362634750 [0,1,0,0,0,1|2,0,0]=4 931 B13R1.163 CC1=C(C=CC(=C1)N)C(=O)N(C)C Z877633128 [0,1,0,0,0,1|2,0,0]=4 932 B13R1.653 CC(C)OC1=C(C=C(C=C1)C#N)N Z425853808 [0,1,0,0,0,1|2,0,0]=4 933 B13R1.653 CC(C)OC1=C(C=C(C=C1)C=O)F Z335440394 [0,1,0,0,0,1|1,0,1]=4 934 B13R1.653 CC(C)OC1=C(C=C(C=C1)C=O)O Z1255426186 [0,1,0,0,0,1|1,0,1]=4 935 B13R1.653 CC(C)OC1=C(C=C(C=C1)CN)F Z362597924 [0,1,0,0,0,1|2,0,0]=4 936 B13R1.653 CC(C)OC1=C(C=C(C=C1)CO)Cl Z839172854 [0,1,0,0,0,1|1,0,0]=3 937 B13R1.653 CC(C)OC1=C(C=C(C=N1)CO)Cl Z800298452 [0,1,0,0,0,1|2,0,0]=4 938 B13R1.653 COC1=CC(=C(C=C1)NC(=O)C)C Z56871751 [0,1,0,0,0,1|1,0,1]=4 939 B13R1.653 COC1=CC(=C(C=C1)OC(C)C)N Z239604782 [0,1,0,0,0,1|1,0,0]=3 940 B13R1.883 CC(C)(C)SC1=C(C=C(C=C1)N)F Z362635346 [0,1,0,0,0,1|2,0,0]=4 941 B13R1.883 CC(C)(N)CC1=C(C=C(C=C1)Cl)Cl Z992953440 [0,1,0,0,0,1|2,0,0]=4 942 B13R1.883 CC(C)(N)CC1=C(C=C(C=C1)F)F Z3026330622 [0,1,0,0,0,1|2,0,0]=4 943 B13R1.2679 CC1=CC(=C(C=C1)CC(O)CN)C Z1255405058 [0,1,0,0,0,1|2,0,0]=4 944 B13R1.2679 CC1=CC(=C(C=C1)SC(C)C#N)C Z25047545 [0,1,0,0,0,1|1,0,1]=4 945 B13R1.2808 CC(=O)NC1=C(C=C(C=C1C)O)C Z56871774 [0,1,0,0,0,1|1,0,1]=4 946 B13R1.53 COC1=C(C=CC(=C1)Cl)C(C)(C)N Z4655970823 [0,2,0,0,0,0|1,0,0]=3 947 B13R1.99 COC1=CC(=C(C=C1)C(=O)C)OC Z54850161 [0,2,0,0,0,0|1,0,1]=4 948 B13R1.99 COC1=CC(=C(C=C1)C(C)N)OC Z239874952 [0,2,0,0,0,0|1,0,0]=3 949 B13R1.165 CC(C)C1=C(C=C(C=C1)Cl)C(=O)O Z1947398798 [0,2,0,0,0,0|1,0,1]=4 950 B13R1.165 CC(C)C1=C(C=C(C=C1)F)C(=O)O Z1171157999 [0,2,0,0,0,0|1,0,1]=4 951 B13R1.165 CC(C)C1=C(C=C(C=C1)N)C(C)C Z4988705083 [0,2,0,0,0,0|1,0,0]=3 952 B13R1.165 CC(N)C1=C(C=CC(=C1)F)N(C)C Z332383350 [0,2,0,0,0,0|2,0,0]=4 953 B13R1.165 CC1=CC(=C(C=C1)C(C)C)C(=O)O Z1251357644 [0,2,0,0,0,0|1,0,1]=4 954 B13R1.2065 COC(=O)C1=C(C=C(C=C1)O)OC Z1198166747 [0,2,0,0,0,0|1,0,1]=4 955 B13R1.96 CC(C)(C)C1=C(C=C(C=C1)C=O)O Z1255358849 [0,2,0,0,0,0|1,0,1]=4 956 B13R1.877 CC(C)(C)C1=C(C=C(C(=C1)O)I)I Z2724166250 [0,2,0,0,0,0|2,0,0]=4 957 B13R1.877 CC(C)(O)C1=C(C=C(C(=C1)F)Cl)Cl Z606832448 [0,2,0,0,0,0|2,0,0]=4 958 B13R1.877 CC1=C(C=C(C(=C1)O)C(C)(C)C)F Z1513807188 [0,2,0,0,0,0|2,0,0]=4 959 B13R1.884 CC(C)(N)C1=C(C(=C(C=C1)F)F)F Z4982869061 [0,2,0,0,0,0|2,0,0]=4 960 B13R1.884 CC1=C(C(=C(C=C1)C(C)(C)C)O)F Z1513889937 [0,2,0,0,0,0|2,0,0]=4 961 B13R1.4183 CC(C)(C#N)C1=C(C=C(C=C1)Cl)F Z1198304793 [0,2,0,0,0,0|2,0,0]=4 962 B13R1.4183 CC(C)(CN)C1=C(C=C(C=C1)Br)Cl Z1813168755 [0,2,0,0,0,0|2,0,0]=4 963 B13R1.4183 CC(C)(CN)C1=C(C=C(C=C1)F)Br Z5384940106 [0,2,0,0,0,0|2,0,0]=4 964 B13R1.4183 CC(C)(CN)C1=C(C=C(C=C1)F)Cl Z1080447132 [0,2,0,0,0,0|2,0,0]=4 965 B13R1.4183 CC(O)(CN)C1=C(C=C(C=C1)F)F Z1267881673 [0,2,0,0,0,0|2,0,0]=4 966 B13R1.4183 CC1=CC(=C(C=C1)C(C)(C)CN)C Z1255459793 [0,2,0,0,0,0|1,0,0]=3 967 B13R1.4183 CC1=CC(=C(C=C1)C(F)(F)CN)C Z3295001604 [0,2,0,0,0,0|2,0,0]=4 968 B13R1.651 CC(C)C1=C(C=C(C(=C1)C=O)O)O Z1416177459 [0,2,0,0,0,0|1,0,0]=3 969 B13R1.652 COC1=C(C=C(C(=C1)C)C(=O)C)C Z1198331248 [0,2,0,0,0,0|1,0,1]=4 970 B13R1.652 COC1=C(C=C(C(=C1)C)C(C)O)C Z1255466885 [0,2,0,0,0,0|1,0,0]=3 971 B13R1.652 COC1=C(C=C(C(=C1)C)S(=O)C)O Z1513901836 [0,2,0,0,0,0|2,0,0]=4 972 B13R1.1807 COC(=O)C1=C(C=C(C(=C1)O)O)C Z1255405000 [0,2,0,0,0,0|1,0,1]=4 973 B13R1.95 COC(=O)C1=C(C=C(C=C1)CO)C Z1486037182 [0,2,0,0,0,0|1,0,1]=4 974 B13R1.120 CC(=O)C1=C(C=C(C=C1)C(=O)O)C Z1262516363 [0,2,0,0,0,0|1,0,1]=4 975 B13R1.120 CC(C)C1=C(C=C(C=C1)B(O)O)Cl Z4918975081 [0,2,0,0,0,0|1,0,0]=3 976 B13R1.120 CC(C)C1=C(C=C(C=C1)C(=O)O)Cl Z1262516670 [0,2,0,0,0,0|1,0,0]=3 977 B13R1.120 CC(C)C1=C(C=C(C=C1)C(=O)O)F Z1171157991 [0,2,0,0,0,0|1,0,0]=3 978 B13R1.120 CC(C)C1=CC(=C(C=C1)C(C)C)F Z2511813175 [0,2,0,0,0,0|2,0,0]=4 979 B13R1.120 CC(C)C1=CC(=C(C=C1)C(C)C)O Z1255450103 [0,2,0,0,0,0|2,0,0]=4 980 B13R1.120 CC(C)N1C=CC(=CC1=O)C(=O)O Z1557326608 [0,2,0,0,0,0|2,0,0]=4 981 B13R1.120 CC1=C(C=CC(=C1)B(O)O)N(C)C Z1201623582 [0,2,0,0,0,0|1,0,0]=3 982 B13R1.120 CN(C)C1=C(C=C(C=C1)C(=O)O)F Z335441410 [0,2,0,0,0,0|2,0,0]=4 983 B13R1.428 COC1=CC(=C(C(=C1)C)C(=O)C)C Z1198164666 [0,2,0,0,0,0|1,0,1]=4 984 B13R1.428 COC1=CC(=C(C(=C1)F)C(C)O)F Z756118498 [0,2,0,0,0,0|2,0,0]=4 985 B13R1.4656 CC1=CC(=C(C(=C1)C)C(N)CO)C Z3028410725 [0,2,0,0,0,0|2,0,0]=4 986 B11R1.157 CC(C)NC1=CC(=CC=C1)O Z335562192 [0,0,1,1,0,0|1,0,1]=4 987 B11R1.157 CC(C)OC1=CC(=CC=C1)O Z381415570 [0,0,1,1,0,0|1,0,1]=4 988 B11R2.34 BrC1=CC=C(C=C1)C2CO2 Z278165164 [1,0,0,1,0,0|2,0,0]=4 989 B11R2.34 BrC1=CC=C(C=C1)[C@@H]2CO2 Z1198177141 [1,0,0,1,0,0|2,0,0]=4 990 B11R2.34 BrC1=CC=C(C=C1)[C@H]2CO2 Z1198177142 [1,0,0,1,0,0|2,0,0]=4 991 B11R2.34 BrC1=CN=C(C=C1)C2CC2 Z2943484009 [1,0,0,1,0,0|2,0,0]=4 992 B11R2.34 CC1=CC=C(C=C1)C2CO2 Z278165170 [1,0,0,1,0,0|2,0,0]=4 993 B11R2.34 ClC1=CC=C(C=C1)C2CO2 Z274971352 [1,0,0,1,0,0|2,0,0]=4 994 B11R2.34 ClC1=CC=C(C=C1)[C@@H]2CO2 Z1255450845 [1,0,0,1,0,0|2,0,0]=4 995 B11R2.34 ClC1=CC=C(C=C1)[C@H]2CO2 Z1198173162 [1,0,0,1,0,0|2,0,0]=4 996 B11R2.34 FC1=CC=C(C=C1)C2CO2 Z238878272 [1,0,0,1,0,0|2,0,0]=4 997 B11R2.34 FC1=CC=C(C=C1)[C@@H]2CO2 Z1255365381 [1,0,0,1,0,0|2,0,0]=4 998 B11R2.34 FC1=CC=C(C=C1)[C@H]2CO2 Z1255356921 [1,0,0,1,0,0|2,0,0]=4 999 B11R2.34 OC1=CN=C(N=C1)C2CC2 Z1255433581 [1,0,0,1,0,0|2,0,0]=4 1000 B11R2.36 BrC1=CC2=C(C=C1)CCC2 Z359513410 [1,0,0,1,0,0|1,0,0]=3 1001 B11R2.36 BrC1=CC2=C(C=C1)CCN2 Z1267773746 [1,0,0,1,0,0|2,0,0]=4 1002 B11R2.36 BrC1=CC2=C(C=C1)CCO2 Z1198181832 [1,0,0,1,0,0|2,0,0]=4 1003 B11R2.36 BrC1=CC2=C(C=C1)CNC2 Z1694636353 [1,0,0,1,0,0|2,0,0]=4 1004 B11R2.36 BrC1=CC2=C(C=C1)COC2 Z1079162022 [1,0,0,1,0,0|2,0,0]=4 1005 B11R2.36 BrC1=CC2=C(C=C1)OCC2 Z299596228 [1,0,0,1,0,0|2,0,0]=4 1006 B11R2.36 BrC1=CC2=C(CCC2)N=C1 Z1198182024 [1,0,0,1,0,0|2,0,0]=4 1007 B11R2.36 CC1=CC2=C(C=C1)CCN2 Z1269638555 [1,0,0,1,0,0|2,0,0]=4 1008 B11R2.36 CC1=CC2=C(C=C1)CNC2 Z2238336530 [1,0,0,1,0,0|2,0,0]=4 1009 B11R2.36 CC1=CC2=C(C=C1)NCC2 Z235539062 [1,0,0,1,0,0|2,0,0]=4 1010 B11R2.36 ClC1=CC2=C(C=C1)CCC2 Z1198234594 [1,0,0,1,0,0|1,0,0]=3 1011 B11R2.36 ClC1=CC2=C(C=C1)CCN2 Z926915320 [1,0,0,1,0,0|2,0,0]=4 1012 B11R2.36 ClC1=CC2=C(C=C1)CNC2 Z1198319382 [1,0,0,1,0,0|2,0,0]=4 1013 B11R2.36 ClC1=CC2=C(C=C1)NCC2 Z235537274 [1,0,0,1,0,0|2,0,0]=4 1014 B11R2.36 FC1=CC2=C(C=C1)CCN2 Z440803576 [1,0,0,1,0,0|2,0,0]=4 1015 B11R2.36 FC1=CC2=C(C=C1)CNC2 Z1094758928 [1,0,0,1,0,0|2,0,0]=4 1016 B11R2.36 IC1=CC2=C(C=C1)CCC2 Z381540774 [1,0,0,1,0,0|1,0,0]=3 1017 B11R2.36 NC1=CC2=C(C=C1)CCO2 Z1203579091 [1,0,0,1,0,0|2,0,0]=4 1018 B11R2.36 NC1=CC2=C(C=C1)CCS2 Z1198181342 [1,0,0,1,0,0|2,0,0]=4 1019 B11R2.36 NC1=CC2=C(C=C1)CNC2 Z1192340875 [1,0,0,1,0,0|2,0,0]=4 1020 B11R2.36 