0 B11R1.22 C#CC(=O)C1=CC=C(C=C1)Cl Z1266856320 [0,0,0,0,0,0|2,0,2]=4 1 B11R1.22 C#CC(N)C1=CC=C(C=C1)Br Z3378112680 [0,0,0,0,0,0|3,0,0]=3 2 B11R1.22 C=CC(=O)C1=CC=C(C=C1)O Z1416178613 [0,0,0,0,0,0|1,0,3]=4 3 B11R1.22 CC(C#N)C1=CC=C(C=C1)Br Z1269233209 [0,0,0,0,0,0|2,0,0]=2 4 B11R1.22 CC(C#N)C1=CC=C(C=C1)Cl Z1198147665 [0,0,0,0,0,0|2,0,0]=2 5 B11R1.22 CC(C=O)C1=CC=C(C=C1)Br Z1269114153 [0,0,0,0,0,0|3,0,1]=4 6 B11R1.22 CC(C=O)C1=CC=C(C=C1)Cl Z1198334992 [0,0,0,0,0,0|3,0,1]=4 7 B11R1.22 CC(C=O)C1=CC=C(C=C1)F Z1255400140 [0,0,0,0,0,0|3,0,1]=4 8 B11R1.22 CC(CN)C1=CC=C(C=C1)Br Z2906280360 [0,0,0,0,0,0|2,0,2]=4 9 B11R1.22 CC(CN)C1=CC=C(C=C1)F Z415654954 [0,0,0,0,0,0|2,0,2]=4 10 B11R1.22 CC(CO)C1=CC=C(C=C1)F Z1255440783 [0,0,0,0,0,0|3,0,1]=4 11 B11R1.22 CC1=CC=C(C=C1)C(C)C#N Z415654732 [0,0,0,0,0,0|2,0,0]=2 12 B11R1.22 CC1=CC=C(C=C1)C(C)C=O Z1198150045 [0,0,0,0,0,0|3,0,1]=4 13 B11R1.22 CC1=CC=C(C=C1)C(C)CN Z415654970 [0,0,0,0,0,0|2,0,2]=4 14 B11R1.22 CC1=CC=C(C=C1)C(N)CF Z2474474695 [0,0,0,0,0,0|3,0,1]=4 15 B11R1.22 CC1=CC=C(C=C1)C(N)CO Z5087131901 [0,0,0,0,0,0|3,0,1]=4 16 B11R1.22 CC1=CC=C(C=C1)C(O)CN Z336086536 [0,0,0,0,0,0|1,0,2]=3 17 B11R1.22 CC1=CC=C(C=C1)[C@@H](O)CN Z1895741843 [0,0,0,0,0,0|1,0,2]=3 18 B11R1.22 CCC(=O)C1=CC=C(C=C1)O Z104499156 [0,0,0,0,0,0|1,0,3]=4 19 B11R1.22 CCC(C)C1=CC=C(C=C1)O Z104484172 [0,0,0,0,0,0|2,0,1]=3 20 B11R1.22 CCC(N)C1=CC=C(C=C1)Br Z90662172 [0,0,0,0,0,0|3,0,1]=4 21 B11R1.22 CCC(N)C1=CC=C(C=C1)C Z90662186 [0,0,0,0,0,0|3,0,1]=4 22 B11R1.22 CCC(N)C1=CC=C(C=C1)Cl Z221421644 [0,0,0,0,0,0|3,0,1]=4 23 B11R1.22 CCC(O)C1=CC=C(C=C1)C Z228586316 [0,0,0,0,0,0|2,0,1]=3 24 B11R1.22 CCC(O)C1=CC=C(C=C1)Cl Z228586168 [0,0,0,0,0,0|2,0,1]=3 25 B11R1.22 CCC(O)C1=CC=C(C=C1)F Z228586174 [0,0,0,0,0,0|2,0,1]=3 26 B11R1.22 CCC(O)C1=CC=C(C=C1)O Z228586170 [0,0,0,0,0,0|1,0,1]=2 27 B11R1.22 CCC(O)C1=NC=C(C=C1)F Z1341678257 [0,0,0,0,0,0|3,0,1]=4 28 B11R1.22 CC[C@@H](N)C1=CC=C(C=C1)F Z1626921240 [0,0,0,0,0,0|3,0,1]=4 29 B11R1.22 CC[C@H](N)C1=CC=C(C=C1)F Z1625822291 [0,0,0,0,0,0|3,0,1]=4 30 B11R1.22 CNC(=O)C1=CC=C(C=C1)O Z183855140 [0,0,0,0,0,0|2,0,2]=4 31 B11R1.22 CNC(C)C1=CC=C(C=C1)C Z239628686 [0,0,0,0,0,0|4,0,0]=4 32 B11R1.22 CNC(C)C1=CC=C(C=C1)Cl Z159528172 [0,0,0,0,0,0|4,0,0]=4 33 B11R1.22 CNC(C)C1=CC=C(C=C1)F Z166605480 [0,0,0,0,0,0|4,0,0]=4 34 B11R1.22 CNC(C)C1=CC=C(C=C1)O Z316170374 [0,0,0,0,0,0|3,0,0]=3 35 B11R1.22 COC(=O)C1=CC=C(C=C1)O Z19674820 [0,0,0,0,0,0|2,0,2]=4 36 B11R1.22 N#CC(N)C1=CC=C(C=C1)Cl Z1262246247 [0,0,0,0,0,0|2,0,0]=2 37 B11R1.22 N#CC(N)C1=CC=C(C=C1)F Z99599728 [0,0,0,0,0,0|2,0,0]=2 38 B11R1.22 N/C(=N\O)/C1=CC=C(C=C1)O Z156964722 [0,0,0,0,0,0|3,0,1]=4 39 B11R1.22 NC(CF)C1=CC=C(C=C1)Cl Z1510155807 [0,0,0,0,0,0|3,0,1]=4 40 B11R1.22 NC(CO)C1=CC=C(C=C1)Br Z2188171600 [0,0,0,0,0,0|3,0,1]=4 41 B11R1.22 NC(CO)C1=CC=C(C=C1)F Z1268152327 [0,0,0,0,0,0|3,0,1]=4 42 B11R1.22 NCC(=O)C1=CC=C(C=C1)O Z1198177329 [0,0,0,0,0,0|0,0,4]=4 43 B11R1.22 NCC(O)C1=CC=C(C=C1)Cl Z295878600 [0,0,0,0,0,0|1,0,2]=3 44 B11R1.22 NNC(=O)C1=CC=C(C=C1)O Z57036327 [0,0,0,0,0,0|1,0,3]=4 45 B11R1.22 O=C(CCl)C1=CC=C(C=C1)O Z104378296 [0,0,0,0,0,0|1,0,3]=4 46 B10R1.1 CC1=CC=C(C=C1)CC#N Z285131444 [1,0,0,0,0,0|1,0,0]=2 47 B10R1.1 CC1=CC=C(C=C1)CC=O Z993017610 [1,0,0,0,0,0|2,0,1]=4 48 B10R1.1 CC1=CC=C(C=C1)CCN Z1268153218 [1,0,0,0,0,0|1,0,2]=4 49 B10R1.1 CC1=CC=C(C=C1)CCO Z397587076 [1,0,0,0,0,0|2,0,1]=4 50 B10R1.1 CC1=NN=C(C=C1)CC#N Z1098233917 [1,0,0,0,0,0|3,0,0]=4 51 B10R1.1 CCCC1=CC=C(C=C1)Br Z299596168 [1,0,0,0,0,0|2,0,1]=4 52 B10R1.1 CCCC1=CC=C(C=C1)N Z104492166 [1,0,0,0,0,0|2,0,1]=4 53 B10R1.1 CCNC1=CC=C(C=C1)O Z1823256830 [1,0,0,0,0,0|2,0,1]=4 54 B10R1.1 CNCC1=CC=C(C=C1)Br Z56175269 [1,0,0,0,0,0|3,0,0]=4 55 B10R1.1 CNCC1=CC=C(C=C1)C Z56944115 [1,0,0,0,0,0|3,0,0]=4 56 B10R1.1 CNCC1=CC=C(C=C1)Cl Z56956070 [1,0,0,0,0,0|3,0,0]=4 57 B10R1.1 CNCC1=CC=C(C=C1)F Z56963340 [1,0,0,0,0,0|3,0,0]=4 58 B10R1.1 CNCC1=CC=C(C=C1)I Z4242747560 [1,0,0,0,0,0|3,0,0]=4 59 B10R1.1 COCC1=CC=C(C=C1)N Z240084568 [1,0,0,0,0,0|3,0,0]=4 60 B10R1.1 CSCC1=CC=C(C=C1)Br Z19854469 [1,0,0,0,0,0|3,0,0]=4 61 B10R1.1 CSCC1=CC=C(C=C1)N Z732207336 [1,0,0,0,0,0|3,0,0]=4 62 B10R1.1 N#CCC1=CC=C(C=C1)F Z89283961 [1,0,0,0,0,0|1,0,0]=2 63 B10R1.1 N#CCC1=CC=C(C=C1)N