0 B12R1.49 CC(C#N)SC1=CC=C(C=C1)Br Z18744283 [0,0,0,0,0,0|4,0,0]=4 1 B12R1.49 CC(C#N)SC1=CC=C(C=C1)Cl Z19728690 [0,0,0,0,0,0|4,0,0]=4 2 B12R1.49 CC(C#N)SC1=CC=C(C=C1)F Z16034530 [0,0,0,0,0,0|4,0,0]=4 3 B12R1.49 CC(CN)OC1=CC=C(C=C1)Br Z844632490 [0,0,0,0,0,0|4,0,0]=4 4 B12R1.49 CC(CN)OC1=CC=C(C=C1)Cl Z844632498 [0,0,0,0,0,0|4,0,0]=4 5 B12R1.49 CC(CN)OC1=CC=C(C=C1)F Z274779140 [0,0,0,0,0,0|4,0,0]=4 6 B12R1.49 CC(CN)SC1=CC=C(C=C1)Br Z1266854950 [0,0,0,0,0,0|4,0,0]=4 7 B12R1.49 CC1=CC=C(C=C1)CC(=O)NO Z90728587 [0,0,0,0,0,0|3,0,1]=4 8 B12R1.49 CC1=CC=C(C=C1)CC(Br)C#N Z85923462 [0,0,0,0,0,0|4,0,0]=4 9 B12R1.49 CC1=CC=C(C=C1)CC(Cl)C=O Z982126370 [0,0,0,0,0,0|4,0,0]=4 10 B12R1.49 CC1=CC=C(C=C1)CC(N)CO Z1800620539 [0,0,0,0,0,0|4,0,0]=4 11 B12R1.49 CC1=CC=C(C=C1)OC(C)CN Z844632044 [0,0,0,0,0,0|4,0,0]=4 12 B12R1.49 CC1=CC=C(C=C1)SC(C)C#N Z45224430 [0,0,0,0,0,0|4,0,0]=4 13 B12R1.49 CCC(=O)CC1=CC=C(C=C1)Br Z513733694 [0,0,0,0,0,0|3,0,1]=4 14 B12R1.49 CCC(=O)CC1=CC=C(C=C1)C Z513735300 [0,0,0,0,0,0|3,0,1]=4 15 B12R1.49 CCC(=O)NC1=CC=C(C=C1)O Z223656304 [0,0,0,0,0,0|3,0,1]=4 16 B12R1.49 CCC(C)OC1=CC=C(C=C1)Br Z336342658 [0,0,0,0,0,0|3,0,0]=3 17 B12R1.49 CCC(C)OC1=CC=C(C=C1)N Z274541874 [0,0,0,0,0,0|3,0,0]=3 18 B12R1.49 CCC(C)OC1=CC=C(C=C1)O Z381414944 [0,0,0,0,0,0|2,0,0]=2 19 B12R1.49 CCC(N)CC1=CC=C(C=C1)Br Z2582143601 [0,0,0,0,0,0|3,0,0]=3 20 B12R1.49 CCC(N)CC1=CC=C(C=C1)C Z431980102 [0,0,0,0,0,0|3,0,0]=3 21 B12R1.49 CCC(N)CC1=CC=C(C=C1)Cl Z2044769785 [0,0,0,0,0,0|3,0,0]=3 22 B12R1.49 CCC(N)CC1=CC=C(C=C1)F Z2492774579 [0,0,0,0,0,0|3,0,0]=3 23 B12R1.49 CCC(N)CC1=CC=C(C=C1)O Z1815149210 [0,0,0,0,0,0|2,0,0]=2 24 B12R1.49 CCC(O)CC1=CC=C(C=C1)C Z513751166 [0,0,0,0,0,0|3,0,0]=3 25 B12R1.49 CNC(=O)CC1=CC=C(C=C1)Br Z30272406 [0,0,0,0,0,0|2,0,1]=3 26 B12R1.49 CNC(=O)CC1=CC=C(C=C1)N Z239124750 [0,0,0,0,0,0|2,0,1]=3 27 B12R1.49 CNC(=O)CC1=CC=C(C=C1)O Z135505392 [0,0,0,0,0,0|1,0,1]=2 28 B12R1.49 CNC(=O)NC1=CC=C(C=C1)Cl Z55293750 [0,0,0,0,0,0|3,0,1]=4 29 B12R1.49 CNC(=O)NC1=CC=C(C=C1)F Z55293762 [0,0,0,0,0,0|3,0,1]=4 30 B12R1.49 CNC(=O)NC1=CC=C(C=C1)N Z246671880 [0,0,0,0,0,0|3,0,1]=4 31 B12R1.49 COC(=O)CC1=CC=C(C=C1)Br Z18830099 [0,0,0,0,0,0|3,0,1]=4 32 B12R1.49 COC(=O)CC1=CC=C(C=C1)Cl Z18425668 [0,0,0,0,0,0|3,0,1]=4 33 B12R1.49 COC(=O)CC1=CC=C(C=C1)N Z285139238 [0,0,0,0,0,0|3,0,1]=4 34 B12R1.49 COC(=O)NC1=CC=C(C=C1)O Z335810072 [0,0,0,0,0,0|3,0,1]=4 35 B12R1.49 C[C@@H](CN)OC1=CC=C(C=C1)Cl Z1860991587 [0,0,0,0,0,0|4,0,0]=4 36 B12R1.49 NC(CO)CC1=CC=C(C=C1)Cl Z3244488892 [0,0,0,0,0,0|4,0,0]=4 37 B12R1.49 NC(CO)CC1=CC=C(C=C1)F Z1849004242 [0,0,0,0,0,0|4,0,0]=4 38 B12R1.49 NC(CO)CC1=CC=C(C=C1)I Z1263636488 [0,0,0,0,0,0|4,0,0]=4 39 B12R1.49 NC1=CC=C(C=C1)CC(F)CO Z4580450313 [0,0,0,0,0,0|4,0,0]=4 40 B12R1.49 NCC(O)CC1=CC=C(C=C1)Br Z4990293859 [0,0,0,0,0,0|4,0,0]=4 41 B12R1.49 NNC(=O)CC1=CC=C(C=C1)Cl Z56346881 [0,0,0,0,0,0|3,0,1]=4 42 B12R1.49 NNC(=O)CC1=CC=C(C=C1)F Z56347387 [0,0,0,0,0,0|3,0,1]=4 43 B12R1.49 N[C@@H](CO)CC1=CC=C(C=C1)O Z295456854 [0,0,0,0,0,0|3,0,0]=3 44 B12R1.49 N[C@H](CO)CC1=CC=C(C=C1)O Z203038576 [0,0,0,0,0,0|3,0,0]=3 45 B12R1.49 O=C(CC1=CC=C(C=C1)Br)NO Z59182179 [0,0,0,0,0,0|3,0,1]=4 46 B12R1.49 O=C(CC1=CC=C(C=C1)Cl)NO Z59182084 [0,0,0,0,0,0|3,0,1]=4 47 B12R1.49 O=C(CC1=CC=C(C=C1)F)NO Z59182031 [0,0,0,0,0,0|3,0,1]=4 48 B12R1.49 O=C(CC1=CC=C(C=C1)O)NO Z135512374 [0,0,0,0,0,0|2,0,1]=3 49 B11R1.1 C=CCOC1=CC=C(C=C1)O Z381414818 [1,0,0,0,0,0|2,0,1]=4 50 B11R1.1 CC1=CC=C(C=C1)CCCN Z4639316723 [1,0,0,0,0,0|3,0,0]=4 51 B11R1.1 CCCCC1=CC=C(C=C1)N Z104475500 [1,0,0,0,0,0|2,0,0]=3 52 B11R1.1 CCCNC1=CC=C(C=C1)Cl Z1266933829 [1,0,0,0,0,0|3,0,0]=4 53 B11R1.1 CCCOC1=CC=C(C=C1)N Z239604724 [1,0,0,0,0,0|3,0,0]=4 54 B11R1.1 CCNCC1=CC=C(C=C1)F Z3244655509 [1,0,0,0,0,0|3,0,0]=4 55 B11R1.1 CCOCC1=CC=C(C=C1)Br Z823854370 [1,0,0,0,0,0|3,0,0]=4 56 B11R1.1 CCOCC1=CC=C(C=C1)N Z240084570 [1,0,0,0,0,0|3,0,0]=4 57 B11R1.1 CCSCC1=CC=C(C=C1)N Z332378208 [1,0,0,0,0,0|3,0,0]=4 58 B11R1.1 CNCCC1=CC=C(C=C1)Br Z385447024 [1,0,0,0,0,0|1,0,0]=2 59 B11R1.1 CNCCC1=CC=C(C=C1)C Z5115849578 [1,0,0,0,0,0|1,0,0]=2 60 B11R1.1 CNCCC1=CC=C(C=C1)Cl Z1623872266 [1,0,0,0,0,0|1,0,0]=2 61 B11R1.1 CNCCC1=CC=C(C=C1)F Z138454998 [1,0,0,0,0,0|1,0,0]=2 62 B11R1.1 CNCCC1=NC=C(C=N1)Br Z3023504208 [1,0,0,0,0,0|3,0,0]=4 63 B11R1.1 COCCC1=CC=C(C=C1)Br Z299596190 [1,0,0,0,0,0|2,0,0]=3 64 B11R1.1 COCCC1=CC=C(C=C1)Cl Z1470894103 [1,0,0,0,0,0|2,0,0]=3 65 B11R1.1 COCCC1=CC=C(C=C1)O Z104485614 [1,0,0,0,0,0|1,0,0]=2 66 B11R1.1 COCOC1=CC=C(C=C1)N Z1259226853 [1,0,0,0,0,0|3,0,0]=4 67 B11R1.1 CSCCC1=CC=C(C=C1)N Z732207426 [1,0,0,0,0,0|2,0,0]=3 68 B11R1.1 N#CCCC1=CC=C(C=C1)N Z4750298565 [1,0,0,0,0,0|3,0,0]=4 69 B11R1.1 NCCCC1=CC=C(C=C1)Br Z3980240042 [1,0,0,0,0,0|3,0,0]=4 70 B11R1.1 NCCCC1=CC=C(C=C1)Cl Z992716848 [1,0,0,0,0,0|3,0,0]=4 71 B11R1.1 NCCCC1=CC=C(C=C1)F Z3244753845 [1,0,0,0,0,0|3,0,0]=4 72 B11R1.1 NCCCC1=CC=C(C=C1)N Z5453008768 [1,0,0,0,0,0|3,0,0]=4 73 B11R1.1 NCCCC1=CC=C(C=C1)O Z1270210797 [1,0,0,0,0,0|2,0,0]=3 74 B11R1.1 NCCNC1=CC=C(C=C1)O Z3386315806 [1,0,0,0,0,0|3,0,0]=4 75 B11R1.1 O=CCCC1=CC=C(C=C1)Br Z993017756 [1,0,0,0,0,0|3,0,0]=4 76 B11R1.1 O=CCCC1=CC=C(C=C1)Cl Z993017742 [1,0,0,0,0,0|3,0,0]=4 77 B11R1.1 O=CCCC1=CC=C(C=C1)F Z993017748 [1,0,0,0,0,0|3,0,0]=4 78 B11R1.1 OCCCC1=CC=C(C=C1)F Z992949550 [1,0,0,0,0,0|3,0,0]=4 79 B11R1.1 OCCOC1=CC=C(C=C1)O Z381414946 [1,0,0,0,0,0|3,0,0]=4 80 B11R1.20 CC(=O)CC1=CC=C(C=C1)F Z329711590 [1,0,0,0,0,0|2,0,1]=4 81 B11R1.20 CC(=O)NC1=CC=C(C=C1)O Z56946051 [1,0,0,0,0,0|2,0,1]=4 82 B11R1.20 CC(=O)OC1=CC=C(C=C1)O Z1198155166 [1,0,0,0,0,0|2,0,1]=4 83 B11R1.20 CC(C)CC1=CC=C(C=C1)N Z1463350056 [1,0,0,0,0,0|1,0,0]=2 84 B11R1.20 CC(C)CC1=NC=C(C=C1)Br Z1269179231 [1,0,0,0,0,0|2,0,0]=3 85 B11R1.20 CC(C)CC1=NC=C(C=N1)N Z381402572 [1,0,0,0,0,0|3,0,0]=4 86 B11R1.20 CC(C)NC1=CC=C(C=C1)Cl Z993967140 [1,0,0,0,0,0|2,0,0]=3 87 B11R1.20 CC(C)NC1=CC=C(C=C1)F Z266481896 [1,0,0,0,0,0|2,0,0]=3 88 B11R1.20 CC(C)NC1=NC=C(C=C1)Br Z359297038 [1,0,0,0,0,0|3,0,0]=4 89 B11R1.20 CC(C)OC1=CC=C(C=C1)Br Z53834735 [1,0,0,0,0,0|2,0,0]=3 90 B11R1.20 CC(C)OC1=CC=C(C=C1)I Z54181200 [1,0,0,0,0,0|2,0,0]=3 91 B11R1.20 CC(C)OC1=NC=C(C=C1)Br Z808608768 [1,0,0,0,0,0|3,0,0]=4 92 B11R1.20 CC(N)CC1=CC=C(C=C1)O Z57102382 [1,0,0,0,0,0|0,0,0]=1 93 B11R1.20 CC1=CC=C(C=C1)CC(=N)N Z3244909870 [1,0,0,0,0,0|2,0,1]=4 94 B11R1.20 CC1=CC=C(C=C1)NC(C)C Z992717194 [1,0,0,0,0,0|2,0,0]=3 95 B11R1.20 CC1=CC=C(C=C1)OC(C)C Z53834229 [1,0,0,0,0,0|2,0,0]=3 96 B11R1.20 CN(C)CC1=CC=C(C=C1)N Z228584348 [1,0,0,0,0,0|2,0,0]=3 97 B11R1.20 CN(C)CC1=CN=C(C=C1)N Z1723849137 [1,0,0,0,0,0|3,0,0]=4 98 B11R1.20 N=C(N)CC1=CC=C(C=C1)Br Z1518844582 [1,0,0,0,0,0|2,0,1]=4 99 B11R1.20 N=C(N)CC1=CC=C(C=C1)F Z415636754 [1,0,0,0,0,0|2,0,1]=4 100 B11R1.20 NC(=O)CC1=CC=C(C=C1)Br Z33546958 [1,0,0,0,0,0|2,0,1]=4 101 B11R1.20 NC(=O)CC1=CC=C(C=C1)Cl Z33546677 [1,0,0,0,0,0|2,0,1]=4 102 B11R1.20 NC(=O)CC1=CC=C(C=C1)F Z33546755 [1,0,0,0,0,0|2,0,1]=4 103 B11R1.20 NC(=O)CC1=CC=C(C=C1)N Z234895133 [1,0,0,0,0,0|2,0,1]=4 104 B11R1.20 NC(=S)CC1=CC=C(C=C1)F Z285131734 [1,0,0,0,0,0|2,0,1]=4 105 B11R1.40 C#CC(N)CC1=CC=CC=C1 Z4167757719 [1,0,0,0,0,0|2,0,1]=4 106 B11R1.40 CC(C#N)OC1=CC=CC=C1 Z54191740 [1,0,0,0,0,0|3,0,0]=4 107 B11R1.40 CC(C=O)CC1=CC=CC=C1 Z1198150055 [1,0,0,0,0,0|2,0,0]=3 108 B11R1.40 CC(CC1=CC=CC=C1)NN Z3033545382 [1,0,0,0,0,0|1,0,0]=2 109 B11R1.40 CC(CN)NC1=CC=CC=C1 Z1198235985 [1,0,0,0,0,0|3,0,0]=4 110 B11R1.40 CC(CN)OC1=CC=CC=C1 Z1245635737 [1,0,0,0,0,0|3,0,0]=4 111 B11R1.40 CC(CN)SC1=CC=CC=C1 Z844632804 [1,0,0,0,0,0|3,0,0]=4 112 B11R1.40 CCC(N)CC1=CC=CC=C1 Z431980016 [1,0,0,0,0,0|2,0,0]=3 113 B11R1.40 CCC(O)CC1=CC=CC=C1 Z513749284 [1,0,0,0,0,0|2,0,0]=3 114 B11R1.40 CCC(O)CC1=CC=NC=C1 Z992409862 [1,0,0,0,0,0|3,0,0]=4 115 B11R1.40 CC[C@@H](O)CC1=CC=CC=C1 Z1262397064 [1,0,0,0,0,0|2,0,0]=3 116 B11R1.40 CC[C@H](O)CC1=CC=CC=C1 Z1262397065 [1,0,0,0,0,0|2,0,0]=3 117 B11R1.40 CN(C#N)CC1=CC=CC=C1 Z1255506511 [1,0,0,0,0,0|3,0,0]=4 118 B11R1.40 CN(CC1=CC=CC=C1)N=O Z1198147495 [1,0,0,0,0,0|2,0,1]=4 119 B11R1.40 CNC(=O)NC1=CC=CC=C1 Z55293754 [1,0,0,0,0,0|2,0,1]=4 120 B11R1.40 CNC(=S)NC1=CC=CC=C1 Z45796176 [1,0,0,0,0,0|2,0,1]=4 121 B11R1.40 NC(CO)CC1=CC=CC=C1 Z234898263 [1,0,0,0,0,0|3,0,0]=4 122 B11R1.40 NCC(F)CC1=CC=CC=C1 Z2740416678 [1,0,0,0,0,0|3,0,0]=4 123 B11R1.40 NCC(N)CC1=CC=CC=C1 Z425861056 [1,0,0,0,0,0|3,0,0]=4 124 B11R1.40 NCC(O)CC1=CC=CC=C1 Z419084966 [1,0,0,0,0,0|3,0,0]=4 125 B11R1.40 NNC(=O)CC1=CC=CC=C1 Z56867310 [1,0,0,0,0,0|2,0,1]=4 126 B11R1.40 N[C@@H](CO)CC1=CC=CC=C1 Z1157651018 [1,0,0,0,0,0|3,0,0]=4 127 B11R1.40 N[C@H](CO)CC1=CC=CC=C1 Z1741982891 [1,0,0,0,0,0|3,0,0]=4 128 B13R1.5 CCC(C)OC1=CC=C(C=C1)C#N Z57900078 [0,1,0,0,0,0|3,0,0]=4 129 B13R1.5 CNC(=O)NC1=CC=C(C=C1)OC Z104757974 [0,1,0,0,0,0|2,0,1]=4 130 B13R1.5 COC1=CC=C(C=C1)CC(=O)NN Z56347401 [0,1,0,0,0,0|2,0,1]=4 131 B13R1.5 COC1=CC=C(C=C1)CC(=O)NO Z59182049 [0,1,0,0,0,0|2,0,1]=4 132 B13R1.5 COC1=CC=C(C=C1)CC(C)CN Z992310982 [0,1,0,0,0,0|2,0,0]=3 133 B13R1.5 COC1=CC=C(C=C1)OC(C)CN Z844632002 [0,1,0,0,0,0|3,0,0]=4 134 B13R1.19 CCNC(=O)CC1=CC=C(C=C1)F Z32024691 [0,1,0,0,0,0|2,0,1]=4 135 B13R1.19 CCNC(=O)CC1=CC=C(C=C1)N Z239124818 [0,1,0,0,0,0|2,0,1]=4 136 B13R1.19 CNCC(=O)NC1=CC=C(C=C1)O Z1162448845 [0,1,0,0,0,0|2,0,1]=4 137 B13R1.21 CCC(C)C(N)C1=CC=C(C=C1)Cl Z291232760 [0,1,0,0,0,0|2,0,0]=3 138 B13R1.21 CNC(=O)C(C)C1=CC=C(C=C1)F Z3046025591 [0,1,0,0,0,0|2,0,1]=4 139 B13R1.21 CNC(=O)C(N)C1=CC=C(C=C1)C Z1967532451 [0,1,0,0,0,0|2,0,1]=4 140 B13R1.21 CNC(C)C(=O)C1=NC=C(C=C1)C Z5011280904 [0,1,0,0,0,0|2,0,1]=4 141 B13R1.21 CNC(C)C(C)C1=CC=C(C=C1)Cl Z1262590480 [0,1,0,0,0,0|1,0,0]=2 142 B13R1.133 CC(C)C(N)CC1=CC=C(C=C1)Cl Z513796444 [0,1,0,0,0,0|3,0,0]=4 143 B13R1.133 CC(C)C(N)CC1=CC=C(C=C1)F Z513796714 [0,1,0,0,0,0|3,0,0]=4 144 B13R1.133 CC(C)C(O)CC1=CC=C(C=C1)F Z513750262 [0,1,0,0,0,0|3,0,0]=4 145 B13R1.133 CC(CC1=CC=C(C=C1)Br)C(=O)N Z1551999220 [0,1,0,0,0,0|3,0,0]=4 146 B13R1.133 CC(CC1=CC=C(C=C1)Br)C(=O)O Z513659390 [0,1,0,0,0,0|3,0,0]=4 147 B13R1.133 CC(CC1=CC=C(C=C1)Cl)C(=O)O Z513659166 [0,1,0,0,0,0|3,0,0]=4 148 B13R1.133 CC(CC1=CC=C(C=C1)F)C(=O)O Z513658938 [0,1,0,0,0,0|3,0,0]=4 149 B13R1.133 CC(CC1=CC=C(C=C1)N)C(=O)O Z1262515083 [0,1,0,0,0,0|3,0,0]=4 150 B13R1.133 CC(OC1=CC=C(C=C1)O)C(=O)N Z381414584 [0,1,0,0,0,0|3,0,0]=4 151 B13R1.133 CC1=CC=C(C=C1)CC(C)C(=O)O Z513658700 [0,1,0,0,0,0|3,0,0]=4 152 B13R1.133 CN(C)C(=O)CC1=CC=C(C=C1)Br Z32014854 [0,1,0,0,0,0|2,0,1]=4 153 B13R1.133 CN(C)C(=O)CC1=CC=C(C=C1)Cl Z32014573 [0,1,0,0,0,0|2,0,1]=4 154 B13R1.133 CN(C)C(=O)CC1=CC=C(C=C1)F Z32014651 [0,1,0,0,0,0|2,0,1]=4 155 B13R1.133 CN(C)C(=O)CC1=CC=C(C=C1)N Z270758276 [0,1,0,0,0,0|2,0,1]=4 156 B13R1.133 CN(C)C(=O)NC1=CC=C(C=C1)O Z274555212 [0,1,0,0,0,0|2,0,1]=4 157 B13R1.133 NC(=O)[C@H](N)CC1=CC=C(C=C1)O Z3211890270 [0,1,0,0,0,0|3,0,0]=4 158 B13R1.133 NC(CC1=CC=C(C=C1)O)C(=O)O Z57127380 [0,1,0,0,0,0|3,0,0]=4 159 B13R1.133 N[C@@H](CC1=CC=C(C=C1)O)C(=O)O Z756440046 [0,1,0,0,0,0|3,0,0]=4 160 B13R1.133 N[C@H](CC1=CC=C(C=C1)O)C(=O)O Z969739284 [0,1,0,0,0,0|3,0,0]=4 161 B13R1.145 CCC(CC1=CC=C(C=C1)C)NC Z513804920 [0,1,0,0,0,0|1,0,0]=2 162 B13R1.145 N#CC(CO)CC1=CC=C(C=C1)F Z851820868 [0,1,0,0,0,0|3,0,0]=4 163 B13R1.145 NCC(CO)CC1=CC=C(C=C1)Br Z1860991556 [0,1,0,0,0,0|3,0,0]=4 164 B13R1.145 NCC(CO)CC1=CC=C(C=C1)Cl Z1324055647 [0,1,0,0,0,0|3,0,0]=4 165 B13R1.145 NCC(CO)CC1=CC=C(C=C1)F Z285055048 [0,1,0,0,0,0|3,0,0]=4 166 B13R1.249 CC(N)(CO)CC1=CC=C(C=C1)Br Z2732858926 [0,1,0,0,0,0|3,0,0]=4 167 B13R1.249 CC(N)(CO)CC1=CC=C(C=C1)Cl Z2738738577 [0,1,0,0,0,0|3,0,0]=4 168 B13R1.249 CC(N)(CO)CC1=CC=C(C=C1)F Z2732860433 [0,1,0,0,0,0|3,0,0]=4 169 B13R1.249 CC1=CC=C(C=C1)CC(C)(N)CO Z5060721709 [0,1,0,0,0,0|3,0,0]=4 170 B13R1.2679 CCC(N)CC1=C(C=C(C=C1)Cl)Cl Z431980076 [0,1,0,0,0,0|3,0,0]=4 171 B13R1.2679 CNC(=O)CC1=C(C=C(C=C1)Cl)Cl Z30272329 [0,1,0,0,0,0|2,0,1]=4 172 B13R1.2879 CCC(C)SC1=CC(=C(C=C1)N)C Z419012516 [0,1,0,0,0,0|3,0,0]=4 173 B13R1.2879 COC(=O)CC1=CC(=C(C=C1)O)F