0 B10R1.15 C=C(CN)C1=CC=CC=C1 Z2065464323 [0,0,0,0,0,0|1,0,3]=4 1 B10R1.15 C=CC(O)C1=CC=CC=C1 Z1255438717 [0,0,0,0,0,0|1,0,1]=2 2 B10R1.15 CC(C#N)C1=CC=NC=C1 Z415654740 [0,0,0,0,0,0|2,0,0]=2 3 B10R1.15 CC(C=O)C1=CC=CC=C1 Z104495674 [0,0,0,0,0,0|2,0,1]=3 4 B10R1.15 CC(CBr)C1=CC=CC=C1 Z756118300 [0,0,0,0,0,0|2,0,1]=3 5 B10R1.15 CC(CN)C1=CC=NC=C1 Z415654978 [0,0,0,0,0,0|2,0,2]=4 6 B10R1.15 CCC(=O)C1=CC=CC=C1 Z104473068 [0,0,0,0,0,0|1,0,3]=4 7 B10R1.15 CCC(N)C1=CC=CC=C1 Z1262252904 [0,0,0,0,0,0|2,0,1]=3 8 B10R1.15 CCC(N)C1=CC=NC=C1 Z228583312 [0,0,0,0,0,0|3,0,1]=4 9 B10R1.15 CCC(O)C1=CC=CC=C1 Z335245178 [0,0,0,0,0,0|1,0,1]=2 10 B10R1.15 CCC(O)C1=CC=NC=C1 Z513749638 [0,0,0,0,0,0|2,0,1]=3 11 B10R1.15 CN(N=O)C1=CC=CC=C1 Z87001980 [0,0,0,0,0,0|4,0,0]=4 12 B10R1.15 CNC(=N)C1=CC=CC=C1 Z2096088186 [0,0,0,0,0,0|3,0,1]=4 13 B10R1.15 CNC(=O)C1=CC=CC=C1 Z32016410 [0,0,0,0,0,0|2,0,2]=4 14 B10R1.15 CNC(C)C1=CC=CC=C1 Z85917524 [0,0,0,0,0,0|3,0,0]=3 15 B10R1.15 CNC(C)C1=CN=CC=C1 Z451350188 [0,0,0,0,0,0|4,0,0]=4 16 B10R1.15 CNC(C)C1=NC=CC=C1 Z451350194 [0,0,0,0,0,0|4,0,0]=4 17 B10R1.15 COC(=O)C1=CC=CC=C1 Z19825577 [0,0,0,0,0,0|2,0,2]=4 18 B10R1.15 C[C@H](CN)C1=CC=CC=C1 Z1203578128 [0,0,0,0,0,0|1,0,2]=3 19 B10R1.15 N#CC(Br)C1=CC=CC=C1 Z1198157485 [0,0,0,0,0,0|1,0,0]=1 20 B10R1.15 N#CC(N)C1=CN=CC=C1 Z4339467200 [0,0,0,0,0,0|2,0,0]=2 21 B10R1.15 N/C(=N\O)/C1=CC=CC=C1 Z56827052 [0,0,0,0,0,0|3,0,1]=4 22 B10R1.15 NC(CO)C1=CC=CC=C1 Z381674942 [0,0,0,0,0,0|2,0,1]=3 23 B10R1.15 NC(CO)C1=CN=CC=C1 Z2350903961 [0,0,0,0,0,0|3,0,1]=4 24 B10R1.15 NCC(=O)C1=CC=CC=C1 Z600428568 [0,0,0,0,0,0|0,0,4]=4 25 B10R1.15 NCC(N)C1=CC=CC=C1 Z425861034 [0,0,0,0,0,0|1,0,2]=3 26 B10R1.15 NCC(O)C1=CC=CC=C1 Z104476088 [0,0,0,0,0,0|0,0,2]=2 27 B10R1.15 NCC(O)C1=CN=CC=C1 Z336086578 [0,0,0,0,0,0|1,0,2]=3 28 B10R1.15 NCC(O)C1=NC=CC=C1 Z802671456 [0,0,0,0,0,0|1,0,2]=3 29 B10R1.15 NNC(=O)C1=CC=CC=C1 Z56926669 [0,0,0,0,0,0|1,0,3]=4 30 B10R1.15 N[C@@H](CO)C1=CC=CC=C1 Z1201618614 [0,0,0,0,0,0|2,0,1]=3 31 B10R1.15 N[C@H](CO)C1=CC=CC=C1 Z1101444224 [0,0,0,0,0,0|2,0,1]=3 32 B10R1.15 O=C(CCl)C1=CC=CC=C1 Z57834468 [0,0,0,0,0,0|1,0,3]=4 33 B10R1.15 O=C(CO)C1=CC=CC=C1 Z906206792 [0,0,0,0,0,0|1,0,3]=4 34 B10R1.15 O=C(NO)C1=CC=CC=C1 Z56912029 [0,0,0,0,0,0|2,0,2]=4 35 B10R1.15 O=CC(=O)C1=CC=CC=C1 Z1954804411 [0,0,0,0,0,0|1,0,3]=4 36 B10R1.15 OCC(O)C1=CC=NC=C1 Z2736474279 [0,0,0,0,0,0|2,0,1]=3 37 B10R1.15 OCC(O)C1=NC=CC=C1 Z4985119178 [0,0,0,0,0,0|2,0,1]=3 38 B9R1.6 CC(=O)C1=CC=CC=C1 Z57127548 [1,0,0,0,0,0|0,0,3]=4 39 B9R1.6 CC(C)C1=NC=CC=C1 Z1198148831 [1,0,0,0,0,0|2,0,1]=4 40 B9R1.6 CC(N)C1=CC=CC=C1 Z57102377 [1,0,0,0,0,0|1,0,1]=3 41 B9R1.6 CC(N)C1=CN=CC=C1 Z85921957 [1,0,0,0,0,0|2,0,1]=4 42 B9R1.6 CC(N)C1=NC=CC=C1 Z56347059 [1,0,0,0,0,0|2,0,1]=4 43 B9R1.6 CC(O)C1=CC=CC=C1 Z104494956 [1,0,0,0,0,0|0,0,1]=2 44 B9R1.6 CC(O)C1=CC=NC=C1 Z335245082 [1,0,0,0,0,0|1,0,1]=3 45 B9R1.6 CC(O)C1=CN=CC=C1 Z335245084 [1,0,0,0,0,0|1,0,1]=3 46 B9R1.6 CC(O)C1=NC=CC=C1 Z335244914 [1,0,0,0,0,0|1,0,1]=3 47 B9R1.6 CC(O)C1=NC=CN=C1 Z513751834 [1,0,0,0,0,0|2,0,1]=4 48 B9R1.6 CN(N)C1=CC=CC=C1 Z57985384 [1,0,0,0,0,0|2,0,1]=4 49 B9R1.6 C[C@@H](N)C1=CC=CC=C1 Z1079183182 [1,0,0,0,0,0|1,0,1]=3 50 B9R1.6 C[C@@H](N)C1=CC=NC=C1 Z1197994836 [1,0,0,0,0,0|2,0,1]=4 51 B9R1.6 C[C@@H](O)C1=CC=CC=C1 Z360055166 [1,0,0,0,0,0|0,0,1]=2 52 B9R1.6 C[C@H](N)C1=CC=CC=C1 Z1079131570 [1,0,0,0,0,0|1,0,1]=3 53 B9R1.6 C[C@H](N)C1=CC=NC=C1 Z1492781304 [1,0,0,0,0,0|2,0,1]=4 54 B9R1.6 C[C@H](O)C1=CC=CC=C1 Z360055168 [1,0,0,0,0,0|0,0,1]=2 55 B9R1.6 N=C(N)C1=CC=CC=C1 Z166624376 [1,0,0,0,0,0|1,0,2]=4 56 B9R1.6 NC(=S)C1=CC=CC=C1 Z57070430 [1,0,0,0,0,0|0,1,2]=4 57 B9R1.6 O=C(O)C1=CC=CC=C1 Z57127480 [1,0,0,0,0,0|1,0,1]=3 58 B9R1.6 O=C(O)C1=CC=NC=C1 Z104473016 [1,0,0,0,0,0|2,0,1]=4 59 B9R1.6 O=C(O)C1=CN=CC=C1 Z56755709 [1,0,0,0,0,0|2,0,1]=4 60 B9R1.6 O=C(O)C1=NC=CC=C1 Z57968195 [1,0,0,0,0,0|2,0,1]=4 61 B9R1.6 O=[S-](=O)C1=CC=CC=C1 Z104501326 [1,0,0,0,0,0|2,0,1]=4 62 B9R1.6 OB(O)C1=CC=CC=C1 Z111782400 [1,0,0,0,0,0|2,0,0]=3 63 B9R1.6 OB(O)C1=CC=NC=C1 Z285038904 [1,0,0,0,0,0|3,0,0]=4 64 B9R1.6 OB(O)C1=CN=CC=C1 Z608482642 [1,0,0,0,0,0|3,0,0]=4 65 B9R1.8 CCCC1=CC=CC=C1 Z104479154 [1,0,0,0,0,0|1,0,1]=3 66 B9R1.8 CCCC1=NC=CC=C1 Z1255434741 [1,0,0,0,0,0|2,0,1]=4 67 B9R1.8 CCNC1=CC=CC=C1 Z104472482 [1,0,0,0,0,0|2,0,1]=4 68 B9R1.8 CNCC1=CC=NC=C1 Z57390007 [1,0,0,0,0,0|3,0,0]=4 69 B9R1.8 CNCC1=CN=CC=C1 Z56963341 [1,0,0,0,0,0|3,0,0]=4 70 B9R1.8 CSCC1=CN=CC=C1 Z599631354 [1,0,0,0,0,0|3,0,0]=4 71 B9R1.8 N#CCC1=CN=CC=C1 Z239871646 [1,0,0,0,0,0|1,0,0]=2 72 B9R1.8 N#CCC1=NC=CC=C1 Z104476888 [1,0,0,0,0,0|1,0,0]=2 73 B9R1.8 N#CCC1=NC=CN=C1 Z1098233793 [1,0,0,0,0,0|2,0,0]=3 74 B9R1.8 N#CCC1=NC=NC=C1 Z1098233919 [1,0,0,0,0,0|2,0,0]=3 75 B9R1.8 N#COC1=CC=CC=C1 Z1198165353 [1,0,0,0,0,0|1,0,0]=2 76 B9R1.8 NCCC1=CC=NC=C1 Z241056520 [1,0,0,0,0,0|1,0,2]=4 77 B9R1.8 NCCC1=CN=CC=C1 Z241056524 [1,0,0,0,0,0|1,0,2]=4 78 B9R1.8 NCCC1=NC=CC=C1 Z104478200 [1,0,0,0,0,0|1,0,2]=4 79 B9R1.8 NNCC1=CC=CC=C1 Z56969306 [1,0,0,0,0,0|1,0,1]=3 80 B9R1.8 NNCC1=CN=CC=C1 Z370706826 [1,0,0,0,0,0|2,0,1]=4 81 B9R1.8 NOCC1=CC=CC=C1 Z90668722 [1,0,0,0,0,0|1,0,1]=3 82 B9R1.8 O=CCC1=CC=CC=C1 Z104472146 [1,0,0,0,0,0|1,0,1]=3 83 B9R1.8 OCCC1=CC=CC=C1 Z104473586 [1,0,0,0,0,0|1,0,1]=3 84 B9R1.8 OCCC1=CN=CC=C1 Z992949518 [1,0,0,0,0,0|2,0,1]=4 85 B9R1.8 OCCC1=NC=CC=C1 Z104473592 [1,0,0,0,0,0|2,0,1]=4 86 B9R1.8 S=C=NC1=CC=CC=C1 Z56904678 [1,0,0,0,0,0|2,0,1]=4 87 B11R1.7 CC(C)(C#N)C1=CC=CC=C1 Z339435272 [0,1,0,0,0,0|1,0,0]=2 88 B11R1.7 CC(C)(C=O)C1=CC=CC=C1 Z1079442604 [0,1,0,0,0,0|2,0,1]=4 89 B11R1.7 CC(C)(CN)C1=CC=CC=C1 Z291234238 [0,1,0,0,0,0|1,0,2]=4 90 B11R1.7 CC(C)(CO)C1=CC=CC=C1 Z397587218 [0,1,0,0,0,0|2,0,1]=4 91 B11R1.7 CC(F)(C#N)C1=CC=CC=C1 Z1695669743 [0,1,0,0,0,0|1,0,0]=2 92 B11R1.7 CC(F)(CN)C1=CC=CC=C1 Z2768234774 [0,1,0,0,0,0|1,0,2]=4 93 B11R1.7 CC(N)(CO)C1=CC=CC=C1 Z734150992 [0,1,0,0,0,0|2,0,1]=4 94 B11R1.7 CC(O)(CN)C1=CC=CC=C1 Z979721628 [0,1,0,0,0,0|0,0,2]=3 95 B11R1.7 CCC(C)(N)C1=CC=CC=C1 Z449373366 [0,1,0,0,0,0|2,0,1]=4 96 B11R1.7 CCC(C)(O)C1=CC=CC=C1 Z449373348 [0,1,0,0,0,0|1,0,1]=3 97 B11R1.7 CNC(C)(C)C1=CC=CC=C1 Z991114970 [0,1,0,0,0,0|3,0,0]=4 98 B11R1.7 N#CC(F)(F)C1=CC=CC=C1 Z228584458 [0,1,0,0,0,0|1,0,0]=2 99 B11R1.7 NCC(F)(F)C1=CC=CC=C1 Z2168499583 [0,1,0,0,0,0|1,0,2]=4 100 B11R1.12 CCC(C=O)C1=CC=CC=C1 Z1079132778 [0,1,0,0,0,0|1,0,2]=4 101 B11R1.12 CCC(CN)C1=CC=CC=C1 Z85956799 [0,1,0,0,0,0|1,0,2]=4 102 B11R1.12 CCC(CO)C1=CC=CC=C1 Z397587442 [0,1,0,0,0,0|1,0,1]=3 103 B11R1.12 CCN(C#N)C1=CC=CC=C1 Z1374910132 [0,1,0,0,0,0|2,0,0]=3 104 B11R1.12 CNC(CO)C1=CC=CC=C1 Z734147276 [0,1,0,0,0,0|2,0,0]=3 105 B11R1.12 COC(CN)C1=CC=CC=C1 Z285139084 [0,1,0,0,0,0|0,0,2]=3 106 B11R1.12 N#CC(C=O)C1=CC=CC=C1 Z57912400 [0,1,0,0,0,0|0,0,1]=2 107 B11R1.12 NCC(CO)C1=CC=CC=C1 Z1198168251 [0,1,0,0,0,0|0,0,2]=3 108 B11R1.12 