Z90122117 [1,0,0,0,0,0|1,0,0]=2 64 B10R1.1 N#CCC1=CC=C(C=C1)O Z90120144 [1,0,0,0,0,0|0,0,0]=1 65 B10R1.1 N#CCC1=NC=C(C=C1)F Z1098233918 [1,0,0,0,0,0|2,0,0]=3 66 B10R1.1 NC1=CC=C(C=C1)CCO Z276600190 [1,0,0,0,0,0|2,0,1]=4 67 B10R1.1 NCCC1=CC=C(C=C1)Br Z285143750 [1,0,0,0,0,0|1,0,2]=4 68 B10R1.1 NCCC1=CC=C(C=C1)Cl Z57051065 [1,0,0,0,0,0|1,0,2]=4 69 B10R1.1 NCCC1=CC=C(C=C1)F Z90122126 [1,0,0,0,0,0|1,0,2]=4 70 B10R1.1 NCCC1=CC=C(C=C1)I Z2515133713 [1,0,0,0,0,0|1,0,2]=4 71 B10R1.1 NCCC1=CC=C(C=C1)O Z744729058 [1,0,0,0,0,0|0,0,2]=3 72 B10R1.1 NCCC1=NC=C(C=C1)O Z2350909287 [1,0,0,0,0,0|1,0,2]=4 73 B10R1.1 NOCC1=CC=C(C=C1)Cl Z1198164677 [1,0,0,0,0,0|2,0,1]=4 74 B10R1.1 O/N=C/C1=CC=C(C=C1)O Z49568314 [1,0,0,0,0,0|2,0,1]=4 75 B10R1.1 O=CCC1=CC=C(C=C1)Br Z1079442512 [1,0,0,0,0,0|2,0,1]=4 76 B10R1.1 O=CCC1=CC=C(C=C1)Cl Z993017718 [1,0,0,0,0,0|2,0,1]=4 77 B10R1.1 O=CCC1=CC=C(C=C1)F Z993017752 [1,0,0,0,0,0|2,0,1]=4 78 B10R1.1 O=CNC1=CC=C(C=C1)O Z87002541 [1,0,0,0,0,0|2,0,1]=4 79 B10R1.1 OCCC1=CC=C(C=C1)Br Z397587340 [1,0,0,0,0,0|2,0,1]=4 80 B10R1.1 OCCC1=CC=C(C=C1)F Z397587326 [1,0,0,0,0,0|2,0,1]=4 81 B10R1.1 OCCC1=CC=C(C=C1)O Z1250886919 [1,0,0,0,0,0|1,0,1]=3 82 B10R1.13 CC(=O)C1=CC=C(C=C1)O Z57040434 [1,0,0,0,0,0|0,0,3]=4 83 B10R1.13 CC(C)C1=CC=C(C=C1)Br Z732229746 [1,0,0,0,0,0|2,0,1]=4 84 B10R1.13 CC(C)C1=CC=C(C=C1)Cl Z1255372793 [1,0,0,0,0,0|2,0,1]=4 85 B10R1.13 CC(C)C1=CC=C(C=C1)N Z104476320 [1,0,0,0,0,0|2,0,1]=4 86 B10R1.13 CC(C)C1=CC=C(C=C1)O Z56347200 [1,0,0,0,0,0|1,0,1]=3 87 B10R1.13 CC(N)C1=CC=C(C=C1)Br Z56347162 [1,0,0,0,0,0|2,0,1]=4 88 B10R1.13 CC(N)C1=CC=C(C=C1)Cl Z56347112 [1,0,0,0,0,0|2,0,1]=4 89 B10R1.13 CC(N)C1=CC=C(C=C1)O Z1741968989 [1,0,0,0,0,0|1,0,1]=3 90 B10R1.13 CC(N)C1=CN=C(C=C1)O Z4423361180 [1,0,0,0,0,0|2,0,1]=4 91 B10R1.13 CC(O)C1=CC=C(C=C1)Br Z335244904 [1,0,0,0,0,0|1,0,1]=3 92 B10R1.13 CC(O)C1=CC=C(C=C1)Cl Z104479788 [1,0,0,0,0,0|1,0,1]=3 93 B10R1.13 CC(O)C1=CC=C(C=C1)F Z56347219 [1,0,0,0,0,0|1,0,1]=3 94 B10R1.13 CC(O)C1=CC=C(C=C1)I Z228586282 [1,0,0,0,0,0|1,0,1]=3 95 B10R1.13 CC(O)C1=NC=C(C=C1)F Z1255406174 [1,0,0,0,0,0|2,0,1]=4 96 B10R1.13 CC1=CC=C(C=C1)B(O)O Z336079532 [1,0,0,0,0,0|3,0,0]=4 97 B10R1.13 CC1=CC=C(C=C1)C(=O)O Z57902424 [1,0,0,0,0,0|2,0,1]=4 98 B10R1.13 CC1=CC=C(C=C1)C(C)C Z104497772 [1,0,0,0,0,0|2,0,1]=4 99 B10R1.13 CC1=CC=C(C=C1)[C@@H](C)O Z1127664396 [1,0,0,0,0,0|1,0,1]=3 100 B10R1.13 CC1=CC=C(C=C1)[C@H](C)O Z1127664278 [1,0,0,0,0,0|1,0,1]=3 101 B10R1.13 CN(C)C1=CC=C(C=C1)O Z137981254 [1,0,0,0,0,0|2,0,1]=4 102 B10R1.13 C[C@@H](O)C1=CC=C(C=C1)Br Z850973968 [1,0,0,0,0,0|1,0,1]=3 103 B10R1.13 C[C@@H](O)C1=CC=C(C=C1)I Z360055808 [1,0,0,0,0,0|1,0,1]=3 104 B10R1.13 C[C@H](N)C1=CC=C(C=C1)Br Z1869802525 [1,0,0,0,0,0|2,0,1]=4 105 B10R1.13 C[C@H](N)C1=CC=C(C=C1)I Z1696091699 [1,0,0,0,0,0|2,0,1]=4 106 B10R1.13 C[C@H](N)C1=CC=C(C=C1)O Z3183546879 [1,0,0,0,0,0|1,0,1]=3 107 B10R1.13 C[C@H](O)C1=CC=C(C=C1)Br Z850973970 [1,0,0,0,0,0|1,0,1]=3 108 B10R1.13 C[C@H](O)C1=CC=C(C=C1)I Z360055806 [1,0,0,0,0,0|1,0,1]=3 109 B10R1.13 N=C(N)C1=CC=C(C=C1)O Z1262398570 [1,0,0,0,0,0|1,0,2]=4 110 B10R1.13 NC(=O)C1=CC=C(C=C1)O Z104502228 [1,0,0,0,0,0|0,0,3]=4 111 B10R1.13 NC(=S)C1=CC=C(C=C1)O Z90124534 [1,0,0,0,0,0|0,1,2]=4 112 B10R1.13 NC1=CC=C(C=C1)B(O)O Z1741970842 [1,0,0,0,0,0|3,0,0]=4 113 B10R1.13 NC1=CC=C(C=C1)C(=O)O Z57127446 [1,0,0,0,0,0|2,0,1]=4 114 B10R1.13 NC1=CC=C(C=C1)C(F)F Z2900188029 [1,0,0,0,0,0|3,0,0]=4 115 B10R1.13 O=C(O)C1=CC=C(C=C1)Br Z57127530 [1,0,0,0,0,0|2,0,1]=4 116 B10R1.13 O=C(O)C1=CC=C(C=C1)Cl Z104473324 [1,0,0,0,0,0|2,0,1]=4 117 B10R1.13 O=C(O)C1=CC=C(C=C1)F Z57367354 [1,0,0,0,0,0|2,0,1]=4 118 B10R1.13 O=C(O)C1=CC=C(C=C1)I Z57636572 [1,0,0,0,0,0|2,0,1]=4 119 B10R1.13 O=C(O)C1=CC=C(C=C1)O Z104498098 [1,0,0,0,0,0|1,0,1]=3 120 B10R1.13 O=C(O)C1=CC=C(C=C1)S Z223639246 [1,0,0,0,0,0|1,1,1]=4 121 B10R1.13 O=C(O)C1=CN=C(C=C1)O Z104500708 [1,0,0,0,0,0|2,0,1]=4 122 B10R1.13 O=P(O)C1=CC=C(C=C1)Cl Z56798029 [1,0,0,0,0,0|3,0,0]=4 123 B10R1.13 O=[N+]([O-])C1=CC=C(C=C1)O Z57127483 [1,0,0,0,0,0|2,0,1]=4 124 B10R1.13 OB(O)C1=CC=C(C=C1)Br Z1169350731 [1,0,0,0,0,0|3,0,0]=4 125 B10R1.13 OB(O)C1=CC=C(C=C1)Cl Z295122658 [1,0,0,0,0,0|3,0,0]=4 126 B10R1.13 OB(O)C1=CC=C(C=C1)F Z381540956 [1,0,0,0,0,0|3,0,0]=4 127 B10R1.13 OB(O)C1=CC=C(C=C1)O Z336080006 [1,0,0,0,0,0|2,0,0]=3 128 B10R1.13 OC1=NC=C(C=C1)C(F)F Z1726130896 [1,0,0,0,0,0|3,0,0]=4 129 B10R1.15 C=CC(O)C1=CC=CC=C1 Z1255438717 [1,0,0,0,0,0|1,0,1]=3 130 B10R1.15 CC(C#N)C1=CC=NC=C1 Z415654740 [1,0,0,0,0,0|2,0,0]=3 131 B10R1.15 CC(C=O)C1=CC=CC=C1 Z104495674 [1,0,0,0,0,0|2,0,1]=4 132 B10R1.15 CC(CBr)C1=CC=CC=C1 Z756118300 [1,0,0,0,0,0|2,0,1]=4 133 B10R1.15 CCC(N)C1=CC=CC=C1 Z1262252904 [1,0,0,0,0,0|2,0,1]=4 134 B10R1.15 CCC(O)C1=CC=CC=C1 Z335245178 [1,0,0,0,0,0|1,0,1]=3 135 B10R1.15 CCC(O)C1=CC=NC=C1 Z513749638 [1,0,0,0,0,0|2,0,1]=4 136 B10R1.15 CNC(C)C1=CC=CC=C1 Z85917524 [1,0,0,0,0,0|3,0,0]=4 137 B10R1.15 C[C@H](CN)C1=CC=CC=C1 Z1203578128 [1,0,0,0,0,0|1,0,2]=4 138 B10R1.15 N#CC(Br)C1=CC=CC=C1 Z1198157485 [1,0,0,0,0,0|1,0,0]=2 139 B10R1.15 N#CC(N)C1=CN=CC=C1 Z4339467200 [1,0,0,0,0,0|2,0,0]=3 140 B10R1.15 NC(CO)C1=CC=CC=C1 Z381674942 [1,0,0,0,0,0|2,0,1]=4 141 B10R1.15 NCC(N)C1=CC=CC=C1 Z425861034 [1,0,0,0,0,0|1,0,2]=4 142 B10R1.15 NCC(O)C1=CC=CC=C1 Z104476088 [1,0,0,0,0,0|0,0,2]=3 143 B10R1.15 NCC(O)C1=CN=CC=C1 Z336086578 [1,0,0,0,0,0|1,0,2]=4 144 B10R1.15 NCC(O)C1=NC=CC=C1 Z802671456 [1,0,0,0,0,0|1,0,2]=4 145 B10R1.15 N[C@@H](CO)C1=CC=CC=C1 Z1201618614 [1,0,0,0,0,0|2,0,1]=4 146 B10R1.15 N[C@H](CO)C1=CC=CC=C1 Z1101444224 [1,0,0,0,0,0|2,0,1]=4 147 B10R1.15 OCC(O)C1=CC=NC=C1 Z2736474279 [1,0,0,0,0,0|2,0,1]=4 148 B10R1.15 OCC(O)C1=NC=CC=C1 Z4985119178 [1,0,0,0,0,0|2,0,1]=4 149 B12R1.5 CCC(N)C1=CC=C(C=C1)OC Z85929849 [0,1,0,0,0,0|2,0,1]=4 150 B12R1.5 CCC(O)C1=CC=C(C=C1)OC Z228586320 [0,1,0,0,0,0|1,0,1]=3 151 B12R1.5 CNC(C)C1=CC=C(C=C1)OC Z239628826 [0,1,0,0,0,0|3,0,0]=4 152 B12R1.5 COC1=CC=C(C=C1)C(C)C=O Z1255380175 [0,1,0,0,0,0|2,0,1]=4 153 B12R1.5 COC1=CC=C(C=C1)C(N)CO Z1263714101 [0,1,0,0,0,0|2,0,1]=4 154 B12R1.5 COC1=CC=C(C=C1)[C@H](C)C=O Z1511751525 [0,1,0,0,0,0|2,0,1]=4 155 B12R1.5 NCC(N)C1=CC=C(C=C1)CO Z3475823886 [0,1,0,0,0,0|1,0,2]=4 156 B12R1.9 CC(C)(C#N)C1=CC=C(C=C1)Br Z415650942 [0,1,0,0,0,0|2,0,0]=3 157 B12R1.9 CC(C)(CN)C1=CC=C(C=C1)O Z4309614316 [0,1,0,0,0,0|1,0,2]=4 158 B12R1.9 CC(N)(CO)C1=CC=C(C=C1)O Z2111443595 [0,1,0,0,0,0|2,0,1]=4 159 B12R1.9 CC(O)(CN)C1=CC=C(C=C1)F Z1020684278 [0,1,0,0,0,0|1,0,2]=4 160 B12R1.9 CC(O)(CO)C1=CC=C(C=C1)Br Z1537124450 [0,1,0,0,0,0|2,0,1]=4 161 B12R1.9 CC1=CC=C(C=C1)C(C)(C)C#N Z725146308 [0,1,0,0,0,0|2,0,0]=3 162 B12R1.9 CCC(C)(C)C1=CC=C(C=C1)O Z104477686 [0,1,0,0,0,0|2,0,1]=4 163 B12R1.9 CCC(C)(O)C1=CC=C(C=C1)Cl Z449374102 [0,1,0,0,0,0|2,0,1]=4 164 B12R1.9 N#CC(F)(F)C1=CC=C(C=C1)Cl Z425338126 [0,1,0,0,0,0|2,0,0]=3 165 B12R1.12 CC/C(=N/O)/C1=CC=C(C=C1)O Z49568596 [0,1,0,0,0,0|1,0,2]=4 166 B12R1.12 CC1=CC=C(C=C1)C(C#N)C=O Z1020843756 [0,1,0,0,0,0|1,0,1]=3 167 B12R1.12 CCC(C#N)C1=CC=C(C=C1)Cl Z1198339343 [0,1,0,0,0,0|2,0,0]=3 168 B12R1.12 CCN(C#N)C1=CC=C(C=C1)Cl Z1862008399 [0,1,0,0,0,0|3,0,0]=4 169 B12R1.12 CNC(CO)C1=CC=C(C=C1)Cl Z2235386839 [0,1,0,0,0,0|3,0,0]=4 170 B12R1.12 COC(C#N)C1=CC=C(C=C1)F Z1270207023 [0,1,0,0,0,0|1,0,0]=2 171 B12R1.12 COC(CN)C1=CC=C(C=C1)C Z4168346391 [0,1,0,0,0,0|1,0,2]=4 172 B12R1.12 COC(CN)C1=CC=C(C=C1)Cl Z838184210 [0,1,0,0,0,0|1,0,2]=4 173 B12R1.12 COC(CN)C1=CC=C(C=C1)F Z1278866649 [0,1,0,0,0,0|1,0,2]=4 174 B12R1.12 COC(CN)C1=CC=C(C=C1)O Z4639315632 [0,1,0,0,0,0|0,0,2]=3 175 B12R1.12 NCC(CO)C1=CC=C(C=C1)Cl Z2130644164 [0,1,0,0,0,0|1,0,2]=4 176 B12R1.12 NCC(CO)C1=CC=C(C=C1)F Z1269131038 [0,1,0,0,0,0|1,0,2]=4 177 B12R1.12 OCC(CO)C1=CC=C(C=C1)Cl Z1198166557 [0,1,0,0,0,0|2,0,1]=4 178 B12R1.12 OCC(CO)C1=CC=C(C=C1)O Z1513899322 [0,1,0,0,0,0|1,0,1]=3 179 B12R1.16 CC1=CC=C(C=C1)C(=O)CC#N Z317042080 [0,1,0,0,0,0|1,0,2]=4 180 B12R1.16 CN(CC#N)C1=CC=C(C=C1)F Z645126996 [0,1,0,0,0,0|3,0,0]=4 181 B12R1.16 CNCC(O)C1=CC=C(C=C1)F Z1263820285 [0,1,0,0,0,0|1,0,2]=4 182 B12R1.16 N#C/C=C(\Cl)/C1=CC=C(C=C1)F Z56943822 [0,1,0,0,0,0|2,0,1]=4 183 B12R1.16 N#CCC(=O)C1=CC=C(C=C1)Br Z317042050 [0,1,0,0,0,0|1,0,2]=4 184 B12R1.16 N#CCC(=O)C1=CC=C(C=C1)Cl Z56963409 [0,1,0,0,0,0|1,0,2]=4 185 B12R1.16 N#CCC(=O)C1=CC=C(C=C1)F Z104520972 [0,1,0,0,0,0|1,0,2]=4 186 B12R1.20 CC(C)C(O)C1=CC=C(C=C1)Cl Z513748660 [0,1,0,0,0,0|2,0,1]=4 187 B12R1.20 CC(N)C(O)C1=CC=C(C=C1)Br Z336086694 [0,1,0,0,0,0|1,0,2]=4 188 B12R1.20 