Z1255453601 [0,1,0,0,0,0|2,0,1]=4 174 B13R1.2879 COC(=O)CC1=CC(=C(C=C1)O)N Z1201622979 [0,1,0,0,0,0|2,0,1]=4 175 B13R2.42 NC[C@@H]1C[C@H]1C2=CC=C(C=C2)F Z2286737527 [0,0,0,1,0,0|3,0,0]=4 176 B13R2.42 O=CC1CC1C2=CC=C(C=C2)F Z1255463273 [0,0,0,1,0,0|3,0,0]=4 177 B13R2.42 O=C[C@@H]1C[C@H]1C2=CC=C(C=C2)F Z2307166680 [0,0,0,1,0,0|3,0,0]=4 178 B13R2.43 CCN1CC2=C(C1)C=C(C=C2)Cl Z4745332343 [0,0,0,1,0,0|3,0,0]=4 179 B13R2.43 CNC1CC2=C(C1)C=C(C=C2)C Z1509336365 [0,0,0,1,0,0|1,0,0]=2 180 B13R2.146 CC1CCN1C2=CC=C(C=C2)Br Z1464058881 [0,0,0,1,0,0|3,0,0]=4 181 B13R2.148 NC1(CC1)CC2=CC=C(C=C2)Cl Z3244909154 [0,0,0,1,0,0|3,0,0]=4 182 B13R2.148 NC1(CC1)CC2=CC=C(C=C2)F Z2235812186 [0,0,0,1,0,0|3,0,0]=4 183 B13R2.1069 BrC1=CC=C(C=C1)NC2CCC2 Z3214799158 [0,0,0,1,0,0|3,0,0]=4 184 B13R2.1069 ClC1=CC=C(C=C1)CC2CNC2 Z1333043513 [0,0,0,1,0,0|3,0,0]=4 185 B13R2.1069 FC1=CC=C(C=C1)CC2CNC2 Z1274177347 [0,0,0,1,0,0|3,0,0]=4 186 B13R2.1069 FC1=CC=C(C=C1)NC2CCC2 Z3247773511 [0,0,0,1,0,0|3,0,0]=4 187 B13R2.1069 IC1=CC=C(C=C1)OC2CCC2 Z1862022366 [0,0,0,1,0,0|3,0,0]=4 188 B13R2.1069 OC1=CC=C(C=C1)CC2CCC2 Z1513872159 [0,0,0,1,0,0|1,0,0]=2 189 B13R2.1069 OC1=CC=C(C=C1)OC2CCC2 Z2515400422 [0,0,0,1,0,0|2,0,0]=3 190 B13R2.3028 CC1=C(C2=C(N1)C=CC(=C2)O)C Z1509154773 [0,0,0,1,0,0|2,0,1]=4 191 B13R2.3028 CC1=CC2=C(C=C1)CC(C2=O)C Z1255467363 [0,0,0,1,0,0|3,0,0]=4 192 B13R2.3028 CC1=CC2=C(C=C1)CC(C2N)C Z1625822273 [0,0,0,1,0,0|3,0,0]=4 193 B13R2.3028 CC1CC2=C(C1=O)C=C(C=C2)F Z1201617604 [0,0,0,1,0,0|3,0,0]=4 194 B13R2.3028 CC1CC2=C(C1N)C=C(C=C2)F Z1398462002 [0,0,0,1,0,0|3,0,0]=4 195 B13R2.3028 CN1CC2=C(C1=O)C=C(C=C2)O Z1486003470 [0,0,0,1,0,0|3,0,0]=4 196 B13R2.3683 CC1CC2=C(C=C(C=C2)F)CN1 Z979717396 [0,0,0,1,0,0|1,0,0]=2 197 B13R2.3683 CC1CCC2=C(C1)C=NC(=C2)N Z2906227881 [0,0,0,1,0,0|3,0,0]=4 198 B13R2.3683 OC1CCC2=C(C1)C=CC(=C2)Br Z449374978 [0,0,0,1,0,0|3,0,0]=4 199 B11R1.22 CC(C#N)C1=CC=C(C=C1)Br Z1269233209 [0,0,0,0,1,0|3,0,0]=4 200 B11R1.22 CC(C#N)C1=CC=C(C=C1)Cl Z1198147665 [0,0,0,0,1,0|3,0,0]=4 201 B11R1.22 CC(C=O)C1=CC=C(C=C1)Br Z1269114153 [0,0,0,0,1,0|3,0,0]=4 202 B11R1.22 CC(C=O)C1=CC=C(C=C1)Cl Z1198334992 [0,0,0,0,1,0|3,0,0]=4 203 B11R1.22 CC(C=O)C1=CC=C(C=C1)F Z1255400140 [0,0,0,0,1,0|3,0,0]=4 204 B11R1.22 CC(CN)C1=CC=C(C=C1)Br Z2906280360 [0,0,0,0,1,0|3,0,0]=4 205 B11R1.22 CC(CN)C1=CC=C(C=C1)F Z415654954 [0,0,0,0,1,0|3,0,0]=4 206 B11R1.22 CC(CO)C1=CC=C(C=C1)F Z1255440783 [0,0,0,0,1,0|3,0,0]=4 207 B11R1.22 CC1=CC=C(C=C1)C(C)C#N Z415654732 [0,0,0,0,1,0|3,0,0]=4 208 B11R1.22 CC1=CC=C(C=C1)C(C)C=O Z1198150045 [0,0,0,0,1,0|3,0,0]=4 209 B11R1.22 CC1=CC=C(C=C1)C(C)CN Z415654970 [0,0,0,0,1,0|3,0,0]=4 210 B11R1.22 CCC(=O)C1=CC=C(C=C1)O Z104499156 [0,0,0,0,1,0|2,0,1]=4 211 B11R1.22 CCC(C)C1=CC=C(C=C1)O Z104484172 [0,0,0,0,1,0|1,0,0]=2 212 B11R1.22 CCC(N)C1=CC=C(C=C1)Br Z90662172 [0,0,0,0,1,0|3,0,0]=4 213 B11R1.22 CCC(N)C1=CC=C(C=C1)C Z90662186 [0,0,0,0,1,0|3,0,0]=4 214 B11R1.22 CCC(N)C1=CC=C(C=C1)Cl Z221421644 [0,0,0,0,1,0|3,0,0]=4 215 B11R1.22 CCC(O)C1=CC=C(C=C1)C Z228586316 [0,0,0,0,1,0|3,0,0]=4 216 B11R1.22 CCC(O)C1=CC=C(C=C1)Cl Z228586168 [0,0,0,0,1,0|3,0,0]=4 217 B11R1.22 CCC(O)C1=CC=C(C=C1)F Z228586174 [0,0,0,0,1,0|3,0,0]=4 218 B11R1.22 CCC(O)C1=CC=C(C=C1)O Z228586170 [0,0,0,0,1,0|2,0,0]=3 219 B11R1.22 CC[C@@H](N)C1=CC=C(C=C1)F Z1626921240 [0,0,0,0,1,0|3,0,0]=4 220 B11R1.22 CC[C@H](N)C1=CC=C(C=C1)F Z1625822291 [0,0,0,0,1,0|3,0,0]=4 221 B11R1.22 CNC(=O)C1=CC=C(C=C1)Br Z30272262 [0,0,0,0,1,0|2,0,1]=4 222 B11R1.22 CNC(=O)C1=CC=C(C=C1)C Z32016517 [0,0,0,0,1,0|2,0,1]=4 223 B11R1.22 CNC(=O)C1=CC=C(C=C1)Cl Z32016366 [0,0,0,0,1,0|2,0,1]=4 224 B11R1.22 CNC(=O)C1=CC=C(C=C1)I Z30272273 [0,0,0,0,1,0|2,0,1]=4 225 B11R1.22 CNC(=O)C1=CC=C(C=C1)N Z56985799 [0,0,0,0,1,0|2,0,1]=4 226 B11R1.22 CNC(=O)C1=CC=C(C=C1)O Z183855140 [0,0,0,0,1,0|1,0,1]=3 227 B11R1.22 CNC(C)C1=CC=C(C=C1)C Z239628686 [0,0,0,0,1,0|1,0,0]=2 228 B11R1.22 CNC(C)C1=CC=C(C=C1)Cl Z159528172 [0,0,0,0,1,0|1,0,0]=2 229 B11R1.22 CNC(C)C1=CC=C(C=C1)F Z166605480 [0,0,0,0,1,0|1,0,0]=2 230 B11R1.22 CNC(C)C1=CC=C(C=C1)O Z316170374 [0,0,0,0,1,0|0,0,0]=1 231 B11R1.22 CNC(C)C1=NC=C(C=C1)Cl Z1392162358 [0,0,0,0,1,0|2,0,0]=3 232 B11R1.22 COC(=O)C1=CC=C(C=C1)O Z19674820 [0,0,0,0,1,0|2,0,1]=4 233 B11R1.22 NNC(=O)C1=CC=C(C=C1)O Z57036327 [0,0,0,0,1,0|2,0,1]=4 234 B13R1.14 CNC(=O)CCC1=CC=C(C=C1)Br Z1336804093 [0,0,0,0,0,1|2,0,1]=4 235 B13R1.14 CNC(=O)CCC1=CC=C(C=C1)C Z192611328 [0,0,0,0,0,1|2,0,1]=4 236 B13R1.14 CNC(=O)CCC1=CC=C(C=C1)F Z135505342 [0,0,0,0,0,1|2,0,1]=4 237 B13R1.14 CNC(=O)CNC1=CC=C(C=C1)C Z32016140 [0,0,0,0,0,1|2,0,1]=4 238 B13R1.14 CNC(=O)COC1=CC=C(C=C1)Br Z19725438 [0,0,0,0,0,1|2,0,1]=4 239 B13R1.14 CNC(=O)COC1=CC=C(C=C1)Cl Z19727266 [0,0,0,0,0,1|2,0,1]=4 240 B13R1.14 CNC(=O)COC1=CC=C(C=C1)N Z285226602 [0,0,0,0,0,1|2,0,1]=4 241 B13R1.14 CNC(=O)COC1=CC=C(C=C1)O Z381414890 [0,0,0,0,0,1|1,0,1]=3 242 B13R1.14 CNC(=O)CSC1=CC=C(C=C1)C Z18769689 [0,0,0,0,0,1|2,0,1]=4 243 B13R1.14 CNC(=O)CSC1=CC=C(C=C1)Cl Z19728420 [0,0,0,0,0,1|2,0,1]=4 244 B13R1.14 CNC(C)CCC1=CC=C(C=C1)O Z3215375352 [0,0,0,0,0,1|0,0,0]=1 245 B13R1.14 CNC(C)CNC1=NC=C(C=N1)Cl Z2732402174 [0,0,0,0,0,1|3,0,0]=4 246 B13R1.14 COC(=O)CCC1=CC=C(C=C1)O Z796576156 [0,0,0,0,0,1|2,0,1]=4 247 B13R1.14 COC(=O)COC1=CC=C(C=C1)O Z1190318463 [0,0,0,0,0,1|2,0,1]=4 248 B13R1.14 COC(C)CNC1=CC=C(C=C1)C Z1647435249 [0,0,0,0,0,1|2,0,0]=3 249 B10R1.1 CC1=CC=C(C=C1)CCN Z1268153218 [2,0,0,0,0,0|1,0,0]=3 250 B10R1.1 CC1=CC=C(C=C1)CCO Z397587076 [2,0,0,0,0,0|2,0,0]=4 251 B10R1.1 CC1=NC=C(C=C1)CCN Z600584220 [2,0,0,0,0,0|2,0,0]=4 252 B10R1.1 CCCC1=CC=C(C=C1)Br Z299596168 [2,0,0,0,0,0|1,0,0]=3 253 B10R1.1 CCCC1=CC=C(C=C1)N Z104492166 [2,0,0,0,0,0|1,0,0]=3 254 B10R1.1 CCNC1=CC=C(C=C1)Br Z286365048 [2,0,0,0,0,0|2,0,0]=4 255 B10R1.1 CCNC1=CC=C(C=C1)Cl Z2902298062 [2,0,0,0,0,0|2,0,0]=4 256 B10R1.1 CCNC1=CC=C(C=C1)F Z89270849 [2,0,0,0,0,0|2,0,0]=4 257 B10R1.1 CCNC1=CC=C(C=C1)N Z359511474 [2,0,0,0,0,0|2,0,0]=4 258 B10R1.1 CCNC1=CC=C(C=C1)O Z1823256830 [2,0,0,0,0,0|1,0,0]=3 259 B10R1.1 CCOC1=CC=C(C=C1)C Z53834228 [2,0,0,0,0,0|2,0,0]=4 260 B10R1.1 CCOC1=CC=C(C=C1)N Z57127438 [2,0,0,0,0,0|2,0,0]=4 261 B10R1.1 CCOC1=CC=C(C=C1)S Z166646982 [2,0,0,0,0,0|1,1,0]=4 262 B10R1.1 CNCC1=CC=C(C=C1)Br Z56175269 [2,0,0,0,0,0|1,0,0]=3 263 B10R1.1 CNCC1=CC=C(C=C1)C Z56944115 [2,0,0,0,0,0|1,0,0]=3 264 B10R1.1 CNCC1=CC=C(C=C1)Cl Z56956070 [2,0,0,0,0,0|1,0,0]=3 265 B10R1.1 CNCC1=CC=C(C=C1)F Z56963340 [2,0,0,0,0,0|1,0,0]=3 266 B10R1.1 CNCC1=CC=C(C=C1)I Z4242747560 [2,0,0,0,0,0|1,0,0]=3 267 B10R1.1 CNCC1=CN=C(C=C1)Cl Z265498862 [2,0,0,0,0,0|2,0,0]=4 268 B10R1.1 CNCC1=CN=C(C=C1)F Z1745074466 [2,0,0,0,0,0|2,0,0]=4 269 B10R1.1 CNCC1=CN=C(C=C1)N Z1255388567 [2,0,0,0,0,0|2,0,0]=4 270 B10R1.1 CNCC1=NC=C(C=C1)Br Z5436471179 [2,0,0,0,0,0|2,0,0]=4 271 B10R1.1 CNCC1=NC=C(C=C1)C Z1255425232 [2,0,0,0,0,0|2,0,0]=4 272 B10R1.1 COCC1=CC=C(C=C1)N Z240084568 [2,0,0,0,0,0|2,0,0]=4 273 B10R1.1 CSCC1=CC=C(C=C1)Br Z19854469 [2,0,0,0,0,0|2,0,0]=4 274 B10R1.1 CSCC1=CC=C(C=C1)N Z732207336 [2,0,0,0,0,0|2,0,0]=4 275 B10R1.1 N#CCC1=CC=C(C=C1)O Z90120144 [2,0,0,0,0,0|0,0,2]=4 276 B10R1.1 NC1=CC=C(C=C1)CCO Z276600190 [2,0,0,0,0,0|2,0,0]=4 277 B10R1.1 NCCC1=CC=C(C=C1)Br Z285143750 [2,0,0,0,0,0|1,0,0]=3 278 B10R1.1 NCCC1=CC=C(C=C1)Cl Z57051065 [2,0,0,0,0,0|1,0,0]=3 279 B10R1.1 NCCC1=CC=C(C=C1)F Z90122126 [2,0,0,0,0,0|1,0,0]=3 280 B10R1.1 NCCC1=CC=C(C=C1)I Z2515133713 [2,0,0,0,0,0|1,0,0]=3 281 B10R1.1 NCCC1=CC=C(C=C1)O Z744729058 [2,0,0,0,0,0|0,0,0]=2 282 B10R1.1 NCCC1=CN=C(C=C1)Cl Z1198178633 [2,0,0,0,0,0|2,0,0]=4 283 B10R1.1 NCCC1=CN=C(N=C1)O Z2725055726 [2,0,0,0,0,0|2,0,0]=4 284 B10R1.1 NCCC1=NC=C(C=C1)F Z2238508662 [2,0,0,0,0,0|2,0,0]=4 285 B10R1.1 NCCC1=NC=C(C=C1)O Z2350909287 [2,0,0,0,0,0|1,0,0]=3 286 B10R1.1 NOCC1=CC=C(C=C1)Cl Z1198164677 [2,0,0,0,0,0|2,0,0]=4 287 B10R1.1 OCCC1=CC=C(C=C1)Br Z397587340 [2,0,0,0,0,0|2,0,0]=4 288 B10R1.1 OCCC1=CC=C(C=C1)F Z397587326 [2,0,0,0,0,0|2,0,0]=4 289 B10R1.1 OCCC1=CC=C(C=C1)O Z1250886919 [2,0,0,0,0,0|1,0,0]=3 290 B10R1.17 CCCCC1=CC=CC=C1 Z104492496 [2,0,0,0,0,0|1,0,0]=3 291 B10R1.17 CCNCC1=CC=CC=C1 Z57327176 [2,0,0,0,0,0|2,0,0]=4 292 B10R1.17 CNCCC1=CC=CC=C1 Z445226260 [2,0,0,0,0,0|0,0,0]=2 293 B10R1.17 CNCCC1=CC=NC=C1 Z235580560 [2,0,0,0,0,0|1,0,0]=3 294 B10R1.17 CNCCC1=CN=CC=C1 Z2418466818 [2,0,0,0,0,0|1,0,0]=3 295 B10R1.17 CNCCC1=NC=CC=C1 Z2238930991 [2,0,0,0,0,0|1,0,0]=3 296 B10R1.17 CNCCC1=NC=CC=N1 Z3023337072 [2,0,0,0,0,0|2,0,0]=4 297 B10R1.17 COCCC1=CC=CC=C1 Z104494216 [2,0,0,0,0,0|1,0,0]=3 298 B10R1.17 N#CCCC1=CC=CC=C1 Z104507980 [2,0,0,0,0,0|2,0,0]=4 299 B10R1.17 NCCCC1=CC=CC=C1 Z104478312 [2,0,0,0,0,0|2,0,0]=4 300 B10R1.17 NNCCC1=CC=CC=C1 Z927192062 [2,0,0,0,0,0|1,0,0]=3 301 B10R1.17 O=CCCC1=CC=CC=C1 Z87002472 [2,0,0,0,0,0|2,0,0]=4 302 B10R1.17 OCCCC1=CC=CC=C1 Z104476660 [2,0,0,0,0,0|2,0,0]=4 303 B10R1.18 CC(C)CC1=CC=CC=C1 Z104486386 [2,0,0,0,0,0|0,0,0]=2 304 B10R1.18 CC(C)CC1=NC=CC=C1 Z1201621742 [2,0,0,0,0,0|1,0,0]=3 305 B10R1.18 CC(C)NC1=CC=CC=C1 Z104475020 [2,0,0,0,0,0|1,0,0]=3 306 B10R1.18 CC(C)NC1=CN=CC=C1 Z334882282 [2,0,0,0,0,0|2,0,0]=4 307 B10R1.18 CC(C)OC1=CC=CC=C1 Z53833867 [2,0,0,0,0,0|1,0,0]=3 308 B10R1.18 CC(C)OC1=CC=NC=C1 Z1140308716 [2,0,0,0,0,0|2,0,0]=4 309 B10R1.18 CC(N)CC1=CC=NC=C1 Z285143992 [2,0,0,0,0,0|1,0,0]=3 310 B10R1.18 CC(O)CC1=CC=CC=C1 Z513749298 [2,0,0,0,0,0|1,0,0]=3 311 B10R1.18 CC(O)CC1=CC=NC=C1 Z992409872 [2,0,0,0,0,0|2,0,0]=4 312 B10R1.18 CC(O)CC1=NC=CC=C1 Z513750714 [2,0,0,0,0,0|2,0,0]=4 313 B10R1.18 CN(C)CC1=CN=CC=C1 Z140563088 [2,0,0,0,0,0|2,0,0]=4 314 B10R1.18 CN(C)CC1=NC=CC=C1 Z4614651190 [2,0,0,0,0,0|2,0,0]=4 315 B10R1.18 N=C(N)CC1=CC=CC=C1 Z600428462 [2,0,0,0,0,0|1,0,1]=4 316 B10R1.18 NC(=O)CC1=CC=CC=C1 Z33546508 [2,0,0,0,0,0|1,0,1]=4 317 B10R1.18 NC(=S)CC1=CC=CC=C1 Z56928578 [2,0,0,0,0,0|1,0,1]=4 318 B12R1.1 CCCCOC1=CC=C(C=C1)O Z381414690 [1,1,0,0,0,0|1,0,0]=3 319 B12R1.1 CCCNCC1=CC=C(C=C1)F Z57065603 [1,1,0,0,0,0|2,0,0]=4 320 B12R1.1 CNC/C=C/C1=CC=C(C=C1)Br Z1834223589 [1,1,0,0,0,0|1,0,1]=4 321 B12R1.1 CNCCOC1=CC=C(C=C1)Br Z55993065 [1,1,0,0,0,0|1,0,0]=3 322 B12R1.1 CNCCOC1=CC=C(C=C1)C Z138105388 [1,1,0,0,0,0|1,0,0]=3 323 B12R1.1 CNCCOC1=CC=C(C=C1)Cl Z56963344 [1,1,0,0,0,0|1,0,0]=3 324 B12R1.1 CNCCOC1=CC=C(C=C1)F Z138105420 [1,1,0,0,0,0|1,0,0]=3 325 B12R1.1 CNCCOC1=CC=C(C=C1)O Z1209979801 [1,1,0,0,0,0|0,0,0]=2 326 B12R1.1 COCCNC1=CC=C(C=C1)N Z812516870 [1,1,0,0,0,0|2,0,0]=4 327 B12R1.1 COCCOC1=CC=C(C=C1)Br Z167838728 [1,1,0,0,0,0|2,0,0]=4 328 B12R1.1 COCCOC1=CC=C(C=C1)F Z285938284 [1,1,0,0,0,0|2,0,0]=4 329 B12R1.1 COCCOC1=CC=C(C=C1)O Z381414750 [1,1,0,0,0,0|1,0,0]=3 330 B12R1.1 COCCOC1=CC=C(C=C1)S Z1689885585 [1,1,0,0,0,0|1,1,0]=4 331 B12R1.1 COCCSC1=CC=C(C=C1)N Z412014166 [1,1,0,0,0,0|2,0,0]=4 332 B12R1.1 CSCCOC1=CC=C(C=C1)I Z54518503 [1,1,0,0,0,0|2,0,0]=4 333 B12R1.1 NC1=CC=C(C=C1)CCCCO Z1262622677 [1,1,0,0,0,0|2,0,0]=4 334 B12R1.1 NCCCCC1=CC=C(C=C1)Br Z5880376049 [1,1,0,0,0,0|2,0,0]=4 335 B12R1.1 NCCCCC1=CC=C(C=C1)Cl Z3234944947 [1,1,0,0,0,0|2,0,0]=4 336 B12R1.1 NNCCOC1=CC=C(C=C1)Cl Z94597880 [1,1,0,0,0,0|2,0,0]=4 337 B12R1.16 CCCC(N)C1=CC=C(C=C1)Cl Z1416203204 [1,1,0,0,0,0|2,0,0]=4 338 B12R1.16 CNCC(O)C1=CC=C(C=C1)F Z1263820285 [1,1,0,0,0,0|1,0,0]=3 339 B12R1.16 COCC(N)C1=CC=C(C=C1)F Z1297772361 [1,1,0,0,0,0|2,0,0]=4 340 B12R1.21 CC(=O)CCC1=CC=C(C=C1)C Z406376788 [1,1,0,0,0,0|2,0,0]=4 341 B12R1.21 CC(=O)CCC1=CC=C(C=C1)F Z406376784 [1,1,0,0,0,0|2,0,0]=4 342 B12R1.21 CC(=O)CCC1=CC=C(C=C1)I Z1263632422 [1,1,0,0,0,0|2,0,0]=4 343 B12R1.21 CC(C)CCC1=CC=C(C=C1)N Z424736042 [1,1,0,0,0,0|2,0,0]=4 344 B12R1.21 CC(C)COC1=CC=C(C=C1)O Z381414742 [1,1,0,0,0,0|2,0,0]=4 345 B12R1.21 CC(N)CCC1=CC=C(C=C1)Br Z235361851 [1,1,0,0,0,0|2,0,0]=4 346 B12R1.21 CC(N)CCC1=CC=C(C=C1)I Z1947443961 [1,1,0,0,0,0|2,0,0]=4 347 B12R1.21 CC(N)CCC1=CC=C(C=C1)O Z220327456 [1,1,0,0,0,0|1,0,0]=3 348 B12R1.21 CC(O)CCC1=CC=C(C=C1)O Z57921369 [1,1,0,0,0,0|1,0,0]=3 349 B12R1.21 CN(C)CCC1=CC=C(C=C1)Br Z2335774813 [1,1,0,0,0,0|1,0,0]=3 