OCC(CO)C1=CC=CC=C1 Z1255395467 [0,1,0,0,0,0|1,0,1]=3 109 B11R1.16 C#CCC(O)C1=CC=CC=C1 Z932373338 [0,1,0,0,0,0|1,0,0]=2 110 B11R1.16 C#CCN(C)C1=CC=CC=C1 Z103708484 [0,1,0,0,0,0|3,0,0]=4 111 B11R1.16 CC(CC#N)C1=CC=CC=C1 Z1251357056 [0,1,0,0,0,0|1,0,0]=2 112 B11R1.16 CC(CC=O)C1=CC=CC=C1 Z57921394 [0,1,0,0,0,0|2,0,1]=4 113 B11R1.16 CC(N=C=S)C1=CC=CC=C1 Z57358351 [0,1,0,0,0,0|2,0,1]=4 114 B11R1.16 CCCC(O)C1=CC=CC=C1 Z335244704 [0,1,0,0,0,0|1,0,1]=3 115 B11R1.16 CNCC(C)C1=CC=CC=C1 Z57797325 [0,1,0,0,0,0|1,0,2]=4 116 B11R1.16 COCC(N)C1=CC=CC=C1 Z271013088 [0,1,0,0,0,0|2,0,1]=4 117 B11R1.16 CSCC(N)C1=CC=CC=C1 Z995116260 [0,1,0,0,0,0|2,0,1]=4 118 B11R1.16 N#C/C=C(\Cl)/C1=CC=CC=C1 Z56912627 [0,1,0,0,0,0|1,0,1]=3 119 B11R1.16 N#C/C=C(\N)/C1=CC=CC=C1 Z2259146567 [0,1,0,0,0,0|1,0,1]=3 120 B11R1.16 N#CCC(=O)C1=CC=CC=C1 Z56899088 [0,1,0,0,0,0|0,0,2]=3 121 B11R1.16 N#CCC(=O)C1=CN=CC=C1 Z381220942 [0,1,0,0,0,0|1,0,2]=4 122 B11R1.16 N#CCC(=O)C1=NC=CC=C1 Z1201623569 [0,1,0,0,0,0|1,0,2]=4 123 B11R1.16 N#CCC(N)C1=CC=CC=C1 Z1415893991 [0,1,0,0,0,0|1,0,0]=2 124 B11R1.16 N#CNC(=O)C1=CC=CC=C1 Z276572712 [0,1,0,0,0,0|0,0,2]=3 125 B11R1.16 N#CNC(=O)C1=CN=CC=C1 Z1216840326 [0,1,0,0,0,0|1,0,2]=4 126 B11R1.16 NC(CCO)C1=CC=CC=C1 Z382816560 [0,1,0,0,0,0|2,0,1]=4 127 B11R1.16 NCCC(O)C1=CC=CC=C1 Z1020673398 [0,1,0,0,0,0|0,0,2]=3 128 B11R1.16 O[C@@H](CCCl)C1=CC=CC=C1 Z1255427232 [0,1,0,0,0,0|1,0,1]=3 129 B11R1.16 O[C@H](CCCl)C1=CC=CC=C1 Z1255356297 [0,1,0,0,0,0|1,0,1]=3 130 B11R1.22 C#CC(=O)C1=CC=C(C=C1)Cl Z1266856320 [0,1,0,0,0,0|1,0,2]=4 131 B11R1.22 C#CC(N)C1=CC=C(C=C1)Br Z3378112680 [0,1,0,0,0,0|2,0,0]=3 132 B11R1.22 CC(C#N)C1=CC=C(C=C1)Br Z1269233209 [0,1,0,0,0,0|1,0,0]=2 133 B11R1.22 CC(C#N)C1=CC=C(C=C1)Cl Z1198147665 [0,1,0,0,0,0|1,0,0]=2 134 B11R1.22 CC(C=O)C1=CC=C(C=C1)Br Z1269114153 [0,1,0,0,0,0|2,0,1]=4 135 B11R1.22 CC(C=O)C1=CC=C(C=C1)Cl Z1198334992 [0,1,0,0,0,0|2,0,1]=4 136 B11R1.22 CC(C=O)C1=CC=C(C=C1)F Z1255400140 [0,1,0,0,0,0|2,0,1]=4 137 B11R1.22 CC(CN)C1=CC=C(C=C1)Br Z2906280360 [0,1,0,0,0,0|1,0,2]=4 138 B11R1.22 CC(CN)C1=CC=C(C=C1)F Z415654954 [0,1,0,0,0,0|1,0,2]=4 139 B11R1.22 CC(CO)C1=CC=C(C=C1)F Z1255440783 [0,1,0,0,0,0|2,0,1]=4 140 B11R1.22 CC1=CC=C(C=C1)C(C)C#N Z415654732 [0,1,0,0,0,0|1,0,0]=2 141 B11R1.22 CC1=CC=C(C=C1)C(C)C=O Z1198150045 [0,1,0,0,0,0|2,0,1]=4 142 B11R1.22 CC1=CC=C(C=C1)C(C)CN Z415654970 [0,1,0,0,0,0|1,0,2]=4 143 B11R1.22 CC1=CC=C(C=C1)C(N)CF Z2474474695 [0,1,0,0,0,0|2,0,1]=4 144 B11R1.22 CC1=CC=C(C=C1)C(N)CO Z5087131901 [0,1,0,0,0,0|2,0,1]=4 145 B11R1.22 CC1=CC=C(C=C1)C(O)CN Z336086536 [0,1,0,0,0,0|0,0,2]=3 146 B11R1.22 CC1=CC=C(C=C1)[C@@H](O)CN Z1895741843 [0,1,0,0,0,0|0,0,2]=3 147 B11R1.22 CCC(C)C1=CC=C(C=C1)O Z104484172 [0,1,0,0,0,0|2,0,1]=4 148 B11R1.22 CCC(N)C1=CC=C(C=C1)Br Z90662172 [0,1,0,0,0,0|2,0,1]=4 149 B11R1.22 CCC(N)C1=CC=C(C=C1)C Z90662186 [0,1,0,0,0,0|2,0,1]=4 150 B11R1.22 CCC(N)C1=CC=C(C=C1)Cl Z221421644 [0,1,0,0,0,0|2,0,1]=4 151 B11R1.22 CCC(O)C1=CC=C(C=C1)C Z228586316 [0,1,0,0,0,0|1,0,1]=3 152 B11R1.22 CCC(O)C1=CC=C(C=C1)Cl Z228586168 [0,1,0,0,0,0|1,0,1]=3 153 B11R1.22 CCC(O)C1=CC=C(C=C1)F Z228586174 [0,1,0,0,0,0|1,0,1]=3 154 B11R1.22 CCC(O)C1=CC=C(C=C1)O Z228586170 [0,1,0,0,0,0|1,0,1]=3 155 B11R1.22 CCC(O)C1=NC=C(C=C1)F Z1341678257 [0,1,0,0,0,0|2,0,1]=4 156 B11R1.22 CC[C@@H](N)C1=CC=C(C=C1)F Z1626921240 [0,1,0,0,0,0|2,0,1]=4 157 B11R1.22 CC[C@H](N)C1=CC=C(C=C1)F Z1625822291 [0,1,0,0,0,0|2,0,1]=4 158 B11R1.22 CNC(C)C1=CC=C(C=C1)C Z239628686 [0,1,0,0,0,0|3,0,0]=4 159 B11R1.22 CNC(C)C1=CC=C(C=C1)Cl Z159528172 [0,1,0,0,0,0|3,0,0]=4 160 B11R1.22 CNC(C)C1=CC=C(C=C1)F Z166605480 [0,1,0,0,0,0|3,0,0]=4 161 B11R1.22 CNC(C)C1=CC=C(C=C1)O Z316170374 [0,1,0,0,0,0|3,0,0]=4 162 B11R1.22 N#CC(N)C1=CC=C(C=C1)Cl Z1262246247 [0,1,0,0,0,0|1,0,0]=2 163 B11R1.22 N#CC(N)C1=CC=C(C=C1)F Z99599728 [0,1,0,0,0,0|1,0,0]=2 164 B11R1.22 NC(CF)C1=CC=C(C=C1)Cl Z1510155807 [0,1,0,0,0,0|2,0,1]=4 165 B11R1.22 NC(CO)C1=CC=C(C=C1)Br Z2188171600 [0,1,0,0,0,0|2,0,1]=4 166 B11R1.22 NC(CO)C1=CC=C(C=C1)F Z1268152327 [0,1,0,0,0,0|2,0,1]=4 167 B11R1.22 NCC(O)C1=CC=C(C=C1)Cl Z295878600 [0,1,0,0,0,0|0,0,2]=3 168 B11R1.23 C#CC(N)C1=CC(=CC=C1)Br Z4120296552 [0,1,0,0,0,0|2,0,0]=3 169 B11R1.23 CC(C#N)C1=CC(=CC=C1)F Z415654674 [0,1,0,0,0,0|1,0,0]=2 170 B11R1.23 CC(C=O)C1=CC(=CC=C1)Br Z1269224544 [0,1,0,0,0,0|2,0,1]=4 171 B11R1.23 CC(C=O)C1=CC(=CC=C1)Cl Z1222424632 [0,1,0,0,0,0|2,0,1]=4 172 B11R1.23 CC(C=O)C1=CC(=CC=C1)F Z1222424642 [0,1,0,0,0,0|2,0,1]=4 173 B11R1.23 CC(CN)C1=CC(=CC=C1)Br Z5094147873 [0,1,0,0,0,0|1,0,2]=4 174 B11R1.23 CC(CN)C1=CC(=CC=C1)F Z415654914 [0,1,0,0,0,0|1,0,2]=4 175 B11R1.23 CC(CO)C1=CC(=CC=C1)Br Z1269177166 [0,1,0,0,0,0|2,0,1]=4 176 B11R1.23 CC(CO)C1=CC(=CC=C1)Cl Z1222424631 [0,1,0,0,0,0|2,0,1]=4 177 B11R1.23 CC1=CC(=CC=C1)C(O)CN Z336086464 [0,1,0,0,0,0|0,0,2]=3 178 B11R1.23 CC1=CC=CC(=C1)C(C)C=O Z1222424653 [0,1,0,0,0,0|2,0,1]=4 179 B11R1.23 CCC(N)C1=CC(=CC=C1)Cl Z239627026 [0,1,0,0,0,0|2,0,1]=4 180 B11R1.23 CCC(N)C1=CC(=CC=C1)O Z4164634595 [0,1,0,0,0,0|2,0,1]=4 181 B11R1.23 CCC(O)C1=CC(=CC=C1)Br Z228586280 [0,1,0,0,0,0|1,0,1]=3 182 B11R1.23 CCC(O)C1=CC(=CC=C1)Cl Z335245132 [0,1,0,0,0,0|1,0,1]=3 183 B11R1.23 CCC(O)C1=CC(=CC=C1)N Z1262626036 [0,1,0,0,0,0|1,0,1]=3 184 B11R1.23 CNC(C)C1=CC(=CC=C1)Cl Z159528162 [0,1,0,0,0,0|3,0,0]=4 185 B11R1.23 CNC(C)C1=CC(=CC=C1)O Z1266854844 [0,1,0,0,0,0|3,0,0]=4 186 B11R1.23 COC(C)C1=CC(=CC=C1)N Z801781454 [0,1,0,0,0,0|3,0,0]=4 187 B11R1.23 CSC(C)C1=CC(=CC=C1)N Z801781922 [0,1,0,0,0,0|3,0,0]=4 188 B11R1.23 N#CC(N)C1=CC(=CC=C1)Cl Z398556966 [0,1,0,0,0,0|1,0,0]=2 189 B11R1.23 NC(CF)C1=CC(=CC=C1)Br Z3210128314 [0,1,0,0,0,0|2,0,1]=4 190 B11R1.23 NC(CF)C1=CC(=CC=C1)Cl Z3445798142 [0,1,0,0,0,0|2,0,1]=4 191 B11R1.23 NC(CF)C1=CC(=CC=C1)F Z3681214901 [0,1,0,0,0,0|2,0,1]=4 192 B11R1.23 NC(CO)C1=CC(=CC=C1)Br Z1438483917 [0,1,0,0,0,0|2,0,1]=4 193 B11R1.23 NC(CO)C1=CC(=CC=C1)Cl Z1695784092 [0,1,0,0,0,0|2,0,1]=4 194 B11R1.23 NC(CO)C1=CC(=CC=C1)F Z1268152384 [0,1,0,0,0,0|2,0,1]=4 195 B11R1.23 NC(CO)C1=CC(=CC=C1)I Z3605387233 [0,1,0,0,0,0|2,0,1]=4 196 B11R1.23 NC(CO)C1=CC(=CC=C1)O Z3247611804 [0,1,0,0,0,0|2,0,1]=4 197 B11R1.23 NC1=CC(=CC=C1)C(O)CO Z970072128 [0,1,0,0,0,0|1,0,1]=3 198 B11R1.23 NCC(O)C1=CC(=CC=C1)Cl Z330910384 [0,1,0,0,0,0|0,0,2]=3 199 B11R1.23 NCC(O)C1=CC(=CC=C1)O Z3041501762 [0,1,0,0,0,0|0,0,2]=3 200 B11R1.36 CC(=O)C(C)C1=CC=CC=C1 Z1255383314 [0,1,0,0,0,0|2,0,1]=4 201 B11R1.36 CC(=O)C(N)C1=CC=CC=C1 Z3234810419 [0,1,0,0,0,0|2,0,1]=4 202 B11R1.36 CC(C(=O)N)C1=CC=CC=C1 Z1255506457 [0,1,0,0,0,0|1,0,2]=4 203 B11R1.36 CC(C)C(O)C1=NC=CC=C1 Z513749462 [0,1,0,0,0,0|2,0,1]=4 204 B11R1.36 CC(N)C(C)C1=CC=CC=C1 Z1203578901 [0,1,0,0,0,0|1,0,2]=4 205 B11R1.36 CC(N)C(O)C1=CC=NC=C1 Z1263602353 [0,1,0,0,0,0|1,0,2]=4 206 B11R1.36 CC(O)C(N)C1=CC=CC=C1 Z2588063686 [0,1,0,0,0,0|2,0,1]=4 207 B11R1.36 NC(=O)C(Cl)C1=CC=CC=C1 Z57069256 [0,1,0,0,0,0|1,0,2]=4 208 B11R1.36 NC(=O)C(N)C1=CC=CC=C1 Z57204607 [0,1,0,0,0,0|1,0,2]=4 209 B11R1.36 NC(C(=O)O)C1=CC=CC=C1 Z147647142 [0,1,0,0,0,0|2,0,1]=4 210 B11R1.36 NC(C1=CC=CC=C1)C(F)F Z2211231766 [0,1,0,0,0,0|2,0,1]=4 211 B11R1.36 N[C@@H](C(=O)O)C1=CC=CC=C1 Z278101784 [0,1,0,0,0,0|2,0,1]=4 212 B11R1.36 N[C@H](C(=O)O)C1=CC=CC=C1 Z957336528 [0,1,0,0,0,0|2,0,1]=4 213 B11R1.36 O=C(O)C(Cl)C1=CC=CC=C1 Z104495824 [0,1,0,0,0,0|2,0,1]=4 214 B11R1.36 O=C(O)C(F)C1=CC=CC=C1 Z1203161992 [0,1,0,0,0,0|2,0,1]=4 215 B11R1.36 O=C(O)C(O)C1=CC=CC=C1 Z104473974 [0,1,0,0,0,0|1,0,1]=3 216 B11R1.36 O=C(O)C(S)C1=CC=CC=C1 Z808230894 [0,1,0,0,0,0|1,1,1]=4 217 B11R1.36 O=C(O)[C@@H](O)C1=CC=CC=C1 Z1201618616 [0,1,0,0,0,0|1,0,1]=3 218 B11R1.36 O=C(O)[C@H](O)C1=CC=CC=C1 Z1255390767 [0,1,0,0,0,0|1,0,1]=3 219 B11R1.36 O=C([O-])C(O)C1=NC=CC=C1 Z2357023524 [0,1,0,0,0,0|2,0,1]=4 220 B11R1.222 CC(C=O)C1=C(C=CC=C1)Br Z1269159201 [0,1,0,0,0,0|2,0,1]=4 221 B11R1.222 CC(C=O)C1=C(C=CC=C1)Cl Z1222424635 [0,1,0,0,0,0|2,0,1]=4 222 B11R1.222 CC(C=O)C1=C(C=CC=C1)F Z1222424647 [0,1,0,0,0,0|2,0,1]=4 223 B11R1.222 CC1=C(C=CC=C1)C(C)C#N Z415654748 [0,1,0,0,0,0|1,0,0]=2 224 B11R1.222 CC1=C(C=CC=C1)C(C)C=O Z1222424657 [0,1,0,0,0,0|2,0,1]=4 225 B11R1.222 CC1=C(C=CC=C1)C(N)C#N Z4658101942 [0,1,0,0,0,0|1,0,0]=2 226 B11R1.222 CC1=C(C=CC=C1)C(N)CF Z3092528504 [0,1,0,0,0,0|2,0,1]=4 227 B11R1.222 CC1=C(C=CC=C1)C(N)CO Z385458414 [0,1,0,0,0,0|2,0,1]=4 228 B11R1.222 CC1=C(C=CC=C1)C(O)CN Z336086534 [0,1,0,0,0,0|0,0,2]=3 229 B11R1.222 CCC(N)C1=C(C=CC=C1)Br Z851790482 [0,1,0,0,0,0|2,0,1]=4 230 B11R1.222 CCC(N)C1=C(C=CC=C1)O Z1266854970 [0,1,0,0,0,0|2,0,1]=4 231 B11R1.222 CNC(C)C1=C(C=CC=C1)Br Z1497158706 [0,1,0,0,0,0|3,0,0]=4 232 B11R1.222 CNC(C)C1=C(C=CC=C1)C Z159528196 [0,1,0,0,0,0|3,0,0]=4 233 B11R1.222 CNC(C)C1=C(C=CC=C1)Cl Z138106016 [0,1,0,0,0,0|3,0,0]=4 234 B11R1.222 CNC(C)C1=C(C=CC=C1)O Z316170358 [0,1,0,0,0,0|3,0,0]=4 235 B11R1.222 N#CC(N)C1=C(C=CC=C1)Br Z2526438961 [0,1,0,0,0,0|1,0,0]=2 236 B11R1.222 N#CC(N)C1=C(C=CC=C1)Cl Z993967186 [0,1,0,0,0,0|1,0,0]=2 237 B11R1.222 N#CC(N)C1=C(C=CC=C1)F Z1263602437 [0,1,0,0,0,0|1,0,0]=2 238 B11R1.222 NC(CF)C1=C(C=CC=C1)Br Z4444282330 [0,1,0,0,0,0|2,0,1]=4 239 B11R1.222 NC(CO)C1=C(C=CC=C1)F Z1268152413 [0,1,0,0,0,0|2,0,1]=4 240 B11R1.222 NC(CO)C1=C(C=CC=C1)I Z2941400807 [0,1,0,0,0,0|2,0,1]=4 241 B11R1.222 NCC(O)C1=C(C=CC=C1)Cl Z1255523275 [0,1,0,0,0,0|0,0,2]=3 242 B11R2.1 CC1CNC2=C1C=CC=C2 Z415739264 [0,0,0,1,0,0|1,0,2]=4 243 B11R2.1 CC1NCC2=C1C=CC=C2 Z1203731964 [0,0,0,1,0,0|3,0,0]=4 244 B11R2.1 NC1CCC2=C1C=CC=C2 Z168884748 [0,0,0,1,0,0|2,0,1]=4 245 B11R2.1 NC1CSC2=C1C=CC=C2 Z431544668 [0,0,0,1,0,0|2,0,1]=4 246 B11R2.1 N[C@@H]1CCC2=C1C=CC=C2 Z1741972748 [0,0,0,1,0,0|2,0,1]=4 247 B11R2.1 OB1OCC2=C1C=CC=C2 Z1255356609 [0,0,0,1,0,0|3,0,0]=4 248 B11R2.1 OC1COC2=C1C=CC=C2 Z1267884639 [0,0,0,1,0,0|1,0,1]=3 249 B11R2.1 ON1N=NC2=C1C=CC=C2 Z56900935 [0,0,0,1,0,0|2,0,1]=4 250 B11R2.1 O[C@@H]1CSC2=C1C=CC=C2 Z1438326029 [0,0,0,1,0,0|1,0,1]=3 251 B11R2.4 N[C@@H]1C[C@@H]1C2=CC=CC=C2 Z2309888982 [0,0,0,1,0,0|1,0,2]=4 252 B11R2.4 N[C@@H]1C[C@H]1C2=CC=CC=C2 Z2296167800 [0,0,0,1,0,0|1,0,2]=4 253 B11R2.4 N[C@H]1C[C@@H]1C2=CC=CC=C2 Z2517097696 [0,0,0,1,0,0|1,0,2]=4 254 B11R2.40 CC1(CO1)C2=CC=CC=C2 Z813010616 [0,0,0,1,0,0|2,0,1]=4 255 B11R2.40 NC1(CC1)C2=CC=CC=C2 Z1262398449 [0,0,0,1,0,0|2,0,1]=4 256 B11R2.239 C1=CC=C(C=C1)C2CCN2 Z359510120 [0,0,0,1,0,0|2,0,1]=4 257 B11R2.988 NCC1CC2=C1C=CC=C2 Z234895091 [0,0,0,1,0,0|1,0,2]=4 258 B9R1.11 CC(C#N)C1=CC=CS1 Z803101384 [0,0,0,0,1,0|2,0,0]=3 259 B9R1.11 CC(C#N)C1=NC=CS1 Z1255451210 [0,0,0,0,1,0|3,0,0]=4 260 B9R1.11 N#CC(N)C1=CC=CS1 Z2517097606 [0,0,0,0,1,0|2,0,0]=3 261 B9R1.11 N#CC(N)C1=CSC=C1 Z444311654 [0,0,0,0,1,0|2,0,0]=3 262 B9R1.11 NCC(O)C1=COC=C1 Z1198261509 [0,0,0,0,1,0|1,0,2]=4 263 B9R1.11 NCC(O)C1=CSC=C1 Z330910460 [0,0,0,0,1,0|1,0,2]=4 264 B11R1.40 C#CC(=O)CC1=CC=CC=C1 Z1266856334 [0,0,0,0,0,1|1,0,2]=4 265 B11R1.40 C#CC(N)CC1=CC=CC=C1 Z4167757719 [0,0,0,0,0,1|2,0,0]=3 266 B11R1.40 CC(C#N)OC1=CC=CC=C1 Z54191740 [0,0,0,0,0,1|1,0,0]=2 267 B11R1.40 CC(C#N)SC1=CC=NC=C1 Z1373630647 [0,0,0,0,0,1|2,0,0]=3 268 B11R1.40 CC(C=O)CC1=CC=CC=C1 Z1198150055 [0,0,0,0,0,1|2,0,1]=4 269 B11R1.40 CC(CC1=CC=CC=C1)NN Z3033545382 [0,0,0,0,0,1|2,0,1]=4 270 B11R1.40 CC(CN)NC1=CC=CC=C1 Z1198235985 [0,0,0,0,0,1|1,0,2]=4 271 B11R1.40 CC(CN)OC1=CC=CC=C1 Z1245635737 [0,0,0,0,0,1|1,0,2]=4 272 B11R1.40 CC(CN)SC1=CC=CC=C1 Z844632804 [0,0,0,0,0,1|1,0,2]=4 273 B11R1.40 CCC(N)CC1=CC=CC=C1 Z431980016 [0,0,0,0,0,1|2,0,1]=4 274 B11R1.40 CCC(O)CC1=CC=CC=C1 Z513749284 [0,0,0,0,0,1|1,0,1]=3 275 B11R1.40 CCC(O)CC1=CC=NC=C1 Z992409862 [0,0,0,0,0,1|2,0,1]=4 276 B11R1.40 CC[C@@H](O)CC1=CC=CC=C1 Z1262397064 [0,0,0,0,0,1|1,0,1]=3 277 B11R1.40 CC[C@H](O)CC1=CC=CC=C1 Z1262397065 [0,0,0,0,0,1|1,0,1]=3 278 B11R1.40 CN(C#N)CC1=CC=CC=C1 Z1255506511 [0,0,0,0,0,1|2,0,0]=3 279 B11R1.40 NC(CO)CC1=CC=CC=C1 Z234898263 [0,0,0,0,0,1|2,0,1]=4 280 B11R1.40 NCC(F)CC1=CC=CC=C1 Z2740416678 [0,0,0,0,0,1|1,0,2]=4 281 B11R1.40 NCC(N)CC1=CC=CC=C1 Z425861056 [0,0,0,0,0,1|1,0,2]=4 282 B11R1.40 NCC(O)CC1=CC=CC=C1 Z419084966 [0,0,0,0,0,1|0,0,2]=3 283 B11R1.40 N[C@@H](CO)CC1=CC=CC=C1 Z1157651018 [0,0,0,0,0,1|2,0,1]=4 284 B11R1.40 N[C@H](CO)CC1=CC=CC=C1 Z1741982891 [0,0,0,0,0,1|2,0,1]=4 285 B8R1.2 C=CC1=CC=CC=C1 Z104474664 [2,0,0,0,0,0|0,0,2]=4 286 B8R1.2 CCC1=CC=CC=C1 Z104473632 [2,0,0,0,0,0|0,0,1]=3 287 B8R1.2 CCC1=CC=NC=C1 Z1251171246 [2,0,0,0,0,0|1,0,1]=4 288 B8R1.2 CCC1=CN=CC=C1 Z104476778 [2,0,0,0,0,0|1,0,1]=4 289 B8R1.2 CCC1=NC=CC=C1 Z113558650 [2,0,0,0,0,0|1,0,1]=4 290 B8R1.2 CNC1=CC=CC=C1 Z104472478 [2,0,0,0,0,0|1,0,1]=4 291 B8R1.2 COC1=CC=CC=C1 Z53833865 [2,0,0,0,0,0|1,0,1]=4 292 B8R1.2 Cl[Se]C1=CC=CC=C1 Z1255485131 [2,0,0,0,0,0|2,0,0]=4 293 B8R1.2 N#CC1=CC=CC=C1 Z104473628 [2,0,0,0,0,0|0,0,0]=2 294 B8R1.2 N#CC1=CC=NC=C1 Z57899720 [2,0,0,0,0,0|1,0,0]=3 295 B8R1.2 N#CC1=CN=CC=C1 Z57899719 [2,0,0,0,0,0|1,0,0]=3 296 B8R1.2 N#CC1=CN=CN=C1 Z1201619938 [2,0,0,0,0,0|2,0,0]=4 297 B8R1.2 N#CC1=NC=CC=N1 Z441820390 [2,0,0,0,0,0|2,0,0]=4 298 B8R1.2 N#CC1=NC=CN=C1 Z448103898 [2,0,0,0,0,0|2,0,0]=4 299 B8R1.2 N#CC1=NC=NC=C1 Z1116387809 [2,0,0,0,0,0|2,0,0]=4 300 B8R1.2 N#CC1=NN=CC=C1 Z1198236174 [2,0,0,0,0,0|2,0,0]=4 301 B8R1.2 NCC1=CC=CC=C1 Z54748260 [2,0,0,0,0,0|0,0,1]=3 302 B8R1.2 NCC1=CC=NC=C1 Z104474354 [2,0,0,0,0,0|1,0,1]=4 303 B8R1.2 NCC1=CN=CC=C1 Z104474366 [2,0,0,0,0,0|1,0,1]=4 304 B8R1.2 NCC1=NC=CC=C1 Z104474352 [2,0,0,0,0,0|1,0,1]=4 305 B8R1.2 NNC1=CC=CC=C1 Z104472442 [2,0,0,0,0,0|1,0,1]=4 306 B8R1.2 OCC1=CC=CC=C1 Z104476418 [2,0,0,0,0,0|0,0,0]=2 307 B8R1.2 OCC1=CC=NC=C1 Z335244866 [2,0,0,0,0,0|1,0,0]=3 308 B8R1.2 OCC1=CN=CC=C1 Z104495622 [2,0,0,0,0,0|1,0,0]=3 309 B8R1.2 OCC1=NC=CC=C1 Z57921252 [2,0,0,0,0,0|1,0,0]=3 310 B10R1.13 CC(C)C1=CC=C(C=C1)Br Z732229746 [1,1,0,0,0,0|1,0,1]=4 