CC(N)C(O)C1=CC=C(C=C1)F Z336086696 [0,1,0,0,0,0|1,0,2]=4 189 B12R1.20 N[C@@H](C(=O)O)C1=CC=C(C=C1)O Z1198149764 [0,1,0,0,0,0|2,0,1]=4 190 B12R1.20 N[C@H](C(=O)O)C1=CC=C(C=C1)O Z1255364887 [0,1,0,0,0,0|2,0,1]=4 191 B12R1.20 O=C(O)C(O)C1=CC=C(C=C1)Br Z788000726 [0,1,0,0,0,0|2,0,1]=4 192 B12R1.367 CCC(C)C1=CC(=C(C=C1)O)N Z57441610 [0,1,0,0,0,0|2,0,1]=4 193 B12R1.367 CCC(O)C1=CC(=C(C=C1)Cl)Cl Z235447502 [0,1,0,0,0,0|2,0,1]=4 194 B12R1.367 CC[C@@H](O)C1=CC(=C(C=C1)Cl)Cl Z1483951050 [0,1,0,0,0,0|2,0,1]=4 195 B12R1.367 CC[C@H](O)C1=CC(=C(C=C1)C)F Z1255444475 [0,1,0,0,0,0|2,0,1]=4 196 B12R1.367 N#CC(N)C1=CC(=C(C=C1)Cl)Cl Z1263529620 [0,1,0,0,0,0|2,0,0]=3 197 B12R1.367 N#CC(N)C1=CC(=C(C=C1)F)F Z2489380841 [0,1,0,0,0,0|2,0,0]=3 198 B12R1.367 NCC(O)C1=CC(=C(C=C1)F)F Z330910382 [0,1,0,0,0,0|1,0,2]=4 199 B12R1.367 OCC(O)C1=CC(=C(C=C1)Cl)F Z1537124099 [0,1,0,0,0,0|2,0,1]=4 200 B12R1.1703 C#CC(N)C1=C(C=C(C=C1)Cl)F Z2065464339 [0,1,0,0,0,0|3,0,0]=4 201 B12R1.1703 CCC(O)C1=C(C=C(C=C1)Cl)F Z1082848670 [0,1,0,0,0,0|2,0,1]=4 202 B12R1.1703 CCC(O)C1=C(C=C(C=C1)F)F Z756131106 [0,1,0,0,0,0|2,0,1]=4 203 B12R1.1703 N#CC(N)C1=C(C=C(C=C1)Cl)Cl Z247612606 [0,1,0,0,0,0|2,0,0]=3 204 B12R1.1703 NCC(O)C1=C(C=C(C=C1)Cl)Cl Z336086576 [0,1,0,0,0,0|1,0,2]=4 205 B12R1.1703 NCC(O)C1=C(C=C(C=C1)F)F Z330910386 [0,1,0,0,0,0|1,0,2]=4 206 B12R2.79 C[C@@H]1O[C@H]1C2=CC=C(C=C2)Cl Z3074487523 [0,0,0,1,0,0|2,0,1]=4 207 B12R2.79 C[C@@H]1O[C@H]1C2=CC=C(C=C2)F Z2527567177 [0,0,0,1,0,0|2,0,1]=4 208 B12R2.612 OC1CCC2=C1C=CC(=C2)Br Z756050350 [0,0,0,1,0,0|2,0,1]=4 209 B12R2.612 OC1CCC2=C1C=CC(=C2)F Z1198318486 [0,0,0,1,0,0|2,0,1]=4 210 B12R2.612 OC1COC2=C1C=CC(=C2)Br Z1362940613 [0,0,0,1,0,0|2,0,1]=4 211 B12R2.612 OC1COC2=C1C=CC(=C2)Cl Z1362956560 [0,0,0,1,0,0|2,0,1]=4 212 B12R2.612 OC1CSC2=C1C=CC(=C2)Br Z1862026249 [0,0,0,1,0,0|2,0,1]=4 213 B12R2.612 O[C@@H]1CCC2=C1C=CC(=C2)Br Z1269146008 [0,0,0,1,0,0|2,0,1]=4 214 B12R2.612 O[C@@H]1CCC2=C1C=CC(=C2)Cl Z959151848 [0,0,0,1,0,0|2,0,1]=4 215 B12R2.612 O[C@@H]1CCC2=C1C=CC(=C2)F Z959151860 [0,0,0,1,0,0|2,0,1]=4 216 B12R2.612 O[C@H]1CCC2=C1C=CC(=C2)Cl Z959151850 [0,0,0,1,0,0|2,0,1]=4 217 B12R2.612 O[C@H]1CCC2=C1C=CC(=C2)F Z959151856 [0,0,0,1,0,0|2,0,1]=4 218 B12R2.2302 OC1=CC=C(C=C1)C2CCC2 Z1486032779 [0,0,0,1,0,0|2,0,1]=4 219 B12R1.49 CC(C#N)SC1=CC=C(C=C1)Br Z18744283 [0,0,0,0,0,1|2,0,0]=3 220 B12R1.49 CC(C#N)SC1=CC=C(C=C1)Cl Z19728690 [0,0,0,0,0,1|2,0,0]=3 221 B12R1.49 CC(C#N)SC1=CC=C(C=C1)F Z16034530 [0,0,0,0,0,1|2,0,0]=3 222 B12R1.49 CC1=CC=C(C=C1)CC(Br)C#N Z85923462 [0,0,0,0,0,1|2,0,0]=3 223 B12R1.49 CC1=CC=C(C=C1)SC(C)C#N Z45224430 [0,0,0,0,0,1|2,0,0]=3 224 B12R1.49 CC1=CN=C(C=C1)SC(C)C#N Z441333462 [0,0,0,0,0,1|3,0,0]=4 225 B12R1.49 CCC(C)OC1=CC=C(C=C1)O Z381414944 [0,0,0,0,0,1|2,0,1]=4 226 B12R1.49 CCC(N)CC1=CC=C(C=C1)O Z1815149210 [0,0,0,0,0,1|2,0,1]=4 227 B12R1.49 CCC(O)CC1=CC=C(C=C1)C Z513751166 [0,0,0,0,0,1|2,0,1]=4 228 B12R1.49 NCC(O)CC1=CC=C(C=C1)Br Z4990293859 [0,0,0,0,0,1|1,0,2]=4 229 B12R1.49 N[C@@H](CO)CC1=CC=C(C=C1)O Z295456854 [0,0,0,0,0,1|2,0,1]=4 230 B12R1.49 N[C@H](CO)CC1=CC=C(C=C1)O Z203038576 [0,0,0,0,0,1|2,0,1]=4 231 B9R1.1 CC1=CC=C(C=C1)C#N Z56965882 [2,0,0,0,0,0|1,0,0]=3 232 B9R1.1 CC1=CN=C(C=C1)CO Z1198270889 [2,0,0,0,0,0|2,0,0]=4 233 B9R1.1 CC1=NC=C(C=C1)C#N Z362778572 [2,0,0,0,0,0|2,0,0]=4 234 B9R1.1 CC1=NC=C(C=C1)CO Z397587474 [2,0,0,0,0,0|2,0,0]=4 235 B9R1.1 CCC1=CC=C(C=C1)I Z381540768 [2,0,0,0,0,0|1,0,1]=4 236 B9R1.1 CCC1=CC=C(C=C1)N Z104477836 [2,0,0,0,0,0|1,0,1]=4 237 B9R1.1 CCC1=CC=C(C=C1)O Z104479728 [2,0,0,0,0,0|0,0,1]=3 238 B9R1.1 CNC1=CC=C(C=C1)O Z940713298 [2,0,0,0,0,0|1,0,1]=4 239 B9R1.1 COC1=CC=C(C=C1)O Z104474598 [2,0,0,0,0,0|1,0,1]=4 240 B9R1.1 FC1=CC=C(C=C1)CBr Z89269613 [2,0,0,0,0,0|2,0,0]=4 241 B9R1.1 N#CC1=CC=C(C=C1)Br Z55928801 [2,0,0,0,0,0|1,0,0]=3 242 B9R1.1 N#CC1=CC=C(C=C1)Cl Z56942044 [2,0,0,0,0,0|1,0,0]=3 243 B9R1.1 N#CC1=CC=C(C=C1)I Z57899725 [2,0,0,0,0,0|1,0,0]=3 244 B9R1.1 N#CC1=CC=C(C=C1)N Z57073771 [2,0,0,0,0,0|1,0,0]=3 245 B9R1.1 N#CC1=CC=C(C=C1)O Z104473840 [2,0,0,0,0,0|0,0,0]=2 246 B9R1.1 N#CC1=CN=C(C=C1)N Z295203362 [2,0,0,0,0,0|2,0,0]=4 247 B9R1.1 N#CC1=CN=C(C=C1)S Z271138138 [2,0,0,0,0,0|1,1,0]=4 248 B9R1.1 N#CC1=CNC(=O)C=C1 Z217164566 [2,0,0,0,0,0|1,0,1]=4 249 B9R1.1 N#CC1=NC=C(C=C1)Br Z1079179246 [2,0,0,0,0,0|2,0,0]=4 250 B9R1.1 N#CC1=NC=C(C=C1)N Z1065674734 [2,0,0,0,0,0|2,0,0]=4 251 B9R1.1 N#CC1=NC=C(C=N1)O Z1255431911 [2,0,0,0,0,0|2,0,0]=4 252 B9R1.1 NC1=NC=C(C=C1)CO Z960446254 [2,0,0,0,0,0|2,0,0]=4 253 B9R1.1 NCC1=CC=C(C=C1)F Z54748266 [2,0,0,0,0,0|1,0,1]=4 254 B9R1.1 NCC1=CC=C(C=C1)O Z235348101 [2,0,0,0,0,0|0,0,1]=3 255 B9R1.1 NCC1=CN=C(C=C1)O Z1269638445 [2,0,0,0,0,0|1,0,1]=4 256 B9R1.1 NCC1=NC=C(C=C1)O Z3324887230 [2,0,0,0,0,0|1,0,1]=4 257 B9R1.1 O=CC1=CC=C(C=C1)O Z57127520 [2,0,0,0,0,0|0,0,2]=4 258 B9R1.1 OCC1=CC=C(C=C1)Br Z335244742 [2,0,0,0,0,0|1,0,0]=3 259 B9R1.1 OCC1=CC=C(C=C1)Cl Z104478032 [2,0,0,0,0,0|1,0,0]=3 260 B9R1.1 OCC1=CC=C(C=C1)F Z104477460 [2,0,0,0,0,0|1,0,0]=3 261 B9R1.1 OCC1=CC=C(C=C1)I Z385370342 [2,0,0,0,0,0|1,0,0]=3 262 B9R1.1 OCC1=NC=C(C=C1)Br Z1065600752 [2,0,0,0,0,0|2,0,0]=4 263 B9R1.1 OCC1=NC=C(C=C1)Cl Z1198272591 [2,0,0,0,0,0|2,0,0]=4 264 B9R1.1 OCC1=NC=C(C=C1)O Z1217915045 [2,0,0,0,0,0|1,0,0]=3 265 B9R1.1 SCC1=CC=C(C=C1)Cl Z55948216 [2,0,0,0,0,0|1,1,0]=4 266 B9R1.8 CCCC1=CC=CC=C1 Z104479154 [2,0,0,0,0,0|1,0,1]=4 267 B9R1.8 N#CCC1=CN=CC=C1 Z239871646 [2,0,0,0,0,0|1,0,0]=3 268 B9R1.8 N#CCC1=NC=CC=C1 Z104476888 [2,0,0,0,0,0|1,0,0]=3 269 B9R1.8 N#CCC1=NC=CN=C1 Z1098233793 [2,0,0,0,0,0|2,0,0]=4 270 B9R1.8 N#CCC1=NC=NC=C1 Z1098233919 [2,0,0,0,0,0|2,0,0]=4 271 B9R1.8 N#COC1=CC=CC=C1 Z1198165353 [2,0,0,0,0,0|1,0,0]=3 272 B9R1.8 NNCC1=CC=CC=C1 Z56969306 [2,0,0,0,0,0|1,0,1]=4 273 B9R1.8 NOCC1=CC=CC=C1 Z90668722 [2,0,0,0,0,0|1,0,1]=4 274 B9R1.8 O=CCC1=CC=CC=C1 Z104472146 [2,0,0,0,0,0|1,0,1]=4 275 B9R1.8 OCCC1=CC=CC=C1 Z104473586 [2,0,0,0,0,0|1,0,1]=4 276 B9R1.6 CC(N)C1=CC=CC=C1 Z57102377 [2,0,0,0,0,0|1,0,1]=4 277 B9R1.6 CC(O)C1=CC=CC=C1 Z104494956 [2,0,0,0,0,0|0,0,1]=3 278 B9R1.6 CC(O)C1=CC=NC=C1 Z335245082 [2,0,0,0,0,0|1,0,1]=4 279 B9R1.6 CC(O)C1=CN=CC=C1 Z335245084 [2,0,0,0,0,0|1,0,1]=4 280 B9R1.6 CC(O)C1=NC=CC=C1 Z335244914 [2,0,0,0,0,0|1,0,1]=4 281 B9R1.6 C[C@@H](N)C1=CC=CC=C1 Z1079183182 [2,0,0,0,0,0|1,0,1]=4 282 B9R1.6 C[C@@H](O)C1=CC=CC=C1 Z360055166 [2,0,0,0,0,0|0,0,1]=3 283 B9R1.6 C[C@H](N)C1=CC=CC=C1 Z1079131570 [2,0,0,0,0,0|1,0,1]=4 284 B9R1.6 C[C@H](O)C1=CC=CC=C1 Z360055168 [2,0,0,0,0,0|0,0,1]=3 285 B9R1.6 O=C(O)C1=CC=CC=C1 Z57127480 [2,0,0,0,0,0|1,0,1]=4 286 B9R1.6 OB(O)C1=CC=CC=C1 Z111782400 [2,0,0,0,0,0|2,0,0]=4 287 B11R1.1 C#CCNC1=CC=C(C=C1)C Z266486858 [1,1,0,0,0,0|2,0,0]=4 288 B11R1.1 C#CCNC1=CC=C(C=C1)Cl Z3210379676 [1,1,0,0,0,0|2,0,0]=4 289 B11R1.1 C#CCNC1=CC=C(C=C1)F Z3210380008 [1,1,0,0,0,0|2,0,0]=4 290 B11R1.1 C#CCOC1=CC=C(C=C1)Br Z54475590 [1,1,0,0,0,0|2,0,0]=4 291 B11R1.1 C#CCOC1=CC=C(C=C1)C Z54775509 [1,1,0,0,0,0|2,0,0]=4 292 B11R1.1 C#CCOC1=CC=C(C=C1)Cl Z54472184 [1,1,0,0,0,0|2,0,0]=4 293 B11R1.1 C#CCOC1=CC=C(C=C1)F Z54473259 [1,1,0,0,0,0|2,0,0]=4 294 B11R1.1 C#CCOC1=CC=C(C=C1)N Z730512948 [1,1,0,0,0,0|2,0,0]=4 295 B11R1.1 C=CCOC1=CC=C(C=C1)O Z381414818 [1,1,0,0,0,0|1,0,1]=4 296 B11R1.1 CC1=CC=C(C=C1)NCC#N Z56855172 [1,1,0,0,0,0|1,0,0]=3 297 B11R1.1 CC1=CC=C(C=C1)SCC#N Z54591058 [1,1,0,0,0,0|1,0,0]=3 298 B11R1.1 COCCC1=CC=C(C=C1)O Z104485614 [1,1,0,0,0,0|1,0,1]=4 299 B11R1.1 N#C/C=C/C1=CC=C(C=C1)Cl Z57640817 [1,1,0,0,0,0|1,0,1]=4 300 B11R1.1 N#CCCC1=CC=C(C=C1)N Z4750298565 [1,1,0,0,0,0|1,0,0]=3 301 B11R1.1 N#CCNC1=CC=C(C=C1)Br Z266466556 [1,1,0,0,0,0|1,0,0]=3 302 B11R1.1 N#CCOC1=CC=C(C=C1)Cl Z54608574 [1,1,0,0,0,0|1,0,0]=3 303 B11R1.1 N#CCOC1=CC=C(C=C1)F Z53791434 [1,1,0,0,0,0|1,0,0]=3 304 B11R1.1 N#CCOC1=CC=C(C=C1)N Z57052858 [1,1,0,0,0,0|1,0,0]=3 305 B11R1.1 N#CCSC1=CC=C(C=C1)Br Z18744575 [1,1,0,0,0,0|1,0,0]=3 306 B11R1.1 N#CCSC1=CC=C(C=C1)Cl Z19728982 [1,1,0,0,0,0|1,0,0]=3 307 B11R1.1 N#CCSC1=CC=C(C=C1)F Z16034822 [1,1,0,0,0,0|1,0,0]=3 308 B11R1.1 NCCCC1=CC=C(C=C1)O Z1270210797 [1,1,0,0,0,0|0,0,2]=4 309 B11R1.1 NCCNC1=CC=C(C=C1)O Z3386315806 [1,1,0,0,0,0|0,0,2]=4 310 B11R1.1 OCCOC1=CC=C(C=C1)O Z381414946 [1,1,0,0,0,0|1,0,1]=4 311 B11R1.20 CC(N)CC1=CC=C(C=C1)O Z57102382 [1,1,0,0,0,0|0,0,2]=4 312 B11R1.81 CC1=C(C=CC(=C1)Br)CC#N Z1269226853 [1,1,0,0,0,0|1,0,0]=3 313 B11R1.81 CC1=C(C=CC(=C1)Cl)CC#N Z1198263432 [1,1,0,0,0,0|1,0,0]=3 314 B11R1.81 CC1=C(C=CC(=C1)F)CC#N Z1198164414 [1,1,0,0,0,0|1,0,0]=3 