0 B12R1.16 CCCC(=O)C1=CC=C(C=C1)Cl Z104483624 [0,0,0,0,0,0|2,0,2]=4 1 B12R1.16 CCCC(N)C1=CC=C(C=C1)Cl Z1416203204 [0,0,0,0,0,0|3,0,0]=3 2 B12R1.16 CCNC(=O)C1=CC=C(C=C1)O Z183861716 [0,0,0,0,0,0|2,0,2]=4 3 B12R1.16 CCNC(C)C1=CC=C(C=C1)F Z451452334 [0,0,0,0,0,0|4,0,0]=4 4 B12R1.16 CCOC(=O)C1=CC=C(C=C1)O Z53833636 [0,0,0,0,0,0|2,0,2]=4 5 B12R1.16 CNCC(O)C1=CC=C(C=C1)F Z1263820285 [0,0,0,0,0,0|1,0,0]=1 6 B12R1.16 COCC(N)C1=CC=C(C=C1)F Z1297772361 [0,0,0,0,0,0|3,0,0]=3 7 B12R1.16 NC(CCO)C1=CC=C(C=C1)Br Z979743656 [0,0,0,0,0,0|4,0,0]=4 8 B12R1.16 NC(CCO)C1=CC=C(C=C1)F Z979743658 [0,0,0,0,0,0|4,0,0]=4 9 B11R1.1 C=CCOC1=CC=C(C=C1)O Z381414818 [1,0,0,0,0,0|2,0,1]=4 10 B11R1.1 CC1=CC=C(C=C1)CCCN Z4639316723 [1,0,0,0,0,0|3,0,0]=4 11 B11R1.1 CCCCC1=CC=C(C=C1)N Z104475500 [1,0,0,0,0,0|2,0,0]=3 12 B11R1.1 CCCNC1=CC=C(C=C1)Cl Z1266933829 [1,0,0,0,0,0|3,0,0]=4 13 B11R1.1 CCCOC1=CC=C(C=C1)N Z239604724 [1,0,0,0,0,0|3,0,0]=4 14 B11R1.1 CCNCC1=CC=C(C=C1)F Z3244655509 [1,0,0,0,0,0|3,0,0]=4 15 B11R1.1 CCOCC1=CC=C(C=C1)Br Z823854370 [1,0,0,0,0,0|3,0,0]=4 16 B11R1.1 CCOCC1=CC=C(C=C1)N Z240084570 [1,0,0,0,0,0|3,0,0]=4 17 B11R1.1 CCSCC1=CC=C(C=C1)N Z332378208 [1,0,0,0,0,0|3,0,0]=4 18 B11R1.1 CNCCC1=CC=C(C=C1)Br Z385447024 [1,0,0,0,0,0|1,0,0]=2 19 B11R1.1 CNCCC1=CC=C(C=C1)C Z5115849578 [1,0,0,0,0,0|1,0,0]=2 20 B11R1.1 CNCCC1=CC=C(C=C1)Cl Z1623872266 [1,0,0,0,0,0|1,0,0]=2 21 B11R1.1 CNCCC1=CC=C(C=C1)F Z138454998 [1,0,0,0,0,0|1,0,0]=2 22 B11R1.1 CNCCC1=NC=C(C=N1)Br Z3023504208 [1,0,0,0,0,0|3,0,0]=4 23 B11R1.1 COCCC1=CC=C(C=C1)Br Z299596190 [1,0,0,0,0,0|2,0,0]=3 24 B11R1.1 COCCC1=CC=C(C=C1)Cl Z1470894103 [1,0,0,0,0,0|2,0,0]=3 25 B11R1.1 COCCC1=CC=C(C=C1)O Z104485614 [1,0,0,0,0,0|1,0,0]=2 26 B11R1.1 COCOC1=CC=C(C=C1)N Z1259226853 [1,0,0,0,0,0|3,0,0]=4 27 B11R1.1 CSCCC1=CC=C(C=C1)N Z732207426 [1,0,0,0,0,0|2,0,0]=3 28 B11R1.1 N#CCCC1=CC=C(C=C1)N Z4750298565 [1,0,0,0,0,0|3,0,0]=4 29 B11R1.1 NCCCC1=CC=C(C=C1)Br Z3980240042 [1,0,0,0,0,0|3,0,0]=4 30 B11R1.1 NCCCC1=CC=C(C=C1)Cl Z992716848 [1,0,0,0,0,0|3,0,0]=4 31 B11R1.1 NCCCC1=CC=C(C=C1)F Z3244753845 [1,0,0,0,0,0|3,0,0]=4 32 B11R1.1 NCCCC1=CC=C(C=C1)N Z5453008768 [1,0,0,0,0,0|3,0,0]=4 33 B11R1.1 NCCCC1=CC=C(C=C1)O Z1270210797 [1,0,0,0,0,0|2,0,0]=3 34 B11R1.1 NCCNC1=CC=C(C=C1)O Z3386315806 [1,0,0,0,0,0|3,0,0]=4 35 B11R1.1 O=CCCC1=CC=C(C=C1)Br Z993017756 [1,0,0,0,0,0|3,0,0]=4 36 B11R1.1 O=CCCC1=CC=C(C=C1)Cl Z993017742 [1,0,0,0,0,0|3,0,0]=4 37 B11R1.1 O=CCCC1=CC=C(C=C1)F Z993017748 [1,0,0,0,0,0|3,0,0]=4 38 B11R1.1 OCCCC1=CC=C(C=C1)F Z992949550 [1,0,0,0,0,0|3,0,0]=4 39 B11R1.1 OCCOC1=CC=C(C=C1)O Z381414946 [1,0,0,0,0,0|3,0,0]=4 40 B11R1.16 C#CCC(O)C1=CC=CC=C1 Z932373338 [1,0,0,0,0,0|1,0,1]=3 41 B11R1.16 CC(CC#N)C1=CC=CC=C1 Z1251357056 [1,0,0,0,0,0|3,0,0]=4 42 B11R1.16 CC(CC=O)C1=CC=CC=C1 Z57921394 [1,0,0,0,0,0|3,0,0]=4 43 B11R1.16 CCCC(=O)C1=CC=CC=C1 Z104477742 [1,0,0,0,0,0|1,0,2]=4 44 B11R1.16 CCCC(N)C1=NC=CC=C1 Z513795928 [1,0,0,0,0,0|3,0,0]=4 45 B11R1.16 CCCC(O)C1=CC=CC=C1 Z335244704 [1,0,0,0,0,0|1,0,0]=2 46 B11R1.16 CNCC(C)C1=CC=CC=C1 Z57797325 [1,0,0,0,0,0|1,0,0]=2 47 B11R1.16 COCC(N)C1=CC=CC=C1 Z271013088 [1,0,0,0,0,0|2,0,0]=3 48 B11R1.16 CSCC(=O)C1=CC=CC=C1 Z732208586 [1,0,0,0,0,0|1,0,2]=4 49 B11R1.16 CSCC(N)C1=CC=CC=C1 Z995116260 [1,0,0,0,0,0|2,0,0]=3 50 B11R1.16 N#CCC(N)C1=CC=CC=C1 Z1415893991 [1,0,0,0,0,0|3,0,0]=4 51 B11R1.16 NC(CCO)C1=CC=CC=C1 Z382816560 [1,0,0,0,0,0|3,0,0]=4 52 B11R1.16 NCCC(O)C1=CC=CC=C1 Z1020673398 [1,0,0,0,0,0|2,0,0]=3 53 B11R1.16 O[C@@H](CCCl)C1=CC=CC=C1 Z1255427232 [1,0,0,0,0,0|2,0,0]=3 54 B11R1.16 O[C@H](CCCl)C1=CC=CC=C1 Z1255356297 [1,0,0,0,0,0|2,0,0]=3 55 B11R1.22 CC(CN)C1=CC=C(C=C1)Br Z2906280360 [1,0,0,0,0,0|2,0,0]=3 56 B11R1.22 CC(CN)C1=CC=C(C=C1)F Z415654954 [1,0,0,0,0,0|2,0,0]=3 57 B11R1.22 CC(CO)C1=CC=C(C=C1)F Z1255440783 [1,0,0,0,0,0|3,0,0]=4 58 B11R1.22 CC1=CC=C(C=C1)C(=O)CN Z275368898 [1,0,0,0,0,0|1,0,2]=4 59 B11R1.22 CC1=CC=C(C=C1)C(C)CN Z415654970 [1,0,0,0,0,0|2,0,0]=3 60 B11R1.22 CC1=CC=C(C=C1)C(N)CF Z2474474695 [1,0,0,0,0,0|3,0,0]=4 61 B11R1.22 CC1=CC=C(C=C1)C(N)CO Z5087131901 [1,0,0,0,0,0|3,0,0]=4 62 B11R1.22 CC1=CC=C(C=C1)C(O)CN Z336086536 [1,0,0,0,0,0|1,0,0]=2 63 B11R1.22 CC1=CC=C(C=C1)[C@@H](O)CN Z1895741843 [1,0,0,0,0,0|1,0,0]=2 64 B11R1.22 CCC(=O)C1=CC=C(C=C1)Br Z104485724 [1,0,0,0,0,0|1,0,2]=4 65 B11R1.22 CCC(=O)C1=CC=C(C=C1)Cl Z104477486 [1,0,0,0,0,0|1,0,2]=4 66 B11R1.22 CCC(=O)C1=CC=C(C=C1)F Z104477898 [1,0,0,0,0,0|1,0,2]=4 67 B11R1.22 CCC(=O)C1=CC=C(C=C1)I Z285137052 [1,0,0,0,0,0|1,0,2]=4 68 B11R1.22 CCC(=O)C1=CC=C(C=C1)N Z1203578051 [1,0,0,0,0,0|1,0,2]=4 69 B11R1.22 CCC(=O)C1=CC=C(C=C1)O Z104499156 [1,0,0,0,0,0|0,0,2]=3 70 B11R1.22 CCC(C)C1=CC=C(C=C1)O Z104484172 [1,0,0,0,0,0|1,0,0]=2 71 B11R1.22 CCC(N)C1=CC=C(C=C1)Br Z90662172 [1,0,0,0,0,0|2,0,0]=3 72 B11R1.22 CCC(N)C1=CC=C(C=C1)C Z90662186 [1,0,0,0,0,0|2,0,0]=3 73 B11R1.22 CCC(N)C1=CC=C(C=C1)Cl Z221421644 [1,0,0,0,0,0|2,0,0]=3 74 B11R1.22 CCC(O)C1=CC=C(C=C1)C Z228586316 [1,0,0,0,0,0|1,0,0]=2 75 B11R1.22 CCC(O)C1=CC=C(C=C1)Cl Z228586168 [1,0,0,0,0,0|1,0,0]=2 76 B11R1.22 CCC(O)C1=CC=C(C=C1)F Z228586174 [1,0,0,0,0,0|1,0,0]=2 77 B11R1.22 CCC(O)C1=CC=C(C=C1)O Z228586170 [1,0,0,0,0,0|0,0,0]=1 78 B11R1.22 CCC(O)C1=NC=C(C=C1)F Z1341678257 [1,0,0,0,0,0|2,0,0]=3 79 