350 B12R1.21 CN(C)CCC1=CC=C(C=C1)N Z335289246 [1,1,0,0,0,0|1,0,0]=3 351 B12R1.21 O=C(O)CCC1=CC=C(C=C1)O Z317038012 [1,1,0,0,0,0|2,0,0]=4 352 B12R1.69 CNCCC1=C(C=C(C=C1)F)F Z3302963389 [1,1,0,0,0,0|1,0,0]=3 353 B12R1.71 CCCCC1=CC=C(C=C1)C=O Z385369906 [1,1,0,0,0,0|1,0,1]=4 354 B12R1.71 CCCCC1=CC=C(C=C1)NC Z1331041631 [1,1,0,0,0,0|2,0,0]=4 355 B12R1.71 CCCOC1=CC=C(C=C1)CO Z54603099 [1,1,0,0,0,0|2,0,0]=4 356 B12R1.71 CCNCC1=CC=C(C=C1)OC Z451452322 [1,1,0,0,0,0|2,0,0]=4 357 B12R1.71 COC1=CC=C(C=C1)CCC=O Z1079442590 [1,1,0,0,0,0|2,0,0]=4 358 B12R1.71 COC1=CC=C(C=C1)CCCN Z291234224 [1,1,0,0,0,0|2,0,0]=4 359 B12R1.71 COC1=CC=C(C=C1)CCNN Z2327071096 [1,1,0,0,0,0|1,0,0]=3 360 B12R1.71 COCCC1=CC=C(C=C1)CO Z385370424 [1,1,0,0,0,0|1,0,0]=3 361 B12R1.385 CCCCC1=CC(=C(C=C1)C)N Z1262626215 [1,1,0,0,0,0|2,0,0]=4 362 B12R1.385 CCCCC1=CC(=C(C=C1)O)C Z1416171318 [1,1,0,0,0,0|1,0,0]=3 363 B12R1.385 CNCCC1=CC(=C(C=C1)O)Br Z3710478807 [1,1,0,0,0,0|0,0,0]=2 364 B12R1.385 COCCC1=CC(=C(C=C1)O)Cl Z1513901493 [1,1,0,0,0,0|1,0,0]=3 365 B12R1.4 C#CC1=CC=C(C=C1)OC(C)C Z1080385566 [1,1,0,0,0,0|2,0,0]=4 366 B12R1.4 CC(C)CC1=CC=C(C=C1)C=O Z385369920 [1,1,0,0,0,0|0,0,1]=3 367 B12R1.4 CC(C)CC1=CC=C(C=C1)CO Z385370338 [1,1,0,0,0,0|0,0,0]=2 368 B12R1.4 CC(C)CC1=NC=C(C=C1)C=O Z2732484016 [1,1,0,0,0,0|1,0,1]=4 369 B12R1.4 CC(C)NC1=CC=C(C=C1)CN Z4905251594 [1,1,0,0,0,0|2,0,0]=4 370 B12R1.4 CC(C)OC1=CC=C(C=C1)C#N Z53834533 [1,1,0,0,0,0|2,0,0]=4 371 B12R1.4 CC(C)OC1=CC=C(C=C1)C=O Z53833127 [1,1,0,0,0,0|1,0,1]=4 372 B12R1.4 CC(C)OC1=CC=C(C=C1)CO Z54549633 [1,1,0,0,0,0|1,0,0]=3 373 B12R1.4 CC(C)SC1=CC=C(C=C1)CO Z1157828975 [1,1,0,0,0,0|1,0,0]=3 374 B12R1.4 CC(O)CC1=CC=C(C=C1)C=O Z1511913303 [1,1,0,0,0,0|1,0,1]=4 375 B12R1.4 CCC1=CC=C(C=C1)NC(C)C Z266668684 [1,1,0,0,0,0|2,0,0]=4 376 B12R1.4 CN(C)CC1=CC=C(C=C1)C#N Z54750053 [1,1,0,0,0,0|2,0,0]=4 377 B12R1.4 CN(C)CC1=CC=C(C=C1)C=O Z1065726000 [1,1,0,0,0,0|1,0,1]=4 378 B12R1.4 CN(C)CC1=CC=C(C=C1)CO Z336081024 [1,1,0,0,0,0|1,0,0]=3 379 B12R1.4 CNC1=CC=C(C=C1)OC(C)C Z1889917384 [1,1,0,0,0,0|2,0,0]=4 380 B12R1.4 COC1=CC=C(C=C1)CC(=O)N Z33546648 [1,1,0,0,0,0|1,0,1]=4 381 B12R1.4 COC1=CC=C(C=C1)CC(C)O Z228586162 [1,1,0,0,0,0|1,0,0]=3 382 B12R1.19 CC(=O)CC1=CC(=C(C=C1)O)Br Z1269192817 [1,1,0,0,0,0|1,0,1]=4 383 B12R1.19 CC(C)NC1=CC(=C(C=C1)Cl)Cl Z267194630 [1,1,0,0,0,0|2,0,0]=4 384 B12R1.19 CC(C)OC1=CC(=C(C=C1)N)Cl Z955172598 [1,1,0,0,0,0|2,0,0]=4 385 B12R1.19 CC(C)OC1=CC(=C(C=C1)N)F Z839157364 [1,1,0,0,0,0|2,0,0]=4 386 B12R1.19 CC(N)CC1=CC(=C(C=C1)F)Br Z285144030 [1,1,0,0,0,0|1,0,0]=3 387 B12R1.19 CC(N)CC1=CC(=C(C=C1)O)O Z1891776857 [1,1,0,0,0,0|0,0,0]=2 388 B12R1.19 CC(O)CC1=CC(=C(C=C1)Br)F Z1295686053 [1,1,0,0,0,0|2,0,0]=4 389 B12R1.19 CC1=C(C=C(C=C1)CC(C)N)F Z4098107054 [1,1,0,0,0,0|1,0,0]=3 390 B12R1.19 CC1=C(C=C(C=C1)CN(C)C)N Z335289232 [1,1,0,0,0,0|2,0,0]=4 391 B12R1.19 CC1=C(C=CC(=C1)CN(C)C)N Z335289244 [1,1,0,0,0,0|2,0,0]=4 392 B12R1.19 CC1=C(C=CC(=C1)OC(C)C)N Z239604804 [1,1,0,0,0,0|2,0,0]=4 393 B12R1.19 CN(C)CC1=CC(=C(C=C1)N)F Z1097100932 [1,1,0,0,0,0|2,0,0]=4 394 B12R1.19 CN(C)CC1=CC(=C(C=C1)O)Cl Z1945695050 [1,1,0,0,0,0|1,0,0]=3 395 B12R1.20 CC(C)C(=O)C1=CC=C(C=C1)Cl Z385417200 [1,1,0,0,0,0|1,0,1]=4 396 B12R1.20 CC(C)C(=O)C1=CC=C(C=C1)N Z1198162397 [1,1,0,0,0,0|1,0,1]=4 397 B12R1.20 CC(C)C(=O)C1=CC=C(C=C1)O Z1198150713 [1,1,0,0,0,0|0,0,1]=3 398 B12R1.20 CC(C)C(N)C1=CC=C(C=C1)Br Z3211605350 [1,1,0,0,0,0|1,0,0]=3 399 B12R1.20 CC(C)C(N)C1=CC=C(C=C1)Cl Z221528970 [1,1,0,0,0,0|1,0,0]=3 400 B12R1.20 CC(C)C(N)C1=CC=C(C=C1)F Z99598998 [1,1,0,0,0,0|1,0,0]=3 401 B12R1.20 CC(C)C(O)C1=CC=C(C=C1)Cl Z513748660 [1,1,0,0,0,0|1,0,0]=3 402 B12R1.20 CC(C)C(O)C1=NC=C(C=C1)Br Z1649738214 [1,1,0,0,0,0|2,0,0]=4 403 B12R1.20 CC(N)C(=O)C1=CC=C(C=C1)Cl Z3023980683 [1,1,0,0,0,0|1,0,1]=4 404 B12R1.20 CC(N)C(O)C1=CC=C(C=C1)Br Z336086694 [1,1,0,0,0,0|1,0,0]=3 405 B12R1.20 CC(N)C(O)C1=CC=C(C=C1)F Z336086696 [1,1,0,0,0,0|1,0,0]=3 406 B12R1.20 CN(C)C(=O)C1=CC=C(C=C1)O Z68247175 [1,1,0,0,0,0|1,0,1]=4 407 B12R1.106 CC(C)(C)CC1=CC=C(C=C1)Br Z1681356955 [1,1,0,0,0,0|1,0,0]=3 408 B12R1.106 CC(C)(C)OC1=CC=C(C=C1)Br Z1203159865 [1,1,0,0,0,0|2,0,0]=4 409 B12R1.106 CC(C)(C)OC1=CC=C(C=C1)N Z362795876 [1,1,0,0,0,0|2,0,0]=4 410 B12R1.106 CC(C)(C)SC1=CC=C(C=C1)N Z332377642 [1,1,0,0,0,0|2,0,0]=4 411 B12R1.106 CC(C)(N)CC1=CC=C(C=C1)Br Z1263529603 [1,1,0,0,0,0|1,0,0]=3 412 B12R1.106 CC(C)(O)CC1=CC=C(C=C1)Br Z513707720 [1,1,0,0,0,0|1,0,0]=3 413 B12R1.106 CC1=CC=C(C=C1)CC(C)(C)N Z415658550 [1,1,0,0,0,0|1,0,0]=3 414 B12R1.106 OC1=CC=C(C=C1)CC(F)(F)F Z1198278054 [1,1,0,0,0,0|2,0,0]=4 415 B12R1.233 CC(C)CC1=C(C=C(C=C1)O)O Z1513805538 [1,1,0,0,0,0|0,0,0]=2 416 B12R1.233 CC(C)NC1=C(C=C(C=C1)Cl)N Z359511184 [1,1,0,0,0,0|2,0,0]=4 417 B12R1.233 CC(C)NC1=C(C=C(C=C1)F)Cl Z267287236 [1,1,0,0,0,0|2,0,0]=4 418 B12R1.233 CC(C)NC1=C(C=C(C=C1)F)I Z4034733287 [1,1,0,0,0,0|2,0,0]=4 419 B12R1.233 CC(C)OC1=C(C=C(C=C1)Br)N Z330805102 [1,1,0,0,0,0|2,0,0]=4 420 B12R1.233 CC(C)OC1=C(C=C(C=C1)Cl)N Z274542066 [1,1,0,0,0,0|2,0,0]=4 421 B12R1.233 CC(C)OC1=C(C=C(C=C1)F)N Z332376424 [1,1,0,0,0,0|2,0,0]=4 422 B12R1.233 CC(C)OC1=C(C=C(C=C1)N)Cl Z239873346 [1,1,0,0,0,0|2,0,0]=4 423 B12R1.233 CC(C)SC1=C(C=C(C=C1)Cl)N Z319450618 [1,1,0,0,0,0|2,0,0]=4 424 B12R1.233 CC(N)CC1=C(C=C(C=C1)Br)F Z405046456 [1,1,0,0,0,0|1,0,0]=3 425 B12R1.233 CC(N)CC1=C(C=C(C=C1)Cl)Cl Z285143988 [1,1,0,0,0,0|1,0,0]=3 426 B12R1.233 CC(N)CC1=C(C=C(C=C1)F)F Z5002837134 [1,1,0,0,0,0|1,0,0]=3 427 B12R1.233 CC1=C(C=CC(=C1)N)OC(C)C Z385462788 [1,1,0,0,0,0|2,0,0]=4 428 B12R1.233 CC1=CC(=C(C=C1)CC(C)N)C Z285143886 [1,1,0,0,0,0|1,0,0]=3 429 B12R1.233 CC1=CC(=C(C=C1)NC(C)C)C Z1259341051 [1,1,0,0,0,0|2,0,0]=4 430 B12R1.233 CN(C)CC1=C(C=C(C=C1)N)Br Z489537698 [1,1,0,0,0,0|2,0,0]=4 431 B12R1.233 CN(C)CC1=C(C=C(C=C1)N)Cl Z905073032 [1,1,0,0,0,0|2,0,0]=4 432 B12R1.233 CN(C)CC1=C(C=C(C=C1)N)F Z1250077979 [1,1,0,0,0,0|2,0,0]=4 433 B12R1.32 CCCC(C)NC1=CC=CC=C1 Z334878280 [1,1,0,0,0,0|2,0,0]=4 434 B12R1.32 