NC1=CC2=C(C=C1)COC2 Z995041906 [1,0,0,1,0,0|2,0,0]=4 1021 B11R2.36 NC1=NC2=C(C=C1)CCC2 Z1198183883 [1,0,0,1,0,0|2,0,0]=4 1022 B11R2.36 O=C1C=C2CCCC2=CN1 Z1255494860 [1,0,0,1,0,0|1,0,1]=4 1023 B11R2.36 O=C1C=CC2=C(N1)CCC2 Z234895263 [1,0,0,1,0,0|1,0,1]=4 1024 B11R2.36 OC1=CC2=C(C=C1)CCN2 Z3241260546 [1,0,0,1,0,0|1,0,0]=3 1025 B11R2.36 OC1=CC2=C(C=C1)CNC2 Z2489383861 [1,0,0,1,0,0|1,0,0]=3 1026 B11R2.36 OC1=CC2=C(C=C1)OCC2 Z1198182902 [1,0,0,1,0,0|1,0,0]=3 1027 B11R2.36 OC1=CC2=C(C=C1)OCO2 Z104473678 [1,0,0,1,0,0|2,0,0]=4 1028 B11R2.36 OC1=CC2=C(CCC2)N=C1 Z1255498919 [1,0,0,1,0,0|1,0,0]=3 1029 B11R2.36 OC1=CC2=C(N=C1)NCC2 Z2310677431 [1,0,0,1,0,0|2,0,0]=4 1030 B11R2.36 OC1=NC2=C(C=C1)CCN2 Z5351512817 [1,0,0,1,0,0|2,0,0]=4 1031 B11R2.36 OC1=NC2=C(C=C1)CNC2 Z4913752558 [1,0,0,1,0,0|2,0,0]=4 1032 B11R2.36 SC1=CC2=C(C=C1)OCC2 Z361891428 [1,0,0,1,0,0|1,1,0]=4 1033 B11R2.1 CC1CNC2=C1C=CC=C2 Z415739264 [1,0,0,1,0,0|1,0,0]=3 1034 B11R2.1 CC1CNC2=C1C=CN=C2 Z3400245703 [1,0,0,1,0,0|2,0,0]=4 1035 B11R2.1 CC1CNC2=C1N=CC=C2 Z3464420345 [1,0,0,1,0,0|2,0,0]=4 1036 B11R2.1 CC1NCC2=C1C=CC=C2 Z1203731964 [1,0,0,1,0,0|1,0,0]=3 1037 B11R2.1 NC1CCC2=C1C=CC=C2 Z168884748 [1,0,0,1,0,0|1,0,0]=3 1038 B11R2.1 NC1CSC2=C1C=CC=C2 Z431544668 [1,0,0,1,0,0|2,0,0]=4 1039 B11R2.1 N[C@@H]1CCC2=C1C=CC=C2 Z1741972748 [1,0,0,1,0,0|1,0,0]=3 1040 B11R2.1 O=C1CCC2=C1C=CC=C2 Z104495974 [1,0,0,1,0,0|1,0,1]=4 1041 B11R2.1 OC1COC2=C1C=CC=C2 Z1267884639 [1,0,0,1,0,0|2,0,0]=4 1042 B11R2.1 O[C@@H]1CSC2=C1C=CC=C2 Z1438326029 [1,0,0,1,0,0|2,0,0]=4 1043 B11R2.55 BrC1=C(C=CC=C1)C2CO2 Z278165218 [1,0,0,1,0,0|2,0,0]=4 1044 B11R2.55 CC1=C(C=CC=C1)C2CO2 Z278165272 [1,0,0,1,0,0|1,0,0]=3 1045 B11R2.55 ClC1=C(C=CC=C1)C2CO2 Z278165192 [1,0,0,1,0,0|2,0,0]=4 1046 B11R2.55 ClC1=C(C=CC=C1)[C@@H]2CO2 Z1575341712 [1,0,0,1,0,0|2,0,0]=4 1047 B11R2.55 ClC1=C(C=CC=C1)[C@H]2CO2 Z1575341825 [1,0,0,1,0,0|2,0,0]=4 1048 B11R2.55 FC1=C(C=CC=C1)C2CO2 Z278165212 [1,0,0,1,0,0|2,0,0]=4 1049 B11R2.55 FC1=C(C=CC=C1)[C@@H]2CO2 Z1575341650 [1,0,0,1,0,0|2,0,0]=4 1050 B11R2.55 NC1=C(C=CC=C1)C2CC2 Z336079888 [1,0,0,1,0,0|1,0,0]=3 1051 B11R2.55 NC1=C(C=CC=N1)C2CC2 Z4496948738 [1,0,0,1,0,0|2,0,0]=4 1052 B11R2.55 NC1=C(C=CN=C1)C2CC2 