B11R1.22 CCS(=O)C1=CC=C(C=C1)F Z1154828228 [1,0,0,0,0,0|2,0,1]=4 80 B11R1.22 CC[C@@H](N)C1=CC=C(C=C1)F Z1626921240 [1,0,0,0,0,0|2,0,0]=3 81 B11R1.22 CC[C@H](N)C1=CC=C(C=C1)F Z1625822291 [1,0,0,0,0,0|2,0,0]=3 82 B11R1.22 CNC(=O)C1=CC=C(C=C1)Br Z30272262 [1,0,0,0,0,0|1,0,2]=4 83 B11R1.22 CNC(=O)C1=CC=C(C=C1)C Z32016517 [1,0,0,0,0,0|1,0,2]=4 84 B11R1.22 CNC(=O)C1=CC=C(C=C1)Cl Z32016366 [1,0,0,0,0,0|1,0,2]=4 85 B11R1.22 CNC(=O)C1=CC=C(C=C1)I Z30272273 [1,0,0,0,0,0|1,0,2]=4 86 B11R1.22 CNC(=O)C1=CC=C(C=C1)N Z56985799 [1,0,0,0,0,0|1,0,2]=4 87 B11R1.22 CNC(=O)C1=CC=C(C=C1)O Z183855140 [1,0,0,0,0,0|0,0,2]=3 88 B11R1.22 CNC(C)C1=CC=C(C=C1)C Z239628686 [1,0,0,0,0,0|2,0,0]=3 89 B11R1.22 CNC(C)C1=CC=C(C=C1)Cl Z159528172 [1,0,0,0,0,0|2,0,0]=3 90 B11R1.22 CNC(C)C1=CC=C(C=C1)F Z166605480 [1,0,0,0,0,0|2,0,0]=3 91 B11R1.22 CNC(C)C1=CC=C(C=C1)O Z316170374 [1,0,0,0,0,0|1,0,0]=2 92 B11R1.22 CNC(C)C1=NC=C(C=C1)Cl Z1392162358 [1,0,0,0,0,0|3,0,0]=4 93 B11R1.22 COC(=O)C1=CC=C(C=C1)O Z19674820 [1,0,0,0,0,0|1,0,2]=4 94 B11R1.22 NC(CF)C1=CC=C(C=C1)Cl Z1510155807 [1,0,0,0,0,0|3,0,0]=4 95 B11R1.22 NC(CO)C1=CC=C(C=C1)Br Z2188171600 [1,0,0,0,0,0|3,0,0]=4 96 B11R1.22 NC(CO)C1=CC=C(C=C1)F Z1268152327 [1,0,0,0,0,0|3,0,0]=4 97 B11R1.22 NCC(=O)C1=CC=C(C=C1)Br Z1741980207 [1,0,0,0,0,0|1,0,2]=4 98 B11R1.22 NCC(=O)C1=CC=C(C=C1)Cl Z56928681 [1,0,0,0,0,0|1,0,2]=4 99 B11R1.22 NCC(=O)C1=CC=C(C=C1)F Z275365838 [1,0,0,0,0,0|1,0,2]=4 100 B11R1.22 NCC(=O)C1=CC=C(C=C1)O Z1198177329 [1,0,0,0,0,0|0,0,2]=3 101 B11R1.22 NCC(O)C1=CC=C(C=C1)Cl Z295878600 [1,0,0,0,0,0|1,0,0]=2 102 B11R1.22 NNC(=O)C1=CC=C(C=C1)O Z57036327 [1,0,0,0,0,0|1,0,2]=4 103 B11R1.22 O=C(CCl)C1=CC=C(C=C1)O Z104378296 [1,0,0,0,0,0|1,0,2]=4 104 B13R1.1 CNC(COC)C1=CC=C(C=C1)Cl Z1889909780 [0,1,0,0,0,0|3,0,0]=4 105 B13R1.1 CNC(COC)C1=CC=C(C=C1)F Z825742382 [0,1,0,0,0,0|3,0,0]=4 106 B13R1.17 CCNCC(O)C1=CC=C(C=C1)C Z1020680862 [0,1,0,0,0,0|1,0,0]=2 107 B13R1.17 COCCC(N)C1=CC=C(C=C1)Cl Z1416200955 [0,1,0,0,0,0|3,0,0]=4 108 B13R1.17 OCCCC(O)C1=CC=C(C=C1)F Z1251359270 [0,1,0,0,0,0|2,0,0]=3 109 B13R1.21 CCC(C)C(N)C1=CC=C(C=C1)Cl Z291232760 [0,1,0,0,0,0|3,0,0]=4 110 B13R1.21 CNC(=O)C(C)C1=CC=C(C=C1)F Z3046025591 [0,1,0,0,0,0|2,0,1]=4 111 B13R1.21 CNC(=O)C(N)C1=CC=C(C=C1)C Z1967532451 [0,1,0,0,0,0|2,0,1]=4 112 B13R1.21 CNC(C)C(C)C1=CC=C(C=C1)Cl Z1262590480 [0,1,0,0,0,0|2,0,0]=3 113 B13R1.21 COC(=O)C(O)C1=CC=C(C=C1)F Z847296298 [0,1,0,0,0,0|2,0,1]=4 114 B13R1.21 NC(CO)C(O)C1=CC=C(C=C1)Cl Z2670838766 [0,1,0,0,0,0|3,0,0]=4 115 B13R1.29 CNCC(C)(C)C1=CC=C(C=C1)C Z992942426 [0,1,0,0,0,0|2,0,0]=3 116 B13R1.132 CC(C)CC(N)C1=CC=C(C=C1)Cl Z291232734 [0,1,0,0,0,0|3,0,0]=4 117 B13R1.132 CC(N)CC(O)C1=CC=C(C=C1)F Z1424669539 [0,1,0,0,0,0|2,0,0]=3 118 B13R1.132 CN(C)CC(N)C1=CC=C(C=C1)Cl Z1198218742 [0,1,0,0,0,0|2,0,0]=3 119 B13R1.132 O=C(O)CC(O)C1=CC=C(C=C1)Cl Z982132070 [0,1,0,0,0,0|3,0,0]=4 120 B13R1.132 O=C(O)CC(O)C1=CC=C(C=C1)F Z982132094 [0,1,0,0,0,0|3,0,0]=4 121 B13R1.452 CCCC(=O)C1=CC=C(C=C1)OC Z385418282 [0,1,0,0,0,0|1,0,2]=4 122 B13R1.452 CCCC(N)C1=CC=C(C=C1)OC Z1509094932 [0,1,0,0,0,0|2,0,0]=3 123 B13R1.452 COC1=CC=C(C=C1)C(C)CCN Z851015012 [0,1,0,0,0,0|3,0,0]=4 124 B13R1.466 CCCC(N)C1=CC(=C(C=C1)Br)F Z5496163501 [0,1,0,0,0,0|3,0,0]=4 125 B13R1.466 CCCC(N)C1=CC(=C(C=C1)Cl)Cl Z1262246201 [0,1,0,0,0,0|3,0,0]=4 126 B13R1.466 CNCC(O)C1=CC(=C(C=C1)O)C Z1262591397 [0,1,0,0,0,0|0,0,0]=1 127 B13R1.466 CNC[C@@H](O)C1=CC(=C(C=C1)O)O Z1198154207 [0,1,0,0,0,0|0,0,0]=1 128 B13R1.466 CNC[C@H](O)C1=CC(=C(C=C1)O)O Z1255449978 [0,1,0,0,0,0|0,0,0]=1 129 B13R1.466 NCCC(O)C1=CC(=C(C=C1)Cl)Cl Z1258890570 [0,1,0,0,0,0|3,0,0]=4 130 B13R1.1511 CCCC(N)C1=C(C=C(C=C1)F)F Z335236702 [0,1,0,0,0,0|3,0,0]=4 131 B13R2.12 BrC1=CC=C(C=C1)C2CCCC2 Z1269180595 [0,0,0,1,0,0|3,0,0]=4 132 B13R2.12 BrC1=CC=C(C=C1)C2CCCN2 Z281773782 [0,0,0,1,0,0|3,0,0]=4 133 B13R2.12 BrC1=CC=C(C=C1)C2CCNC2 Z3235035411 [0,0,0,1,0,0|2,0,0]=3 134 B13R2.12 BrC1=CC=C(C=C1)C2OCCO2 Z1269186914 [0,0,0,1,0,0|3,0,0]=4 135 B13R2.12 BrC1=CN=C(C=C1)C2CCNC2 Z4286597850 [0,0,0,1,0,0|3,0,0]=4 136 B13R2.12 CC1=CC=C(C=C1)C2CCCN2 Z281773826 [0,0,0,1,0,0|3,0,0]=4 137 B13R2.12 CC1=CC=C(C=C1)C2CCNC2 Z940902790 [0,0,0,1,0,0|2,0,0]=3 138 B13R2.12 ClC1=CC=C(C=C1)C2CCCN2 Z1262246112 [0,0,0,1,0,0|3,0,0]=4 139 B13R2.12 ClC1=CC=C(C=C1)C2CCNC2 Z1266933891 [0,0,0,1,0,0|2,0,0]=3 140 B13R2.12 FC1=CC=C(C=C1)C2=CCNC2 Z1262610378 [0,0,0,1,0,0|2,0,1]=4 141 B13R2.12 FC1=CC=C(C=C1)C2CCCN2 Z221586518 [0,0,0,1,0,0|3,0,0]=4 142 B13R2.12 FC1=CC=C(C=C1)C2CCNC2 Z940902798 [0,0,0,1,0,0|2,0,0]=3 143 B13R2.12 IC1=CC=C(C=C1)C2CCCN2 Z362776096 [0,0,0,1,0,0|3,0,0]=4 144 B13R2.12 NC1=CC=C(C=C1)C2CCOC2 Z1486013480 [0,0,0,1,0,0|3,0,0]=4 145 B13R2.12 OC1=CC=C(C=C1)C2CCCN2 Z803145548 [0,0,0,1,0,0|2,0,0]=3 146 B13R2.12 OC1=CC=C(C=C1)C2CCNC2 Z2692095167 [0,0,0,1,0,0|1,0,0]=2 147 B13R2.12 OC1=CC=C(C=C1)C2CCOC2 Z1486018525 [0,0,0,1,0,0|2,0,0]=3 148 B13R2.12 OC1=CC=C(C=C1)C2SCCS2 Z57992434 [0,0,0,1,0,0|2,1,0]=4 149 B13R2.12 OC1=CC=C(C=C1)N2CCCC2 Z1198154196 [0,0,0,1,0,0|3,0,0]=4 150 B13R2.12 OC1=NN=C(C=C1)C2CCCO2 Z2733321195 [0,0,0,1,0,0|3,0,0]=4 151 B13R2.520 CC1=CC=C(C=C1)C(N)C2CC2 Z212051920 [0,0,0,1,0,0|3,0,0]=4 152 B13R2.520 NC(C1=CC=C(C=C1)Cl)C2CC2 Z336481690 [0,0,0,1,0,0|3,0,0]=4 153 