CCCC(N)CC1=CC=CC=C1 Z513795750 [1,1,0,0,0,0|2,0,0]=4 435 B12R1.32 CN(CCN)CC1=CC=CC=C1 Z285207092 [1,1,0,0,0,0|2,0,0]=4 436 B12R1.32 CN(CCO)CC1=CC=CC=C1 Z137706074 [1,1,0,0,0,0|2,0,0]=4 437 B12R1.32 CNC/C(=C/C1=CC=CC=C1)/C Z1137726270 [1,1,0,0,0,0|0,0,2]=4 438 B12R1.32 CNCC(N)CC1=CC=CC=C1 Z756920442 [1,1,0,0,0,0|1,0,0]=3 439 B12R1.32 COCC(N)CC1=CC=CC=C1 Z825742276 [1,1,0,0,0,0|2,0,0]=4 440 B12R1.32 NC(CCO)CC1=CC=CC=C1 Z1992316427 [1,1,0,0,0,0|2,0,0]=4 441 B12R1.34 CCC(N)C(C)C1=CC=CC=C1 Z1318372590 [1,1,0,0,0,0|2,0,0]=4 442 B12R1.34 CCC(N)C(O)C1=CC=CC=C1 Z1695783907 [1,1,0,0,0,0|2,0,0]=4 443 B12R1.34 CNC(=O)C(N)C1=CC=CC=C1 Z594038166 [1,1,0,0,0,0|1,0,1]=4 444 B12R1.34 CNC(=O)C(O)C1=CC=CC=C1 Z1203869997 [1,1,0,0,0,0|1,0,1]=4 445 B12R1.43 CC(=O)C(N)CC1=CC=CC=C1 Z90124995 [1,1,0,0,0,0|2,0,0]=4 446 B12R1.43 CC(C)C(C)NC1=CC=CC=C1 Z334878086 [1,1,0,0,0,0|2,0,0]=4 447 B12R1.43 CC(CC1=CC=CC=C1)C(=O)O Z513624710 [1,1,0,0,0,0|2,0,0]=4 448 B12R1.43 CC(N)C(C)OC1=CC=CC=C1 Z803066446 [1,1,0,0,0,0|2,0,0]=4 449 B12R1.43 CC(N)C(O)CC1=CC=CC=C1 Z1483956878 [1,1,0,0,0,0|2,0,0]=4 450 B12R1.43 C[C@@H](CC1=CC=CC=C1)C(=O)O Z1262510261 [1,1,0,0,0,0|2,0,0]=4 451 B12R1.50 CCC(C)OC1=CC(=CC=C1)N Z331149114 [1,1,0,0,0,0|2,0,0]=4 452 B12R1.50 CNC(=O)CC1=CC(=CC=C1)O Z816010790 [1,1,0,0,0,0|1,0,1]=4 453 B12R1.50 CNC(C)CC1=CC(=CC=C1)C Z2311236342 [1,1,0,0,0,0|0,0,0]=2 454 B12R1.118 CCC(CC1=CC=CC=C1)NC Z513799420 [1,1,0,0,0,0|0,0,0]=2 455 B12R1.118 CCC(CN)OC1=CC=CC=C1 Z851004988 [1,1,0,0,0,0|2,0,0]=4 456 B12R1.118 CCC(CO)NC1=CC=CC=C1 Z734137648 [1,1,0,0,0,0|2,0,0]=4 457 B12R1.118 COC(C=O)CC1=CC=CC=C1 Z1511872212 [1,1,0,0,0,0|1,0,1]=4 458 B12R1.118 COC(CO)CC1=CC=CC=C1 Z1896500221 [1,1,0,0,0,0|1,0,0]=3 459 B12R1.118 N#CC(CO)CC1=CC=CC=C1 Z1098915220 [1,1,0,0,0,0|2,0,0]=4 460 B12R1.118 NCC(CO)CC1=CC=CC=C1 Z234896807 [1,1,0,0,0,0|2,0,0]=4 461 B12R1.118 OCC(CO)CC1=CC=CC=C1 Z1255372888 [1,1,0,0,0,0|2,0,0]=4 462 B12R1.194 CC(C)(C#N)CC1=CC=CC=C1 Z1259281880 [1,1,0,0,0,0|2,0,0]=4 463 B12R1.194 CC(C)(C=O)CC1=CC=CC=C1 Z1188488760 [1,1,0,0,0,0|2,0,0]=4 464 B12R1.194 CC(C)(CN)CC1=CC=CC=C1 Z1269638453 [1,1,0,0,0,0|2,0,0]=4 465 B12R1.194 CNS(=O)(=O)CC1=CC=CC=C1 Z133621020 [1,1,0,0,0,0|2,0,0]=4 466 B12R1.371 CCC(N)CC1=C(C=CC=C1)Br Z1416200896 [1,1,0,0,0,0|2,0,0]=4 467 B12R1.371 CNC(=O)CC1=C(C=CC=C1)N Z234895127 [1,1,0,0,0,0|1,0,1]=4 468 B12R1.371 CNC(C)CC1=C(C=CC=C1)C Z1875110273 [1,1,0,0,0,0|0,0,0]=2 469 B12R1.5 CCC(C)C1=CC=C(C=C1)C=O Z385369904 [0,1,0,0,1,0|1,0,1]=4 470 B12R1.5 CCC(N)C1=CC=C(C=C1)OC Z85929849 [0,1,0,0,1,0|2,0,0]=4 471 B12R1.5 CCC(O)C1=CC=C(C=C1)OC Z228586320 [0,1,0,0,1,0|2,0,0]=4 472 B12R1.5 CCN(C)C1=CC=C(C=C1)CO Z409026316 [0,1,0,0,1,0|2,0,0]=4 473 B12R1.5 CNC(=O)C1=CC=C(C=C1)OC Z32016396 [0,1,0,0,1,0|1,0,1]=4 474 B12R1.5 CNC(C)C1=CC=C(C=C1)OC Z239628826 [0,1,0,0,1,0|0,0,0]=2 475 B12R1.5 COC1=CC=C(C=C1)C(C)C=O Z1255380175 [0,1,0,0,1,0|2,0,0]=4 476 B12R1.5 COC1=CC=C(C=C1)[C@H](C)C=O Z1511751525 [0,1,0,0,1,0|2,0,0]=4 477 B12R1.9 CC(C)(CN)C1=CC=C(C=C1)O Z4309614316 [0,1,0,0,1,0|2,0,0]=4 478 B12R1.9 CC(N)(CO)C1=CC=C(C=C1)O Z2111443595 [0,1,0,0,1,0|2,0,0]=4 479 B12R1.9 CCC(C)(C)C1=CC=C(C=C1)Br Z1270554970 [0,1,0,0,1,0|2,0,0]=4 480 B12R1.9 CCC(C)(C)C1=CC=C(C=C1)O Z104477686 [0,1,0,0,1,0|1,0,0]=3 481 B12R1.9 CCC(C)(O)C1=CC=C(C=C1)Cl Z449374102 [0,1,0,0,1,0|2,0,0]=4 482 B12R1.9 CNS(=O)(=O)C1=CC=C(C=C1)O Z381036150 [0,1,0,0,1,0|2,0,0]=4 483 B12R1.9 COC(C)(C)C1=CC=C(C=C1)Br Z1269200225 [0,1,0,0,1,0|2,0,0]=4 484 B12R1.12 CCC(CN)C1=CC=C(C=C1)Cl Z1198306661 [0,1,0,0,1,0|2,0,0]=4 485 B12R1.12 CNC(CF)C1=CC=C(C=C1)Br Z3179025555 [0,1,0,0,1,0|1,0,0]=3 486 B12R1.12 CNC(CN)C1=CC=C(C=C1)F Z941154056 [0,1,0,0,1,0|1,0,0]=3 487 B12R1.12 CNC(CO)C1=CC=C(C=C1)Cl Z2235386839 [0,1,0,0,1,0|1,0,0]=3 488 B12R1.12 COC(CN)C1=CC=C(C=C1)C Z4168346391 [0,1,0,0,1,0|2,0,0]=4 489 B12R1.12 COC(CN)C1=CC=C(C=C1)Cl Z838184210 [0,1,0,0,1,0|2,0,0]=4 490 B12R1.12 COC(CN)C1=CC=C(C=C1)F Z1278866649 [0,1,0,0,1,0|2,0,0]=4 491 B12R1.12 COC(CN)C1=CC=C(C=C1)O Z4639315632 [0,1,0,0,1,0|1,0,0]=3 492 B12R1.12 OCC(CO)C1=CC=C(C=C1)O Z1513899322 [0,1,0,0,1,0|2,0,0]=4 493 B12R1.367 CCC(C)C1=CC(=C(C=C1)O)N Z57441610 [0,1,0,0,1,0|1,0,0]=3 494 B12R1.367 CNC(C)C1=CC(=C(C=C1)Cl)Cl Z159528194 [0,1,0,0,1,0|1,0,0]=3 495 B12R1.1703 CNC(C)C1=C(C=C(C=C1)C)C Z239628972 [0,1,0,0,1,0|1,0,0]=3 496 B12R1.1703 CNC(C)C1=C(C=C(C=C1)Cl)Cl Z140561866 [0,1,0,0,1,0|1,0,0]=3 497 B14R1.5 CNC(=O)CSC1=CC=C(C=C1)OC Z51311503 [0,1,0,0,0,1|1,0,1]=4 498 B14R1.502 CCNC(=O)CCC1=CC=C(C=C1)O Z1634469457 [0,1,0,0,0,1|1,0,1]=4 499 B14R1.529 C/N=C(\NC)/NCC1=CC=C(C=C1)Br Z1146864677 [0,1,0,0,0,1|1,0,1]=4 500 B14R1.529 C/N=C(\NC)/NCC1=CC=C(C=C1)C Z911465434 [0,1,0,0,0,1|1,0,1]=4 501 B14R1.3 COC1=CC=C(C=C1)CC(=O)N(C)C Z32014544 [0,2,0,0,0,0|1,0,1]=4 502 B14R1.3 COC1=CC=C(C=C1)CC(C)C(=O)O Z513659616 [0,2,0,0,0,0|2,0,0]=4 503 B14R1.3 COC1=CC=C(C=C1)CC(N)C(C)C Z4521773945 [0,2,0,0,0,0|2,0,0]=4 504 B14R1.3 COC1=CC=C(C=C1)CN(C)C(=O)C Z30050798 [0,2,0,0,0,0|2,0,0]=4 505 B14R1.24 CCOC1=CC=C(C=C1)CC(=O)NC Z32016780 [0,2,0,0,0,0|1,0,1]=4 506 B14R1.215 CNS(=O)(=O)CC1=CC=C(C=C1)OC Z1681349619 [0,2,0,0,0,0|2,0,0]=4 507 B14R1.215 COC1=CC=C(C=C1)CC(C)(N)CN Z1117893504 [0,2,0,0,0,0|2,0,0]=4 508 B14R1.215 COC1=CC=C(C=C1)CC(C)(N)CO Z1117894823 [0,2,0,0,0,0|2,0,0]=4 509 B14R1.954 CNCC(C)CC1=CC=C(C=C1)OC Z992332056 [0,2,0,0,0,0|0,0,0]=2 510 B14R1.954 COC1=CC=C(C=C1)CN(C)CCN Z3246280295 [0,2,0,0,0,0|2,0,0]=4 511 B14R1.954 CONC(=O)CC1=CC=C(C=C1)OC Z245507048 [0,2,0,0,0,0|1,0,1]=4 512 B14R1.2879 CCC(C)OC1=CC=C(C=C1)C(=O)O Z57243688 [0,2,0,0,0,0|2,0,0]=4 513 B14R1.2879 CNC(=O)CC1=CC=C(C=C1)C(=O)O Z3690357341 [0,2,0,0,0,0|1,0,1]=4 514 B14R1.3276 CNC(=O)CC1=CC(=C(C=C1)OC)F Z100643770 [0,2,0,0,0,0|1,0,1]=4 515 B14R1.3276 COC1=C(C=C(C=C1)CC(C)C=O)F Z1238838025 [0,2,0,0,0,0|2,0,0]=4 516 B14R1.3276 COC1=C(C=C(C=C1)CC(C)CO)F Z1238840553 [0,2,0,0,0,0|2,0,0]=4 517 B14R1.33 O=C(CC1=CC=C(C=C1)O)NCCO Z135440350 [0,2,0,0,0,0|1,0,1]=4 518 B14R1.72 CCNC(CC)CC1=CC=C(C=C1)C