Z3681316846 [1,0,0,1,0,0|2,0,0]=4 1053 B11R2.55 NC1=C(C=NC=C1)C2CC2 Z4521980438 [1,0,0,1,0,0|2,0,0]=4 1054 B11R2.55 NC1=C(N=CC=C1)C2CC2 Z1521319401 [1,0,0,1,0,0|2,0,0]=4 1055 B13R2.3051 CC1(CC2=C(C1)C=C(C=C2)N)C Z2894245187 [0,0,0,1,0,1|1,0,0]=3 1056 B13R2.3051 CC1(CC2=C(C1)C=C(C=C2)O)C Z1513871406 [0,0,0,1,0,1|0,0,0]=2 1057 B13R2.3051 CC1(CC2=C(O1)C=CC(=C2)Br)C Z975902306 [0,0,0,1,0,1|1,0,0]=3 1058 B13R2.3051 CC1(CC2=C(O1)C=CC(=C2)N)C Z975901294 [0,0,0,1,0,1|1,0,0]=3 1059 B13R2.3051 CC1(OC2=C(O1)C=C(C=C2)N)C Z119989932 [0,0,0,1,0,1|2,0,0]=4 1060 B13R2.3683 CC1=CC2=C(C=C1)OC(CN2)C Z1198339746 [0,0,0,1,0,1|2,0,0]=4 1061 B13R2.3683 CC1CC2=C(C=C(C=C2)F)CN1 Z979717396 [0,0,0,1,0,1|2,0,0]=4 1062 B13R2.3683 CC1CCC2=C(C1)C=NC(=C2)N Z2906227881 [0,0,0,1,0,1|2,0,0]=4 1063 B13R2.3683 CC1CNC2=C(O1)C=CC(=C2)Br Z1269154407 [0,0,0,1,0,1|2,0,0]=4 1064 B13R2.3683 CC1CNC2=C(O1)C=CC(=C2)Cl Z1198339753 [0,0,0,1,0,1|2,0,0]=4 1065 B13R2.3683 O=C1CCC2=C(N1)C=CC(=C2)O Z234893935 [0,0,0,1,0,1|1,0,1]=4 1066 B13R2.3683 O=C1CCC2=C(O1)C=CC(=C2)O Z1513805017 [0,0,0,1,0,1|1,0,1]=4 1067 B13R2.3683 OC1CCC2=C(C1)C=CC(=C2)Br Z449374978 [0,0,0,1,0,1|2,0,0]=4 1068 B13R2.2082 CC1=CC(=C(C=C1)C2CC2)CN Z4447090337 [0,1,0,1,0,0|1,0,0]=3 1069 B13R2.2082 O=CC1=C(C=CC(=C1)Br)C2CC2 Z2471611391 [0,1,0,1,0,0|1,0,1]=4 1070 B13R2.3108 CC1(CNC2=C1C=CC(=C2)Cl)C Z1416188766 [0,1,0,1,0,0|1,0,0]=3 1071 B13R2.3108 CS1(=NCC2=C1C=CC(=C2)O)=O Z4461917987 [0,1,0,1,0,0|2,0,0]=4 1072 B13R2.5179 CC1CNCC2=C1C=CC(=C2)Br Z3013893906 [0,1,0,1,0,0|1,0,0]=3 1073 B13R2.5179 CC1NCCC2=C1C=CC(=C2)F Z1250089960 [0,1,0,1,0,0|1,0,0]=3 1074 B13R2.5179 CN1CCCC2=C1C=CC(=C2)N Z334596472 [0,1,0,1,0,0|2,0,0]=4 1075 B13R2.5179 CN1CCNC2=C1C=CC(=C2)Br Z871786644 [0,1,0,1,0,0|2,0,0]=4 1076 B13R2.5179 CN1CCNC2=C1C=CC(=C2)Cl Z1262584844 [0,1,0,1,0,0|2,0,0]=4 1077 B13R2.5179 CN1CCNC2=C1C=CC(=C2)F Z1262619363 [0,1,0,1,0,0|2,0,0]=4 1078 B13R2.5179 NC1CCCC2=C1C=CC(=C2)O Z2867491070 [0,1,0,1,0,0|1,0,0]=3 1079 B13R2.5179 NC1CCOC2=C1C=CC(=C2)Cl Z2044769360 [0,1,0,1,0,0|2,0,0]=4 1080 B13R2.5179 N[C@@H]1CCCC2=C1C=CC(=C2)F Z1357774230 [0,1,0,1,0,0|2,0,0]=4 1081 B13R2.5179 N[C@@H]1CCOC2=C1C=CC(=C2)F Z2242076651 [0,1,0,1,0,0|2,0,0]=4 