311 B10R1.13 CC(C)C1=CC=C(C=C1)Cl Z1255372793 [1,1,0,0,0,0|1,0,1]=4 312 B10R1.13 CC(C)C1=CC=C(C=C1)N Z104476320 [1,1,0,0,0,0|1,0,1]=4 313 B10R1.13 CC(C)C1=CC=C(C=C1)O Z56347200 [1,1,0,0,0,0|1,0,1]=4 314 B10R1.13 CC(N)C1=CC=C(C=C1)Br Z56347162 [1,1,0,0,0,0|1,0,1]=4 315 B10R1.13 CC(N)C1=CC=C(C=C1)Cl Z56347112 [1,1,0,0,0,0|1,0,1]=4 316 B10R1.13 CC(N)C1=CC=C(C=C1)O Z1741968989 [1,1,0,0,0,0|1,0,1]=4 317 B10R1.13 CC(O)C1=CC=C(C=C1)Br Z335244904 [1,1,0,0,0,0|0,0,1]=3 318 B10R1.13 CC(O)C1=CC=C(C=C1)Cl Z104479788 [1,1,0,0,0,0|0,0,1]=3 319 B10R1.13 CC(O)C1=CC=C(C=C1)F Z56347219 [1,1,0,0,0,0|0,0,1]=3 320 B10R1.13 CC(O)C1=CC=C(C=C1)I Z228586282 [1,1,0,0,0,0|0,0,1]=3 321 B10R1.13 CC(O)C1=NC=C(C=C1)F Z1255406174 [1,1,0,0,0,0|1,0,1]=4 322 B10R1.13 CC1=CC=C(C=C1)B(O)O Z336079532 [1,1,0,0,0,0|2,0,0]=4 323 B10R1.13 CC1=CC=C(C=C1)C(=O)O Z57902424 [1,1,0,0,0,0|1,0,1]=4 324 B10R1.13 CC1=CC=C(C=C1)C(C)C Z104497772 [1,1,0,0,0,0|1,0,1]=4 325 B10R1.13 CC1=CC=C(C=C1)[C@@H](C)O Z1127664396 [1,1,0,0,0,0|0,0,1]=3 326 B10R1.13 CC1=CC=C(C=C1)[C@H](C)O Z1127664278 [1,1,0,0,0,0|0,0,1]=3 327 B10R1.13 C[C@@H](O)C1=CC=C(C=C1)Br Z850973968 [1,1,0,0,0,0|0,0,1]=3 328 B10R1.13 C[C@@H](O)C1=CC=C(C=C1)I Z360055808 [1,1,0,0,0,0|0,0,1]=3 329 B10R1.13 C[C@H](N)C1=CC=C(C=C1)Br Z1869802525 [1,1,0,0,0,0|1,0,1]=4 330 B10R1.13 C[C@H](N)C1=CC=C(C=C1)I Z1696091699 [1,1,0,0,0,0|1,0,1]=4 331 B10R1.13 C[C@H](N)C1=CC=C(C=C1)O Z3183546879 [1,1,0,0,0,0|1,0,1]=4 332 B10R1.13 C[C@H](O)C1=CC=C(C=C1)Br Z850973970 [1,1,0,0,0,0|0,0,1]=3 333 B10R1.13 C[C@H](O)C1=CC=C(C=C1)I Z360055806 [1,1,0,0,0,0|0,0,1]=3 334 B10R1.13 NC1=CC=C(C=C1)B(O)O Z1741970842 [1,1,0,0,0,0|2,0,0]=4 335 B10R1.13 NC1=CC=C(C=C1)C(=O)O Z57127446 [1,1,0,0,0,0|1,0,1]=4 336 B10R1.13 NC1=CC=C(C=C1)C(F)F Z2900188029 [1,1,0,0,0,0|2,0,0]=4 337 B10R1.13 O=C(O)C1=CC=C(C=C1)Br Z57127530 [1,1,0,0,0,0|1,0,1]=4 338 B10R1.13 O=C(O)C1=CC=C(C=C1)Cl Z104473324 [1,1,0,0,0,0|1,0,1]=4 339 B10R1.13 O=C(O)C1=CC=C(C=C1)F Z57367354 [1,1,0,0,0,0|1,0,1]=4 340 B10R1.13 O=C(O)C1=CC=C(C=C1)I Z57636572 [1,1,0,0,0,0|1,0,1]=4 341 B10R1.13 O=C(O)C1=CC=C(C=C1)O Z104498098 [1,1,0,0,0,0|1,0,1]=4 342 B10R1.13 O=C(O)C1=CC=C(C=C1)S Z223639246 [1,1,0,0,0,0|1,0,1]=4 343 B10R1.13 O=P(O)C1=CC=C(C=C1)Cl Z56798029 [1,1,0,0,0,0|2,0,0]=4 344 B10R1.13 OB(O)C1=CC=C(C=C1)Br Z1169350731 [1,1,0,0,0,0|2,0,0]=4 345 B10R1.13 OB(O)C1=CC=C(C=C1)Cl Z295122658 [1,1,0,0,0,0|2,0,0]=4 346 B10R1.13 OB(O)C1=CC=C(C=C1)F Z381540956 [1,1,0,0,0,0|2,0,0]=4 347 B10R1.13 OB(O)C1=CC=C(C=C1)O Z336080006 [1,1,0,0,0,0|2,0,0]=4 348 B10R1.28 CC(C)(Br)C1=CC=CC=C1 Z2520694454 [1,1,0,0,0,0|1,0,1]=4 349 B10R1.28 CC(C)(C)C1=CC=CC=C1 Z104478422 [1,1,0,0,0,0|1,0,1]=4 350 B10R1.28 CC(C)(N)C1=CC=CC=C1 Z336079658 [1,1,0,0,0,0|1,0,1]=4 351 B10R1.28 FC(F)(F)C1=CC=CC=C1 Z104473746 [1,1,0,0,0,0|2,0,0]=4 352 B10R1.61 CC(C)C1=C(C=CC=C1)Br Z1201618204 [1,1,0,0,0,0|1,0,1]=4 353 B10R1.61 CC(C)C1=C(C=CC=C1)N Z104475672 [1,1,0,0,0,0|1,0,1]=4 354 B10R1.61 CC(C)C1=C(C=CC=C1)O Z104485440 [1,1,0,0,0,0|1,0,1]=4 355 B10R1.61 CC(N)C1=C(C=CC=C1)F Z56347426 [1,1,0,0,0,0|1,0,1]=4 356 B10R1.61 CC(N)C1=C(C=CC=C1)O Z234895795 [1,1,0,0,0,0|1,0,1]=4 357 B10R1.61 CC(O)C1=C(C=CC=C1)Cl Z335244972 [1,1,0,0,0,0|0,0,1]=3 358 B10R1.61 CC(O)C1=C(C=CC=C1)N Z734526976 [1,1,0,0,0,0|0,0,1]=3 359 B10R1.61 CC1=C(C=CC=C1)B(O)O Z336079622 [1,1,0,0,0,0|2,0,0]=4 360 B10R1.61 CC1=C(C=CC=C1)C(=O)O Z104495626 [1,1,0,0,0,0|1,0,1]=4 361 B10R1.61 CC1=C(C=CC=C1)C(C)O Z335245068 [1,1,0,0,0,0|0,0,1]=3 362 B10R1.61 CC1=C(C=CC=C1)[C@@H](C)O Z360055768 [1,1,0,0,0,0|0,0,1]=3 363 B10R1.61 CC1=C(C=CC=N1)C(C)O Z1766930129 [1,1,0,0,0,0|1,0,1]=4 364 B10R1.61 C[C@@H](N)C1=C(C=CC=C1)Br Z1696289917 [1,1,0,0,0,0|1,0,1]=4 365 B10R1.61 C[C@@H](N)C1=C(C=CC=C1)Cl Z360055184 [1,1,0,0,0,0|1,0,1]=4 366 B10R1.61 C[C@@H](O)C1=C(C=CC=C1)Br Z1127664407 [1,1,0,0,0,0|0,0,1]=3 367 B10R1.61 C[C@@H](O)C1=C(C=CC=C1)Cl Z360055178 [1,1,0,0,0,0|0,0,1]=3 368 B10R1.61 C[C@H](N)C1=C(C=CC=C1)Br Z1696289881 [1,1,0,0,0,0|1,0,1]=4 369 B10R1.61 C[C@H](O)C1=C(C=CC=C1)Br Z1127664292 [1,1,0,0,0,0|0,0,1]=3 370 B10R1.61 C[C@H](O)C1=C(C=CC=C1)Cl Z360055172 [1,1,0,0,0,0|0,0,1]=3 371 B10R1.61 NC1=C(C=CC=C1)B(O)O Z1201620794 [1,1,0,0,0,0|2,0,0]=4 372 B10R1.61 O=C(O)C1=C(C=CC=C1)Br Z57825381 [1,1,0,0,0,0|1,0,1]=4 373 B10R1.61 O=C(O)C1=C(C=CC=C1)Cl Z57127537 [1,1,0,0,0,0|1,0,1]=4 374 B10R1.61 O=C(O)C1=C(C=CC=C1)F Z57914061 [1,1,0,0,0,0|1,0,1]=4 375 B10R1.61 O=C(O)C1=C(C=CC=C1)I Z57637028 [1,1,0,0,0,0|1,0,1]=4 376 B10R1.61 O=C(O)C1=C(C=CC=C1)O Z56757226 [1,1,0,0,0,0|1,0,1]=4 377 B10R1.61 O=C(O)C1=C(C=CC=C1)S Z104477754 [1,1,0,0,0,0|1,0,1]=4 378 B10R1.61 OB(O)C1=C(C=CC=C1)Br Z1269235915 [1,1,0,0,0,0|2,0,0]=4 379 B10R1.61 OB(O)C1=C(C=CC=C1)Cl Z381540900 [1,1,0,0,0,0|2,0,0]=4 380 B10R1.61 OB(O)C1=C(C=CC=C1)F Z381540942 [1,1,0,0,0,0|2,0,0]=4 381 B10R1.61 OB(O)C1=C(C=CC=C1)O Z1201620791 [1,1,0,0,0,0|2,0,0]=4 382 B10R1.113 CC(C)C1=CC(=CC=C1)O Z104492878 [1,1,0,0,0,0|1,0,1]=4 383 B10R1.113 CC(N)C1=CC(=CC=C1)Br Z239626864 [1,1,0,0,0,0|1,0,1]=4 384 B10R1.113 CC(N)C1=CC(=CC=C1)Cl Z56347061 [1,1,0,0,0,0|1,0,1]=4 385 B10R1.113 CC(N)C1=CC(=CC=C1)F Z56347483 [1,1,0,0,0,0|1,0,1]=4 386 B10R1.113 CC(N)C1=CC(=CC=C1)O Z426041632 [1,1,0,0,0,0|1,0,1]=4 387 B10R1.113 CC(O)C1=CC(=CC=C1)Cl Z335244960 [1,1,0,0,0,0|0,0,1]=3 388 B10R1.113 CC(O)C1=CC(=CC=C1)F Z335245218 [1,1,0,0,0,0|0,0,1]=3 389 B10R1.113 CC(O)C1=CC(=CC=C1)O Z335245176 [1,1,0,0,0,0|0,0,1]=3 390 B10R1.113 CC(O)C1=CC(=CN=C1)F Z823275188 [1,1,0,0,0,0|1,0,1]=4 391 B10R1.113 CC1=CC(=CC=C1)B(O)O Z336079540 [1,1,0,0,0,0|2,0,0]=4 392 B10R1.113 CC1=CC(=CC=C1)C(=O)O Z57913535 [1,1,0,0,0,0|1,0,1]=4 393 B10R1.113 CC1=CC=CC(=C1)C(C)N Z2284390656 [1,1,0,0,0,0|1,0,1]=4 394 B10R1.113 CC1=CC=CC(=C1)C(C)O Z445987122 [1,1,0,0,0,0|0,0,1]=3 395 B10R1.113 CC1=CC=CC(=C1)[C@@H](C)N Z1626921284 [1,1,0,0,0,0|1,0,1]=4 396 B10R1.113 CC1=CC=CC(=C1)[C@@H](C)O Z1127664487 [1,1,0,0,0,0|0,0,1]=3 397 B10R1.113 CC1=CC=CC(=C1)[C@H](C)N Z1626921239 [1,1,0,0,0,0|1,0,1]=4 398 B10R1.113 CC1=CC=CC(=C1)[C@H](C)O Z1127664373 [1,1,0,0,0,0|0,0,1]=3 399 B10R1.113 C[C@@H](O)C1=CC(=CC=C1)Br Z803153182 [1,1,0,0,0,0|0,0,1]=3 400 B10R1.113 C[C@@H](O)C1=CC(=CC=C1)Cl Z360055382 [1,1,0,0,0,0|0,0,1]=3 401 B10R1.113 C[C@@H](O)C1=CC(=CC=C1)O Z959151708 [1,1,0,0,0,0|0,0,1]=3 402 B10R1.113 C[C@H](O)C1=CC(=CC=C1)Br Z803153180 [1,1,0,0,0,0|0,0,1]=3 403 B10R1.113 C[C@H](O)C1=CC(=CC=C1)Cl Z360055386 [1,1,0,0,0,0|0,0,1]=3 404 B10R1.113 C[C@H](O)C1=CC(=CC=C1)O Z959151706 [1,1,0,0,0,0|0,0,1]=3 405 B10R1.113 NC1=CC(=CC=C1)B(O)O Z1201617111 [1,1,0,0,0,0|2,0,0]=4 406 B10R1.113 NC1=CC(=CC=C1)C(=O)O Z57127542 [1,1,0,0,0,0|1,0,1]=4 407 B10R1.113 NC1=CC(=CC=C1)C(F)F Z991556368 [1,1,0,0,0,0|2,0,0]=4 408 B10R1.113 O=C(O)C1=CC(=CC=C1)Br Z104475790 [1,1,0,0,0,0|1,0,1]=4 409 B10R1.113 O=C(O)C1=CC(=CC=C1)Cl Z104474062 [1,1,0,0,0,0|1,0,1]=4 410 B10R1.113 