Z513805006 [0,2,0,0,0,0|1,0,0]=3 519 B14R1.698 CC(=O)NC(C)CC1=CC=C(C=C1)Br Z423118124 [0,2,0,0,0,0|1,0,0]=3 520 B14R1.967 CNCC(C)OC1=CC(=C(C=C1)Cl)Cl Z991470458 [0,2,0,0,0,0|2,0,0]=4 521 B14R1.6817 COCC(C)(O)CC1=CC=C(C=C1)Cl Z992444188 [0,2,0,0,0,0|2,0,0]=4 522 B14R1.88 CCC(NC)C(=O)C1=CC=C(C=C1)Br Z4889932911 [0,2,0,0,0,0|1,0,1]=4 523 B14R1.88 CCC(NC)C(=O)C1=CC=C(C=C1)F Z4889932910 [0,2,0,0,0,0|1,0,1]=4 524 B14R1.536 CNC(CC1=CC=C(C=C1)F)C(C)C Z513802248 [0,2,0,0,0,0|1,0,0]=3 525 B14R1.686 CC(CC1=CC(=C(C=C1)O)O)C(=O)O Z1198162859 [0,2,0,0,0,0|2,0,0]=4 526 B14R1.686 CN(C)C(=O)CC1=CC(=C(C=C1)O)F Z2254470566 [0,2,0,0,0,0|1,0,1]=4 527 B14R1.7626 CC(C)(CC1=CC=C(C=C1)O)C(=O)O Z1376887330 [0,2,0,0,0,0|2,0,0]=4 528 B14R1.7626 CC(C)C(C)(N)CC1=CC=C(C=C1)Cl Z513708450 [0,2,0,0,0,0|2,0,0]=4 529 B14R1.7626 CC(C)C(C)(O)CC1=CC=C(C=C1)Cl Z513707888 [0,2,0,0,0,0|2,0,0]=4 530 B14R1.7626 C[C@](N)(CC1=CC=C(C=C1)O)C(=O)O Z1255434943 [0,2,0,0,0,0|2,0,0]=4 531 B12R2.24 BrC1=CC2=C(C=C1)CCCC2 Z299596180 [1,0,0,1,0,0|2,0,0]=4 532 B12R2.24 BrC1=CC2=C(C=C1)CCNC2 Z1117899488 [1,0,0,1,0,0|1,0,0]=3 533 B12R2.24 ClC1=CC2=C(C=C1)CCNC2 Z1716481593 [1,0,0,1,0,0|1,0,0]=3 534 B12R2.24 FC1=CC2=C(C=C1)CCNC2 Z979717316 [1,0,0,1,0,0|1,0,0]=3 535 B12R2.24 NC1=CC2=C(C=C1)CCCC2 Z278204684 [1,0,0,1,0,0|2,0,0]=4 536 B12R2.24 OC1=CC2=C(C=C1)CCCC2 Z57182387 [1,0,0,1,0,0|1,0,0]=3 537 B12R2.24 OC1=CC2=C(C=C1)CCCN2 Z1198176201 [1,0,0,1,0,0|2,0,0]=4 538 B12R2.24 OC1=CC2=C(C=C1)CCNC2 Z382690838 [1,0,0,1,0,0|0,0,0]=2 539 B12R2.24 OC1=CC2=C(C=C1)CCOC2 Z1551961557 [1,0,0,1,0,0|1,0,0]=3 540 B12R2.24 OC1=CC2=C(C=C1)CNCC2 Z3018438111 [1,0,0,1,0,0|2,0,0]=4 541 B12R2.24 OC1=CC2=C(C=C1)COCC2 Z1255359696 [1,0,0,1,0,0|2,0,0]=4 542 B12R2.24 OC1=CC2=C(C=C1)OCCC2 Z1201627010 [1,0,0,1,0,0|2,0,0]=4 543 B12R2.24 OC1=CC2=C(CCCC2)N=C1 Z1255357750 [1,0,0,1,0,0|2,0,0]=4 544 B12R2.132 CN1C=CC2=C1C=C(C=C2)O Z1255447420 [1,0,0,1,0,0|0,0,2]=4 545 B12R2.132 CN1CCC2=C1C=C(C=C2)N Z334596086 [1,0,0,1,0,0|1,0,0]=3 546 B12R2.132 CN1N=NC2=C1C=C(C=C2)O Z4966740129 [1,0,0,1,0,0|2,0,0]=4 547 B12R2.132 NC1CCC2=C1C=C(C=C2)O Z1198165276 [1,0,0,1,0,0|2,0,0]=4 548 B12R2.294 BrC1=CC=C(C=C1)CC2CO2 Z2523466484 [1,0,0,1,0,0|2,0,0]=4 549 B12R2.294 FC1=CC=C(C=C1)CC2CO2 Z1495386285 [1,0,0,1,0,0|2,0,0]=4 550 B12R2.294 OC1=CC=C(C=C1)OC2CC2 Z1255401633 [1,0,0,1,0,0|2,0,0]=4 551 B12R2.2302 ClC1=CC=C(C=C1)C2CNC2 Z3244745362 [1,0,0,1,0,0|1,0,0]=3 552 B12R2.2302 ClC1=CN=C(C=C1)C2CNC2 Z3069013257 [1,0,0,1,0,0|2,0,0]=4 553 B12R2.2302 NC1=CC=C(C=C1)C2CCC2 Z1203579606 [1,0,0,1,0,0|2,0,0]=4 554 B12R2.2302 OC1=CC=C(C=C1)C2CCC2 Z1486032779 [1,0,0,1,0,0|1,0,0]=3 555 B12R2.606 CC1CC2=C(N1)C=CC(=C2)Br Z5212090742 [1,0,0,1,0,0|2,0,0]=4 556 B12R2.606 CC1CC2=C(O1)C=CC(=C2)Br Z409451514 [1,0,0,1,0,0|2,0,0]=4 557 B12R2.606 CC1CC2=C(O1)C=CC(=C2)N Z2888802910 [1,0,0,1,0,0|2,0,0]=4 558 B12R2.606 CC1CC2=C(O1)C=CC(=C2)O Z1513815985 [1,0,0,1,0,0|1,0,0]=3 559 B12R2.606 CN1CC2=C(C1)C=C(C=C2)N Z406357890 [1,0,0,1,0,0|2,0,0]=4 560 B12R2.606 NC1=CC2=C(C=C1)CC(C2)O Z1203581059 [1,0,0,1,0,0|2,0,0]=4 561 B12R2.606 NC1CC2=C(C1)C=C(C=C2)Br Z1741978324 [1,0,0,1,0,0|1,0,0]=3 562 B12R2.606 NC1CC2=C(C1)N=CC(=C2)Br Z3466011318 [1,0,0,1,0,0|2,0,0]=4 563 B12R2.606 OC1=CC2=C(C=C1)CC(C2)O Z1198729229 [1,0,0,1,0,0|1,0,0]=3 564 B12R2.606 OC1CC2=C(C1)C=C(C=C2)Cl Z1489210921 [1,0,0,1,0,0|2,0,0]=4 565 B12R2.606 OC1CC2=C(C1)C=C(C=C2)F Z1862026143 [1,0,0,1,0,0|2,0,0]=4 566 B12R2.18 CC1=NC2=C(N1C)C=CC=C2 Z53833319 [1,0,0,1,0,0|1,0,1]=4 567 B12R2.18 CC1C2=C(C=CC=C2)CC1N Z1203580431 [1,0,0,1,0,0|2,0,0]=4 568 B12R2.18 CC1C2=C(C=CC=C2)CC1O Z1349231024 [1,0,0,1,0,0|2,0,0]=4 569 B12R2.18 CC1CC2=C(C1=O)C=CC=C2 Z854042930 [1,0,0,1,0,0|2,0,0]=4 570 B12R2.18 CC1CC2=C(C1N)C=CC=C2 Z1182328130 [1,0,0,1,0,0|2,0,0]=4 571 B12R2.18 CN1C(=O)CC2=C1C=CC=C2 Z56899025 [1,0,0,1,0,0|1,0,1]=4 572 B12R2.18 C[C@@H]1CC2=C([C@H]1N)C=CC=C2 Z4993149521 [1,0,0,1,0,0|2,0,0]=4 573 B12R2.18 C[C@H]1C2=C(C=CC=C2)C[C@H]1N Z2514551594 [1,0,0,1,0,0|2,0,0]=4 574 B12R2.23 CC1CNC1C2=CC=CC=C2 Z1268458216 [1,0,0,1,0,0|2,0,0]=4 575 B12R2.23 NC1CCC1C2=CC=CC=C2 Z1203589614 [1,0,0,1,0,0|2,0,0]=4 576 B12R2.23 N[C@@H]1CC[C@@H]1C2=CC=CC=C2 Z2489138864 [1,0,0,1,0,0|2,0,0]=4 577 B12R2.27 CNC1CC1C2=CC=CC=C2 Z1443588579 [1,0,0,1,0,0|0,0,0]=2 578 B12R2.27 CN[C@@H]1C[C@H]1C2=CC=CC=C2 Z3024312938 [1,0,0,1,0,0|0,0,0]=2 579 B12R2.27 N#C[C@@H]1C[C@H]1C2=CC=CC=C2 Z1198147613 [1,0,0,1,0,0|2,0,0]=4 580 B12R2.27 NCC1CC1C2=CC=CC=C2 Z1276751392 [1,0,0,1,0,0|2,0,0]=4 581 B12R2.27 O=C[C@@H]1C[C@H]1C2=CC=CC=C2 Z2298064271 [1,0,0,1,0,0|2,0,0]=4 582 B12R2.32 N#CC1CC2=C(C1)C=CC=C2 Z449368682 [1,0,0,1,0,0|2,0,0]=4 583 B12R2.32 NCC1CC2=C(C1)C=CC=C2 Z1269638468 [1,0,0,1,0,0|2,0,0]=4 584 B12R2.32 O=CC1CC2=C(C1)C=CC=C2 Z1255436588 [1,0,0,1,0,0|2,0,0]=4 585 B12R2.32 OCC1CC2=C(C1)C=CC=C2 Z1198176601 [1,0,0,1,0,0|2,0,0]=4 586 B12R2.37 CC1C(C1C2=CC=CC=C2)N Z3596843396 [1,0,0,1,0,0|2,0,0]=4 587 B12R2.94 NC1(CC1)CC2=CC=CC=C2 Z1723549343 [1,0,0,1,0,0|2,0,0]=4 588 B12R2.2058 C1=CC=C(C=C1)CC2CCN2 Z1324054892 [1,0,0,1,0,0|0,0,0]=2 589 B12R2.2058 C1=CC=C(C=C1)CC2CNC2 Z234895271 [1,0,0,1,0,0|2,0,0]=4 590 B12R2.290 CC1(CC1)C2=CC=C(C=C2)N Z3033960685 [0,0,0,1,1,0|2,0,0]=4 591 B12R2.290 CC1(CO1)C2=CC=C(C=C2)F Z1020684130 [0,0,0,1,1,0|2,0,0]=4 592 B12R2.290 CC1=CC=C(C=C1)C2(CO2)C Z1020684066 [0,0,0,1,1,0|2,0,0]=4 593 B12R2.612 CN1CCC2=C1C=CC(=C2)O Z2238129691 [0,0,0,1,1,0|2,0,0]=4 594 B12R2.612 O=C1NCC2=C1C=CC(=C2)O Z1198272536 [0,0,0,1,1,0|1,0,1]=4 595 B14R2.20 CC1CC(CN1)C2=CC=C(C=C2)Br Z1217227030 [0,0,0,1,0,1|1,0,0]=3 596 B14R2.20 CC1CC(CN1)C2=CC=C(C=C2)F Z1217227097 [0,0,0,1,0,1|1,0,0]=3 597 B14R2.20 CC1CCN(C1)C2=CC=C(C=C2)N Z785807440 [0,0,0,1,0,1|2,0,0]=4 598 B14R2.134 COC1CNC2=C(C1)C=C(C=C2)Br Z4900159625 [0,0,0,1,0,1|2,0,0]=4 599 B14R2.946 CC1CCN1CC2=CN=C(C=C2)O Z2863939082 [0,0,0,1,0,1|2,0,0]=4 600 B14R2.331 COC1=CC=C(C=C1)CC2CCN2 Z1413805528 [0,1,0,1,0,0|0,0,0]=2 601 B14R2.331 COC1=CC=C(C=C1)CC2CNC2 Z490826686 [0,1,0,1,0,0|2,0,0]=4 