B13R2.520 NC(C1=CC=C(C=C1)F)C2CC2 Z291232556 [0,0,0,1,0,0|3,0,0]=4 154 B13R2.520 OC(C1=CC=C(C=C1)Br)C2CC2 Z756121470 [0,0,0,1,0,0|2,0,0]=3 155 B13R2.2986 CC1(CNC1)C2=CC=C(C=C2)F Z4180010867 [0,0,0,1,0,0|2,0,0]=3 156 B13R2.2986 CC1=CC=C(C=C1)C2(CCC2)N Z2442062240 [0,0,0,1,0,0|3,0,0]=4 157 B13R2.2986 FC1(CNC1)C2=CC=C(C=C2)Br Z2934452043 [0,0,0,1,0,0|2,0,0]=3 158 B13R2.2986 NC1(CCC1)C2=CC=C(C=C2)Br Z607822450 [0,0,0,1,0,0|3,0,0]=4 159 B13R2.2986 NC1(CCC1)C2=CC=C(C=C2)Cl Z381654476 [0,0,0,1,0,0|3,0,0]=4 160 B13R2.2986 NC1(CCC1)C2=CC=C(C=C2)F Z381654552 [0,0,0,1,0,0|3,0,0]=4 161 B13R2.2986 OC1(CCC1)C2=CC=C(C=C2)F Z1302423014 [0,0,0,1,0,0|2,0,0]=3 162 B13R2.2986 OC1(CNC1)C2=CC=C(C=C2)Br Z2582758894 [0,0,0,1,0,0|1,0,0]=2 163 B13R2.2986 OC1(CNC1)C2=CC=C(C=C2)Cl Z4473823969 [0,0,0,1,0,0|1,0,0]=2 164 B13R2.5179 CC1CNCC2=C1C=CC(=C2)Br Z3013893906 [0,0,0,1,0,0|2,0,0]=3 165 B13R2.5179 NC1CCCC2=C1C=CC(=C2)O Z2867491070 [0,0,0,1,0,0|2,0,0]=3 166 B13R2.5179 N[C@@H]1CCCC2=C1C=CC(=C2)F Z1357774230 [0,0,0,1,0,0|3,0,0]=4 167 B13R2.5179 O=C1CCCC2=C1C=CC(=C2)O Z877546758 [0,0,0,1,0,0|1,0,2]=4 168 B13R2.5179 OC1CCCC2=C1C=CC(=C2)F Z1255366926 [0,0,0,1,0,0|2,0,0]=3 169 B13R2.5187 CC1=CN(C2=C1C=CC(=C2)O)C Z3026366613 [0,0,0,1,0,0|1,0,2]=4 170 B13R2.5187 CC1=NN(C2=C1C=CC(=C2)O)C Z1618029061 [0,0,0,1,0,0|2,0,1]=4 171 B13R1.19 CNCC(=O)NC1=CC=C(C=C1)C Z46191128 [0,0,0,0,0,1|1,0,2]=4 172 B13R1.19 CNCC(=O)NC1=CC=C(C=C1)Cl Z56957571 [0,0,0,0,0,1|1,0,2]=4 173 B13R1.19 CNCC(=O)NC1=CC=C(C=C1)F Z46191184 [0,0,0,0,0,1|1,0,2]=4 174 B13R1.19 CNCC(=O)NC1=CC=C(C=C1)O Z1162448845 [0,0,0,0,0,1|0,0,2]=3 175 B13R1.19 CSCC(=O)NC1=CC=C(C=C1)O Z351737026 [0,0,0,0,0,1|1,0,2]=4 176 B10R1.1 CC1=CC=C(C=C1)CCN Z1268153218 [2,0,0,0,0,0|1,0,0]=3 177 B10R1.1 CC1=CC=C(C=C1)CCO Z397587076 [2,0,0,0,0,0|2,0,0]=4 178 B10R1.1 CC1=NC=C(C=C1)CCN Z600584220 [2,0,0,0,0,0|2,0,0]=4 179 B10R1.1 CCCC1=CC=C(C=C1)Br Z299596168 [2,0,0,0,0,0|1,0,0]=3 180 B10R1.1 CCCC1=CC=C(C=C1)N Z104492166 [2,0,0,0,0,0|1,0,0]=3 181 B10R1.1 CCNC1=CC=C(C=C1)Br Z286365048 [2,0,0,0,0,0|2,0,0]=4 182 B10R1.1 CCNC1=CC=C(C=C1)Cl Z2902298062 [2,0,0,0,0,0|2,0,0]=4 183 B10R1.1 CCNC1=CC=C(C=C1)F Z89270849 [2,0,0,0,0,0|2,0,0]=4 184 B10R1.1 CCNC1=CC=C(C=C1)N Z359511474 [2,0,0,0,0,0|2,0,0]=4 185 B10R1.1 CCNC1=CC=C(C=C1)O Z1823256830 [2,0,0,0,0,0|1,0,0]=3 186 B10R1.1 CCOC1=CC=C(C=C1)C Z53834228 [2,0,0,0,0,0|2,0,0]=4 187 B10R1.1 CCOC1=CC=C(C=C1)N Z57127438 [2,0,0,0,0,0|2,0,0]=4 188 B10R1.1 CCOC1=CC=C(C=C1)S Z166646982 [2,0,0,0,0,0|1,1,0]=4 189 B10R1.1 CNCC1=CC=C(C=C1)Br Z56175269 [2,0,0,0,0,0|1,0,0]=3 190 B10R1.1 CNCC1=CC=C(C=C1)C Z56944115 [2,0,0,0,0,0|1,0,0]=3 191 B10R1.1 CNCC1=CC=C(C=C1)Cl Z56956070 [2,0,0,0,0,0|1,0,0]=3 192 B10R1.1 CNCC1=CC=C(C=C1)F Z56963340 [2,0,0,0,0,0|1,0,0]=3 193 B10R1.1 CNCC1=CC=C(C=C1)I Z4242747560 [2,0,0,0,0,0|1,0,0]=3 194 B10R1.1 CNCC1=CN=C(C=C1)Cl Z265498862 [2,0,0,0,0,0|2,0,0]=4 195 B10R1.1 CNCC1=CN=C(C=C1)F Z1745074466 [2,0,0,0,0,0|2,0,0]=4 196 B10R1.1 CNCC1=CN=C(C=C1)N Z1255388567 [2,0,0,0,0,0|2,0,0]=4 197 B10R1.1 CNCC1=NC=C(C=C1)Br Z5436471179 [2,0,0,0,0,0|2,0,0]=4 198 B10R1.1 CNCC1=NC=C(C=C1)C Z1255425232 [2,0,0,0,0,0|2,0,0]=4 199 B10R1.1 COCC1=CC=C(C=C1)N Z240084568 [2,0,0,0,0,0|2,0,0]=4 200 B10R1.1 CSCC1=CC=C(C=C1)Br Z19854469 [2,0,0,0,0,0|2,0,0]=4 201 B10R1.1 CSCC1=CC=C(C=C1)N Z732207336 [2,0,0,0,0,0|2,0,0]=4 202 B10R1.1 N#CCC1=CC=C(C=C1)O Z90120144 [2,0,0,0,0,0|0,0,2]=4 203 B10R1.1 NC1=CC=C(C=C1)CCO Z276600190 [2,0,0,0,0,0|2,0,0]=4 204 B10R1.1 NCCC1=CC=C(C=C1)Br Z285143750 [2,0,0,0,0,0|1,0,0]=3 205 B10R1.1 NCCC1=CC=C(C=C1)Cl Z57051065 [2,0,0,0,0,0|1,0,0]=3 206 B10R1.1 NCCC1=CC=C(C=C1)F Z90122126 [2,0,0,0,0,0|1,0,0]=3 207 B10R1.1 NCCC1=CC=C(C=C1)I Z2515133713 [2,0,0,0,0,0|1,0,0]=3 208 B10R1.1 NCCC1=CC=C(C=C1)O Z744729058 [2,0,0,0,0,0|0,0,0]=2 209 B10R1.1 NCCC1=CN=C(C=C1)Cl Z1198178633 [2,0,0,0,0,0|2,0,0]=4 210 B10R1.1 NCCC1=CN=C(N=C1)O Z2725055726 [2,0,0,0,0,0|2,0,0]=4 211 B10R1.1 NCCC1=NC=C(C=C1)F Z2238508662 [2,0,0,0,0,0|2,0,0]=4 212 B10R1.1 NCCC1=NC=C(C=C1)O Z2350909287 [2,0,0,0,0,0|1,0,0]=3 213 B10R1.1 NOCC1=CC=C(C=C1)Cl Z1198164677 [2,0,0,0,0,0|2,0,0]=4 214 B10R1.1 OCCC1=CC=C(C=C1)Br Z397587340 [2,0,0,0,0,0|2,0,0]=4 215 B10R1.1 OCCC1=CC=C(C=C1)F Z397587326 [2,0,0,0,0,0|2,0,0]=4 216 B10R1.1 OCCC1=CC=C(C=C1)O Z1250886919 [2,0,0,0,0,0|1,0,0]=3 217 B10R1.17 CCCCC1=CC=CC=C1 Z104492496 [2,0,0,0,0,0|1,0,0]=3 218 B10R1.17 CCNCC1=CC=CC=C1 Z57327176 [2,0,0,0,0,0|2,0,0]=4 219 B10R1.17 CNCCC1=CC=CC=C1 Z445226260 [2,0,0,0,0,0|0,0,0]=2 220 B10R1.17 CNCCC1=CC=NC=C1 Z235580560 [2,0,0,0,0,0|1,0,0]=3 221 B10R1.17 CNCCC1=CN=CC=C1 Z2418466818 [2,0,0,0,0,0|1,0,0]=3 222 B10R1.17 CNCCC1=NC=CC=C1 Z2238930991 [2,0,0,0,0,0|1,0,0]=3 223 B10R1.17 CNCCC1=NC=CC=N1 Z3023337072 [2,0,0,0,0,0|2,0,0]=4 224 B10R1.17 COCCC1=CC=CC=C1 Z104494216 [2,0,0,0,0,0|1,0,0]=3 225 B10R1.17 N#CCCC1=CC=CC=C1 Z104507980 [2,0,0,0,0,0|2,0,0]=4 226 B10R1.17 NCCCC1=CC=CC=C1 Z104478312 [2,0,0,0,0,0|2,0,0]=4 227 B10R1.17 NNCCC1=CC=CC=C1 Z927192062 [2,0,0,0,0,0|1,0,0]=3 228 B10R1.17 O=CCCC1=CC=CC=C1 Z87002472 [2,0,0,0,0,0|2,0,0]=4 229 B10R1.17 OCCCC1=CC=CC=C1 Z104476660 [2,0,0,0,0,0|2,0,0]=4 230 B10R1.15 C=C(CN)C1=CC=CC=C1 Z2065464323 [2,0,0,0,0,0|1,0,1]=4 231 B10R1.15 C=CC(O)C1=CC=CC=C1 Z1255438717 [2,0,0,0,0,0|0,0,2]=4 232 B10R1.15 CC(CBr)C1=CC=CC=C1 Z756118300 [2,0,0,0,0,0|2,0,0]=4 233 B10R1.15 CC(CN)C1=CC=NC=C1 Z415654978 [2,0,0,0,0,0|2,0,0]=4 234 B10R1.15 CCC(=O)C1=CC=CC=C1 Z104473068 [2,0,0,0,0,0|0,0,2]=4 235 B10R1.15 CCC(N)C1=CC=CC=C1 Z1262252904 [2,0,0,0,0,0|1,0,0]=3 236 B10R1.15 CCC(N)C1=CC=NC=C1 Z228583312 [2,0,0,0,0,0|2,0,0]=4 237 B10R1.15 CCC(O)C1=CC=CC=C1 Z335245178 [2,0,0,0,0,0|0,0,0]=2 238 B10R1.15 CCC(O)C1=CC=NC=C1 Z513749638 [2,0,0,0,0,0|1,0,0]=3 239 B10R1.15 CNC(=N)C1=CC=CC=C1 Z2096088186 [2,0,0,0,0,0|1,0,1]=4 240 B10R1.15 CNC(=O)C1=CC=CC=C1 Z32016410 [2,0,0,0,0,0|0,0,2]=4 241 B10R1.15 CNC(C)C1=CC=CC=C1 Z85917524 [2,0,0,0,0,0|1,0,0]=3 242 B10R1.15 CNC(C)C1=CN=CC=C1 Z451350188 [2,0,0,0,0,0|2,0,0]=4 243 B10R1.15 CNC(C)C1=NC=CC=C1 Z451350194 [2,0,0,0,0,0|2,0,0]=4 244 B10R1.15 C[C@H](CN)C1=CC=CC=C1 Z1203578128 [2,0,0,0,0,0|1,0,0]=3 245 B10R1.15 NC(CO)C1=CC=CC=C1 Z381674942 [2,0,0,0,0,0|2,0,0]=4 246 B10R1.15 NCC(=O)C1=CC=CC=C1 Z600428568 [2,0,0,0,0,0|0,0,2]=4 247 B10R1.15 NCC(N)C1=CC=CC=C1 Z425861034 [2,0,0,0,0,0|1,0,0]=3 248 B10R1.15 NCC(O)C1=CC=CC=C1 Z104476088 [2,0,0,0,0,0|0,0,0]=2 249 B10R1.15 NCC(O)C1=CN=CC=C1 Z336086578 [2,0,0,0,0,0|1,0,0]=3 250 B10R1.15 NCC(O)C1=NC=CC=C1 Z802671456 [2,0,0,0,0,0|1,0,0]=3 251 B10R1.15 N[C@@H](CO)C1=CC=CC=C1 Z1201618614 [2,0,0,0,0,0|2,0,0]=4 252 B10R1.15 N[C@H](CO)C1=CC=CC=C1 Z1101444224 [2,0,0,0,0,0|2,0,0]=4 253 B10R1.15 OCC(O)C1=CC=NC=C1 Z2736474279 [2,0,0,0,0,0|2,0,0]=4 254 B10R1.15 OCC(O)C1=NC=CC=C1 Z4985119178 [2,0,0,0,0,0|2,0,0]=4 255 B10R1.13 CC(=O)C1=CC=C(C=C1)O Z57040434 [2,0,0,0,0,0|0,0,2]=4 256 B10R1.13 CC(C)C1=CC=C(C=C1)Br Z732229746 [2,0,0,0,0,0|2,0,0]=4 257 B10R1.13 CC(C)C1=CC=C(C=C1)Cl Z1255372793 [2,0,0,0,0,0|2,0,0]=4 258 B10R1.13 CC(C)C1=CC=C(C=C1)N Z104476320 [2,0,0,0,0,0|2,0,0]=4 259 B10R1.13 CC(C)C1=CC=C(C=C1)O Z56347200 [2,0,0,0,0,0|1,0,0]=3 260 B10R1.13 CC(N)C1=CC=C(C=C1)Br Z56347162 [2,0,0,0,0,0|2,0,0]=4 261 B10R1.13 CC(N)C1=CC=C(C=C1)Cl Z56347112 [2,0,0,0,0,0|2,0,0]=4 262 B10R1.13 CC(N)C1=CC=C(C=C1)O Z1741968989 [2,0,0,0,0,0|1,0,0]=3 263 B10R1.13 CC(N)C1=CN=C(C=C1)O Z4423361180 [2,0,0,0,0,0|2,0,0]=4 264 B10R1.13 CC(O)C1=CC=C(C=C1)Br Z335244904 [2,0,0,0,0,0|1,0,0]=3 265 B10R1.13 CC(O)C1=CC=C(C=C1)Cl Z104479788 [2,0,0,0,0,0|1,0,0]=3 266 B10R1.13 CC(O)C1=CC=C(C=C1)F Z56347219 [2,0,0,0,0,0|1,0,0]=3 267 B10R1.13 CC(O)C1=CC=C(C=C1)I Z228586282 [2,0,0,0,0,0|1,0,0]=3 268 B10R1.13 CC(O)C1=NC=C(C=C1)F Z1255406174 [2,0,0,0,0,0|2,0,0]=4 269 B10R1.13 CC1=CC=C(C=C1)C(C)C Z104497772 [2,0,0,0,0,0|2,0,0]=4 270 B10R1.13 CC1=CC=C(C=C1)[C@@H](C)O Z1127664396 [2,0,0,0,0,0|1,0,0]=3 271 B10R1.13 CC1=CC=C(C=C1)[C@H](C)O Z1127664278 [2,0,0,0,0,0|1,0,0]=3 272 B10R1.13 CN(C)C1=CC=C(C=C1)O Z137981254 [2,0,0,0,0,0|2,0,0]=4 273 B10R1.13 C[C@@H](O)C1=CC=C(C=C1)Br Z850973968 [2,0,0,0,0,0|1,0,0]=3 274 B10R1.13 C[C@@H](O)C1=CC=C(C=C1)I Z360055808 [2,0,0,0,0,0|1,0,0]=3 275 B10R1.13 C[C@H](N)C1=CC=C(C=C1)Br Z1869802525 [2,0,0,0,0,0|2,0,0]=4 276 B10R1.13 C[C@H](N)C1=CC=C(C=C1)I Z1696091699 [2,0,0,0,0,0|2,0,0]=4 277 B10R1.13 C[C@H](N)C1=CC=C(C=C1)O Z3183546879 [2,0,0,0,0,0|1,0,0]=3 278 B10R1.13 C[C@H](O)C1=CC=C(C=C1)Br Z850973970 [2,0,0,0,0,0|1,0,0]=3 279 B10R1.13 C[C@H](O)C1=CC=C(C=C1)I Z360055806 [2,0,0,0,0,0|1,0,0]=3 280 B10R1.13 N=C(N)C1=CC=C(C=C1)O Z1262398570 [2,0,0,0,0,0|1,0,1]=4 281 B10R1.13 NC(=O)C1=CC=C(C=C1)O Z104502228 [2,0,0,0,0,0|0,0,2]=4 282 B10R1.13 NC(=S)C1=CC=C(C=C1)O Z90124534 [2,0,0,0,0,0|0,1,1]=4 283 B10R1.13 O=C(O)C1=CC=C(C=C1)O Z104498098 [2,0,0,0,0,0|1,0,1]=4 284 B10R1.13 OB(O)C1=CC=C(C=C1)O Z336080006 [2,0,0,0,0,0|2,0,0]=4 285 B12R1.1 CCCCOC1=CC=C(C=C1)O Z381414690 [1,1,0,0,0,0|1,0,0]=3 286 B12R1.1 CCCNCC1=CC=C(C=C1)F Z57065603 [1,1,0,0,0,0|2,0,0]=4 287 B12R1.1 CNC/C=C/C1=CC=C(C=C1)Br Z1834223589 [1,1,0,0,0,0|1,0,1]=4 288 B12R1.1 CNCCOC1=CC=C(C=C1)Br Z55993065 [1,1,0,0,0,0|1,0,0]=3 289 B12R1.1 CNCCOC1=CC=C(C=C1)C Z138105388 [1,1,0,0,0,0|1,0,0]=3 290 B12R1.1 CNCCOC1=CC=C(C=C1)Cl Z56963344 [1,1,0,0,0,0|1,0,0]=3 291 B12R1.1 CNCCOC1=CC=C(C=C1)F Z138105420 [1,1,0,0,0,0|1,0,0]=3 292 B12R1.1 CNCCOC1=CC=C(C=C1)O Z1209979801 [1,1,0,0,0,0|0,0,0]=2 293 B12R1.1 COCCNC1=CC=C(C=C1)N Z812516870 [1,1,0,0,0,0|2,0,0]=4 294 B12R1.1 COCCOC1=CC=C(C=C1)Br Z167838728 [1,1,0,0,0,0|2,0,0]=4 295 B12R1.1 COCCOC1=CC=C(C=C1)F Z285938284 [1,1,0,0,0,0|2,0,0]=4 296 B12R1.1 COCCOC1=CC=C(C=C1)O Z381414750 [1,1,0,0,0,0|1,0,0]=3 297 B12R1.1 COCCOC1=CC=C(C=C1)S Z1689885585 [1,1,0,0,0,0|1,1,0]=4 298 B12R1.1 COCCSC1=CC=C(C=C1)N Z412014166 [1,1,0,0,0,0|2,0,0]=4 299 B12R1.1 CSCCOC1=CC=C(C=C1)I Z54518503 [1,1,0,0,0,0|2,0,0]=4 300 B12R1.1 NC1=CC=C(C=C1)CCCCO Z1262622677 [1,1,0,0,0,0|2,0,0]=4 301 B12R1.1 NCCCCC1=CC=C(C=C1)Br Z5880376049 [1,1,0,0,0,0|2,0,0]=4 302 B12R1.1 NCCCCC1=CC=C(C=C1)Cl Z3234944947 [1,1,0,0,0,0|2,0,0]=4 303 B12R1.1 NNCCOC1=CC=C(C=C1)Cl Z94597880 [1,1,0,0,0,0|2,0,0]=4 304 B12R1.21 CC(=O)CCC1=CC=C(C=C1)C Z406376788 [1,1,0,0,0,0|2,0,0]=4 305 B12R1.21 CC(=O)CCC1=CC=C(C=C1)F Z406376784 [1,1,0,0,0,0|2,0,0]=4 306 B12R1.21 CC(=O)CCC1=CC=C(C=C1)I Z1263632422 [1,1,0,0,0,0|2,0,0]=4 307 B12R1.21 CC(C)CCC1=CC=C(C=C1)N Z424736042 [1,1,0,0,0,0|2,0,0]=4 308 B12R1.21 CC(C)COC1=CC=C(C=C1)O Z381414742 [1,1,0,0,0,0|2,0,0]=4 309 B12R1.21 CC(N)CCC1=CC=C(C=C1)Br