O=C(O)C1=CC(=CC=C1)F Z104477304 [1,1,0,0,0,0|1,0,1]=4 411 B10R1.113 O=C(O)C1=CC(=CC=C1)I Z56924537 [1,1,0,0,0,0|1,0,1]=4 412 B10R1.113 O=C(O)C1=CC(=CC=C1)O Z56919254 [1,1,0,0,0,0|1,0,1]=4 413 B10R1.113 O=C(O)C1=CC(=CC=C1)S Z1201630948 [1,1,0,0,0,0|1,0,1]=4 414 B10R1.113 OB(O)C1=CC(=CC=C1)Br Z1269164934 [1,1,0,0,0,0|2,0,0]=4 415 B10R1.113 OB(O)C1=CC(=CC=C1)Cl Z381540932 [1,1,0,0,0,0|2,0,0]=4 416 B10R1.113 OB(O)C1=CC(=CC=C1)F Z381540934 [1,1,0,0,0,0|2,0,0]=4 417 B10R1.113 OB(O)C1=CC(=CC=C1)O Z336080002 [1,1,0,0,0,0|2,0,0]=4 418 B10R1.1 CC1=CC=C(C=C1)CC#N Z285131444 [1,1,0,0,0,0|0,0,0]=2 419 B10R1.1 CC1=CC=C(C=C1)CC=O Z993017610 [1,1,0,0,0,0|1,0,1]=4 420 B10R1.1 CC1=CC=C(C=C1)CCN Z1268153218 [1,1,0,0,0,0|0,0,2]=4 421 B10R1.1 CC1=CC=C(C=C1)CCO Z397587076 [1,1,0,0,0,0|1,0,1]=4 422 B10R1.1 CC1=NN=C(C=C1)CC#N Z1098233917 [1,1,0,0,0,0|2,0,0]=4 423 B10R1.1 CCCC1=CC=C(C=C1)Br Z299596168 [1,1,0,0,0,0|1,0,1]=4 424 B10R1.1 CCCC1=CC=C(C=C1)N Z104492166 [1,1,0,0,0,0|1,0,1]=4 425 B10R1.1 CNCC1=CC=C(C=C1)Br Z56175269 [1,1,0,0,0,0|2,0,0]=4 426 B10R1.1 CNCC1=CC=C(C=C1)C Z56944115 [1,1,0,0,0,0|2,0,0]=4 427 B10R1.1 CNCC1=CC=C(C=C1)Cl Z56956070 [1,1,0,0,0,0|2,0,0]=4 428 B10R1.1 CNCC1=CC=C(C=C1)F Z56963340 [1,1,0,0,0,0|2,0,0]=4 429 B10R1.1 CNCC1=CC=C(C=C1)I Z4242747560 [1,1,0,0,0,0|2,0,0]=4 430 B10R1.1 COCC1=CC=C(C=C1)N Z240084568 [1,1,0,0,0,0|2,0,0]=4 431 B10R1.1 CSCC1=CC=C(C=C1)Br Z19854469 [1,1,0,0,0,0|2,0,0]=4 432 B10R1.1 CSCC1=CC=C(C=C1)N Z732207336 [1,1,0,0,0,0|2,0,0]=4 433 B10R1.1 N#CCC1=CC=C(C=C1)F Z89283961 [1,1,0,0,0,0|0,0,0]=2 434 B10R1.1 N#CCC1=CC=C(C=C1)N Z90122117 [1,1,0,0,0,0|0,0,0]=2 435 B10R1.1 N#CCC1=CC=C(C=C1)O Z90120144 [1,1,0,0,0,0|0,0,0]=2 436 B10R1.1 N#CCC1=NC=C(C=C1)F Z1098233918 [1,1,0,0,0,0|1,0,0]=3 437 B10R1.1 NC1=CC=C(C=C1)CCO Z276600190 [1,1,0,0,0,0|1,0,1]=4 438 B10R1.1 NCCC1=CC=C(C=C1)Br Z285143750 [1,1,0,0,0,0|0,0,2]=4 439 B10R1.1 NCCC1=CC=C(C=C1)Cl Z57051065 [1,1,0,0,0,0|0,0,2]=4 440 B10R1.1 NCCC1=CC=C(C=C1)F Z90122126 [1,1,0,0,0,0|0,0,2]=4 441 B10R1.1 NCCC1=CC=C(C=C1)I Z2515133713 [1,1,0,0,0,0|0,0,2]=4 442 B10R1.1 NCCC1=CC=C(C=C1)O Z744729058 [1,1,0,0,0,0|0,0,2]=4 443 B10R1.1 NOCC1=CC=C(C=C1)Cl Z1198164677 [1,1,0,0,0,0|1,0,1]=4 444 B10R1.1 O=CCC1=CC=C(C=C1)Br Z1079442512 [1,1,0,0,0,0|1,0,1]=4 445 B10R1.1 O=CCC1=CC=C(C=C1)Cl Z993017718 [1,1,0,0,0,0|1,0,1]=4 446 B10R1.1 O=CCC1=CC=C(C=C1)F Z993017752 [1,1,0,0,0,0|1,0,1]=4 447 B10R1.1 OCCC1=CC=C(C=C1)Br Z397587340 [1,1,0,0,0,0|1,0,1]=4 448 B10R1.1 OCCC1=CC=C(C=C1)F Z397587326 [1,1,0,0,0,0|1,0,1]=4 449 B10R1.1 OCCC1=CC=C(C=C1)O Z1250886919 [1,1,0,0,0,0|1,0,1]=4 450 B10R1.4 C=CCC1=C(C=CC=C1)O Z104493210 [1,1,0,0,0,0|1,0,1]=4 451 B10R1.4 CC1=C(C=CC=C1)CC#N Z57039593 [1,1,0,0,0,0|0,0,0]=2 452 B10R1.4 CC1=C(C=CC=C1)CC=O Z993017618 [1,1,0,0,0,0|1,0,1]=4 453 B10R1.4 CC1=C(C=CC=C1)CNN Z336481586 [1,1,0,0,0,0|1,0,1]=4 454 B10R1.4 CC1=C(C=CC=N1)CC#N Z1198263560 [1,1,0,0,0,0|1,0,0]=3 455 B10R1.4 CCCC1=C(C=CC=C1)Br Z1479686725 [1,1,0,0,0,0|1,0,1]=4 456 B10R1.4 CCCC1=C(C=CC=C1)I Z821158622 [1,1,0,0,0,0|1,0,1]=4 457 B10R1.4 CCCC1=C(C=CC=C1)N Z336087926 [1,1,0,0,0,0|1,0,1]=4 458 B10R1.4 CNCC1=C(C=CC=C1)C Z56948272 [1,1,0,0,0,0|2,0,0]=4 459 B10R1.4 CNCC1=C(C=CC=C1)Cl Z56955956 [1,1,0,0,0,0|2,0,0]=4 460 B10R1.4 CNCC1=C(C=CC=C1)F Z56953087 [1,1,0,0,0,0|2,0,0]=4 461 B10R1.4 CNCC1=C(C=CC=C1)N Z764242576 [1,1,0,0,0,0|2,0,0]=4 462 B10R1.4 CNCC1=C(C=CC=C1)O Z398513608 [1,1,0,0,0,0|2,0,0]=4 463 B10R1.4 COCC1=C(C=CC=C1)I Z821093342 [1,1,0,0,0,0|2,0,0]=4 464 B10R1.4 COCC1=C(C=CC=C1)O Z821093528 [1,1,0,0,0,0|2,0,0]=4 465 B10R1.4 CSCC1=C(C=CC=C1)N Z732207148 [1,1,0,0,0,0|2,0,0]=4 466 B10R1.4 N#CCC1=C(C=CC=C1)Cl Z56904744 [1,1,0,0,0,0|0,0,0]=2 467 B10R1.4 N#CCC1=C(C=CC=C1)F Z104477228 [1,1,0,0,0,0|0,0,0]=2 468 B10R1.4 N#CCC1=C(N=CC=C1)Cl Z1198263561 [1,1,0,0,0,0|1,0,0]=3 469 B10R1.4 N#CCC1=C(N=CC=N1)Cl Z1255498354 [1,1,0,0,0,0|2,0,0]=4 470 B10R1.4 N#CNC1=C(C=CC=C1)Cl Z991532350 [1,1,0,0,0,0|1,0,0]=3 471 B10R1.4 N#CSC1=C(C=CC=C1)F Z966424784 [1,1,0,0,0,0|1,0,0]=3 472 B10R1.4 NC1=C(C=CC=C1)CCO Z3417485770 [1,1,0,0,0,0|1,0,1]=4 473 B10R1.4 NCCC1=C(C=CC=C1)Br Z295382782 [1,1,0,0,0,0|0,0,2]=4 474 B10R1.4 NCCC1=C(C=CC=C1)Cl Z285143744 [1,1,0,0,0,0|0,0,2]=4 475 B10R1.4 NCCC1=C(C=CC=C1)F Z57051087 [1,1,0,0,0,0|0,0,2]=4 476 B10R1.4 NCCC1=C(C=CC=C1)O Z594038184 [1,1,0,0,0,0|0,0,2]=4 477 B10R1.4 O=CCC1=C(C=CC=C1)Br Z1183459130 [1,1,0,0,0,0|1,0,1]=4 478 B10R1.4 O=CCC1=C(C=CC=C1)F Z993017796 [1,1,0,0,0,0|1,0,1]=4 479 B10R1.4 OCCC1=C(C=CC=C1)Br Z1183459188 [1,1,0,0,0,0|1,0,1]=4 480 B10R1.4 OCCC1=C(C=CC=C1)F Z397587382 [1,1,0,0,0,0|1,0,1]=4 481 B10R1.10 CC1=CC(=CC=C1)CC#N Z285131450 [1,1,0,0,0,0|0,0,0]=2 482 B10R1.10 CC1=CC(=CC=C1)CCN Z241056516 [1,1,0,0,0,0|0,0,2]=4 483 B10R1.10 CCCC1=CC(=CC=C1)Br Z1541586975 [1,1,0,0,0,0|1,0,1]=4 484 B10R1.10 CNCC1=CC(=CC=C1)C Z102766992 [1,1,0,0,0,0|2,0,0]=4 485 B10R1.10 CNCC1=CC(=CC=C1)Cl Z56963343 [1,1,0,0,0,0|2,0,0]=4 486 B10R1.10 CNCC1=CC(=CC=C1)F Z56946085 [1,1,0,0,0,0|2,0,0]=4 487 B10R1.10 CNCC1=CC(=CC=C1)I Z3302798080 [1,1,0,0,0,0|2,0,0]=4 488 B10R1.10 CNCC1=CC(=CC=C1)O Z102766970 [1,1,0,0,0,0|2,0,0]=4 489 B10R1.10 COCC1=CC(=CC=C1)N Z285163816 [1,1,0,0,0,0|2,0,0]=4 490 B10R1.10 COCC1=CC(=CC=C1)O Z821093526 [1,1,0,0,0,0|2,0,0]=4 491 B10R1.10 CSCC1=CC(=CC=C1)Br Z17129082 [1,1,0,0,0,0|2,0,0]=4 492 B10R1.10 CSCC1=CC(=CC=C1)N Z732207152 [1,1,0,0,0,0|2,0,0]=4 493 B10R1.10 N#CCC1=CC(=NC=C1)N Z1198329815 [1,1,0,0,0,0|1,0,0]=3 494 B10R1.10 N#CCC1=CC=CC(=C1)Cl Z57039594 [1,1,0,0,0,0|0,0,0]=2 495 B10R1.10 N#CCC1=CC=CC(=C1)F Z104477994 [1,1,0,0,0,0|0,0,0]=2 496 B10R1.10 N#CCC1=CC=CC(=C1)N Z90120426 [1,1,0,0,0,0|0,0,0]=2 497 B10R1.10 N#CCC1=CC=CC(=C1)O Z1198161712 [1,1,0,0,0,0|0,0,0]=2 498 B10R1.10 N#CCC1=CC=CC(=N1)N Z1255362030 [1,1,0,0,0,0|1,0,0]=3 499 B10R1.10 N#CCC1=CC=NC(=N1)Cl Z1255506063 [1,1,0,0,0,0|2,0,0]=4 500 B10R1.10 N#CCC1=NC=CC(=N1)N Z1198306084 [1,1,0,0,0,0|2,0,0]=4 501 B10R1.10 N#CNC1=CC=CC(=C1)Cl Z991532332 [1,1,0,0,0,0|1,0,0]=3 502 B10R1.10 NC1=CC(=CC=C1)CCO Z1198160776 [1,1,0,0,0,0|1,0,1]=4 503 B10R1.10 NCCC1=CC(=CC=C1)Br Z285143760 [1,1,0,0,0,0|0,0,2]=4 504 B10R1.10 NCCC1=CC(=CC=C1)Cl Z57051063 [1,1,0,0,0,0|0,0,2]=4 505 B10R1.10 NCCC1=CC(=CC=C1)F Z96092963 [1,1,0,0,0,0|0,0,2]=4 506 B10R1.10 NCCC1=CC(=CC=C1)I Z4874662549 [1,1,0,0,0,0|0,0,2]=4 507 B10R1.10 NCCC1=CC(=CC=C1)O Z935140764 [1,1,0,0,0,0|0,0,2]=4 508 B10R1.10 NOCC1=CC(=CC=C1)Cl Z1198339567 [1,1,0,0,0,0|1,0,1]=4 509 B10R1.10 O=CCC1=CC=CC(=C1)Br Z1079442816 [1,1,0,0,0,0|1,0,1]=4 510 B10R1.10 O=CCC1=CC=CC(=C1)Cl Z993017836 [1,1,0,0,0,0|1,0,1]=4 511 B10R1.10 OCCC1=CC(=CC=C1)Cl Z992289382 [1,1,0,0,0,0|1,0,1]=4 512 B10R1.10 OCCC1=CC(=CC=C1)F Z397587224 [1,1,0,0,0,0|1,0,1]=4 513 B10R1.17 BrCCOC1=CC=CC=C1 Z56950513 [1,1,0,0,0,0|1,0,1]=4 514 B10R1.17 CCCCC1=CC=CC=C1 Z104492496 [1,1,0,0,0,0|1,0,1]=4 515 B10R1.17 CCNCC1=CC=CC=C1 