0 B11R1.1 BrCCOC1=CC=C(C=C1)Br Z56887702 [0,0,0,0,0,0|4,0,0]=4 1 B11R1.1 C=CCOC1=CC=C(C=C1)O Z381414818 [0,0,0,0,0,0|2,0,2]=4 2 B11R1.1 CC1=CC=C(C=C1)CCCN Z4639316723 [0,0,0,0,0,0|3,0,0]=3 3 B11R1.1 CC1=CC=C(C=C1)OCCBr Z56886357 [0,0,0,0,0,0|4,0,0]=4 4 B11R1.1 CC1=CC=C(C=C1)OCCN Z54747869 [0,0,0,0,0,0|4,0,0]=4 5 B11R1.1 CC1=CC=C(C=C1)SCCCl Z90122598 [0,0,0,0,0,0|4,0,0]=4 6 B11R1.1 CC1=CC=C(C=C1)SCCO Z149178580 [0,0,0,0,0,0|4,0,0]=4 7 B11R1.1 CCCCC1=CC=C(C=C1)N Z104475500 [0,0,0,0,0,0|2,0,0]=2 8 B11R1.1 CCCCC1=CN=C(N=C1)N Z1137168332 [0,0,0,0,0,0|4,0,0]=4 9 B11R1.1 CCCCC1=NC=C(C=N1)N Z1318447164 [0,0,0,0,0,0|4,0,0]=4 10 B11R1.1 CCCNC1=CC=C(C=C1)Cl Z1266933829 [0,0,0,0,0,0|3,0,0]=3 11 B11R1.1 CCCOC1=CC=C(C=C1)N Z239604724 [0,0,0,0,0,0|3,0,0]=3 12 B11R1.1 CCNCC1=CC=C(C=C1)F Z3244655509 [0,0,0,0,0,0|2,0,0]=2 13 B11R1.1 CCOCC1=CC=C(C=C1)Br Z823854370 [0,0,0,0,0,0|1,0,0]=1 14 B11R1.1 CCOCC1=CC=C(C=C1)N Z240084570 [0,0,0,0,0,0|1,0,0]=1 15 B11R1.1 CCSCC1=CC=C(C=C1)N Z332378208 [0,0,0,0,0,0|1,1,0]=2 16 B11R1.1 CNCCC1=CC=C(C=C1)Br Z385447024 [0,0,0,0,0,0|3,0,0]=3 17 B11R1.1 CNCCC1=CC=C(C=C1)C Z5115849578 [0,0,0,0,0,0|3,0,0]=3 18 B11R1.1 CNCCC1=CC=C(C=C1)Cl Z1623872266 [0,0,0,0,0,0|3,0,0]=3 19 B11R1.1 CNCCC1=CC=C(C=C1)F Z138454998 [0,0,0,0,0,0|3,0,0]=3 20 B11R1.1 COCCC1=CC=C(C=C1)Br Z299596190 [0,0,0,0,0,0|3,0,0]=3 21 B11R1.1 COCCC1=CC=C(C=C1)Cl Z1470894103 [0,0,0,0,0,0|3,0,0]=3 22 B11R1.1 COCCC1=CC=C(C=C1)O Z104485614 [0,0,0,0,0,0|2,0,0]=2 23 B11R1.1 COCOC1=CC=C(C=C1)N Z1259226853 [0,0,0,0,0,0|4,0,0]=4 24 B11R1.1 CSCCC1=CC=C(C=C1)N Z732207426 [0,0,0,0,0,0|3,0,0]=3 25 B11R1.1 ClC1=CC=C(C=C1)OCCBr Z56926557 [0,0,0,0,0,0|4,0,0]=4 26 B11R1.1 ClCCSC1=CC=C(C=C1)Cl Z55993025 [0,0,0,0,0,0|4,0,0]=4 27 B11R1.1 FC1=CC=C(C=C1)CN=C=S Z57358375 [0,0,0,0,0,0|3,0,1]=4 28 B11R1.1 FCCOC1=CC=C(C=C1)Br Z1269166672 [0,0,0,0,0,0|4,0,0]=4 29 B11R1.1 N#CCCC1=CC=C(C=C1)N Z4750298565 [0,0,0,0,0,0|3,0,1]=4 30 B11R1.1 NC/C=C/C1=CC=C(C=C1)Br Z2235681463 [0,0,0,0,0,0|3,0,1]=4 31 B11R1.1 NC1=CC=C(C=C1)OCCF Z1262631146 [0,0,0,0,0,0|4,0,0]=4 32 B11R1.1 NC1=CC=C(C=C1)OCCO Z332379386 [0,0,0,0,0,0|4,0,0]=4 33 B11R1.1 NCC#CC1=CC=C(C=C1)I Z4775597113 [0,0,0,0,0,0|3,0,1]=4 34 B11R1.1 NCCCC1=CC=C(C=C1)Br