Z235361851 [1,1,0,0,0,0|2,0,0]=4 310 B12R1.21 CC(N)CCC1=CC=C(C=C1)I Z1947443961 [1,1,0,0,0,0|2,0,0]=4 311 B12R1.21 CC(N)CCC1=CC=C(C=C1)O Z220327456 [1,1,0,0,0,0|1,0,0]=3 312 B12R1.21 CC(O)CCC1=CC=C(C=C1)O Z57921369 [1,1,0,0,0,0|1,0,0]=3 313 B12R1.21 CN(C)CCC1=CC=C(C=C1)Br Z2335774813 [1,1,0,0,0,0|1,0,0]=3 314 B12R1.21 CN(C)CCC1=CC=C(C=C1)N Z335289246 [1,1,0,0,0,0|1,0,0]=3 315 B12R1.21 O=C(O)CCC1=CC=C(C=C1)O Z317038012 [1,1,0,0,0,0|2,0,0]=4 316 B12R1.49 CCC(C)OC1=CC=C(C=C1)O Z381414944 [1,1,0,0,0,0|2,0,0]=4 317 B12R1.49 CCC(N)CC1=CC=C(C=C1)Br Z2582143601 [1,1,0,0,0,0|2,0,0]=4 318 B12R1.49 CCC(N)CC1=CC=C(C=C1)C Z431980102 [1,1,0,0,0,0|2,0,0]=4 319 B12R1.49 CCC(N)CC1=CC=C(C=C1)Cl Z2044769785 [1,1,0,0,0,0|2,0,0]=4 320 B12R1.49 CCC(N)CC1=CC=C(C=C1)F Z2492774579 [1,1,0,0,0,0|2,0,0]=4 321 B12R1.49 CCC(N)CC1=CC=C(C=C1)O Z1815149210 [1,1,0,0,0,0|1,0,0]=3 322 B12R1.49 CCC(O)CC1=CC=C(C=C1)C Z513751166 [1,1,0,0,0,0|2,0,0]=4 323 B12R1.49 CNC(=O)CC1=CC=C(C=C1)Br Z30272406 [1,1,0,0,0,0|1,0,1]=4 324 B12R1.49 CNC(=O)CC1=CC=C(C=C1)N Z239124750 [1,1,0,0,0,0|1,0,1]=4 325 B12R1.49 CNC(=O)CC1=CC=C(C=C1)O Z135505392 [1,1,0,0,0,0|0,0,1]=3 326 B12R1.49 N[C@@H](CO)CC1=CC=C(C=C1)O Z295456854 [1,1,0,0,0,0|2,0,0]=4 327 B12R1.49 N[C@H](CO)CC1=CC=C(C=C1)O Z203038576 [1,1,0,0,0,0|2,0,0]=4 328 B12R1.49 O=C(CC1=CC=C(C=C1)O)NO Z135512374 [1,1,0,0,0,0|1,0,1]=4 329 B12R1.69 CNCCC1=C(C=C(C=C1)F)F Z3302963389 [1,1,0,0,0,0|1,0,0]=3 330 B12R1.71 CCCCC1=CC=C(C=C1)C=O Z385369906 [1,1,0,0,0,0|1,0,1]=4 331 B12R1.71 CCCCC1=CC=C(C=C1)NC Z1331041631 [1,1,0,0,0,0|2,0,0]=4 332 B12R1.71 CCCOC1=CC=C(C=C1)CO Z54603099 [1,1,0,0,0,0|2,0,0]=4 333 B12R1.71 CCNCC1=CC=C(C=C1)OC Z451452322 [1,1,0,0,0,0|2,0,0]=4 334 B12R1.71 COC1=CC=C(C=C1)CCC=O Z1079442590 [1,1,0,0,0,0|2,0,0]=4 335 B12R1.71 COC1=CC=C(C=C1)CCCN Z291234224 [1,1,0,0,0,0|2,0,0]=4 336 B12R1.71 COC1=CC=C(C=C1)CCNN Z2327071096 [1,1,0,0,0,0|1,0,0]=3 337 B12R1.71 COCCC1=CC=C(C=C1)CO Z385370424 [1,1,0,0,0,0|1,0,0]=3 338 B12R1.385 CCCCC1=CC(=C(C=C1)C)N Z1262626215 [1,1,0,0,0,0|2,0,0]=4 339 B12R1.385 CCCCC1=CC(=C(C=C1)O)C Z1416171318 [1,1,0,0,0,0|1,0,0]=3 340 B12R1.385 CNCCC1=CC(=C(C=C1)O)Br Z3710478807 [1,1,0,0,0,0|0,0,0]=2 341 B12R1.385 COCCC1=CC(=C(C=C1)O)Cl Z1513901493 [1,1,0,0,0,0|1,0,0]=3 342 B12R1.3 CCCC(C=O)C1=CC=CC=C1 Z1251357295 [1,1,0,0,0,0|1,0,1]=4 343 B12R1.17 CNC[C@H](O)C1=CC(=CC=C1)O Z1198723489 [1,1,0,0,0,0|0,0,0]=2 344 B12R1.17 COCC(O)C1=CC(=CC=C1)N Z970071366 [1,1,0,0,0,0|1,0,0]=3 345 B12R1.17 N#CCC(O)C1=CC(=CC=C1)Cl Z1255429594 [1,1,0,0,0,0|2,0,0]=4 346 B12R1.30 CCCCC(O)C1=CC=CC=C1 Z445987132 [1,1,0,0,0,0|1,0,0]=3 347 B12R1.30 CCCC[C@@H](N)C1=CC=CC=C1 Z1642061107 [1,1,0,0,0,0|2,0,0]=4 348 B12R1.30 CCCC[C@@H](O)C1=CC=CC=C1 Z1127664488 [1,1,0,0,0,0|1,0,0]=3 349 B12R1.30 CCCC[C@H](N)C1=CC=CC=C1 Z1649893428 [1,1,0,0,0,0|2,0,0]=4 350 B12R1.30 CCCC[C@H](O)C1=CC=CC=C1 Z1127664374 [1,1,0,0,0,0|1,0,0]=3 351 B12R1.30 CCCNC(C)C1=CC=CC=C1 Z57397067 [1,1,0,0,0,0|2,0,0]=4 352 B12R1.30 CCNCC(N)C1=CC=CC=C1 Z756920572 [1,1,0,0,0,0|1,0,0]=3 353 B12R1.30 CNCCN(C)C1=CC=CC=C1 Z335286914 [1,1,0,0,0,0|2,0,0]=4 354 B12R1.30 COCCC(O)C1=CC=CC=C1 Z818738046 [1,1,0,0,0,0|1,0,0]=3 355 B12R1.30 NC(CCCO)C1=CC=CC=C1 Z1245735325 [1,1,0,0,0,0|2,0,0]=4 356 B12R1.34 CCC(N)C(C)C1=CC=CC=C1 Z1318372590 [1,1,0,0,0,0|2,0,0]=4 357 B12R1.34 CCC(N)C(O)C1=CC=CC=C1 Z1695783907 [1,1,0,0,0,0|1,0,0]=3 358 B12R1.34 CNC(=O)C(N)C1=CC=CC=C1 Z594038166 [1,1,0,0,0,0|1,0,1]=4 359 B12R1.34 CNC(=O)C(O)C1=CC=CC=C1 Z1203869997 [1,1,0,0,0,0|0,0,1]=3 360 B12R1.34 COC(=O)C(O)C1=CC=CC=C1 Z19752945 [1,1,0,0,0,0|1,0,1]=4 361 B12R1.39 CC(O)(CCN)C1=CC=CC=C1 Z1182310345 [1,1,0,0,0,0|2,0,0]=4 362 B12R1.39 CNCC(F)(F)C1=CC=CC=C1 Z5719431865 [1,1,0,0,0,0|1,0,0]=3 363 B12R1.39 COCC(C)(N)C1=CC=CC=C1 Z992444342 [1,1,0,0,0,0|2,0,0]=4 364 B12R1.39 COCC(C)(O)C1=CC=CC=C1 Z992444182 [1,1,0,0,0,0|1,0,0]=3 365 B12R1.107 C=C(C)CC(N)C1=CC=CC=C1 Z4497189696 [1,1,0,0,0,0|2,0,0]=4 366 B12R1.107 CC(C)CC(N)C1=CC=CC=C1 Z85929891 [1,1,0,0,0,0|2,0,0]=4 367 B12R1.107 CC(C)CC(O)C1=NC=CC=C1 Z513749474 [1,1,0,0,0,0|2,0,0]=4 368 B12R1.107 CC(N)CC(O)C1=CC=CC=C1 Z1262623600 [1,1,0,0,0,0|1,0,0]=3 369 B12R1.107 CN(C)CC(N)C1=CN=CC=C1 Z5022208875 [1,1,0,0,0,0|2,0,0]=4 370 B12R1.107 CS(=O)CC(N)C1=CC=CC=C1 Z1238793494 [1,1,0,0,0,0|2,0,0]=4 371 B12R1.107 O=C(O)CC(O)C1=CC=CC=C1 Z982132010 [1,1,0,0,0,0|2,0,0]=4 372 B12R1.308 CCCC(O)C1=C(C=CC=C1)Cl Z733415366 [1,1,0,0,0,0|1,0,0]=3 373 B12R1.5 CCC(C)C1=CC=C(C=C1)C=O Z385369904 [1,1,0,0,0,0|1,0,1]=4 374 B12R1.5 CCC(N)C1=CC=C(C=C1)OC Z85929849 [1,1,0,0,0,0|1,0,0]=3 375 B12R1.5 CCC(O)C1=CC=C(C=C1)OC Z228586320 [1,1,0,0,0,0|0,0,0]=2 376 B12R1.5 CCN(C)C1=CC=C(C=C1)CO Z409026316 [1,1,0,0,0,0|2,0,0]=4 377 B12R1.5 CNC(=O)C1=CC=C(C=C1)OC Z32016396 [1,1,0,0,0,0|0,0,2]=4 378 B12R1.5 CNC(C)C1=CC=C(C=C1)OC Z239628826 [1,1,0,0,0,0|1,0,0]=3 379 B12R1.5 COC1=CC=C(C=C1)C(N)CO Z1263714101 [1,1,0,0,0,0|2,0,0]=4 380 B12R1.5 NCC(N)C1=CC=C(C=C1)CO Z3475823886 [1,1,0,0,0,0|1,0,0]=3 381 B12R1.9 CC(C)(CN)C1=CC=C(C=C1)Br Z415697662 [1,1,0,0,0,0|2,0,0]=4 382 B12R1.9 CC(C)(CN)C1=CC=C(C=C1)Cl Z556092664 [1,1,0,0,0,0|2,0,0]=4 383 B12R1.9 CC(C)(CN)C1=CC=C(C=C1)F Z725146590 [1,1,0,0,0,0|2,0,0]=4 384 B12R1.9 CC(C)(CN)C1=CC=C(C=C1)O Z4309614316 [1,1,0,0,0,0|1,0,0]=3 385 B12R1.9 CC(N)(CO)C1=CC=C(C=C1)O Z2111443595 [1,1,0,0,0,0|2,0,0]=4 386 B12R1.9 CC(O)(CN)C1=CC=C(C=C1)F Z1020684278 [1,1,0,0,0,0|1,0,0]=3 387 B12R1.9 CC(O)(CO)C1=CC=C(C=C1)Br Z1537124450 [1,1,0,0,0,0|2,0,0]=4 388 B12R1.9 CC1=CC=C(C=C1)C(C)(C)CN Z725146612 [1,1,0,0,0,0|2,0,0]=4 389 B12R1.9 CCC(C)(C)C1=CC=C(C=C1)Br Z1270554970 [1,1,0,0,0,0|2,0,0]=4 390 B12R1.9 CCC(C)(C)C1=CC=C(C=C1)O Z104477686 [1,1,0,0,0,0|1,0,0]=3 391 B12R1.9 CCC(C)(O)C1=CC=C(C=C1)Cl Z449374102 [1,1,0,0,0,0|1,0,0]=3 392 B12R1.9 CNS(=O)(=O)C1=CC=C(C=C1)O Z381036150 [1,1,0,0,0,0|1,0,1]=4 393 B12R1.12 CC/C(=N/O)/C1=CC=C(C=C1)O Z49568596 [1,1,0,0,0,0|0,0,1]=3 394 B12R1.12 CCC(C#N)C1=CC=C(C=C1)Cl Z1198339343 [1,1,0,0,0,0|2,0,0]=4 395 B12R1.12 CCC(CN)C1=CC=C(C=C1)Cl Z1198306661 [1,1,0,0,0,0|2,0,0]=4 396 B12R1.12 CNC(CF)C1=CC=C(C=C1)Br Z3179025555 [1,1,0,0,0,0|2,0,0]=4 397 B12R1.12 CNC(CN)C1=CC=C(C=C1)F Z941154056 [1,1,0,0,0,0|2,0,0]=4 398 B12R1.12 CNC(CO)C1=CC=C(C=C1)Cl Z2235386839 [1,1,0,0,0,0|1,0,0]=3 399 B12R1.12 COC(CN)C1=CC=C(C=C1)C Z4168346391 [1,1,0,0,0,0|1,0,0]=3 400 B12R1.12 COC(CN)C1=CC=C(C=C1)Cl Z838184210 [1,1,0,0,0,0|1,0,0]=3 401 B12R1.12 COC(CN)C1=CC=C(C=C1)F Z1278866649 [1,1,0,0,0,0|1,0,0]=3 402 B12R1.12 COC(CN)C1=CC=C(C=C1)O Z4639315632 [1,1,0,0,0,0|0,0,0]=2 403 B12R1.12 NCC(CO)C1=CC=C(C=C1)Cl Z2130644164 [1,1,0,0,0,0|1,0,0]=3 404 B12R1.12 NCC(CO)C1=CC=C(C=C1)F Z1269131038 [1,1,0,0,0,0|1,0,0]=3 405 B12R1.12 OCC(CO)C1=CC=C(C=C1)Cl Z1198166557 [1,1,0,0,0,0|2,0,0]=4 406 B12R1.12 OCC(CO)C1=CC=C(C=C1)O Z1513899322 [1,1,0,0,0,0|1,0,0]=3 407 B12R1.20 CC(C)C(=O)C1=CC=C(C=C1)O Z1198150713 [1,1,0,0,0,0|0,0,2]=4 408 B12R1.20 CC(C)C(N)C1=CC=C(C=C1)Br Z3211605350 [1,1,0,0,0,0|2,0,0]=4 409 B12R1.20 CC(C)C(N)C1=CC=C(C=C1)Cl Z221528970 [1,1,0,0,0,0|2,0,0]=4 410 B12R1.20 CC(C)C(N)C1=CC=C(C=C1)F Z99598998 [1,1,0,0,0,0|2,0,0]=4 411 B12R1.20 CC(C)C(O)C1=CC=C(C=C1)Cl Z513748660 [1,1,0,0,0,0|1,0,0]=3 412 B12R1.20 CC(C)C(O)C1=NC=C(C=C1)Br Z1649738214 [1,1,0,0,0,0|2,0,0]=4 413 B12R1.20 CC(N)C(O)C1=CC=C(C=C1)Br Z336086694 [1,1,0,0,0,0|1,0,0]=3 414 B12R1.20 CC(N)C(O)C1=CC=C(C=C1)F Z336086696 [1,1,0,0,0,0|1,0,0]=3 415 B12R1.20 CN(C)C(=O)C1=CC=C(C=C1)O Z68247175 [1,1,0,0,0,0|0,0,2]=4 416 B12R1.367 CC(CN)C1=CC(=C(C=C1)Cl)Cl Z4937190097 [1,1,0,0,0,0|2,0,0]=4 417 B12R1.367 CC(CN)C1=CC(=C(C=C1)F)Cl Z4937045907 [1,1,0,0,0,0|2,0,0]=4 418 B12R1.367 CC(CN)C1=CC(=C(C=C1)F)F Z415655058 [1,1,0,0,0,0|2,0,0]=4 419 B12R1.367 CCC(=O)C1=CC(=C(C=C1)O)F Z1255468561 [1,1,0,0,0,0|0,0,2]=4 420 B12R1.367 CCC(=O)C1=CC(=C(C=C1)O)N Z2177031047 [1,1,0,0,0,0|0,0,2]=4 421 B12R1.367 CCC(C)C1=CC(=C(C=C1)O)N Z57441610 [1,1,0,0,0,0|1,0,0]=3 422 B12R1.367 CCC(N)C1=CC(=C(C=C1)Br)F Z5368653956 [1,1,0,0,0,0|2,0,0]=4 423 B12R1.367 CCC(O)C1=CC(=C(C=C1)Cl)Cl Z235447502 [1,1,0,0,0,0|1,0,0]=3 424 B12R1.367 CC[C@@H](O)C1=CC(=C(C=C1)Cl)Cl Z1483951050 [1,1,0,0,0,0|1,0,0]=3 425 B12R1.367 CC[C@H](O)C1=CC(=C(C=C1)C)F Z1255444475 [1,1,0,0,0,0|1,0,0]=3 426 B12R1.367 CNC(C)C1=CC(=C(C=C1)Cl)Cl Z159528194 [1,1,0,0,0,0|2,0,0]=4 427 B12R1.367 NCC(O)C1=CC(=C(C=C1)F)F Z330910382 [1,1,0,0,0,0|1,0,0]=3 428 B12R1.367 OCC(O)C1=CC(=C(C=C1)Cl)F Z1537124099 [1,1,0,0,0,0|2,0,0]=4 429 B12R1.1703 CC(CN)C1=C(C=C(C=C1)F)F Z415655056 [1,1,0,0,0,0|2,0,0]=4 430 B12R1.1703 CCC(N)C1=C(C=C(C=C1)F)F Z335236622 [1,1,0,0,0,0|2,0,0]=4 431 B12R1.1703 CCC(O)C1=C(C=C(C=C1)Cl)F Z1082848670 [1,1,0,0,0,0|1,0,0]=3 432 B12R1.1703 CCC(O)C1=C(C=C(C=C1)F)F Z756131106 [1,1,0,0,0,0|1,0,0]=3 433 B12R1.1703 CNC(C)C1=C(C=C(C=C1)C)C Z239628972 [1,1,0,0,0,0|2,0,0]=4 434 B12R1.1703 CNC(C)C1=C(C=C(C=C1)Cl)Cl Z140561866 [1,1,0,0,0,0|2,0,0]=4 435 B12R1.1703 NCC(O)C1=C(C=C(C=C1)Cl)Cl Z336086576 [1,1,0,0,0,0|1,0,0]=3 436 B12R1.1703 NCC(O)C1=C(C=C(C=C1)F)F Z330910386 [1,1,0,0,0,0|1,0,0]=3 437 B12R1.29 CNCCC(O)C1=CC=C(S1)C Z2583614757 [0,1,0,0,1,0|2,0,0]=4 438 B14R1.954 CNCC(=O)NC1=CC=C(C=C1)OC Z46191142 [0,1,0,0,0,1|0,0,2]=4 439 B14R1.954 CNCC(C)CC1=CC=C(C=C1)OC Z992332056 [0,1,0,0,0,1|1,0,0]=3 440 B14R1.967 CNCC(C)OC1=CC(=C(C=C1)Cl)Cl Z991470458 [0,1,0,0,0,1|2,0,0]=4 441 B14R1.6817 COCC(C)(O)CC1=CC=C(C=C1)Cl Z992444188 [0,1,0,0,0,1|2,0,0]=4 442 B14R1.503 CCCC(CCC)C1=CC=C(C=C1)O Z1322793592 [0,2,0,0,0,0|2,0,0]=4 443 B14R1.508 CCCC(C(=O)O)C1=CC=C(C=C1)Cl Z1269126390 [0,2,0,0,0,0|2,0,0]=4 444 B14R1.1019 CN(C)CC(CN)C1=CC=C(C=C1)Cl Z2065464279 [0,2,0,0,0,0|2,0,0]=4 445 B14R1.926 CCCCC(N)C1=CC=C(C=C1)OC Z291233346 [0,2,0,0,0,0|2,0,0]=4 446 B14R1.132 CC(C)C(N)C(O)C1=CC=C(C=C1)Cl Z2583545468 [0,2,0,0,0,0|2,0,0]=4 447 B14R1.3175 COC1=CC=C(C=C1)C(C)(O)CC#N Z1310718605 [0,2,0,0,0,0|2,0,0]=4 448 B14R1.3175 COC1=CC=C(C=C1)C(C)(O)CC=O Z1269757341 [0,2,0,0,0,0|2,0,0]=4 449 B14R1.683 CC(C)(C)CC(O)C1=CC=C(C=C1)Br Z756121490 [0,2,0,0,0,0|2,0,0]=4 450 B14R1.685 CN(C)CC(=O)C1=CC(=C(C=C1)O)O Z1492781231 [0,2,0,0,0,0|0,0,2]=4 451 B14R1.610 CNCC(O)C1=CC=C(C=C1)[N+](=O)[O-] Z56755858 [0,2,0,0,0,0|0,0,1]=3 452 B12R2.24 BrC1=CC2=C(C=C1)CCCC2 Z299596180 [1,0,0,1,0,0|2,0,0]=4 453 B12R2.24 BrC1=CC2=C(C=C1)CCNC2 Z1117899488 [1,0,0,1,0,0|1,0,0]=3 454 B12R2.24 ClC1=CC2=C(C=C1)CCNC2 Z1716481593 [1,0,0,1,0,0|1,0,0]=3 455 B12R2.24 FC1=CC2=C(C=C1)CCNC2 Z979717316 [1,0,0,1,0,0|1,0,0]=3 456 B12R2.24 NC1=CC2=C(C=C1)CCCC2 Z278204684 [1,0,0,1,0,0|2,0,0]=4 457 B12R2.24 OC1=CC2=C(C=C1)CCCC2 Z57182387 [1,0,0,1,0,0|1,0,0]=3 458 B12R2.24 OC1=CC2=C(C=C1)CCCN2 Z1198176201 [1,0,0,1,0,0|2,0,0]=4 459 B12R2.24 OC1=CC2=C(C=C1)CCNC2 Z382690838 [1,0,0,1,0,0|0,0,0]=2 460 B12R2.24 OC1=CC2=C(C=C1)CCOC2 Z1551961557 [1,0,0,1,0,0|1,0,0]=3 461 B12R2.24 OC1=CC2=C(C=C1)CNCC2 Z3018438111 [1,0,0,1,0,0|2,0,0]=4 462 B12R2.24 OC1=CC2=C(C=C1)COCC2 Z1255359696 [1,0,0,1,0,0|2,0,0]=4 463 B12R2.24 OC1=CC2=C(C=C1)OCCC2 Z1201627010 [1,0,0,1,0,0|2,0,0]=4 464 B12R2.24 OC1=CC2=C(CCCC2)N=C1 Z1255357750 [1,0,0,1,0,0|2,0,0]=4 465 B12R2.132 CN1C=CC2=C1C=C(C=C2)O Z1255447420 [1,0,0,1,0,0|0,0,2]=4 466 B12R2.132 CN1CCC2=C1C=C(C=C2)N Z334596086 [1,0,0,1,0,0|1,0,0]=3 467 B12R2.132 CN1N=NC2=C1C=C(C=C2)O Z4966740129 [1,0,0,1,0,0|2,0,0]=4 468 B12R2.132 NC1CCC2=C1C=C(C=C2)O Z1198165276 [1,0,0,1,0,0|2,0,0]=4 469 B12R2.294 BrC1=CC=C(C=C1)CC2CO2 Z2523466484 [1,0,0,1,0,0|2,0,0]=4 470 B12R2.294 FC1=CC=C(C=C1)CC2CO2 Z1495386285 [1,0,0,1,0,0|2,0,0]=4 471 B12R2.294 OC1=CC=C(C=C1)OC2CC2 Z1255401633 [1,0,0,1,0,0|2,0,0]=4 472 B12R2.2302 ClC1=CC=C(C=C1)C2CNC2 Z3244745362 [1,0,0,1,0,0|1,0,0]=3 473 B12R2.2302 ClC1=CN=C(C=C1)C2CNC2 Z3069013257 [1,0,0,1,0,0|2,0,0]=4 474 B12R2.2302 NC1=CC=C(C=C1)C2CCC2 Z1203579606 [1,0,0,1,0,0|2,0,0]=4 475 B12R2.2302 OC1=CC=C(C=C1)C2CCC2 Z1486032779 [1,0,0,1,0,0|1,0,0]=3 476 B12R2.2 C1=CC(=CC=N1)C2CCNC2 Z2492414323 [1,0,0,1,0,0|2,0,0]=4 477 B12R2.2 C1=CC=C(C=C1)C2=CCNC2 Z1574940564 [1,0,0,1,0,0|1,0,1]=4 478 B12R2.2 C1=CC=C(C=C1)C2CCCN2 Z223138744 [1,0,0,1,0,0|2,0,0]=4 479 B12R2.2 C1=CC=C(C=C1)C2CCNC2 Z926900322 [1,0,0,1,0,0|1,0,0]=3 480 B12R2.2 C1=CN=C(C=C1)C2CCNC2 Z940902744 [1,0,0,1,0,0|2,0,0]=4 481 B12R2.27 CNC1CC1C2=CC=CC=C2 Z1443588579 [1,0,0,1,0,0|1,0,0]=3 482 B12R2.27 CN[C@@H]1C[C@H]1C2=CC=CC=C2 Z3024312938 [1,0,0,1,0,0|1,0,0]=3 483 B12R2.27 OCC1OC1C2=CC=CC=C2 Z1509054538 [1,0,0,1,0,0|2,0,0]=4 484 B12R2.116 CC1(CNC1)C2=CC=CC=C2 Z2143576561 [1,0,0,1,0,0|1,0,0]=3 485 B12R2.116 FC1(CNC1)C2=CC=NC=C2 Z5526531607 [1,0,0,1,0,0|2,0,0]=4 486 B12R2.116 FC1(CNC1)C2=NC=CC=C2 Z5386622085 [1,0,0,1,0,0|2,0,0]=4 487 B12R2.116 OC1(CCC1)C2=CC=CC=C2 Z1198315122 [1,0,0,1,0,0|1,0,0]=3 488 B12R2.116 OC1(CNC1)C2=CN=CC=C2 Z3492926719 [1,0,0,1,0,0|1,0,0]=3 489 B12R2.116 OC1(CNC1)C2=NC=CC=C2 Z3921967489 [1,0,0,1,0,0|1,0,0]=3 490 B12R2.1081 CC1CNCC2=C1C=CC=C2 Z1741982189 [1,0,0,1,0,0|1,0,0]=3 491 B12R2.1081 NC1CCCC2=C1C=CC=C2 Z316170348 [1,0,0,1,0,0|2,0,0]=4 492 B12R2.1081 NC1COCC2=C1C=CC=C2 Z1198178449 [1,0,0,1,0,0|2,0,0]=4 493 B12R2.1081 NC1CSCC2=C1C=CC=C2 Z1695783215 [1,0,0,1,0,0|2,0,0]=4 494 B12R2.1081 OC1CCCC2=C1C=CC=C2 Z56899171 [1,0,0,1,0,0|1,0,0]=3 495 B12R2.1081 OC1CCCC2=C1C=CC=N2 Z1198156585 [1,0,0,1,0,0|2,0,0]=4 496 B12R2.1081 OC1CCCC2=C1C=NC=C2 Z1255398550 [1,0,0,1,0,0|2,0,0]=4 497 B12R2.1081 OC1CCNC2=C1C=CC=C2 Z1198723522 [1,0,0,1,0,0|2,0,0]=4 498 B12R2.1081 OC1CCOC2=C1C=CC=C2 Z335244980 [1,0,0,1,0,0|2,0,0]=4 499 B12R2.1081 OC1CCSC2=C1C=CC=C2 Z57085790 [1,0,0,1,0,0|2,0,0]=4 500 B12R2.1081 OC1COCC2=C1C=CC=C2 Z1255366473 [1,0,0,1,0,0|1,0,0]=3 501 B12R2.1081 OC1CSCC2=C1C=CC=C2 Z445987402 [1,0,0,1,0,0|1,0,0]=3 502 B12R2.1081 O[C@@H]1CCCC2=C1N=CC=C2 Z1255505566 [1,0,0,1,0,0|2,0,0]=4 503 B12R2.1081 O[C@@H]1CCOC2=C1C=CC=C2 Z959151866 [1,0,0,1,0,0|2,0,0]=4 504 B12R2.1081 O[C@@H]1CCSC2=C1C=CC=C2 Z959151622 [1,0,0,1,0,0|2,0,0]=4 505 B12R2.1081 O[C@H]1CCCC2=C1N=CC=C2 Z1216847007 [1,0,0,1,0,0|2,0,0]=4 506 B12R2.1081 O[C@H]1CCOC2=C1C=CC=C2 Z959151868 [1,0,0,1,0,0|2,0,0]=4 507 B12R2.1081 O[C@H]1CCSC2=C1C=CC=C2 Z959151626 [1,0,0,1,0,0|2,0,0]=4 508 B12R2.2028 CC1CC(C2=C1C=CC=C2)N Z1263529672 [1,0,0,1,0,0|2,0,0]=4 509 B12R2.2028 N[C@@H]1C[C@@H](C2=C1C=CC=C2)O Z4591105168 [1,0,0,1,0,0|2,0,0]=4 510 B12R2.2075 CC(C1=CC=CC=C1)C2CO2 Z1020679814 [1,0,0,1,0,0|2,0,0]=4 511 B12R2.2075 NC(C1=CC=CC=C1)C2CC2 Z203239488 [1,0,0,1,0,0|2,0,0]=4 512 B12R2.290 CC1(CC1)C2=CC=C(C=C2)N Z3033960685 [1,0,0,1,0,0|2,0,0]=4 513 B12R2.290 NC1(CC1)C2=CC=C(C=C2)Br Z600428582 [1,0,0,1,0,0|2,0,0]=4 514 B12R2.290 NC1(CC1)C2=CC=C(C=C2)Cl Z381654482 [1,0,0,1,0,0|2,0,0]=4 515 B12R2.290 NC1(CC1)C2=CC=C(C=C2)F Z381654558 [1,0,0,1,0,0|2,0,0]=4 516 B12R2.290 NC1(CC1)C2=CC=C(C=C2)I Z2751942844 [1,0,0,1,0,0|2,0,0]=4 517 B12R2.290 NC1(CC1)C2=CN=C(C=C2)O Z4521497699 [1,0,0,1,0,0|2,0,0]=4 518 B12R2.612 CC1=CC2=C(C=C1)C(CC2)N Z802665938 [1,0,0,1,0,0|2,0,0]=4 519 B12R2.612 CN1CCC2=C1C=CC(=C2)O Z2238129691 [1,0,0,1,0,0|2,0,0]=4 520 B12R2.612 NC1=CC2=C(C=C1)C(CC2)N Z2526714445 [1,0,0,1,0,0|2,0,0]=4 521 B12R2.612 NC1CCC2=C1C=CC(=C2)Br Z802671682 [1,0,0,1,0,0|2,0,0]=4 522 B12R2.612 NC1CCC2=C1C=CC(=C2)Cl Z802665886 [1,0,0,1,0,0|2,0,0]=4 523 B12R2.612 NC1CCC2=C1C=CC(=C2)F Z802671620 [1,0,0,1,0,0|2,0,0]=4 524 B12R2.612 O=C1CCC2=C1C=CC(=C2)O Z1255457932 [1,0,0,1,0,0|0,0,2]=4 525 B12R2.612 O=C1NCC2=C1C=CC(=C2)O Z1198272536 [1,0,0,1,0,0|0,0,2]=4 526 B12R2.612 OC1CCC2=C1C=CC(=C2)Br Z756050350 [1,0,0,1,0,0|1,0,0]=3 527 B12R2.612 OC1CCC2=C1C=CC(=C2)F Z1198318486 [1,0,0,1,0,0|1,0,0]=3 528 B12R2.612 OC1CCC2=C1N=CC(=C2)Br Z1269195934 [1,0,0,1,0,0|2,0,0]=4 529 B12R2.612 OC1COC2=C1C=CC(=C2)Br Z1362940613 [1,0,0,1,0,0|2,0,0]=4 530 B12R2.612 OC1COC2=C1C=CC(=C2)Cl Z1362956560 [1,0,0,1,0,0|2,0,0]=4 531 B12R2.612 OC1CSC2=C1C=CC(=C2)Br