Z57327176 [1,1,0,0,0,0|1,0,1]=4 516 B10R1.17 CNCCC1=CC=CC=C1 Z445226260 [1,1,0,0,0,0|0,0,2]=4 517 B10R1.17 COCCC1=CC=CC=C1 Z104494216 [1,1,0,0,0,0|1,0,1]=4 518 B10R1.17 N#CCCC1=CC=CC=C1 Z104507980 [1,1,0,0,0,0|0,0,0]=2 519 B10R1.17 N#CCNC1=CC=CC=C1 Z56347332 [1,1,0,0,0,0|0,0,0]=2 520 B10R1.17 N#CCNC1=NC=CC=C1 Z1203732480 [1,1,0,0,0,0|1,0,0]=3 521 B10R1.17 N#CCOC1=CC=CC=C1 Z53792061 [1,1,0,0,0,0|0,0,0]=2 522 B10R1.17 N#CCSC1=CC=CC=C1 Z19751391 [1,1,0,0,0,0|0,0,0]=2 523 B10R1.17 N#CCSC1=NC=CC=C1 Z54336898 [1,1,0,0,0,0|1,0,0]=3 524 B10R1.17 NCC#CC1=CC=CC=C1 Z227964210 [1,1,0,0,0,0|0,0,2]=4 525 B10R1.17 NCCCC1=CC=CC=C1 Z104478312 [1,1,0,0,0,0|0,0,2]=4 526 B10R1.17 NCCOC1=CC=CC=C1 Z355423232 [1,1,0,0,0,0|0,0,2]=4 527 B10R1.17 NCCSC1=CC=CC=C1 Z57970213 [1,1,0,0,0,0|0,0,2]=4 528 B10R1.17 NNCCC1=CC=CC=C1 Z927192062 [1,1,0,0,0,0|0,0,2]=4 529 B10R1.17 O=CC#CC1=CC=CC=C1 Z1255485337 [1,1,0,0,0,0|1,0,1]=4 530 B10R1.17 O=CCCC1=CC=CC=C1 Z87002472 [1,1,0,0,0,0|1,0,1]=4 531 B10R1.17 O=CCOC1=CC=CC=C1 Z854102570 [1,1,0,0,0,0|1,0,1]=4 532 B10R1.17 O=CNCC1=CC=CC=C1 Z1203730748 [1,1,0,0,0,0|1,0,1]=4 533 B10R1.17 OCCCC1=CC=CC=C1 Z104476660 [1,1,0,0,0,0|1,0,1]=4 534 B10R1.17 OCCOC1=CC=CC=C1 Z104473570 [1,1,0,0,0,0|1,0,1]=4 535 B10R1.17 OCCSC1=CC=CC=C1 Z149157348 [1,1,0,0,0,0|1,0,1]=4 536 B10R1.17 S=C=NCC1=CC=CC=C1 Z56869309 [1,1,0,0,0,0|1,0,1]=4 537 B10R1.18 CC(C)CC1=CC=CC=C1 Z104486386 [1,1,0,0,0,0|1,0,1]=4 538 B10R1.18 CC(O)CC1=CC=CC=C1 Z513749298 [1,1,0,0,0,0|1,0,1]=4 539 B10R1.18 N=C(N)CC1=CC=CC=C1 Z600428462 [1,1,0,0,0,0|0,0,2]=4 540 B10R1.18 NC(=O)CC1=CC=CC=C1 Z33546508 [1,1,0,0,0,0|0,0,2]=4 541 B10R1.18 NC(=S)CC1=CC=CC=C1 Z56928578 [1,1,0,0,0,0|0,0,2]=4 542 B10R1.18 O=S(O)CC1=CC=CC=C1 Z3211806022 [1,1,0,0,0,0|2,0,0]=4 543 B10R1.18 O=[N+]([O-])CC1=CC=CC=C1 Z995236210 [1,1,0,0,0,0|2,0,0]=4 544 B10R1.18 OB(O)CC1=CC=CC=C1 Z1147227831 [1,1,0,0,0,0|2,0,0]=4 545 B10R1.11 N#CCC(O)C1=CC=CO1 Z1255358418 [0,1,0,0,1,0|1,0,0]=3 546 B12R1.32 N#CCC(=O)NC1=CC=CC=C1 Z56813510 [0,1,0,0,0,1|0,0,2]=4 547 B12R1.34 C/C(=C(/N)\C1=CC=CC=C1)/C#N Z56759567 [0,1,0,0,0,1|1,0,1]=4 548 B12R1.34 C=C(C#N)C(O)C1=CC=CC=C1 Z320966940 [0,1,0,0,0,1|1,0,1]=4 549 B12R1.43 CC(N)C(O)CC1=CC=CC=C1 Z1483956878 [0,1,0,0,0,1|0,0,2]=4 550 B12R1.43 O=C(O)C(O)CC1=CC=CC=C1 Z788000648 [0,1,0,0,0,1|1,0,1]=4 551 B12R1.43 O=C(O)[C@@H](O)CC1=CC=CC=C1 Z1255386695 [0,1,0,0,0,1|1,0,1]=4 552 B12R1.43 O=C(O)[C@H](O)CC1=CC=CC=C1 Z1255364914 [0,1,0,0,0,1|1,0,1]=4 553 B12R1.49 CC(C#N)SC1=CC=C(C=C1)Br Z18744283 [0,1,0,0,0,1|1,0,0]=3 554 B12R1.49 CC(C#N)SC1=CC=C(C=C1)Cl Z19728690 [0,1,0,0,0,1|1,0,0]=3 555 B12R1.49 CC(C#N)SC1=CC=C(C=C1)F Z16034530 [0,1,0,0,0,1|1,0,0]=3 556 B12R1.49 CC1=CC=C(C=C1)CC(Br)C#N Z85923462 [0,1,0,0,0,1|1,0,0]=3 557 B12R1.49 CC1=CC=C(C=C1)SC(C)C#N Z45224430 [0,1,0,0,0,1|1,0,0]=3 558 B12R1.49 CC1=CN=C(C=C1)SC(C)C#N Z441333462 [0,1,0,0,0,1|2,0,0]=4 559 B12R1.49 CCC(O)CC1=CC=C(C=C1)C Z513751166 [0,1,0,0,0,1|1,0,1]=4 560 B12R1.49 NCC(O)CC1=CC=C(C=C1)Br Z4990293859 [0,1,0,0,0,1|0,0,2]=4 561 B12R1.50 C#CC(N)CC1=CC(=CC=C1)F Z3178895122 [0,1,0,0,0,1|2,0,0]=4 562 B12R1.50 CC(C#N)SC1=CC(=CC=C1)Br Z1020820534 [0,1,0,0,0,1|1,0,0]=3 563 B12R1.50 NCC(O)CC1=CC(=CC=C1)Br Z4981222469 [0,1,0,0,0,1|0,0,2]=4 564 B12R1.118 CCC(C#N)OC1=CC=CC=C1 Z851010186 [0,1,0,0,0,1|1,0,0]=3 565 B12R1.118 CCC(CO)NC1=CC=CC=C1 Z734137648 [0,1,0,0,0,1|1,0,1]=4 566 B12R1.118 COC(C=O)CC1=CC=CC=C1 Z1511872212 [0,1,0,0,0,1|1,0,1]=4 567 B12R1.118 COC(CO)CC1=CC=CC=C1 Z1896500221 [0,1,0,0,0,1|1,0,1]=4 568 B12R1.118 N#CC(=CC1=CC=CC=C1)C#N Z44299997 [0,1,0,0,0,1|1,0,1]=4 569 B12R1.118 N#CC(CO)CC1=CC=CC=C1 Z1098915220 [0,1,0,0,0,1|0,0,0]=2 570 B12R1.118 NCC(CO)CC1=CC=CC=C1 Z234896807 [0,1,0,0,0,1|0,0,2]=4 571 B12R1.118 OCC(CO)CC1=CC=CC=C1 Z1255372888 [0,1,0,0,0,1|1,0,1]=4 572 B12R1.194 CC(C)(C#N)CC1=CC=CC=C1 Z1259281880 [0,1,0,0,0,1|1,0,0]=3 573 B12R1.371 CC(C#N)SC1=C(C=CC=C1)Br Z166221246 [0,1,0,0,0,1|1,0,0]=3 574 B12R1.371 CC(C#N)SC1=C(C=CC=C1)Cl Z18459331 [0,1,0,0,0,1|1,0,0]=3 575 B12R1.371 CC(C#N)SC1=C(C=CC=C1)F Z18098320 [0,1,0,0,0,1|1,0,0]=3 576 B12R1.371 CC(C#N)SC1=C(C=CC=N1)F Z2275398009 [0,1,0,0,0,1|2,0,0]=4 577 B12R1.9 CC(C)(C#N)C1=CC=C(C=C1)Br Z415650942 [0,2,0,0,0,0|1,0,0]=3 578 B12R1.9 CC(O)(CN)C1=CC=C(C=C1)F Z1020684278 [0,2,0,0,0,0|0,0,2]=4 579 B12R1.9 CC(O)(CO)C1=CC=C(C=C1)Br Z1537124450 [0,2,0,0,0,0|1,0,1]=4 580 B12R1.9 CC1=CC=C(C=C1)C(C)(C)C#N Z725146308 [0,2,0,0,0,0|1,0,0]=3 581 B12R1.9 CCC(C)(O)C1=CC=C(C=C1)Cl Z449374102 [0,2,0,0,0,0|1,0,1]=4 582 B12R1.9 N#CC(F)(F)C1=CC=C(C=C1)Cl Z425338126 [0,2,0,0,0,0|1,0,0]=3 583 B12R1.10 CC(C)(C#N)C1=CC(=CC=C1)F Z725146244 [0,2,0,0,0,0|1,0,0]=3 584 B12R1.10 CC(C)(C#N)C1=CC(=CC=C1)N Z1251415409 [0,2,0,0,0,0|1,0,0]=3 585 B12R1.39 CC(O)(CCN)C1=CC=CC=C1 Z1182310345 [0,2,0,0,0,0|0,0,2]=4 586 B12R1.39 COCC(C)(O)C1=CC=CC=C1 Z992444182 [0,2,0,0,0,0|1,0,1]=4 587 B12R1.39 N#CCS(=O)(=O)C1=CC=CC=C1 Z104343452 [0,2,0,0,0,0|1,0,1]=4 588 B12R1.195 CC(C)(C#N)C1=C(C=CC=C1)Br Z1020847934 [0,2,0,0,0,0|1,0,0]=3 589 B12R1.195 CC(C)(C#N)C1=C(C=CC=C1)Cl Z858030358 [0,2,0,0,0,0|1,0,0]=3 590 B12R1.195 CC(C)(C#N)C1=C(C=CC=N1)Br Z2065832278 [0,2,0,0,0,0|2,0,0]=4 591 B12R1.195 CC(O)(CN)C1=C(C=CC=C1)Cl Z1020684190 [0,2,0,0,0,0|0,0,2]=4 592 B12R1.253 CC(N)C(C)(O)C1=CC=CC=C1 Z2466617796 [0,2,0,0,0,0|0,0,2]=4 593 B12R1.253 CC(O)(C(=N)N)C1=CC=CC=C1 Z1723549308 [0,2,0,0,0,0|0,0,2]=4 594 B12R1.253 CC(O)(C(=O)O)C1=CC=CC=C1 Z336127660 [0,2,0,0,0,0|1,0,1]=4 595 B12R1.253 C[C@@](O)(C(=O)O)C1=CC=CC=C1 Z1154245575 [0,2,0,0,0,0|1,0,1]=4 596 B12R1.253 C[C@](O)(C(=O)O)C1=CC=CC=C1 Z1119104455 [0,2,0,0,0,0|1,0,1]=4 597 B12R1.475 CC(CN)(CO)C1=CC=CC=C1 Z4522214749 [0,2,0,0,0,0|0,0,2]=4 598 B12R1.3 C#CCC(NC)C1=CC=CC=C1 Z1815149215 [0,2,0,0,0,0|2,0,0]=4 599 B12R1.3 CCOC(C#N)C1=CC=CC=C1 Z1270207114 [0,2,0,0,0,0|0,0,0]=2 600 B12R1.3 CNC(CCO)C1=CC=CC=C1 Z1198162180 [0,2,0,0,0,0|2,0,0]=4 601 B12R1.3 NCC(CCO)C1=CC=CC=C1 Z1198177199 [0,2,0,0,0,0|0,0,2]=4 602 B12R1.12 CC1=CC=C(C=C1)C(C#N)C=O Z1020843756 [0,2,0,0,0,0|0,0,1]=3 603 B12R1.12 CCC(C#N)C1=CC=C(C=C1)Cl Z1198339343 [0,2,0,0,0,0|1,0,0]=3 604 B12R1.12 CCN(C#N)C1=CC=C(C=C1)Cl Z1862008399 [0,2,0,0,0,0|2,0,0]=4 605 B12R1.12 CNC(CO)C1=CC=C(C=C1)Cl Z2235386839 [0,2,0,0,0,0|2,0,0]=4 606 B12R1.12 COC(C#N)C1=CC=C(C=C1)F Z1270207023 [0,2,0,0,0,0|0,0,0]=2 607 B12R1.12 COC(CN)C1=CC=C(C=C1)C Z4168346391 [0,2,0,0,0,0|0,0,2]=4 608 B12R1.12 COC(CN)C1=CC=C(C=C1)Cl Z838184210 [0,2,0,0,0,0|0,0,2]=4 609 B12R1.12 COC(CN)C1=CC=C(C=C1)F Z1278866649 [0,2,0,0,0,0|0,0,2]=4 610 B12R1.12 COC(CN)C1=CC=C(C=C1)O Z4639315632 [0,2,0,0,0,0|0,0,2]=4 611 B12R1.12 NCC(CO)C1=CC=C(C=C1)Cl Z2130644164 [0,2,0,0,0,0|0,0,2]=4 612 B12R1.12 NCC(CO)C1=CC=C(C=C1)F Z1269131038 [0,2,0,0,0,0|0,0,2]=4 613 B12R1.12 OCC(CO)C1=CC=C(C=C1)Cl Z1198166557 [0,2,0,0,0,0|1,0,1]=4 614 B12R1.12 OCC(CO)C1=CC=C(C=C1)O Z1513899322 [0,2,0,0,0,0|1,0,1]=4 