Z3980240042 [0,0,0,0,0,0|3,0,0]=3 35 B11R1.1 NCCCC1=CC=C(C=C1)Cl Z992716848 [0,0,0,0,0,0|3,0,0]=3 36 B11R1.1 NCCCC1=CC=C(C=C1)F Z3244753845 [0,0,0,0,0,0|3,0,0]=3 37 B11R1.1 NCCCC1=CC=C(C=C1)N Z5453008768 [0,0,0,0,0,0|3,0,0]=3 38 B11R1.1 NCCCC1=CC=C(C=C1)O Z1270210797 [0,0,0,0,0,0|2,0,0]=2 39 B11R1.1 NCCNC1=CC=C(C=C1)O Z3386315806 [0,0,0,0,0,0|3,0,0]=3 40 B11R1.1 NCCOC1=CC=C(C=C1)Br Z1262237188 [0,0,0,0,0,0|4,0,0]=4 41 B11R1.1 NCCOC1=CC=C(C=C1)Cl Z85957193 [0,0,0,0,0,0|4,0,0]=4 42 B11R1.1 NCCOC1=CC=C(C=C1)F Z87000937 [0,0,0,0,0,0|4,0,0]=4 43 B11R1.1 NCCOC1=CC=C(C=C1)I Z381428104 [0,0,0,0,0,0|4,0,0]=4 44 B11R1.1 NCCSC1=CC=C(C=C1)Br Z262221984 [0,0,0,0,0,0|4,0,0]=4 45 B11R1.1 NCCSC1=CC=C(C=C1)Cl Z54751093 [0,0,0,0,0,0|4,0,0]=4 46 B11R1.1 NCCSC1=CC=C(C=C1)F Z1267773811 [0,0,0,0,0,0|4,0,0]=4 47 B11R1.1 O=CCCC1=CC=C(C=C1)Br Z993017756 [0,0,0,0,0,0|3,0,1]=4 48 B11R1.1 O=CCCC1=CC=C(C=C1)Cl Z993017742 [0,0,0,0,0,0|3,0,1]=4 49 B11R1.1 O=CCCC1=CC=C(C=C1)F Z993017748 [0,0,0,0,0,0|3,0,1]=4 50 B11R1.1 OC/C=C/C1=CC=C(C=C1)O Z2235811101 [0,0,0,0,0,0|2,0,1]=3 51 B11R1.1 OCC#CC1=CC=C(C=C1)Cl Z540350074 [0,0,0,0,0,0|3,0,1]=4 52 B11R1.1 OCCCC1=CC=C(C=C1)F Z992949550 [0,0,0,0,0,0|3,0,0]=3 53 B11R1.1 OCCNC1=CC=C(C=C1)Br Z335275406 [0,0,0,0,0,0|4,0,0]=4 54 B11R1.1 OCCOC1=CC=C(C=C1)Br Z335092354 [0,0,0,0,0,0|4,0,0]=4 55 B11R1.1 OCCOC1=CC=C(C=C1)O Z381414946 [0,0,0,0,0,0|3,0,0]=3 56 B11R1.1 OCCSC1=CC=C(C=C1)Br Z149190682 [0,0,0,0,0,0|4,0,0]=4 57 B11R1.1 OCCSC1=CC=C(C=C1)Cl Z149162370 [0,0,0,0,0,0|4,0,0]=4 58 B10R1.1 CC1=CC=C(C=C1)CC#N Z285131444 [1,0,0,0,0,0|2,0,1]=4 59 B10R1.1 CC1=CC=C(C=C1)CC=O Z993017610 [1,0,0,0,0,0|2,0,1]=4 60 B10R1.1 CC1=CC=C(C=C1)CCN Z1268153218 [1,0,0,0,0,0|2,0,0]=3 61 B10R1.1 CC1=CC=C(C=C1)CCO Z397587076 [1,0,0,0,0,0|2,0,0]=3 62 B10R1.1 CC1=NC=C(C=C1)CCN Z600584220 [1,0,0,0,0,0|3,0,0]=4 63 B10R1.1 CCCC1=CC=C(C=C1)Br Z299596168 [1,0,0,0,0,0|1,0,0]=2 64 B10R1.1 CCCC1=CC=C(C=C1)N Z104492166 [1,0,0,0,0,0|1,0,0]=2 65 B10R1.1 CCNC1=CC=C(C=C1)Br Z286365048 [1,0,0,0,0,0|2,0,0]=3 66 B10R1.1 CCNC1=CC=C(C=C1)Cl Z2902298062 [1,0,0,0,0,0|2,0,0]=3 67 B10R1.1 CCNC1=CC=C(C=C1)F Z89270849 [1,0,0,0,0,0|2,0,0]=3 68 B10R1.1 CCNC1=CC=C(C=C1)N Z359511474 [1,0,0,0,0,0|2,0,0]=3 