Z1862026249 [1,0,0,1,0,0|2,0,0]=4 532 B12R2.612 O[C@@H]1CCC2=C1C=CC(=C2)Br Z1269146008 [1,0,0,1,0,0|1,0,0]=3 533 B12R2.612 O[C@@H]1CCC2=C1C=CC(=C2)Cl Z959151848 [1,0,0,1,0,0|1,0,0]=3 534 B12R2.612 O[C@@H]1CCC2=C1C=CC(=C2)F Z959151860 [1,0,0,1,0,0|1,0,0]=3 535 B12R2.612 O[C@H]1CCC2=C1C=CC(=C2)Cl Z959151850 [1,0,0,1,0,0|1,0,0]=3 536 B12R2.612 O[C@H]1CCC2=C1C=CC(=C2)F Z959151856 [1,0,0,1,0,0|1,0,0]=3 537 B14R2.43 CNC[C@@H]1C[C@H]1C2=CC=C(C=C2)C Z4493918600 [0,0,0,1,0,1|2,0,0]=4 538 B14R2.72 BrC1=CC=C(C=C1)CC2CCNC2 Z2213893385 [0,0,0,1,0,1|2,0,0]=4 539 B14R2.72 FC1=CC=C(C=C1)CC2CCNC2 Z1198169837 [0,0,0,1,0,1|2,0,0]=4 540 B14R2.72 FC1=CC=C(C=C1)O[C@@H]2CCNC2 Z2768167886 [0,0,0,1,0,1|2,0,0]=4 541 B14R2.72 OC1=CC=C(C=C1)CC2CCNC2 Z4186254010 [0,0,0,1,0,1|1,0,0]=3 542 B14R2.72 OC1=CC=C(C=C1)OC2CCCC2 Z381414686 [0,0,0,1,0,1|2,0,0]=4 543 B14R2.926 CC1=CC=C(C=C1)C2CCCC2O Z992949426 [0,0,0,1,0,1|2,0,0]=4 544 B14R2.926 OC1CCCC1C2=CC=C(C=C2)F Z992949410 [0,0,0,1,0,1|2,0,0]=4 545 B14R2.926 O[C@@H]1CCC[C@H]1C2=CC=C(C=C2)Cl Z2235790511 [0,0,0,1,0,1|2,0,0]=4 546 B14R2.949 CC1=CC=C(C=C1)CC(O)C2CC2 Z513751600 [0,0,0,1,0,1|2,0,0]=4 547 B14R2.949 OC(CC1=CC=C(C=C1)Br)C2CC2 Z513751604 [0,0,0,1,0,1|2,0,0]=4 548 B14R2.20 CC1CC(CN1)C2=CC=C(C=C2)Br Z1217227030 [0,1,0,1,0,0|2,0,0]=4 549 B14R2.20 CC1CC(CN1)C2=CC=C(C=C2)F Z1217227097 [0,1,0,1,0,0|2,0,0]=4 550 B14R2.20 O=C1COC(C1)C2=CC=C(C=C2)Br Z2489377578 [0,1,0,1,0,0|2,0,0]=4 551 B14R2.68 BrC1=CC=C(C=C1)C2CCNCC2 Z1741981589 [0,1,0,1,0,0|2,0,0]=4 552 B14R2.68 BrC1=CC=C(C=C1)C2CNCCO2 Z397586786 [0,1,0,1,0,0|1,0,0]=3 553 B14R2.68 BrC1=CC=C(C=C1)C2OCCCO2 Z1269189023 [0,1,0,1,0,0|2,0,0]=4 554 B14R2.68 CC1=CC=C(C=C1)C2CCCNC2 Z1160899717 [0,1,0,1,0,0|2,0,0]=4 555 B14R2.68 CC1=CC=C(C=C1)C2CCNCC2 Z3036772178 [0,1,0,1,0,0|2,0,0]=4 556 B14R2.68 ClC1=CC=C(C=C1)C2CCNCC2 Z1728629233 [0,1,0,1,0,0|2,0,0]=4 557 B14R2.68 ClC1=CC=C(C=C1)C2CNCCN2 Z1198163929 [0,1,0,1,0,0|2,0,0]=4 558 B14R2.68 ClC1=CC=C(C=C1)C2CNCCO2 Z234894847 [0,1,0,1,0,0|1,0,0]=3 559 B14R2.68 FC1=CC=C(C=C1)C2CCNCC2 Z1357774234 [0,1,0,1,0,0|2,0,0]=4 560 B14R2.68 FC1=CC=C(C=C1)C2CNCCN2 Z1198166224 [0,1,0,1,0,0|2,0,0]=4 561 B14R2.68 FC1=CC=C(C=C1)C2CNCCO2 Z299600002 [0,1,0,1,0,0|1,0,0]=3 562 B14R2.68 NC1=CC=C(C=C1)C2CNCCO2 Z1278927036 [0,1,0,1,0,0|1,0,0]=3 563 B14R2.68 NC1=CC=C(C=C1)C2COCCO2 Z4052749825 [0,1,0,1,0,0|2,0,0]=4 564 B14R2.68 OC1=CC=C(C=C1)C2=CCNCC2 Z164708534 [0,1,0,1,0,0|1,0,1]=4 565 B14R2.68 OC1=CC=C(C=C1)C2CCCCC2 Z104493638 [0,1,0,1,0,0|2,0,0]=4 566 B14R2.68 OC1=CC=C(C=C1)C2CCCCN2 Z2733007684 [0,1,0,1,0,0|2,0,0]=4 567 B14R2.68 OC1=CC=C(C=C1)C2CCCNC2 Z3327154941 [0,1,0,1,0,0|1,0,0]=3 568 B14R2.68 OC1=CC=C(C=C1)C2CCOCC2 Z1486003449 [0,1,0,1,0,0|2,0,0]=4 569 B14R2.68 OC1=CC=C(C=C1)C2CNCCN2 Z2754867746 [0,1,0,1,0,0|1,0,0]=3 570 B14R2.68 OC1=CC=C(C=C1)C2SCCCS2 Z839133394 [0,1,0,1,0,0|1,1,0]=4 571 B14R2.68 OC1=CC=C(C=C1)N2CCNCC2 Z56899148 [0,1,0,1,0,0|2,0,0]=4 572 B14R2.826 CNCC1(CC1)C2=CC=C(C=C2)Br Z1255523351 [0,1,0,1,0,0|2,0,0]=4 573 B14R2.933 CC(NC1CC1)C2=CC=C(C=C2)O Z239624718 [0,1,0,1,0,0|2,0,0]=4 574 B14R2.4398 CC1(CCNC1)C2=CC=C(C=C2)Cl Z3302946329 [0,1,0,1,0,0|2,0,0]=4 575 B14R2.4398 CC1=CC=C(C=C1)C2(CCNC2)C Z979421390 [0,1,0,1,0,0|2,0,0]=4 576 B14R2.4398 CC1=CC=C(C=C1)C2(CCNC2)O Z1696844436 [0,1,0,1,0,0|1,0,0]=3 577 B14R2.4398 OC1(CCNC1)C2=CC=C(C=C2)Br Z2313546921 [0,1,0,1,0,0|1,0,0]=3 578 B14R2.8719 OC1CCCOC2=C1C=CC(=C2)Br Z445987300 [0,1,0,1,0,0|2,0,0]=4 579 B14R2.10606 OC(C1=CC=C(C=C1)Br)C2CCC2 Z756121588 [0,1,0,1,0,0|2,0,0]=4 580 B14R2.4640 CC1(CNCC2=C1C=CC(=C2)Br)C Z3235905111 [0,1,0,1,0,0|2,0,0]=4 581 B14R2.4640 CC1(CNCC2=C1C=CC(=C2)F)C Z3235905250 [0,1,0,1,0,0|2,0,0]=4 582 B14R2.4640 CC1=CC2=C(C=C1)C(CNC2)(C)C Z1147596178 [0,1,0,1,0,0|2,0,0]=4 583 B14R2.20678 N[C@H]1C[C@](C1)(O)C2=CC=C(C=C2)F Z4881796038 [0,1,0,1,0,0|2,0,0]=4 584 B14R2.1 CCC1=CC=C(C=C1)C2CCNC2 Z2211231445 [0,1,0,1,0,0|2,0,0]=4 585 B14R2.1 COC1=CC=C(C=C1)C2=CCNC2 Z1262616902 [0,1,0,1,0,0|1,0,1]=4 586 B14R2.1 COC1=CC=C(C=C1)C2CCNC2 Z940902820 [0,1,0,1,0,0|1,0,0]=3 587 B14R2.1 COC1=CN=C(C=C1)C2CCNC2 Z2235810144 [0,1,0,1,0,0|2,0,0]=4 588 B14R2.1 OCC1=CC=C(C=C1)C2CCCC2 Z1255426404 [0,1,0,1,0,0|2,0,0]=4 589 B14R2.326 COC1=NC=C(C=C1)C2(CNC2)O Z5185819920 [0,1,0,1,0,0|1,0,0]=3 590 B14R2.329 COC1=CC=C(C=C1)C(N)C2CC2 Z169852196 [0,1,0,1,0,0|2,0,0]=4 591 B14R2.1801 COC1=CC2=C(C=C1)C(CCC2)N Z285186056 [0,1,0,1,0,0|2,0,0]=4 592 B14R2.1801 COC1=CC2=C(C=C1)C(CCC2)O Z228586232 [0,1,0,1,0,0|1,0,0]=3 593 B14R2.70 OC1=C(C=C(C=C1)C2CCNC2)O Z4870574930 [0,1,0,1,0,0|1,0,0]=3 594 B14R2.739 CC1=CC(=C(C=C1)C2CCNC2)C Z1945696020 [0,1,0,1,0,0|2,0,0]=4 595 B10R1.14 CC1=CC=C(O1)C(O)CN Z363991860 [1,0,0,0,1,0|2,0,0]=4 596 B10R1.14 NCC(O)C1=CC=C(S1)Cl Z838891514 [1,0,0,0,1,0|2,0,0]=4 597 B12R1.32 CCCC(C)NC1=CC=CC=C1 Z334878280 [1,0,0,0,0,1|2,0,0]=4 598 B12R1.32 CCCC(N)CC1=CC=CC=C1 Z513795750 [1,0,0,0,0,1|2,0,0]=4 599 B12R1.32 CNC/C(=C/C1=CC=CC=C1)/C Z1137726270 [1,0,0,0,0,1|1,0,1]=4 600 B12R1.32 CNCC(=O)NC1=CC=CC=C1 Z380844554 [1,0,0,0,0,1|0,0,2]=4 601 B12R1.32 CNCC(N)CC1=CC=CC=C1 Z756920442 [1,0,0,0,0,1|1,0,0]=3 602 B12R1.32 COCC(N)CC1=CC=CC=C1 Z825742276 [1,0,0,0,0,1|2,0,0]=4 603 B14R1.502 COC[C@@H](O)COC1=CC=C(C=C1)I Z1607780678 [0,0,0,0,0,2|2,0,0]=4