615 B12R1.13 CNC(CO)C1=CC(=CC=C1)Br Z734147362 [0,2,0,0,0,0|2,0,0]=4 616 B12R1.13 CNC(CO)C1=CC(=CC=C1)F Z734147282 [0,2,0,0,0,0|2,0,0]=4 617 B12R1.13 COC(C#N)C1=CC(=CC=C1)Cl Z1262475067 [0,2,0,0,0,0|0,0,0]=2 618 B12R1.13 COC(CN)C1=CC(=CC=C1)Cl Z1270462953 [0,2,0,0,0,0|0,0,2]=4 619 B12R1.13 COC(CN)C1=CC(=CC=C1)F Z4182331225 [0,2,0,0,0,0|0,0,2]=4 620 B12R1.13 OCC(CO)C1=CC(=CC=C1)F Z1259339659 [0,2,0,0,0,0|1,0,1]=4 621 B12R1.243 CNC(CO)C1=C(C=CC=C1)C Z734147350 [0,2,0,0,0,0|2,0,0]=4 622 B12R1.243 COC(C#N)C1=C(C=CC=C1)Cl Z1270207050 [0,2,0,0,0,0|0,0,0]=2 623 B12R1.243 COC(CN)C1=C(C=CC=C1)C Z4198487631 [0,2,0,0,0,0|0,0,2]=4 624 B12R1.243 COC(CN)C1=C(C=CC=C1)Cl Z1431904016 [0,2,0,0,0,0|0,0,2]=4 625 B12R1.243 COC(CN)C1=C(C=CC=C1)F Z4199101031 [0,2,0,0,0,0|0,0,2]=4 626 B12R1.478 CC(=O)C(C#N)C1=CN=CC=C1 Z1410957851 [0,2,0,0,0,0|1,0,1]=4 627 B12R1.478 CC(C)C(C#N)C1=CC=CC=C1 Z1097112643 [0,2,0,0,0,0|1,0,0]=3 628 B12R1.478 CCC(C(=O)O)C1=CC=CC=C1 Z104479150 [0,2,0,0,0,0|1,0,1]=4 629 B12R1.478 CNC(C(=O)O)C1=CC=CC=C1 Z1259273212 [0,2,0,0,0,0|2,0,0]=4 630 B12R1.478 COC(C(=O)C)C1=CC=CC=C1 Z1513595127 [0,2,0,0,0,0|1,0,1]=4 631 B12R1.478 COC(C(=O)O)C1=CC=CC=C1 Z316258914 [0,2,0,0,0,0|1,0,1]=4 632 B12R1.478 CSC(C(=O)O)C1=CC=CC=C1 Z732206604 [0,2,0,0,0,0|2,0,0]=4 633 B12R1.478 NCC(C(=O)O)C1=CC=CC=C1 Z1913661007 [0,2,0,0,0,0|0,0,2]=4 634 B12R1.478 O=C(O)C(CO)C1=CC=CC=C1 Z1080722424 [0,2,0,0,0,0|1,0,1]=4 635 B12R1.478 O=C(O)[C@H](CO)C1=CC=CC=C1 Z1262510670 [0,2,0,0,0,0|1,0,1]=4 636 B12R1.16 CC1=CC=C(C=C1)C(=O)CC#N Z317042080 [0,2,0,0,0,0|0,0,2]=4 637 B12R1.16 CN(CC#N)C1=CC=C(C=C1)F Z645126996 [0,2,0,0,0,0|2,0,0]=4 638 B12R1.16 CNCC(O)C1=CC=C(C=C1)F Z1263820285 [0,2,0,0,0,0|0,0,2]=4 639 B12R1.16 N#C/C=C(\Cl)/C1=CC=C(C=C1)F Z56943822 [0,2,0,0,0,0|1,0,1]=4 640 B12R1.16 N#CCC(=O)C1=CC=C(C=C1)Br Z317042050 [0,2,0,0,0,0|0,0,2]=4 641 B12R1.16 N#CCC(=O)C1=CC=C(C=C1)Cl Z56963409 [0,2,0,0,0,0|0,0,2]=4 642 B12R1.16 N#CCC(=O)C1=CC=C(C=C1)F Z104520972 [0,2,0,0,0,0|0,0,2]=4 643 B12R1.17 CC1=CC(=CC=C1)C(=O)CC#N Z56963414 [0,2,0,0,0,0|0,0,2]=4 644 B12R1.17 CNC[C@H](O)C1=CC(=CC=C1)O Z1198723489 [0,2,0,0,0,0|0,0,2]=4 645 B12R1.17 COCC(O)C1=CC(=CC=C1)N Z970071366 [0,2,0,0,0,0|1,0,1]=4 646 B12R1.17 N#CCC(=O)C1=CC=CC(=C1)Br Z317042126 [0,2,0,0,0,0|0,0,2]=4 647 B12R1.17 N#CCC(=O)C1=CC=CC(=C1)Cl Z199507038 [0,2,0,0,0,0|0,0,2]=4 648 B12R1.17 N#CCC(=O)C1=CC=CC(=C1)F Z317042100 [0,2,0,0,0,0|0,0,2]=4 649 B12R1.17 N#CCC(O)C1=CC(=CC=C1)Cl Z1255429594 [0,2,0,0,0,0|0,0,0]=2 650 B12R1.30 CCCCC(O)C1=CC=CC=C1 Z445987132 [0,2,0,0,0,0|1,0,1]=4 651 B12R1.30 CCCC[C@@H](O)C1=CC=CC=C1 Z1127664488 [0,2,0,0,0,0|1,0,1]=4 652 B12R1.30 CCCC[C@H](O)C1=CC=CC=C1 Z1127664374 [0,2,0,0,0,0|1,0,1]=4 653 B12R1.30 COCCC(O)C1=CC=CC=C1 Z818738046 [0,2,0,0,0,0|1,0,1]=4 654 B12R1.30 N#CCCC(=O)C1=CC=CC=C1 Z168884010 [0,2,0,0,0,0|0,0,2]=4 655 B12R1.30 N#CCCC(N)C1=CC=CC=C1 Z1492796961 [0,2,0,0,0,0|1,0,0]=3 656 B12R1.107 CC(N)CC(O)C1=CC=CC=C1 Z1262623600 [0,2,0,0,0,0|0,0,2]=4 657 B12R1.107 O=C(O)CC(O)C1=CC=CC=C1 Z982132010 [0,2,0,0,0,0|1,0,1]=4 658 B12R1.308 CC1=C(C=CC=C1)C(=O)CC#N Z56963413 [0,2,0,0,0,0|0,0,2]=4 659 B12R1.308 CCCC(O)C1=C(C=CC=C1)Cl Z733415366 [0,2,0,0,0,0|1,0,1]=4 660 B12R1.308 N#CCC(=O)C1=C(C=CC=C1)F Z94602261 [0,2,0,0,0,0|0,0,2]=4 661 B12R1.5 CCC(O)C1=CC=C(C=C1)OC Z228586320 [0,2,0,0,0,0|1,0,1]=4 662 B12R1.20 CC(C)C(O)C1=CC=C(C=C1)Cl Z513748660 [0,2,0,0,0,0|1,0,1]=4 663 B12R1.20 CC(N)C(O)C1=CC=C(C=C1)Br Z336086694 [0,2,0,0,0,0|0,0,2]=4 664 B12R1.20 CC(N)C(O)C1=CC=C(C=C1)F Z336086696 [0,2,0,0,0,0|0,0,2]=4 665 B12R1.20 O=C(O)C(O)C1=CC=C(C=C1)Br Z788000726 [0,2,0,0,0,0|1,0,1]=4 666 B12R1.367 CCC(O)C1=CC(=C(C=C1)Cl)Cl Z235447502 [0,2,0,0,0,0|1,0,1]=4 667 B12R1.367 CC[C@@H](O)C1=CC(=C(C=C1)Cl)Cl Z1483951050 [0,2,0,0,0,0|1,0,1]=4 668 B12R1.367 CC[C@H](O)C1=CC(=C(C=C1)C)F Z1255444475 [0,2,0,0,0,0|1,0,1]=4 669 B12R1.367 N#CC(N)C1=CC(=C(C=C1)Cl)Cl Z1263529620 [0,2,0,0,0,0|1,0,0]=3 670 B12R1.367 N#CC(N)C1=CC(=C(C=C1)F)F Z2489380841 [0,2,0,0,0,0|1,0,0]=3 671 B12R1.367 NCC(O)C1=CC(=C(C=C1)F)F Z330910382 [0,2,0,0,0,0|0,0,2]=4 672 B12R1.367 OCC(O)C1=CC(=C(C=C1)Cl)F Z1537124099 [0,2,0,0,0,0|1,0,1]=4 673 B12R1.1703 C#CC(N)C1=C(C=C(C=C1)Cl)F Z2065464339 [0,2,0,0,0,0|2,0,0]=4 674 B12R1.1703 CCC(O)C1=C(C=C(C=C1)Cl)F Z1082848670 [0,2,0,0,0,0|1,0,1]=4 675 B12R1.1703 CCC(O)C1=C(C=C(C=C1)F)F Z756131106 [0,2,0,0,0,0|1,0,1]=4 676 B12R1.1703 N#CC(N)C1=C(C=C(C=C1)Cl)Cl Z247612606 [0,2,0,0,0,0|1,0,0]=3 677 B12R1.1703 NCC(O)C1=C(C=C(C=C1)Cl)Cl Z336086576 [0,2,0,0,0,0|0,0,2]=4 678 B12R1.1703 NCC(O)C1=C(C=C(C=C1)F)F Z330910386 [0,2,0,0,0,0|0,0,2]=4 679 B12R1.24 CC(C#N)N1C=CC=C(C1=O)N Z955150276 [0,2,0,0,0,0|2,0,0]=4 680 B12R1.24 CCC(O)C1=C(C(=CC=C1)Cl)F Z1245781804 [0,2,0,0,0,0|1,0,1]=4 681 B12R1.24 N#CC(N)C1=C(C(=CC=C1)Cl)Cl Z295458276 [0,2,0,0,0,0|1,0,0]=3 682 B12R1.24 OCC(O)C1=C(C(=CC=C1)Cl)Cl Z1537123320 [0,2,0,0,0,0|1,0,1]=4 683 B12R1.225 CC(=O)C(O)C1=CC(=CC=C1)Cl Z1255467340 [0,2,0,0,0,0|1,0,1]=4 684 B12R1.225 CC(N)C(O)C1=CC(=CC=C1)F Z1695740794 [0,2,0,0,0,0|0,0,2]=4 685 B12R1.225 CC1=CC(=CC=C1)C(O)C(=O)O Z788000614 [0,2,0,0,0,0|1,0,1]=4 686 B12R1.225 C[C@H](N)[C@H](O)C1=CC(=CC=C1)O Z2050038784 [0,2,0,0,0,0|0,0,2]=4 687 B12R1.225 NC1=CC(=CC=C1)C(O)C(=O)O Z1262512603 [0,2,0,0,0,0|1,0,1]=4 688 B12R1.225 O=C(O)C(O)C1=CC(=CC=C1)Br Z788000730 [0,2,0,0,0,0|1,0,1]=4 689 B12R1.225 O=C(O)C(O)C1=CC(=CC=C1)Cl Z788000712 [0,2,0,0,0,0|1,0,1]=4 690 B12R1.225 O=C(O)C(O)C1=CC(=CC=C1)F Z788000610 [0,2,0,0,0,0|1,0,1]=4 691 B12R1.225 O=C(O)C(O)C1=CC(=CC=C1)I Z1269151011 [0,2,0,0,0,0|1,0,1]=4 692 B12R1.358 CC1=CC(=CC(=C1)C(O)CN)C Z838973992 [0,2,0,0,0,0|0,0,2]=4 693 B12R1.358 N#CC(N)C1=CC(=CC(=C1)Cl)Cl Z1262398370 [0,2,0,0,0,0|1,0,0]=3 694 B12R1.358 NCC(O)C1=CC(=CC(=C1)Cl)Cl Z452431482 [0,2,0,0,0,0|0,0,2]=4 695 B12R1.358 NCC(O)C1=CC(=CC(=C1)F)Cl Z1918018376 [0,2,0,0,0,0|0,0,2]=4 696 B12R1.358 NCC(O)C1=CC(=CC(=C1)F)F Z6095531368 [0,2,0,0,0,0|0,0,2]=4 697 B12R1.435 CCC(O)C1=CC(=CC=C1)OC Z513748112 [0,2,0,0,0,0|1,0,1]=4 698 B12R1.435 COC1=CC(=CC=C1)C(C)C#N Z415654698 [0,2,0,0,0,0|1,0,0]=3 699 B12R1.435 COC1=CC(=CC=C1)C(O)CO Z1416170023 [0,2,0,0,0,0|1,0,1]=4 700 B12R1.435 CSC1=CC(=CC=C1)N(C)C#N Z1198232850 [0,2,0,0,0,0|2,0,0]=4 701 B12R1.435 N#CC1=CC=CC(=C1)[C@@H](O)CN Z2238129707 [0,2,0,0,0,0|0,0,2]=4 702 B12R1.124 CC(N)C(O)C1=C(C=CC=C1)F Z1272096622 [0,2,0,0,0,0|0,0,2]=4 703 B12R1.124 O=C(O)C(O)C1=C(C=CC=C1)Br Z788000812 [0,2,0,0,0,0|1,0,1]=4 704 B12R1.124 O=C(O)C(O)C1=C(C=CC=C1)I Z1269111466 [0,2,0,0,0,0|1,0,1]=4 705 B12R1.124 O=C(O)[C@H](O)C1=C(C=CC=C1)Cl Z1255488133 [0,2,0,0,0,0|1,0,1]=4 706 B12R1.564 CC(C)(N)C(O)C1=CC=CC=C1 Z1198157843 [0,2,0,0,0,0|0,0,2]=4 707 B12R1.564 OC(C1=CC=CC=C1)C(Cl)(Cl)Cl Z838925896 [0,2,0,0,0,0|1,0,1]=4 708 B12R1.564 O[C@@H](C1=CC=CC=C1)C(F)(F)F Z1198169138 [0,2,0,0,0,0|1,0,1]=4 709 B12R1.564 