69 B10R1.1 CCNC1=CC=C(C=C1)O Z1823256830 [1,0,0,0,0,0|1,0,0]=2 70 B10R1.1 CCNC1=CNC(=O)C=C1 Z5871830340 [1,0,0,0,0,0|2,0,1]=4 71 B10R1.1 CCNC1=NC=C(C=C1)Br Z359297778 [1,0,0,0,0,0|3,0,0]=4 72 B10R1.1 CCNC1=NC=C(C=C1)I Z2233927789 [1,0,0,0,0,0|3,0,0]=4 73 B10R1.1 CCOC1=CC=C(C=C1)C Z53834228 [1,0,0,0,0,0|1,0,0]=2 74 B10R1.1 CCOC1=CC=C(C=C1)N Z57127438 [1,0,0,0,0,0|1,0,0]=2 75 B10R1.1 CCOC1=CC=C(C=C1)S Z166646982 [1,0,0,0,0,0|0,1,0]=2 76 B10R1.1 CCOC1=NC=C(C=C1)N Z240084310 [1,0,0,0,0,0|2,0,0]=3 77 B10R1.1 CCOC1=NC=C(C=N1)Cl Z1222423631 [1,0,0,0,0,0|3,0,0]=4 78 B10R1.1 CCOC1=NN=C(C=C1)Cl Z291235530 [1,0,0,0,0,0|3,0,0]=4 79 B10R1.1 CCSC1=NC=C(C=C1)Br Z742922262 [1,0,0,0,0,0|2,1,0]=4 80 B10R1.1 CCSC1=NC=C(C=C1)N Z332377604 [1,0,0,0,0,0|2,1,0]=4 81 B10R1.1 CNCC1=CC=C(C=C1)Br Z56175269 [1,0,0,0,0,0|2,0,0]=3 82 B10R1.1 CNCC1=CC=C(C=C1)C Z56944115 [1,0,0,0,0,0|2,0,0]=3 83 B10R1.1 CNCC1=CC=C(C=C1)Cl Z56956070 [1,0,0,0,0,0|2,0,0]=3 84 B10R1.1 CNCC1=CC=C(C=C1)F Z56963340 [1,0,0,0,0,0|2,0,0]=3 85 B10R1.1 CNCC1=CC=C(C=C1)I Z4242747560 [1,0,0,0,0,0|2,0,0]=3 86 B10R1.1 CNCC1=CN=C(C=C1)Cl Z265498862 [1,0,0,0,0,0|3,0,0]=4 87 B10R1.1 CNCC1=CN=C(C=C1)F Z1745074466 [1,0,0,0,0,0|3,0,0]=4 88 B10R1.1 CNCC1=CN=C(C=C1)N Z1255388567 [1,0,0,0,0,0|3,0,0]=4 89 B10R1.1 CNCC1=NC=C(C=C1)Br Z5436471179 [1,0,0,0,0,0|3,0,0]=4 90 B10R1.1 CNCC1=NC=C(C=C1)C Z1255425232 [1,0,0,0,0,0|3,0,0]=4 91 B10R1.1 COCC1=CC=C(C=C1)N Z240084568 [1,0,0,0,0,0|1,0,0]=2 92 B10R1.1 COCC1=NC=C(C=N1)N Z825741952 [1,0,0,0,0,0|3,0,0]=4 93 B10R1.1 CSCC1=CC=C(C=C1)Br Z19854469 [1,0,0,0,0,0|1,1,0]=3 94 B10R1.1 CSCC1=CC=C(C=C1)N Z732207336 [1,0,0,0,0,0|1,1,0]=3 95 B10R1.1 CSCC1=CN=C(C=C1)Cl Z732206922 [1,0,0,0,0,0|2,1,0]=4 96 B10R1.1 N#CCC1=CC=C(C=C1)F Z89283961 [1,0,0,0,0,0|2,0,1]=4 97 B10R1.1 N#CCC1=CC=C(C=C1)N Z90122117 [1,0,0,0,0,0|2,0,1]=4 98 B10R1.1 N#CCC1=CC=C(C=C1)O Z90120144 [1,0,0,0,0,0|1,0,1]=3 99 B10R1.1 NC1=CC=C(C=C1)CCO Z276600190 [1,0,0,0,0,0|2,0,0]=3 100 B10R1.1 NC1=CN=C(C=C1)CCO Z1898597735 [1,0,0,0,0,0|3,0,0]=4 101 B10R1.1 NCCC1=CC=C(C=C1)Br Z285143750 [1,0,0,0,0,0|2,0,0]=3 102 B10R1.1 NCCC1=CC=C(C=C1)Cl Z57051065 [1,0,0,0,0,0|2,0,0]=3 103 B10R1.1 NCCC1=CC=C(C=C1)F Z90122126 [1,0,0,0,0,0|2,0,0]=3 