602 B14R2.331 O=CC1=CC=C(C=C1)CC2CCC2 Z2632093080 [0,1,0,1,0,0|1,0,1]=4 603 B14R2.2332 CCC1CCC2=C(C1)C=CC(=C2)O Z1513908433 [0,1,0,1,0,0|1,0,0]=3 604 B14R2.2332 COC1=CC2=C(C=C1)CC(CC2)O Z1198164344 [0,1,0,1,0,0|2,0,0]=4 605 B14R2.2332 COC1=CC2=C(C=C1)CC(NC2)C Z3070475288 [0,1,0,1,0,0|0,0,0]=2 606 B14R2.43 CNC[C@@H]1C[C@H]1C2=CC=C(C=C2)C Z4493918600 [0,1,0,1,0,0|1,0,0]=3 607 B14R2.72 BrC1=CC=C(C=C1)CC2CCCN2 Z281773886 [0,1,0,1,0,0|1,0,0]=3 608 B14R2.72 BrC1=CC=C(C=C1)CC2CCNC2 Z2213893385 [0,1,0,1,0,0|1,0,0]=3 609 B14R2.72 CC1=CC=C(C=C1)CC2CCCN2 Z382710498 [0,1,0,1,0,0|1,0,0]=3 610 B14R2.72 FC1=CC=C(C=C1)CC2CCCN2 Z281773862 [0,1,0,1,0,0|1,0,0]=3 611 B14R2.72 FC1=CC=C(C=C1)CC2CCNC2 Z1198169837 [0,1,0,1,0,0|1,0,0]=3 612 B14R2.72 FC1=CC=C(C=C1)O[C@@H]2CCNC2 Z2768167886 [0,1,0,1,0,0|2,0,0]=4 613 B14R2.72 OC1=CC=C(C=C1)CC2CCNC2 Z4186254010 [0,1,0,1,0,0|0,0,0]=2 614 B14R2.72 OC1=CC=C(C=C1)OC2CCCC2 Z381414686 [0,1,0,1,0,0|2,0,0]=4 615 B14R2.10622 CC1=CC=C(C=C1)CC2(CCC2)N Z5086662733 [0,1,0,1,0,0|2,0,0]=4 616 B14R2.10622 NC1(CCC1)CC2=CC=C(C=C2)Cl Z2182115495 [0,1,0,1,0,0|2,0,0]=4 617 B14R2.928 CC1CC1C(N)C2=CC=C(C=C2)Cl Z1262398484 [0,1,0,1,0,0|2,0,0]=4 618 B14R2.1095 CO[C@@H]1CC2=C([C@@H]1N)C=CC(=C2)Br Z5088293768 [0,1,0,1,0,0|2,0,0]=4 619 B14R2.10606 NC(C1=CC=C(C=C1)Br)C2CCC2 Z752370996 [0,1,0,1,0,0|2,0,0]=4 620 B14R2.10606 NC(C1=CC=C(C=C1)Cl)C2CCC2 Z291232668 [0,1,0,1,0,0|2,0,0]=4 621 B14R2.10606 NC(C1=CC=C(C=C1)F)C2CCC2 Z291232488 [0,1,0,1,0,0|2,0,0]=4 622 B14R2.10606 OC(C1=CC=C(C=C1)Br)C2CCC2 Z756121588 [0,1,0,1,0,0|2,0,0]=4 623 B14R2.29369 CC1CC2=C(CN1)C(=C(C=C2)F)Br Z2235192400 [0,1,0,1,0,0|1,0,0]=3 624 B14R2.4402 CC(=O)C1CC1C2=CC=C(C=C2)F Z370707900 [0,1,0,1,0,0|2,0,0]=4 625 B14R2.8239 CN1CCC2=C(C1)C=C(C(=C2)O)F Z3399257120 [0,1,0,1,0,0|2,0,0]=4 626 B14R2.158 NCC1(CC1)CC2=CC=C(C=C2)Br Z2522717989 [0,1,0,1,0,0|2,0,0]=4 627 B14R2.158 OCC1(CC1)CC2=CC=C(C=C2)Cl Z1270135324 [0,1,0,1,0,0|2,0,0]=4 628 B14R2.4404 CC1(CCC1C2=CC=C(C=C2)N)C Z5042712209 [0,1,0,1,0,0|2,0,0]=4 629 B14R2.4493 CC1(CC2=C(C=C(C=C2)Br)CN1)C Z5178963583 [0,1,0,1,0,0|1,0,0]=3 630 B14R2.4493 CC1(CCC2=C(O1)C=CC(=C2)O)C Z1513804591 [0,1,0,1,0,0|2,0,0]=4 631 B10R1.13 CC(=O)C1=CC=C(C=C1)O Z57040434 [1,0,0,0,1,0|1,0,1]=4 632 B10R1.13 CC(C)C1=CC=C(C=C1)Br Z732229746 [1,0,0,0,1,0|1,0,0]=3 633 B10R1.13 CC(C)C1=CC=C(C=C1)Cl Z1255372793 [1,0,0,0,1,0|1,0,0]=3 634 B10R1.13 CC(C)C1=CC=C(C=C1)N Z104476320 [1,0,0,0,1,0|1,0,0]=3 635 B10R1.13 CC(C)C1=CC=C(C=C1)O Z56347200 [1,0,0,0,1,0|0,0,0]=2 636 B10R1.13 CC(N)C1=CC=C(C=C1)Br Z56347162 [1,0,0,0,1,0|1,0,0]=3 637 B10R1.13 CC(N)C1=CC=C(C=C1)Cl Z56347112 [1,0,0,0,1,0|1,0,0]=3 638 B10R1.13 CC(N)C1=CC=C(C=C1)O Z1741968989 [1,0,0,0,1,0|0,0,0]=2 639 B10R1.13 CC(N)C1=CN=C(C=C1)O Z4423361180 [1,0,0,0,1,0|1,0,0]=3 640 B10R1.13 CC(O)C1=CC=C(C=C1)Br Z335244904 [1,0,0,0,1,0|2,0,0]=4 641 B10R1.13 CC(O)C1=CC=C(C=C1)Cl Z104479788 [1,0,0,0,1,0|2,0,0]=4 642 B10R1.13 CC(O)C1=CC=C(C=C1)F Z56347219 [1,0,0,0,1,0|2,0,0]=4 643 B10R1.13 CC(O)C1=CC=C(C=C1)I Z228586282 [1,0,0,0,1,0|2,0,0]=4 644 B10R1.13 CC1=CC=C(C=C1)C(C)C Z104497772 [1,0,0,0,1,0|1,0,0]=3 645 B10R1.13 CC1=CC=C(C=C1)[C@@H](C)O Z1127664396 [1,0,0,0,1,0|2,0,0]=4 646 B10R1.13 CC1=CC=C(C=C1)[C@H](C)O Z1127664278 [1,0,0,0,1,0|2,0,0]=4 647 B10R1.13 CN(C)C1=CC=C(C=C1)O Z137981254 [1,0,0,0,1,0|1,0,0]=3 648 B10R1.13 C[C@@H](O)C1=CC=C(C=C1)Br Z850973968 [1,0,0,0,1,0|2,0,0]=4 649 B10R1.13 C[C@@H](O)C1=CC=C(C=C1)I Z360055808 [1,0,0,0,1,0|2,0,0]=4 650 B10R1.13 C[C@H](N)C1=CC=C(C=C1)Br Z1869802525 [1,0,0,0,1,0|1,0,0]=3 651 B10R1.13 C[C@H](N)C1=CC=C(C=C1)I Z1696091699 [1,0,0,0,1,0|1,0,0]=3 652 B10R1.13 C[C@H](N)C1=CC=C(C=C1)O Z3183546879 [1,0,0,0,1,0|0,0,0]=2 653 B10R1.13 C[C@H](N)C1=NC=C(C=C1)Cl Z1753033020 [1,0,0,0,1,0|2,0,0]=4 654 B10R1.13 C[C@H](O)C1=CC=C(C=C1)Br Z850973970 [1,0,0,0,1,0|2,0,0]=4 655 B10R1.13 C[C@H](O)C1=CC=C(C=C1)I Z360055806 [1,0,0,0,1,0|2,0,0]=4 656 B10R1.13 N=C(N)C1=CC=C(C=C1)O Z1262398570 [1,0,0,0,1,0|1,0,1]=4 657 B10R1.13 NC(=O)C1=CC=C(C=C1)O Z104502228 [1,0,0,0,1,0|1,0,1]=4 658 B10R1.13 NC(=S)C1=CC=C(C=C1)O Z90124534 [1,0,0,0,1,0|1,0,1]=4 659 B10R1.54 CC1=CC=C(S1)CC(C)N Z381678020 [1,0,0,0,1,0|2,0,0]=4 660 B10R1.15 CC(C=O)C1=CC=CC=C1 Z104495674 [1,0,0,0,1,0|2,0,0]=4 661 B10R1.15 CC(CBr)C1=CC=CC=C1 Z756118300 [1,0,0,0,1,0|2,0,0]=4 662 B10R1.15 CCC(N)C1=CC=CC=C1 Z1262252904 [1,0,0,0,1,0|2,0,0]=4 663 B10R1.15 CCC(O)C1=CC=CC=C1 Z335245178 [1,0,0,0,1,0|2,0,0]=4 664 B10R1.15 CNC(=N)C1=CC=CC=C1 Z2096088186 [1,0,0,0,1,0|1,0,1]=4 665 B10R1.15 CNC(=O)C1=CC=CC=C1 Z32016410 [1,0,0,0,1,0|1,0,1]=4 666 B10R1.15 CNC(C)C1=CC=CC=C1 Z85917524 [1,0,0,0,1,0|0,0,0]=2 667 B10R1.15 CNC(C)C1=CN=CC=C1 Z451350188 [1,0,0,0,1,0|1,0,0]=3 668 B10R1.15 CNC(C)C1=NC=CC=C1 Z451350194 [1,0,0,0,1,0|1,0,0]=3 669 B10R1.15 C[C@H](CN)C1=CC=CC=C1 Z1203578128 [1,0,0,0,1,0|2,0,0]=4 670 B10R1.27 CNC(C)CC1=CNN=C1 Z5095434431 [1,0,0,0,1,0|2,0,0]=4 671 B10R1.27 CNC(C)CC1=CSC=C1 Z1333043374 [1,0,0,0,1,0|1,0,0]=3 672 B10R1.14 CNC(C)C1=CC=C(S1)C Z594413646 [0,0,0,0,2,0|2,0,0]=4 673 B12R1.27 CC(C=O)CCC1=CC=CC=C1 Z1238838034 [1,0,0,0,0,1|2,0,0]=4 674 B12R1.27 CC(CO)COC1=CC=CC=C1 Z1255385347 [1,0,0,0,0,1|2,0,0]=4 675 B12R1.27 CC(CO)OCC1=CC=CC=C1 Z1492906786 [1,0,0,0,0,1|2,0,0]=4 676 B12R1.27 CC(COC1=CC=CC=C1)NN Z2286637842 [1,0,0,0,0,1|1,0,0]=3 677 B12R1.27 CCC(C)NCC1=CC=CC=C1 Z57981002 [1,0,0,0,0,1|1,0,0]=3 678 B12R1.27 CCC(N)CCC1=CC=CC=C1 Z406453862 [1,0,0,0,0,1|2,0,0]=4 679 B12R1.27 CCC(N)CNC1=CC=CC=C1 Z756919558 [1,0,0,0,0,1|2,0,0]=4 680 B12R1.27 CCC(N)CSC1=CC=CC=C1 Z1238715197 [1,0,0,0,0,1|2,0,0]=4 681 B12R1.27 CCC(O)CNC1=CC=CC=C1 Z600449702 [1,0,0,0,0,1|2,0,0]=4 682 B12R1.27 CNC(=O)CCC1=CC=CC=C1 Z32016418 [1,0,0,0,0,1|1,0,1]=4 683 B12R1.27 CNC(=O)COC1=CC=CC=C1 Z19735428 [1,0,0,0,0,1|1,0,1]=4 684 B12R1.27 CNC(=O)CSC1=CC=CC=C1 Z19750829 [1,0,0,0,0,1|1,0,1]=4 685 B12R1.27 CNC(=O)OCC1=CC=CC=C1 Z32016983 [1,0,0,0,0,1|1,0,1]=4 686 B12R1.27 C[C@H](CO)NCC1=CC=CC=C1 Z823499606 [1,0,0,0,0,1|2,0,0]=4