1082 B13R2.5179 N[C@H]1CCOC2=C1C=CC(=C2)F Z2440429201 [0,1,0,1,0,0|2,0,0]=4 1083 B13R2.5179 O=C1CCCC2=C1C=CC(=C2)O Z877546758 [0,1,0,1,0,0|1,0,1]=4 1084 B13R2.5179 O=C1CCOC2=C1C=CC(=C2)O Z1198180631 [0,1,0,1,0,0|1,0,1]=4 1085 B13R2.5179 O=C1NCCC2=C1C=CC(=C2)O Z1198175558 [0,1,0,1,0,0|1,0,1]=4 1086 B13R2.5179 OC1CCCC2=C1C=CC(=C2)F Z1255366926 [0,1,0,1,0,0|2,0,0]=4 1087 B13R2.5187 CC1=CN(C2=C1C=CC(=C2)O)C Z3026366613 [0,1,0,1,0,0|0,0,2]=4 1088 B13R2.5187 CC1=NN(C2=C1C=C(C=C2)O)C Z1618029059 [0,1,0,1,0,0|2,0,0]=4 1089 B13R2.5187 CC1=NN(C2=C1C=CC(=C2)O)C Z1618029061 [0,1,0,1,0,0|1,0,1]=4 1090 B13R2.3125 CC1(CO1)C2=C(C=C(C=C2)Br)Cl Z1543414815 [0,1,0,1,0,0|2,0,0]=4 1091 B13R2.3125 CC1(CO1)C2=C(C=C(C=C2)Br)F Z1558352419 [0,1,0,1,0,0|2,0,0]=4 1092 B13R2.3125 CC1(CO1)C2=C(C=C(C=C2)Cl)Cl Z1020684132 [0,1,0,1,0,0|2,0,0]=4 1093 B13R2.3125 NC1(CC1)C2=C(C=C(C=C2)Br)F Z4540047668 [0,1,0,1,0,0|2,0,0]=4 1094 B13R2.3125 NC1(CC1)C2=C(C=C(C=C2)F)Br Z2312568000 [0,1,0,1,0,0|2,0,0]=4 1095 B13R2.3125 NC1(CC1)C2=C(C=C(C=C2)F)Cl Z4658970137 [0,1,0,1,0,0|2,0,0]=4 1096 B13R2.5391 CC1=C(C=C(C(=C1)F)C2CC2)N Z6022666403 [0,1,0,1,0,0|2,0,0]=4 1097 B13R2.5391 CC1=C(C=C(C(=C1)N)Cl)C2CC2 Z3481417567 [0,1,0,1,0,0|1,0,0]=3 1098 B13R2.5391 NC1=C(C=C(C(=C1)C2CC2)F)F Z5919646317 [0,1,0,1,0,0|2,0,0]=4 1099 B13R2.11634 NC1CCC2=C1C=C(C(=C2)F)F Z2941167575 [0,1,0,1,0,0|2,0,0]=4 1100 B13R2.2130 CN1CCC2=C1C=CC(=C2)C=O Z951174872 [0,1,0,1,0,0|1,0,1]=4 1101 B13R2.2130 CN1CCC2=C1C=CC(=C2)CN Z1723849125 [0,1,0,1,0,0|2,0,0]=4 1102 B13R2.2130 COC1=CC2=C(C=C1)C(=O)CC2 Z1203162378 [0,1,0,1,0,0|1,0,1]=4 1103 B13R2.2170 CC1=C(C=CC(=C1)C=O)C2CC2 Z1450932693 [0,1,0,1,0,0|0,0,1]=3 1104 B13R2.2170 COC1=CC(=C(C=C1)C2CC2)N Z2739151980 [0,1,0,1,0,0|1,0,0]=3 1105 B13R2.2170 O=CC1=CC(=C(C=C1)C2CC2)F Z1450932692 [0,1,0,1,0,0|1,0,1]=4 1106 B13R2.5180 NC1CCC2=C(C(=CC=C12)Cl)Cl Z1695797798 [0,1,0,1,0,0|2,0,0]=4 1107 B13R2.5180 NC1CCC2=C(C(=CC=C12)F)Br Z2235682411 [0,1,0,1,0,0|2,0,0]=4 1108 B13R2.5180 O=C1CCC2=C1C=CC(=C2F)O Z1255367825 [0,1,0,1,0,0|1,0,1]=4 1109 B13R2.5180 O=C1CCC2=C1C=CC(=C2O)O Z1198731402 [0,1,0,1,0,0|1,0,1]=4 1110 B13R2.11034 CC1=CC(=CC(=O)N1C2CC2)O Z1198173408 [0,1,0,1,0,0|1,0,0]=3 1111 B13R2.11642 CC1=C2C(=CC(=C1)Br)CCC2N Z3847439353 [0,1,0,1,0,0|2,0,0]=4 1112 B13R2.11642 CC1=C2C(=O)COC2=CC(=C1)O Z362847676 [0,1,0,1,0,0|1,0,1]=4 1113 B13R2.11642 CC1=CC(=C2C(=C1)CCC2N)C Z3995663994 [0,1,0,1,0,0|2,0,0]=4 1114 B13R2.11642 OC1CCC2=C1C(=CC(=C2)Cl)Cl Z815114676 [0,1,0,1,0,0|2,0,0]=4 1115 B13R2.662 NCC1OCC2=C1C=CC(=C2)Cl Z4791662405 [0,1,0,1,0,0|2,0,0]=4 1116 B13R2.5190 CC1=CC2=C(N1C)C=CC(=C2)O Z1198161075 [0,1,0,1,0,0|1,0,1]=4 1117 B13R2.5190 CC1=NC2=C(N1C)C=CC(=C2)O Z1255488408 [0,1,0,1,0,0|2,0,0]=4 1118 B13R2.5190 CC1CC2=C(C1C)C=CC(=C2)O Z1513871470 [0,1,0,1,0,0|0,0,0]=2 1119 B13R2.5190 CC1CC2=C(C1N)C=CC(=C2)Br Z5129562645 [0,1,0,1,0,0|2,0,0]=4 1120 B13R2.5190 CN1C(=O)CC2=C1C=CC(=C2)O Z1255384169 [0,1,0,1,0,0|1,0,1]=4 1121 B13R2.5190 CN1CC2=C(C1=O)C=CC(=C2)O Z1255392092 [0,1,0,1,0,0|1,0,1]=4 1122 B9R1.35 CC(C)N1C=C(C=N1)O Z1617993976 [1,0,0,0,1,0|2,0,0]=4 1123 B9R1.35 CC(C)N1C=CC(=N1)O Z1618149672 [1,0,0,0,1,0|2,0,0]=4 1124 B9R1.41 CC(C)C1=C(C=CS1)N Z4702454044 [1,0,0,0,1,0|2,0,0]=4 1125 B9R1.41 CC(C)C1=NC=CN1C Z1198309810 [1,0,0,0,1,0|2,0,0]=4 1126 B9R1.41 CC1=C(SC=C1)C(C)O Z837065414 [1,0,0,0,1,0|2,0,0]=4 1127 B11R1.20 CC(=O)NC1=CC=C(C=C1)O Z56946051 [1,0,0,0,0,1|1,0,1]=4 1128 B11R1.20 CC(=O)OC1=CC=C(C=C1)O Z1198155166 [1,0,0,0,0,1|1,0,1]=4 1129 B11R1.20 CC(C)CC1=CC=C(C=C1)N Z1463350056 [1,0,0,0,0,1|1,0,0]=3 1130 B11R1.20 CC(C)CC1=NC=C(C=C1)Br Z1269179231 [1,0,0,0,0,1|2,0,0]=4 1131 B11R1.20 CC(C)NC1=CC=C(C=C1)Cl Z993967140 [1,0,0,0,0,1|1,0,0]=3 1132 B11R1.20 CC(C)NC1=CC=C(C=C1)F Z266481896 [1,0,0,0,0,1|1,0,0]=3 1133 B11R1.20 CC(C)NC1=NC=C(C=C1)Br Z359297038 [1,0,0,0,0,1|2,0,0]=4 1134 B11R1.20 CC(C)OC1=CC=C(C=C1)Br Z53834735 [1,0,0,0,0,1|1,0,0]=3 1135 B11R1.20 CC(C)OC1=CC=C(C=C1)I Z54181200 [1,0,0,0,0,1|1,0,0]=3 1136 B11R1.20 CC(C)OC1=NC=C(C=C1)Br Z808608768 [1,0,0,0,0,1|2,0,0]=4 1137 B11R1.20 CC(N)CC1=CC=C(C=C1)O Z57102382 [1,0,0,0,0,1|1,0,0]=3 1138 B11R1.20 CC1=CC=C(C=C1)NC(C)C Z992717194 [1,0,0,0,0,1|1,0,0]=3 1139 B11R1.20 CC1=CC=C(C=C1)OC(C)C Z53834229 [1,0,0,0,0,1|1,0,0]=3 1140 B11R1.20 CN(C)CC1=CC=C(C=C1)N Z228584348 [1,0,0,0,0,1|2,0,0]=4 1141 B11R1.86 CC(=O)CC1=C(C=CC=C1)C Z329711570 [1,0,0,0,0,1|1,0,1]=4 1142 B11R1.86 CC(C)CC1=C(C=CC=C1)N Z1171158156 [1,0,0,0,0,1|1,0,0]=3 1143 B11R1.86 CC(C)NC1=C(C=CC=C1)Br Z334939134 [1,0,0,0,0,1|1,0,0]=3 1144 B11R1.86 CC(C)NC1=C(C=CC=C1)I Z362774390 [1,0,0,0,0,1|1,0,0]=3 1145 B11R1.86 CC(C)OC1=C(C=CC=C1)Br Z54690481 [1,0,0,0,0,1|1,0,0]=3 1146 B11R1.86 CC(C)OC1=C(C=CC=C1)Cl Z53833775 [1,0,0,0,0,1|1,0,0]=3 1147 B11R1.86 CC(C)OC1=C(C=CC=C1)N Z239604736 [1,0,0,0,0,1|1,0,0]=3 1148 B11R1.86 CC(C)OC1=C(C=CC=N1)O Z1255389451 [1,0,0,0,0,1|2,0,0]=4 1149 B11R1.86 CC(C)OC1=C(C=NC=C1)N Z2786079501 [1,0,0,0,0,1|2,0,0]=4 1150 B11R1.86 CC(C)OC1=C(N=CC=C1)N Z1809367930 [1,0,0,0,0,1|2,0,0]=4 1151 B11R1.86 CC(C)SC1=C(C=CC=C1)N Z316174692 [1,0,0,0,0,1|1,0,0]=3 1152 B11R1.86 CC(N)CC1=C(C=CC=C1)Br Z1416200939 [1,0,0,0,0,1|2,0,0]=4 1153 B11R1.86 CC(N)CC1=C(C=CC=C1)Cl Z415728108 [1,0,0,0,0,1|2,0,0]=4 1154 B11R1.86 CC1=C(C=CC=C1)CC(C)N Z594038086 [1,0,0,0,0,1|1,0,0]=3 1155 B11R1.86 CC1=C(C=CC=C1)NC(C)C Z267168760 [1,0,0,0,0,1|0,0,0]=2 1156 B11R1.86 CC1=C(C=CN=C1)CC(C)N Z4926043046 [1,0,0,0,0,1|2,0,0]=4 1157 B11R1.86 CN(C)CC1=C(C=CC=C1)Cl Z54750062 [1,0,0,0,0,1|2,0,0]=4 1158 B11R1.86 CN(C)CC1=C(C=CC=C1)N Z285162890 [1,0,0,0,0,1|2,0,0]=4 1159 B11R1.74 CC(C)C1=CC(=CC(=C1)N)F Z4946679480 [0,0,0,0,1,1|2,0,0]=4 1160 B11R1.74 CC(C)C1=CC(=CC(=O)O1)O Z1198170475 [0,0,0,0,1,1|1,0,0]=3 1161 B11R1.74 CC1=CC(=CC(=C1)Br)C(C)N Z3083106287 [0,0,0,0,1,1|2,0,0]=4 1162 B11R1.74 CC1=CC(=CC(=C1)C(C)N)C Z608067962 [0,0,0,0,1,1|2,0,0]=4 1163 B11R1.74 CC1=CC(=CC(=C1)N(C)C)C Z4417004023 [0,0,0,0,1,1|2,0,0]=4 1164 B11R1.74 CC1=CC(=CC(=C1)O)C(C)C Z104479096 [0,0,0,0,1,1|0,0,0]=2 1165 B11R1.74 CC1=CC(=NC(=N1)O)C(C)C Z1652722060 [0,0,0,0,1,1|2,0,0]=4 1166 B11R1.74 CC1=NC(=CC(=N1)C(C)C)Cl Z431784072 [0,0,0,0,1,1|2,0,0]=4 1167 B11R1.74 CC1=NC(=NC(=C1)Br)C(C)C Z425848986 [0,0,0,0,1,1|2,0,0]=4 1168 B11R1.74 CC1=NC(=NC(=C1)Cl)C(C)C Z119967266 [0,0,0,0,1,1|2,0,0]=4 1169 B11R1.74 CC1=NC(=NC(=C1)N)C(C)C Z234896993 [0,0,0,0,1,1|2,0,0]=4 1170 B11R1.74 CC1=NC(=NC(=C1)O)C(C)C Z203045130 [0,0,0,0,1,1|1,0,0]=3 1171 B11R1.74 CC1=NC(=NC(=C1)S)C(C)C Z119967270 [0,0,0,0,1,1|1,1,0]=4 1172 B13R1.164 CC(C)COC1=C(C=C(C=C1)N)Cl Z359419772 [0,0,0,0,0,2|2,0,0]=4