104 B10R1.1 NCCC1=CC=C(C=C1)I Z2515133713 [1,0,0,0,0,0|2,0,0]=3 105 B10R1.1 NCCC1=CC=C(C=C1)O Z744729058 [1,0,0,0,0,0|1,0,0]=2 106 B10R1.1 NCCC1=CN=C(C=C1)Cl Z1198178633 [1,0,0,0,0,0|3,0,0]=4 107 B10R1.1 NCCC1=CN=C(N=C1)O Z2725055726 [1,0,0,0,0,0|3,0,0]=4 108 B10R1.1 NCCC1=NC=C(C=C1)F Z2238508662 [1,0,0,0,0,0|3,0,0]=4 109 B10R1.1 NCCC1=NC=C(C=C1)O Z2350909287 [1,0,0,0,0,0|2,0,0]=3 110 B10R1.1 NOCC1=CC=C(C=C1)Cl Z1198164677 [1,0,0,0,0,0|2,0,0]=3 111 B10R1.1 O/N=C/C1=CC=C(C=C1)O Z49568314 [1,0,0,0,0,0|2,0,1]=4 112 B10R1.1 O=CCC1=CC=C(C=C1)Br Z1079442512 [1,0,0,0,0,0|2,0,1]=4 113 B10R1.1 O=CCC1=CC=C(C=C1)Cl Z993017718 [1,0,0,0,0,0|2,0,1]=4 114 B10R1.1 O=CCC1=CC=C(C=C1)F Z993017752 [1,0,0,0,0,0|2,0,1]=4 115 B10R1.1 O=CNC1=CC=C(C=C1)O Z87002541 [1,0,0,0,0,0|2,0,1]=4 116 B10R1.1 OCCC1=CC=C(C=C1)Br Z397587340 [1,0,0,0,0,0|2,0,0]=3 117 B10R1.1 OCCC1=CC=C(C=C1)F Z397587326 [1,0,0,0,0,0|2,0,0]=3 118 B10R1.1 OCCC1=CC=C(C=C1)O Z1250886919 [1,0,0,0,0,0|1,0,0]=2 119 B10R1.17 BrCCOC1=CC=CC=C1 Z56950513 [1,0,0,0,0,0|3,0,0]=4 120 B10R1.17 CCCCC1=CC=CC=C1 Z104492496 [1,0,0,0,0,0|1,0,0]=2 121 B10R1.17 CCCNC1=CN=CC=C1 Z334882412 [1,0,0,0,0,0|3,0,0]=4 122 B10R1.17 CCNCC1=CC=CC=C1 Z57327176 [1,0,0,0,0,0|1,0,0]=2 123 B10R1.17 CCNCC1=CC=NC=C1 Z57327181 [1,0,0,0,0,0|2,0,0]=3 124 B10R1.17 CCNCC1=NC=CC=C1 Z90513146 [1,0,0,0,0,0|2,0,0]=3 125 B10R1.17 CCSCC1=NC=CC=C1 Z1607601848 [1,0,0,0,0,0|1,1,0]=3 126 B10R1.17 CNCCC1=CC=CC=C1 Z445226260 [1,0,0,0,0,0|2,0,0]=3 127 B10R1.17 CNCCC1=CC=NC=C1 Z235580560 [1,0,0,0,0,0|3,0,0]=4 128 B10R1.17 CNCCC1=CN=CC=C1 Z2418466818 [1,0,0,0,0,0|3,0,0]=4 129 B10R1.17 CNCCC1=NC=CC=C1 Z2238930991 [1,0,0,0,0,0|3,0,0]=4 130 B10R1.17 COCCC1=CC=CC=C1 Z104494216 [1,0,0,0,0,0|2,0,0]=3 131 B10R1.17 N#CCCC1=CC=CC=C1 Z104507980 [1,0,0,0,0,0|2,0,1]=4 132 B10R1.17 NC/C=C/C1=CC=CC=C1 Z2953771905 [1,0,0,0,0,0|2,0,1]=4 133 B10R1.17 NCC#CC1=CC=CC=C1 Z227964210 [1,0,0,0,0,0|2,0,1]=4 134 B10R1.17 NCCCC1=CC=CC=C1 Z104478312 [1,0,0,0,0,0|2,0,0]=3 135 B10R1.17 NCCCC1=CN=CC=C1 Z3058301115 [1,0,0,0,0,0|3,0,0]=4 136 B10R1.17 NCCCC1=NC=CC=C1 Z600381818 [1,0,0,0,0,0|3,0,0]=4 137 B10R1.17 NCCOC1=CC=CC=C1 Z355423232 [1,0,0,0,0,0|3,0,0]=4 138 B10R1.17 NCCSC1=CC=CC=C1 