315 B11R1.81 CC1=C(C=CC(=N1)Cl)CC#N Z1198263969 [1,1,0,0,0,0|2,0,0]=4 316 B11R1.81 COCC1=C(C=C(C=C1)O)F Z1551937213 [1,1,0,0,0,0|2,0,0]=4 317 B11R1.81 N#CCC1=C(C=C(C=C1)Br)Cl Z1269172560 [1,1,0,0,0,0|1,0,0]=3 318 B11R1.81 N#CCC1=C(C=C(C=C1)Br)I Z1269139987 [1,1,0,0,0,0|1,0,0]=3 319 B11R1.81 N#CCC1=C(C=C(C=C1)Cl)Br Z1269120223 [1,1,0,0,0,0|1,0,0]=3 320 B11R1.81 N#CCC1=C(C=C(C=C1)Cl)Cl Z104477208 [1,1,0,0,0,0|1,0,0]=3 321 B11R1.81 N#CCC1=C(C=C(C=C1)Cl)F Z1201620925 [1,1,0,0,0,0|1,0,0]=3 322 B11R1.81 N#CCC1=C(C=C(C=C1)F)Cl Z285184576 [1,1,0,0,0,0|1,0,0]=3 323 B11R1.81 N#CCC1=C(C=C(C=C1)F)F Z963395642 [1,1,0,0,0,0|1,0,0]=3 324 B11R1.81 NCCC1=C(C=C(C=C1)O)O Z1166113553 [1,1,0,0,0,0|0,0,2]=4 325 B11R1.81 OCCC1=C(C=C(C=C1)O)O Z1513827466 [1,1,0,0,0,0|1,0,1]=4 326 B11R1.83 CNCC1=CC=C(C=C1)CO Z5435726703 [1,1,0,0,0,0|2,0,0]=4 327 B11R1.83 CNCC1=CC=C(C=C1)OC Z56928625 [1,1,0,0,0,0|2,0,0]=4 328 B11R1.83 COC1=CC=C(C=C1)CC#N Z104476452 [1,1,0,0,0,0|0,0,0]=2 329 B11R1.83 COC1=CC=C(C=C1)CC=O Z993017620 [1,1,0,0,0,0|1,0,1]=4 330 B11R1.83 COC1=CC=C(C=C1)CCN Z104476454 [1,1,0,0,0,0|0,0,2]=4 331 B11R1.83 COC1=NC=C(C=C1)CC#N Z1198263571 [1,1,0,0,0,0|1,0,0]=3 332 B11R1.83 COCC1=CC=C(C=C1)CO Z1255394253 [1,1,0,0,0,0|2,0,0]=4 333 B11R1.83 CSC1=CC=C(C=C1)CC#N Z1114998149 [1,1,0,0,0,0|0,1,0]=3 334 B11R1.83 N#CCC1=CC=C(C=C1)C=O Z1255373857 [1,1,0,0,0,0|0,0,1]=3 335 B11R1.83 NCCC1=CC=C(C=C1)CO Z3243654196 [1,1,0,0,0,0|0,0,2]=4 336 B11R1.192 CC1=C(C=C(C=C1)CC#N)Br Z1269175660 [1,1,0,0,0,0|1,0,0]=3 337 B11R1.192 CC1=C(C=C(C=C1)CC#N)Cl Z1198263502 [1,1,0,0,0,0|1,0,0]=3 338 B11R1.192 CC1=C(C=CC(=C1)CC#N)Br Z1269136507 [1,1,0,0,0,0|1,0,0]=3 339 B11R1.192 CC1=C(C=CC(=C1)CC#N)O Z1255368240 [1,1,0,0,0,0|0,0,0]=2 340 B11R1.192 CC1=C(C=CC(=C1)SC#N)N Z56938016 [1,1,0,0,0,0|2,0,0]=4 341 B11R1.192 N#CCC1=CC(=C(C=C1)Br)Cl Z1269153504 [1,1,0,0,0,0|1,0,0]=3 342 B11R1.192 N#CCC1=CC(=C(C=C1)Cl)Cl Z111875426 [1,1,0,0,0,0|1,0,0]=3 343 B11R1.192 N#CCC1=CC(=C(C=C1)F)Br Z285131462 [1,1,0,0,0,0|1,0,0]=3 344 B11R1.192 N#CCC1=CC(=C(C=C1)F)F Z1187714535 [1,1,0,0,0,0|1,0,0]=3 345 B11R1.192 N#CCC1=CC(=C(C=C1)N)Cl Z1255382501 [1,1,0,0,0,0|1,0,0]=3 346 B11R1.192 N#CSC1=CC(=C(C=C1)N)Br Z56939299 [1,1,0,0,0,0|2,0,0]=4 347 B11R1.192 N#CSC1=CC(=C(C=C1)N)Cl Z56933846 [1,1,0,0,0,0|2,0,0]=4 348 B11R1.192 N#CSC1=CC(=C(C=C1)N)F Z56938017 [1,1,0,0,0,0|2,0,0]=4 349 B11R1.192 NCCC1=CC(=C(C=C1)O)O Z104474032 [1,1,0,0,0,0|0,0,2]=4 350 B11R1.192 OCCC1=CC(=C(C=C1)O)Cl Z1250886915 [1,1,0,0,0,0|1,0,1]=4 351 B11R1.3 CC(C)C1=CC=C(C=C1)CO Z56347221 [1,1,0,0,0,0|1,0,1]=4 352 B11R1.3 CC(O)C1=CC=C(C=C1)C#N Z335245074 [1,1,0,0,0,0|1,0,1]=4 353 B11R1.3 COC1=CC=C(C=C1)B(O)O Z336079536 [1,1,0,0,0,0|2,0,0]=4 354 B11R1.3 COC1=CC=C(C=C1)C(=O)O Z56931884 [1,1,0,0,0,0|1,0,1]=4 355 B11R1.3 COC1=CC=C(C=C1)C(C)O Z335245134 [1,1,0,0,0,0|0,0,1]=3 356 B11R1.3 COC1=CC=C(C=C1)[C@@H](C)O Z360055358 [1,1,0,0,0,0|0,0,1]=3 357 B11R1.3 COC1=CC=C(C=C1)[C@H](C)O Z360055354 [1,1,0,0,0,0|0,0,1]=3 358 B11R1.3 O=C(O)C1=CC=C(C=C1)CO Z56917404 [1,1,0,0,0,0|1,0,1]=4 359 B11R1.3 OCC1=CC=C(C=C1)B(O)O Z1203162320 [1,1,0,0,0,0|2,0,0]=4 360 B11R1.19 CC(C)(C)C1=CC=C(C=C1)O Z57127886 [1,1,0,0,0,0|1,0,1]=4 361 B11R1.19 CC(C)(O)C1=CC=C(C=C1)Br Z449374220 [1,1,0,0,0,0|1,0,1]=4 362 B11R1.19 CC(C)(O)C1=CC=C(C=C1)O Z1198750150 [1,1,0,0,0,0|0,0,1]=3 363 B11R1.19 O=S(=O)(O)C1=CC=C(C=C1)O Z2583059497 [1,1,0,0,0,0|2,0,0]=4 364 B11R1.19 OC1=CC=C(C=C1)C(F)(F)F Z56347220 [1,1,0,0,0,0|2,0,0]=4 365 B11R1.21 CC(C)C1=CC(=C(C=C1)O)N Z57441596 [1,1,0,0,0,0|1,0,1]=4 366 B11R1.21 CC(N)C1=CC(=C(C=C1)O)O Z4958589100 [1,1,0,0,0,0|1,0,1]=4 367 B11R1.21 CC(O)C1=CC(=C(C=C1)Br)F Z1436188584 [1,1,0,0,0,0|1,0,1]=4 368 B11R1.21 CC(O)C1=CC(=C(C=C1)Cl)Cl Z335245002 [1,1,0,0,0,0|1,0,1]=4 369 B11R1.21 CC(O)C1=CC(=C(C=C1)F)Cl Z335438560 [1,1,0,0,0,0|1,0,1]=4 370 B11R1.21 CC(O)C1=CC(=C(C=C1)F)F Z228586306 [1,1,0,0,0,0|1,0,1]=4 371 B11R1.21 CC1=C(C=C(C=C1)[C@@H](C)O)C Z360055396 [1,1,0,0,0,0|1,0,1]=4 372 B11R1.21 CC1=C(C=C(C=C1)[C@H](C)O)C Z360055400 [1,1,0,0,0,0|1,0,1]=4 373 B11R1.21 CC1=C(C=CC(=C1)C(=O)O)O Z995149794 [1,1,0,0,0,0|1,0,1]=4 374 B11R1.21 C[C@@H](O)C1=CC(=C(C=C1)Cl)Cl Z360055342 [1,1,0,0,0,0|1,0,1]=4 375 B11R1.21 C[C@@H](O)C1=CC(=C(C=C1)F)Cl