O[C@H](C1=CC=CC=C1)C(F)(F)F Z1255399129 [0,2,0,0,0,0|1,0,1]=4 710 B12R1.77 COC1=C(C=CC=C1)C(N)C#N Z1263602439 [0,2,0,0,0,0|1,0,0]=3 711 B12R1.77 COC1=C(C=CC=C1)C(O)CN Z336086524 [0,2,0,0,0,0|0,0,2]=4 712 B12R1.3441 CC(C#N)C1=C(C=CC=C1F)F Z1198304751 [0,2,0,0,0,0|1,0,0]=3 713 B12R1.3441 CCC(O)C1=C(C=CC=C1Cl)Cl Z1171205770 [0,2,0,0,0,0|1,0,1]=4 714 B12R1.3441 CCC(O)C1=C(C=CC=C1F)Cl Z1171207090 [0,2,0,0,0,0|1,0,1]=4 715 B12R1.3441 N#CC(N)C1=C(C=CC=C1Cl)Cl Z752371296 [0,2,0,0,0,0|1,0,0]=3 716 B12R1.3441 N#CC(N)C1=C(C=CC=C1F)Cl Z1262254392 [0,2,0,0,0,0|1,0,0]=3 717 B12R1.3441 NCC(O)C1=C(C=CC=C1F)Cl Z1695797774 [0,2,0,0,0,0|0,0,2]=4 718 B12R1.3441 NCC(O)C1=C(C=CC=C1F)F Z1255524191 [0,2,0,0,0,0|0,0,2]=4 719 B10R2.6 C1=CC(=CC=N1)C2CO2 Z1187818726 [1,0,0,1,0,0|1,0,1]=4 720 B10R2.6 C1=CC(=CN=C1)C2CO2 Z1187818722 [1,0,0,1,0,0|1,0,1]=4 721 B10R2.6 C1=CC=C(C=C1)C2CO2 Z104486008 [1,0,0,1,0,0|0,0,1]=3 722 B10R2.6 C1=CC=C(C=C1)[C@@H]2CO2 Z1255356265 [1,0,0,1,0,0|0,0,1]=3 723 B10R2.6 C1=CC=C(C=C1)[C@H]2CO2 Z1255390768 [1,0,0,1,0,0|0,0,1]=3 724 B10R2.6 C1=CN=C(C=C1)C2CO2 Z1187818707 [1,0,0,1,0,0|1,0,1]=4 725 B10R2.320 NC1CC2=C1C=CC=C2 Z1918018858 [1,0,0,1,0,0|1,0,1]=4 726 B10R2.7 C1=CC2=C(C=C1)CC=C2 Z104476162 [1,0,0,1,0,0|1,0,1]=4 727 B10R2.7 C1=CC2=C(C=C1)CNC2 Z1263820391 [1,0,0,1,0,0|2,0,0]=4 728 B10R2.7 C1=CC2=C(C=C1)COC2 Z839134770 [1,0,0,1,0,0|2,0,0]=4 729 B10R2.7 C1=CC2=C(C=C1)NCC2 Z104475582 [1,0,0,1,0,0|0,0,2]=4 730 B10R2.7 C1=CC2=C(C=C1)OCC2 Z104505448 [1,0,0,1,0,0|1,0,1]=4 731 B12R2.18 CC1C2=C(C=CC=C2)CC1O Z1349231024 [0,0,0,1,0,1|1,0,1]=4 732 B12R2.18 N[C@@H]1C2=C(C=CC=C2)C[C@@H]1O Z784894996 [0,0,0,1,0,1|0,0,2]=4 733 B12R2.18 N[C@H]1C2=C(C=CC=C2)C[C@@H]1O Z4663003875 [0,0,0,1,0,1|0,0,2]=4 734 B12R2.18 N[C@H]1C2=C(C=CC=C2)C[C@H]1O Z803127638 [0,0,0,1,0,1|0,0,2]=4 735 B12R2.24 OC1CCC2=C(C1)C=CC=C2 Z445987178 [0,0,0,1,0,1|1,0,1]=4 736 B12R2.24 OC1CNC2=C(C1)C=CC=C2 Z1198341064 [0,0,0,1,0,1|0,0,2]=4 737 B12R2.27 N#C[C@@H]1C[C@H]1C2=CC=CC=C2 Z1198147613 [0,0,0,1,0,1|1,0,0]=3 738 B12R2.27 OCC1OC1C2=CC=CC=C2 Z1509054538 [0,0,0,1,0,1|1,0,1]=4 739 B12R2.32 ClCC1CC2=C(O1)C=CC=C2 Z397587656 [0,0,0,1,0,1|1,0,1]=4 740 B12R2.32 N#CC1=CC2=C(N1)C=CC=C2 Z1255419551 [0,0,0,1,0,1|1,0,1]=4 741 B12R2.32 N#CC1=CC2=C(O1)C=CC=C2 Z381355152 [0,0,0,1,0,1|0,0,1]=3 742 B12R2.32 N#CC1=NC2=C(O1)C=CC=C2 Z1198309541 [0,0,0,1,0,1|0,0,1]=3 743 B12R2.32 N#CC1CC2=C(C1)C=CC=C2 Z449368682 [0,0,0,1,0,1|1,0,0]=3 744 B12R2.32 N#CN1CC2=C(C1)C=CC=C2 Z1258978163 [0,0,0,1,0,1|2,0,0]=4 745 B12R2.32 NCC1CC2=C(O1)C=CC=C2 Z291234246 [0,0,0,1,0,1|0,0,2]=4 746 B12R2.32 OCC1CC2=C(O1)C=CC=C2 Z397587206 [0,0,0,1,0,1|1,0,1]=4 747 B12R2.48 N#CC1(CC1)C2=NC=CC=C2 Z1255366938 [0,1,0,1,0,0|2,0,0]=4 748 B12R2.48 OCC1(CC1)C2=CC=CC=C2 Z1033255944 [0,1,0,1,0,0|1,0,1]=4 749 B12R2.116 OC1(CCC1)C2=CC=CC=C2 Z1198315122 [0,1,0,1,0,0|1,0,1]=4 750 B12R2.2403 CC1(CCC2=C1C=CC=C2)O Z449370928 [0,1,0,1,0,0|1,0,1]=4 751 B12R2.1 N#CC1=CNC2=C1C=CC=C2 Z57204989 [0,1,0,1,0,0|1,0,1]=4 752 B12R2.1 N#CC1=COC2=C1C=CC=C2 Z1188275503 [0,1,0,1,0,0|0,0,1]=3 753 B12R2.1 N#CC1=NNC2=C1C=CC=C2 Z1198158918 [0,1,0,1,0,0|1,0,1]=4 754 B12R2.1 N#CC1=NSC2=C1C=CC=C2 Z3241894086 [0,1,0,1,0,0|0,1,1]=4 755 B12R2.1 N#CC1CCC2=C1C=CC=C2 Z415654704 [0,1,0,1,0,0|1,0,0]=3 756 B12R2.1 N#CC1CSC2=C1C=CC=C2 Z1316762142 [0,1,0,1,0,0|0,1,0]=3 757 B12R2.1 N#CN1N=NC2=C1C=CC=C2 Z1198150978 [0,1,0,1,0,0|2,0,0]=4 758 B12R2.1 NCC1COC2=C1C=CC=C2 Z1197877490 [0,1,0,1,0,0|0,0,2]=4 759 B12R2.1 NCC1OCC2=C1C=CC=C2 Z2310708138 [0,1,0,1,0,0|0,0,2]=4 760 B12R2.1 OCC1CCC2=C1C=CC=C2 Z1148209594 [0,1,0,1,0,0|1,0,1]=4 761 B12R2.1 OCC1CNC2=C1C=CC=C2 Z2213893407 [0,1,0,1,0,0|0,0,2]=4 762 B12R2.1 OCC1CSC2=C1C=CC=C2 Z1316761281 [0,1,0,1,0,0|1,0,1]=4 763 B12R2.1081 OC1CCCC2=C1C=CC=C2 Z56899171 [0,1,0,1,0,0|1,0,1]=4 764 B12R2.1081 OC1CCNC2=C1C=CC=C2 Z1198723522 [0,1,0,1,0,0|0,0,2]=4 765 B12R2.1081 OC1CCOC2=C1C=CC=C2 Z335244980 [0,1,0,1,0,0|1,0,1]=4 766 B12R2.1081 OC1CCSC2=C1C=CC=C2 Z57085790 [0,1,0,1,0,0|1,0,1]=4 767 B12R2.1081 OC1COCC2=C1C=CC=C2 Z1255366473 [0,1,0,1,0,0|1,0,1]=4 768 B12R2.1081 OC1CSCC2=C1C=CC=C2 Z445987402 [0,1,0,1,0,0|1,0,1]=4 769 B12R2.1081 O[C@@H]1CCOC2=C1C=CC=C2 Z959151866 [0,1,0,1,0,0|1,0,1]=4 770 B12R2.1081 O[C@@H]1CCSC2=C1C=CC=C2 Z959151622 [0,1,0,1,0,0|1,0,1]=4 771 B12R2.1081 O[C@H]1CCOC2=C1C=CC=C2 Z959151868 [0,1,0,1,0,0|1,0,1]=4 772 B12R2.1081 O[C@H]1CCSC2=C1C=CC=C2 Z959151626 [0,1,0,1,0,0|1,0,1]=4 773 B12R2.2028 N[C@@H]1C[C@@H](C2=C1C=CC=C2)O Z4591105168 [0,1,0,1,0,0|0,0,2]=4 774 B12R2.2028 O=C1OC(C2=C1C=CC=C2)O Z104507040 [0,1,0,1,0,0|1,0,1]=4 775 B12R2.79 C[C@@H]1O[C@H]1C2=CC=C(C=C2)Cl Z3074487523 [0,1,0,1,0,0|1,0,1]=4 776 B12R2.79 C[C@@H]1O[C@H]1C2=CC=C(C=C2)F Z2527567177 [0,1,0,1,0,0|1,0,1]=4 777 B12R2.612 OC1CCC2=C1C=CC(=C2)Br Z756050350 [0,1,0,1,0,0|1,0,1]=4 778 B12R2.612 OC1CCC2=C1C=CC(=C2)F Z1198318486 [0,1,0,1,0,0|1,0,1]=4 779 B12R2.612 OC1COC2=C1C=CC(=C2)Br Z1362940613 [0,1,0,1,0,0|1,0,1]=4 780 B12R2.612 OC1COC2=C1C=CC(=C2)Cl Z1362956560 [0,1,0,1,0,0|1,0,1]=4 781 B12R2.612 OC1CSC2=C1C=CC(=C2)Br Z1862026249 [0,1,0,1,0,0|1,0,1]=4 782 B12R2.612 O[C@@H]1CCC2=C1C=CC(=C2)Br Z1269146008 [0,1,0,1,0,0|1,0,1]=4 783 B12R2.612 O[C@@H]1CCC2=C1C=CC(=C2)Cl Z959151848 [0,1,0,1,0,0|1,0,1]=4 784 B12R2.612 O[C@@H]1CCC2=C1C=CC(=C2)F Z959151860 [0,1,0,1,0,0|1,0,1]=4 785 B12R2.612 O[C@H]1CCC2=C1C=CC(=C2)Cl Z959151850 [0,1,0,1,0,0|1,0,1]=4 786 B12R2.612 O[C@H]1CCC2=C1C=CC(=C2)F Z959151856 [0,1,0,1,0,0|1,0,1]=4 787 B12R2.80 C[C@@H]1O[C@H]1C2=CC(=CC=C2)Cl Z2525216417 [0,1,0,1,0,0|1,0,1]=4 788 B12R2.132 NC1=CC2=C(C=C1)CCC2O Z1203584428 [0,1,0,1,0,0|1,0,1]=4 789 B12R2.132 OC1CCC2=C1C=C(C=C2)F Z815114600 [0,1,0,1,0,0|1,0,1]=4 790 B12R2.196 OC1CCC2=C(C=CC=C12)Cl Z815114596 [0,1,0,1,0,0|1,0,1]=4 791 B12R2.1728 N#CC1CC2=C1C=C(C=C2)F Z1216846090 [0,1,0,1,0,0|1,0,0]=3 792 B12R2.92 CC1(OC1C2=CC=CC=C2)C Z1486033030 [0,1,0,1,0,0|1,0,1]=4 793 B12R3.12 C1=CC2=C(C=C1)C3OC3C2 Z278165226 [0,0,0,2,0,0|1,0,1]=4 794 B8R1.7 CC(O)C1=CC=CS1 Z335245078 [1,0,0,0,1,0|1,0,1]=4 795 B8R1.8 C#CCN1C=CC=C1 Z440631944 [1,0,0,0,1,0|2,0,0]=4 796 B8R1.8 N#CCC1=CC=CN1 Z810507734 [1,0,0,0,1,0|1,0,0]=3 797 B8R1.8 N#CCC1=CC=NO1 Z90662868 [1,0,0,0,1,0|2,0,0]=4 798 B8R1.8 N#CCC1=CN=CN1 Z1198166128 [1,0,0,0,1,0|2,0,0]=4 799 B8R1.8 N#CCC1=CNN=C1 Z875024638 [1,0,0,0,1,0|2,0,0]=4 800 B8R1.8 N#CCC1=CON=C1 Z600429582 [1,0,0,0,1,0|2,0,0]=4 801 B8R1.8 N#CCC1=CSC=C1 Z111869576 [1,0,0,0,1,0|1,0,0]=3 802 B8R1.8 N#CCC1=CSC=N1 Z164707272 [1,0,0,0,1,0|2,0,0]=4 803 B8R1.8 N#CCC1=NC=CN1 Z331689878 [1,0,0,0,1,0|2,0,0]=4 804 B8R1.8 N#CCC1=NOC=C1 Z1192378401 [1,0,0,0,1,0|2,0,0]=4 805 B8R1.8 N#CCN1C=CC=N1 Z295205174 [1,0,0,0,1,0|2,0,0]=4 806 B12R1.27 CCC(O)CNC1=CC=CC=C1 Z600449702 [0,0,0,0,0,2|1,0,1]=4 807 B12R1.27 NCC(O)COC1=CC=CC=C1 Z271072310 [0,0,0,0,0,2|0,0,2]=4 808 B12R1.27 OC[C@H](O)COC1=CC=CC=C1 Z1201626370 [0,0,0,0,0,2|1,0,1]=4