Z57970213 [1,0,0,0,0,0|3,0,0]=4 139 B10R1.17 NNCCC1=CC=CC=C1 Z927192062 [1,0,0,0,0,0|3,0,0]=4 140 B10R1.17 O=CCCC1=CC=CC=C1 Z87002472 [1,0,0,0,0,0|2,0,1]=4 141 B10R1.17 O=CNCC1=CC=CC=C1 Z1203730748 [1,0,0,0,0,0|2,0,1]=4 142 B10R1.17 OC/C=C/C1=CC=CC=C1 Z104473562 [1,0,0,0,0,0|2,0,1]=4 143 B10R1.17 OCCCC1=CC=CC=C1 Z104476660 [1,0,0,0,0,0|2,0,0]=3 144 B10R1.17 OCCCC1=CC=NC=C1 Z104475752 [1,0,0,0,0,0|3,0,0]=4 145 B10R1.17 OCCCC1=CN=CC=C1 Z104479004 [1,0,0,0,0,0|3,0,0]=4 146 B10R1.17 OCCOC1=CC=CC=C1 Z104473570 [1,0,0,0,0,0|3,0,0]=4 147 B10R1.17 OCCSC1=CC=CC=C1 Z149157348 [1,0,0,0,0,0|3,0,0]=4 148 B10R1.17 S=C=NCC1=CC=CC=C1 Z56869309 [1,0,0,0,0,0|2,0,1]=4 149 B12R1.1 C#CCNCC1=CC=C(C=C1)C Z857666950 [0,1,0,0,0,0|2,0,1]=4 150 B12R1.1 C#CCNCC1=CC=C(C=C1)F Z951367660 [0,1,0,0,0,0|2,0,1]=4 151 B12R1.1 CC1=CC=C(C=C1)CNCCO Z57328136 [0,1,0,0,0,0|2,0,0]=3 152 B12R1.1 CC1=CC=C(C=C1)OCCCN Z285166764 [0,1,0,0,0,0|3,0,0]=4 153 B12R1.1 CCCCOC1=CC=C(C=C1)O Z381414690 [0,1,0,0,0,0|1,0,0]=2 154 B12R1.1 CCCCOC1=NC=C(C=C1)N Z409191158 [0,1,0,0,0,0|3,0,0]=4 155 B12R1.1 CCCNCC1=CC=C(C=C1)F Z57065603 [0,1,0,0,0,0|2,0,0]=3 156 B12R1.1 CNC/C=C/C1=CC=C(C=C1)Br Z1834223589 [0,1,0,0,0,0|2,0,1]=4 157 B12R1.1 CNCCOC1=CC=C(C=C1)Br Z55993065 [0,1,0,0,0,0|3,0,0]=4 158 B12R1.1 CNCCOC1=CC=C(C=C1)C Z138105388 [0,1,0,0,0,0|3,0,0]=4 159 B12R1.1 CNCCOC1=CC=C(C=C1)Cl Z56963344 [0,1,0,0,0,0|3,0,0]=4 160 B12R1.1 CNCCOC1=CC=C(C=C1)F Z138105420 [0,1,0,0,0,0|3,0,0]=4 161 B12R1.1 CNCCOC1=CC=C(C=C1)O Z1209979801 [0,1,0,0,0,0|2,0,0]=3 162 B12R1.1 COCCNC1=CC=C(C=C1)N Z812516870 [0,1,0,0,0,0|3,0,0]=4 163 B12R1.1 COCCOC1=CC=C(C=C1)Br Z167838728 [0,1,0,0,0,0|3,0,0]=4 164 B12R1.1 COCCOC1=CC=C(C=C1)F Z285938284 [0,1,0,0,0,0|3,0,0]=4 165 B12R1.1 COCCOC1=CC=C(C=C1)O Z381414750 [0,1,0,0,0,0|2,0,0]=3 166 B12R1.1 COCCOC1=CC=C(C=C1)S Z1689885585 [0,1,0,0,0,0|2,1,0]=4 167 B12R1.1 COCCSC1=CC=C(C=C1)N Z412014166 [0,1,0,0,0,0|3,0,0]=4 168 B12R1.1 CSCCOC1=CC=C(C=C1)I Z54518503 [0,1,0,0,0,0|3,0,0]=4 169 B12R1.1 ClC1=CC=C(C=C1)OCCCBr Z90122426 [0,1,0,0,0,0|3,0,0]=4 170 B12R1.1 FC1=CC=C(C=C1)OCCCBr Z90122147 [0,1,0,0,0,0|3,0,0]=4 171 B12R1.1 FC1=CC=C(C=C1)OCCCCl Z56347250 [0,1,0,0,0,0|3,0,0]=4 172 B12R1.1 N#CCSCC1=CC=C(C=C1)Cl