Z1127664454 [1,1,0,0,0,0|1,0,1]=4 376 B11R1.21 C[C@@H](O)C1=CC(=C(C=C1)F)F Z360055916 [1,1,0,0,0,0|1,0,1]=4 377 B11R1.21 C[C@H](O)C1=CC(=C(C=C1)Cl)Cl Z360055344 [1,1,0,0,0,0|1,0,1]=4 378 B11R1.21 C[C@H](O)C1=CC(=C(C=C1)F)Br Z360056260 [1,1,0,0,0,0|1,0,1]=4 379 B11R1.21 C[C@H](O)C1=CC(=C(C=C1)F)Cl Z1127664340 [1,1,0,0,0,0|1,0,1]=4 380 B11R1.21 C[C@H](O)C1=CC(=C(C=C1)F)F Z360055912 [1,1,0,0,0,0|1,0,1]=4 381 B11R1.21 O=C(O)C1=CC(=C(C=C1)O)Br Z57985393 [1,1,0,0,0,0|1,0,1]=4 382 B11R1.21 O=C(O)C1=CC(=C(C=C1)O)Cl Z104503564 [1,1,0,0,0,0|1,0,1]=4 383 B11R1.21 O=C(O)C1=CC(=C(C=C1)O)F Z57073754 [1,1,0,0,0,0|1,0,1]=4 384 B11R1.21 O=C(O)C1=CC(=C(C=C1)O)O Z104501142 [1,1,0,0,0,0|1,0,1]=4 385 B11R1.166 CC(O)C1=C(C=C(C=C1)Br)F Z1171210737 [1,1,0,0,0,0|1,0,1]=4 386 B11R1.166 CC(O)C1=C(C=C(C=C1)Cl)Cl Z335245158 [1,1,0,0,0,0|1,0,1]=4 387 B11R1.166 CC(O)C1=C(C=C(C=C1)F)F Z228586308 [1,1,0,0,0,0|1,0,1]=4 388 B11R1.166 CC1=C(C=CC(=C1)O)C(=O)O Z1255361025 [1,1,0,0,0,0|1,0,1]=4 389 B11R1.166 CC1=C(C=CC(=C1)O)C(C)C Z104476618 [1,1,0,0,0,0|1,0,1]=4 390 B11R1.166 CC1=CC(=C(C=C1)[C@@H](C)O)C Z360055782 [1,1,0,0,0,0|1,0,1]=4 391 B11R1.166 CC1=CC(=C(C=C1)[C@H](C)O)C Z360055778 [1,1,0,0,0,0|1,0,1]=4 392 B11R1.166 C[C@@H](O)C1=C(C=C(C=C1)F)Cl Z360056250 [1,1,0,0,0,0|1,0,1]=4 393 B11R1.166 C[C@@H](O)C1=C(C=C(C=C1)F)F Z360055930 [1,1,0,0,0,0|1,0,1]=4 394 B11R1.166 C[C@H](O)C1=C(C=C(C=C1)F)Cl Z360056244 [1,1,0,0,0,0|1,0,1]=4 395 B11R1.166 C[C@H](O)C1=C(C=C(C=C1)F)F Z360055924 [1,1,0,0,0,0|1,0,1]=4 396 B11R1.166 O=C(O)C1=C(C=C(C=C1)O)F Z1201620915 [1,1,0,0,0,0|1,0,1]=4 397 B11R1.166 O=C(O)C1=C(C=C(C=C1)O)O Z104502292 [1,1,0,0,0,0|1,0,1]=4 398 B11R1.7 CC(C)(C#N)C1=CC=CC=C1 Z339435272 [1,1,0,0,0,0|1,0,0]=3 399 B11R1.7 CC(F)(C#N)C1=CC=CC=C1 Z1695669743 [1,1,0,0,0,0|1,0,0]=3 400 B11R1.7 CC(O)(CN)C1=CC=CC=C1 Z979721628 [1,1,0,0,0,0|0,0,2]=4 401 B11R1.7 CCC(C)(O)C1=CC=CC=C1 Z449373348 [1,1,0,0,0,0|1,0,1]=4 402 B11R1.7 N#CC(F)(F)C1=CC=CC=C1 Z228584458 [1,1,0,0,0,0|1,0,0]=3 403 B11R1.12 CCC(CO)C1=CC=CC=C1 Z397587442 [1,1,0,0,0,0|1,0,1]=4 404 B11R1.12 CCN(C#N)C1=CC=CC=C1 Z1374910132 [1,1,0,0,0,0|2,0,0]=4 405 B11R1.12 CNC(CO)C1=CC=CC=C1 Z734147276 [1,1,0,0,0,0|2,0,0]=4 406 B11R1.12 COC(CN)C1=CC=CC=C1 Z285139084 [1,1,0,0,0,0|0,0,2]=4 407 B11R1.12 N#CC(C=O)C1=CC=CC=C1 Z57912400 [1,1,0,0,0,0|0,0,1]=3 408 B11R1.12 NCC(CO)C1=CC=CC=C1 Z1198168251 [1,1,0,0,0,0|0,0,2]=4 409 B11R1.12 OCC(CO)C1=CC=CC=C1 Z1255395467 [1,1,0,0,0,0|1,0,1]=4 410 B11R1.16 C#CCC(O)C1=CC=CC=C1 Z932373338 [1,1,0,0,0,0|1,0,0]=3 411 B11R1.16 CC(CC#N)C1=CC=CC=C1 Z1251357056 [1,1,0,0,0,0|1,0,0]=3 412 B11R1.16 CCCC(O)C1=CC=CC=C1 Z335244704 [1,1,0,0,0,0|1,0,1]=4 413 B11R1.16 N#C/C=C(\Cl)/C1=CC=CC=C1 Z56912627 [1,1,0,0,0,0|1,0,1]=4 414 B11R1.16 N#C/C=C(\N)/C1=CC=CC=C1 Z2259146567 [1,1,0,0,0,0|1,0,1]=4 415 B11R1.16 N#CCC(=O)C1=CC=CC=C1 Z56899088 [1,1,0,0,0,0|0,0,2]=4 416 B11R1.16 N#CCC(N)C1=CC=CC=C1 Z1415893991 [1,1,0,0,0,0|1,0,0]=3 417 B11R1.16 N#CNC(=O)C1=CC=CC=C1 Z276572712 [1,1,0,0,0,0|0,0,2]=4 418 B11R1.16 NCCC(O)C1=CC=CC=C1 Z1020673398 [1,1,0,0,0,0|0,0,2]=4 419 B11R1.16 O[C@@H](CCCl)C1=CC=CC=C1 Z1255427232 [1,1,0,0,0,0|1,0,1]=4 420 B11R1.16 O[C@H](CCCl)C1=CC=CC=C1 Z1255356297 [1,1,0,0,0,0|1,0,1]=4 421 B11R1.23 C#CC(N)C1=CC(=CC=C1)Br Z4120296552 [1,1,0,0,0,0|2,0,0]=4 422 B11R1.23 CC(C#N)C1=CC(=CC=C1)F Z415654674 [1,1,0,0,0,0|1,0,0]=3 423 B11R1.23 CC1=CC(=CC=C1)C(O)CN Z336086464 [1,1,0,0,0,0|0,0,2]=4 424 B11R1.23 CCC(O)C1=CC(=CC=C1)Br Z228586280 [1,1,0,0,0,0|1,0,1]=4 425 B11R1.23 CCC(O)C1=CC(=CC=C1)Cl Z335245132 [1,1,0,0,0,0|1,0,1]=4 426 B11R1.23 CCC(O)C1=CC(=CC=C1)N Z1262626036 [1,1,0,0,0,0|1,0,1]=4 427 B11R1.23 N#CC(N)C1=CC(=CC=C1)Cl Z398556966 [1,1,0,0,0,0|1,0,0]=3 428 B11R1.23 NC1=CC(=CC=C1)C(O)CO Z970072128 [1,1,0,0,0,0|1,0,1]=4 429 B11R1.23 NCC(O)C1=CC(=CC=C1)Cl Z330910384 [1,1,0,0,0,0|0,0,2]=4 430 B11R1.23 NCC(O)C1=CC(=CC=C1)O Z3041501762 [1,1,0,0,0,0|0,0,2]=4 431 B11R1.36 O=C(O)C(O)C1=CC=CC=C1 Z104473974 [1,1,0,0,0,0|1,0,1]=4 432 B11R1.36 O=C(O)[C@@H](O)C1=CC=CC=C1 Z1201618616 [1,1,0,0,0,0|1,0,1]=4 433 B11R1.36 O=C(O)[C@H](O)C1=CC=CC=C1 Z1255390767 [1,1,0,0,0,0|1,0,1]=4 434 B11R1.222 CC1=C(C=CC=C1)C(C)C#N Z415654748 [1,1,0,0,0,0|1,0,0]=3 435 B11R1.222 CC1=C(C=CC=C1)C(N)C#N Z4658101942 [1,1,0,0,0,0|1,0,0]=3 436 B11R1.222 CC1=C(C=CC=C1)C(O)CN Z336086534 [1,1,0,0,0,0|0,0,2]=4 437 B11R1.222 N#CC(N)C1=C(C=CC=C1)Br Z2526438961 [1,1,0,0,0,0|1,0,0]=3 438 B11R1.222 N#CC(N)C1=C(C=CC=C1)Cl Z993967186 [1,1,0,0,0,0|1,0,0]=3 439 B11R1.222 N#CC(N)C1=C(C=CC=C1)F Z1263602437 [1,1,0,0,0,0|1,0,0]=3 440 B11R1.222 NCC(O)C1=C(C=CC=C1)Cl Z1255523275 [1,1,0,0,0,0|0,0,2]=4 441 B13R1.5 CC(C#N)OC1=CC=C(C=C1)C=O Z54191100 [0,1,0,0,0,1|1,0,1]=4 442 B13R1.21 CC(C#N)C(=O)C1=CC=C(C=C1)Br Z385381428 [0,1,0,0,0,1|2,0,0]=4 443 B13R1.145 N#CC(=CC1=CC=C(C=C1)O)C#N Z44299998 [0,1,0,0,0,1|1,0,1]=4 444 B13R1.145 N#CC(CO)CC1=CC=C(C=C1)F Z851820868 [0,1,0,0,0,1|1,0,0]=3 445 B13R1.2679 CC(C#N)OC1=C(C=C(C=C1)Br)Cl Z18767855 [0,1,0,0,0,1|2,0,0]=4 446 B13R1.2679 CC1=CC(=C(C=C1)SC(C)C#N)C Z25047545 [0,1,0,0,0,1|2,0,0]=4 447 B13R1.2879 CC1=C(C=C(C=C1)SC(C)C#N)C Z24835666 [0,1,0,0,0,1|2,0,0]=4 448 B13R1.36 COC1=CC=C(C=C1)C(O)C(C)N Z1526453885 [0,2,0,0,0,0|0,0,2]=4 449 B13R1.39 CNC(CO)C1=CC=C(C=C1)OC Z734147394 [0,2,0,0,0,0|2,0,0]=4 450 B13R1.39 COC1=CC=C(C=C1)C(CN)OC Z4261448724 [0,2,0,0,0,0|0,0,2]=4 451 B13R1.187 CC(C)(C#N)C1=CC=C(C=C1)C=O Z1416184436 [0,2,0,0,0,0|1,0,1]=4 452 B13R1.187 COC1=CC=C(C=C1)C(C)(O)CN Z3244870706 [0,2,0,0,0,0|0,0,2]=4 453 B13R1.452 COC1=CC=C(C=C1)/C(=C/C#N)/Cl Z56969677 [0,2,0,0,0,0|1,0,1]=4 454 B13R1.452 COC1=CC=C(C=C1)/C(=N/C#N)/N Z56759641 [0,2,0,0,0,0|1,0,1]=4 455 B13R1.452 COC1=CC=C(C=C1)C(=O)CC#N Z55928932 [0,2,0,0,0,0|0,0,2]=4 456 B13R1.537 O=C(O)C1=CC=C(C=C1)C(O)CF Z3003535596 [0,2,0,0,0,0|1,0,1]=4 457 B13R1.272 CC(C)(C#N)C1=CC(=C(C=C1)Cl)Cl Z725146298 [0,2,0,0,0,0|2,0,0]=4 458 B13R1.272 CC1=C(C=CC(=C1)C(C)(C)C#N)Br Z1269192775 [0,2,0,0,0,0|2,0,0]=4 459 B13R1.4183 CC(C)(C#N)C1=C(C=C(C=C1)Cl)F Z1198304793 [0,2,0,0,0,0|2,0,0]=4 460 B13R1.1 CCOC(C#N)C1=CC=C(C=C1)C Z1270207120 [0,2,0,0,0,0|1,0,0]=3 461 B13R1.331 COC(CO)C1=CC(=C(C=C1)O)O Z1278927336 [0,2,0,0,0,0|1,0,1]=4 462 B13R1.706 CC(=O)C(C#N)C1=CC=C(C=C1)C Z1020843668 [0,2,0,0,0,0|1,0,1]=4 463 B13R1.706 CC(=O)C(C#N)C1=CC=C(C=C1)Cl Z56985774 [0,2,0,0,0,0|1,0,1]=4 464 B13R1.706 CC(=O)C(C#N)C1=CC=C(C=C1)F Z234485044 [0,2,0,0,0,0|1,0,1]=4 465 B13R1.706 CC(C)C(C#N)C1=CC=C(C=C1)Cl Z1198148456 [0,2,0,0,0,0|2,0,0]=4 466 B13R1.706 COC(C(=O)O)C1=CC=C(C=C1)O Z1262556696 [0,2,0,0,0,0|1,0,1]=4 467 B13R1.961 COC(C#N)C1=C(C=C(C=C1)Cl)Cl Z1270206886 [0,2,0,0,0,0|1,0,0]=3 468 B13R1.466 CNCC(O)C1=CC(=C(C=C1)O)C Z1262591397 [0,2,0,0,0,0|0,0,2]=4 469 B13R1.466 CNC[C@@H](O)C1=CC(=C(C=C1)O)O Z1198154207 [0,2,0,0,0,0|0,0,2]=4 470 B13R1.466 CNC[C@H](O)C1=CC(=C(C=C1)O)O Z1255449978 [0,2,0,0,0,0|0,0,2]=4 471 B13R1.49 COC1=C(C=CC(=C1)C(O)CN)O Z2574937385 [0,2,0,0,0,0|0,0,2]=4 472 B11R2.36 OC1=CC2=C(C=C1)CCN2 Z3241260546 [1,0,0,1,0,0|0,0,2]=4 473 B11R2.36 OC1=CC2=C(C=C1)CNC2 Z2489383861 [1,0,0,1,0,0|2,0,0]=4 474 B11R2.1 OC1COC2=C1C=CC=C2 Z1267884639 [1,0,0,1,0,0|1,0,1]=4 475 B11R2.1 O[C@@H]1CSC2=C1C=CC=C2 Z1438326029 [1,0,0,1,0,0|1,0,1]=4 476 B13R2.16 COC1=CC=C(C=C1)C2OC2C Z278165290 [0,1,0,1,0,0|1,0,1]=4 477 B13R2.16 COC1=CC=C(C=C1)[C@@H]2O[C@H]2C Z2527564242 [0,1,0,1,0,0|1,0,1]=4 478 B13R2.102 N#CC1(CC1)C2=CC=C(C=C2)Br Z361882986 [0,1,0,1,0,0|2,0,0]=4 479 B13R2.12 OC1=CC=C(C=C1)C2CCOC2 Z1486018525 [0,1,0,1,0,0|1,0,1]=4 480 B9R1.7 CC1=CC=C(S1)CC#N Z978942412 [1,0,0,0,1,0|2,0,0]=4 481 B9R1.7 N#CCC1=CC(=CS1)Br Z854082688 [1,0,0,0,1,0|2,0,0]=4 482 B9R1.7 N#CCC1=CC=C(S1)Br Z285575842 [1,0,0,0,1,0|2,0,0]=4 483 B9R1.7 N#CCC1=CC=C(S1)Cl Z228589634 [1,0,0,0,1,0|2,0,0]=4 484 B9R1.11 CC(C#N)C1=CC=CS1 Z803101384 [1,0,0,0,1,0|2,0,0]=4 485 B9R1.11 N#CC(N)C1=CC=CS1 Z2517097606 [1,0,0,0,1,0|2,0,0]=4 486 B9R1.11 N#CC(N)C1=CSC=C1 Z444311654 [1,0,0,0,1,0|2,0,0]=4 487 B11R1.40 C#CC(N)CC1=CC=CC=C1 Z4167757719 [1,0,0,0,0,1|2,0,0]=4 488 B11R1.40 CC(C#N)OC1=CC=CC=C1 Z54191740 [1,0,0,0,0,1|1,0,0]=3 489 B11R1.40 CC(C#N)SC1=CC=NC=C1 Z1373630647 [1,0,0,0,0,1|2,0,0]=4 490 B11R1.40 CCC(O)CC1=CC=CC=C1 Z513749284 [1,0,0,0,0,1|1,0,1]=4 491 B11R1.40 CC[C@@H](O)CC1=CC=CC=C1 Z1262397064 [1,0,0,0,0,1|1,0,1]=4 492 B11R1.40 CC[C@H](O)CC1=CC=CC=C1 Z1262397065 [1,0,0,0,0,1|1,0,1]=4 493 B11R1.40 CN(C#N)CC1=CC=CC=C1 Z1255506511 [1,0,0,0,0,1|2,0,0]=4 494 B11R1.40 NCC(O)CC1=CC=CC=C1 Z419084966 [1,0,0,0,0,1|0,0,2]=4