Z18433100 [0,1,0,0,0,0|1,1,1]=4 173 B12R1.1 NC1=CC=C(C=C1)CCCCO Z1262622677 [0,1,0,0,0,0|2,0,0]=3 174 B12R1.1 NC1=CC=C(C=C1)COCCO Z332379572 [0,1,0,0,0,0|1,0,0]=2 175 B12R1.1 NC1=CC=C(C=C1)OCCCO Z382707186 [0,1,0,0,0,0|3,0,0]=4 176 B12R1.1 NC1=CC=C(C=C1)SCCCO Z412012390 [0,1,0,0,0,0|3,0,0]=4 177 B12R1.1 NCC/C=C/C1=CC=C(C=C1)Br Z2651620817 [0,1,0,0,0,0|2,0,1]=4 178 B12R1.1 NCCCCC1=CC=C(C=C1)Br Z5880376049 [0,1,0,0,0,0|2,0,0]=3 179 B12R1.1 NCCCCC1=CC=C(C=C1)Cl Z3234944947 [0,1,0,0,0,0|2,0,0]=3 180 B12R1.1 NCCCOC1=CC=C(C=C1)F Z271006096 [0,1,0,0,0,0|3,0,0]=4 181 B12R1.1 NCCCSC1=CC=C(C=C1)F Z56988241 [0,1,0,0,0,0|3,0,0]=4 182 B12R1.1 NCCOCC1=CC=C(C=C1)Cl Z1511495255 [0,1,0,0,0,0|1,0,0]=2 183 B12R1.1 NCCSCC1=CC=C(C=C1)Cl Z1891773800 [0,1,0,0,0,0|1,1,0]=3 184 B12R1.1 NCCSCC1=CN=C(C=C1)Cl Z406685558 [0,1,0,0,0,0|2,1,0]=4 185 B12R1.1 OC1=CC=C(C=C1)SC/C=C/Cl Z733876456 [0,1,0,0,0,0|2,0,1]=4 186 B12R1.1 OCCCNC1=CC=C(C=C1)Cl Z104647680 [0,1,0,0,0,0|3,0,0]=4 187 B12R1.1 OCCCOC1=CC=C(C=C1)Br Z425795726 [0,1,0,0,0,0|3,0,0]=4 188 B12R1.1 OCCCOC1=CC=C(C=C1)F Z228585902 [0,1,0,0,0,0|3,0,0]=4 189 B12R1.1 OCCNCC1=CC=C(C=C1)F Z3225797537 [0,1,0,0,0,0|2,0,0]=3 190 B12R1.16 CCCC(=O)C1=CC=C(C=C1)Cl Z104483624 [0,1,0,0,0,0|2,0,1]=4 191 B12R1.16 CCCC(N)C1=CC=C(C=C1)Cl Z1416203204 [0,1,0,0,0,0|2,0,0]=3 192 B12R1.16 CCNC(=O)C1=CC=C(C=C1)I Z30281227 [0,1,0,0,0,0|2,0,1]=4 193 B12R1.16 CCNC(=O)C1=CC=C(C=C1)N Z239124802 [0,1,0,0,0,0|2,0,1]=4 194 B12R1.16 CCNC(=O)C1=CC=C(C=C1)O Z183861716 [0,1,0,0,0,0|1,0,1]=3 195 B12R1.16 CCNC(C)C1=CC=C(C=C1)F Z451452334 [0,1,0,0,0,0|2,0,0]=3 196 B12R1.16 CCOC(=O)C1=CC=C(C=C1)N Z54178706 [0,1,0,0,0,0|1,0,1]=3 197 B12R1.16 CCOC(=O)C1=CC=C(C=C1)O Z53833636 [0,1,0,0,0,0|0,0,1]=2 198 B12R1.16 CCOC(=O)C1=CN=C(C=C1)Cl Z53836175 [0,1,0,0,0,0|2,0,1]=4 199 B12R1.16 CCOC(=O)C1=CN=C(C=C1)S Z271138134 [0,1,0,0,0,0|1,1,1]=4 200 B12R1.16 CCOC(=O)C1=NC=C(C=C1)N Z1198222817 [0,1,0,0,0,0|2,0,1]=4 201 B12R1.16 CCOC(=O)C1=NC=C(N=C1)O Z3235030224 [0,1,0,0,0,0|2,0,1]=4 202 B12R1.16 CNCC(O)C1=CC=C(C=C1)F Z1263820285 [0,1,0,0,0,0|3,0,0]=4 203 B12R1.16 COCC(N)C1=CC=C(C=C1)F Z1297772361 [0,1,0,0,0,0|3,0,0]=4 204 B12R1.16 NC(CCO)C1=CC=C(C=C1)Br Z979743656 [0,1,0,0,0,0|3,0,0]=4 205 B12R1.16 NC(CCO)C1=CC=C(C=C1)F Z979743658 [0,1,0,0,0,0|3,0,0]=4 206 B12R1.21 CC(=O)CCC1=CC=C(C=C1)C Z406376788 [0,1,0,0,0,0|2,0,1]=4 207 B12R1.21 CC(=O)CCC1=CC=C(C=C1)F Z406376784 [0,1,0,0,0,0|2,0,1]=4 208 B12R1.21 CC(=O)CCC1=CC=C(C=C1)I Z1263632422 [0,1,0,0,0,0|2,0,1]=4 209 B12R1.21 CC(=O)NCC1=CC=C(C=C1)Br Z816034502 [0,1,0,0,0,0|2,0,1]=4 210 B12R1.21 CC(=O)NCC1=CC=C(C=C1)N Z600391558 [0,1,0,0,0,0|2,0,1]=4 211 B12R1.21 CC(C)CCC1=CC=C(C=C1)N Z424736042 [0,1,0,0,0,0|2,0,0]=3 212 B12R1.21 CC(C)CNC1=CC=C(C=C1)Cl Z1695729058 [0,1,0,0,0,0|3,0,0]=4 213 B12R1.21 CC(C)COC1=CC=C(C=C1)O Z381414742 [0,1,0,0,0,0|2,0,0]=3 214 B12R1.21 CC(C)NCC1=CC=C(C=C1)Br Z86129856 [0,1,0,0,0,0|2,0,0]=3 215 B12R1.21 CC(C)NCC1=CC=C(C=C1)F Z86129862 [0,1,0,0,0,0|2,0,0]=3 216 B12R1.21 CC(C)OCC1=CC=C(C=C1)Br Z823855528 [0,1,0,0,0,0|1,0,0]=2 217 B12R1.21 CC(C)OCC1=CC=C(C=C1)N Z285178068 [0,1,0,0,0,0|1,0,0]=2 218 B12R1.21 CC(C)SCC1=CC=C(C=C1)Br Z54548572 [0,1,0,0,0,0|1,1,0]=3 219 B12R1.21 CC(N)CCC1=CC=C(C=C1)Br Z235361851 [0,1,0,0,0,0|2,0,0]=3 220 B12R1.21 CC(N)CCC1=CC=C(C=C1)I Z1947443961 [0,1,0,0,0,0|2,0,0]=3 221 B12R1.21 CC(N)CCC1=CC=C(C=C1)O Z220327456 [0,1,0,0,0,0|1,0,0]=2 222 B12R1.21 CC(N)COC1=CC=C(C=C1)F Z271017038 [0,1,0,0,0,0|3,0,0]=4 223 B12R1.21 CC(O)CCC1=CC=C(C=C1)O Z57921369 [0,1,0,0,0,0|1,0,0]=2 224 B12R1.21 CC1=CC=C(C=C1)NCC(C)C Z334955606 [0,1,0,0,0,0|3,0,0]=4 225 B12R1.21 CC1=CC=C(C=C1)OCC(C)N Z285166960 [0,1,0,0,0,0|3,0,0]=4 226 B12R1.21 CC1=CC=C(C=C1)SCC(C)N Z1238717325 [0,1,0,0,0,0|3,0,0]=4 227 B12R1.21 CN(C)CCC1=CC=C(C=C1)Br Z2335774813 [0,1,0,0,0,0|3,0,0]=4 228 B12R1.21 CN(C)CCC1=CC=C(C=C1)N Z335289246 [0,1,0,0,0,0|3,0,0]=4 229 B12R1.21 O=C(O)CCC1=CC=C(C=C1)O Z317038012 [0,1,0,0,0,0|2,0,1]=4 230 B12R1.49 CC1=CC=C(C=C1)CC(=O)CCl Z316174762 [0,1,0,0,0,0|3,0,0]=4 231 B12R1.49 CC1=CC=C(C=C1)CC(N)CO Z1800620539 [0,1,0,0,0,0|3,0,0]=4 232 B12R1.49 CCC(=O)CC1=CC=C(C=C1)Br Z513733694 [0,1,0,0,0,0|2,0,0]=3 233 B12R1.49 CCC(=O)CC1=CC=C(C=C1)C Z513735300 [0,1,0,0,0,0|2,0,0]=3 234 B12R1.49 CCC(=O)NC1=CC=C(C=C1)F Z27805867 [0,1,0,0,0,0|3,0,0]=4 235 B12R1.49 CCC(=O)NC1=CC=C(C=C1)I Z30316420 [0,1,0,0,0,0|3,0,0]=4 236 B12R1.49 CCC(=O)NC1=CC=C(C=C1)N Z432066898 [0,1,0,0,0,0|3,0,0]=4 237 B12R1.49 CCC(=O)NC1=CC=C(C=C1)O Z223656304 [0,1,0,0,0,0|2,0,0]=3 238 B12R1.49 CCC(C)OC1=CC=C(C=C1)Br Z336342658 [0,1,0,0,0,0|3,0,0]=4 239 B12R1.49 CCC(C)OC1=CC=C(C=C1)N Z274541874 [0,1,0,0,0,0|3,0,0]=4 240 B12R1.49 CCC(C)OC1=CC=C(C=C1)O Z381414944 [0,1,0,0,0,0|2,0,0]=3 241 B12R1.49 CCC(N)CC1=CC=C(C=C1)Br Z2582143601 [0,1,0,0,0,0|2,0,0]=3 242 B12R1.49 CCC(N)CC1=CC=C(C=C1)C Z431980102 [0,1,0,0,0,0|2,0,0]=3 243 B12R1.49 CCC(N)CC1=CC=C(C=C1)Cl Z2044769785 [0,1,0,0,0,0|2,0,0]=3 244 B12R1.49 CCC(N)CC1=CC=C(C=C1)F Z2492774579 [0,1,0,0,0,0|2,0,0]=3 245 B12R1.49 CCC(N)CC1=CC=C(C=C1)O Z1815149210 [0,1,0,0,0,0|1,0,0]=2 246 B12R1.49 CCC(O)CC1=CC=C(C=C1)C Z513751166 [0,1,0,0,0,0|2,0,0]=3 247 B12R1.49 CNC(=O)CC1=CC=C(C=C1)Br Z30272406 [0,1,0,0,0,0|3,0,0]=4 248 B12R1.49 CNC(=O)CC1=CC=C(C=C1)N Z239124750 [0,1,0,0,0,0|3,0,0]=4 249 B12R1.49 CNC(=O)CC1=CC=C(C=C1)O Z135505392 [0,1,0,0,0,0|2,0,0]=3 250 B12R1.49 COC(=O)CC1=CC=C(C=C1)Br Z18830099 [0,1,0,0,0,0|3,0,0]=4 251 B12R1.49 COC(=O)CC1=CC=C(C=C1)Cl Z18425668 [0,1,0,0,0,0|3,0,0]=4 252 B12R1.49 COC(=O)CC1=CC=C(C=C1)N Z285139238 [0,1,0,0,0,0|3,0,0]=4 253 B12R1.49 COC(=O)NC1=CC=C(C=C1)O Z335810072 [0,1,0,0,0,0|3,0,0]=4 254 B12R1.49 NC(CO)CC1=CC=C(C=C1)Cl Z3244488892 [0,1,0,0,0,0|3,0,0]=4 255 B12R1.49 NC(CO)CC1=CC=C(C=C1)F Z1849004242 [0,1,0,0,0,0|3,0,0]=4 256 B12R1.49 NC(CO)CC1=CC=C(C=C1)I Z1263636488 [0,1,0,0,0,0|3,0,0]=4 257 B12R1.49 NC1=CC=C(C=C1)CC(F)CO Z4580450313 [0,1,0,0,0,0|3,0,0]=4 258 B12R1.49 NCC(=O)CC1=CC=C(C=C1)F Z1889902528 [0,1,0,0,0,0|3,0,0]=4 259 B12R1.49 NCC(=O)NC1=CC=C(C=C1)O Z1262237164 [0,1,0,0,0,0|3,0,0]=4 260 B12R1.49 NCC(O)CC1=CC=C(C=C1)Br Z4990293859 [0,1,0,0,0,0|3,0,0]=4 261 B12R1.49 N[C@@H](CO)CC1=CC=C(C=C1)O Z295456854 [0,1,0,0,0,0|2,0,0]=3 262 B12R1.49 N[C@H](CO)CC1=CC=C(C=C1)O Z203038576 [0,1,0,0,0,0|2,0,0]=3 263 B12R1.49 O=C(CC1=CC=C(C=C1)O)NO Z135512374 [0,1,0,0,0,0|3,0,0]=4 264 B12R1.49 O=C(CCl)CC1=CC=C(C=C1)Br Z408178414 [0,1,0,0,0,0|3,0,0]=4 265 B12R1.49 O=C(CCl)CC1=CC=C(C=C1)Cl Z316174770 [0,1,0,0,0,0|3,0,0]=4 266 B12R1.49 O=C(CCl)CC1=CC=C(C=C1)F Z316174768 [0,1,0,0,0,0|3,0,0]=4 267 B12R1.49 O=C(CCl)NC1=CC=C(C=C1)O Z166646964 [0,1,0,0,0,0|3,0,0]=4 268 B12R1.49 O=C(CO)CC1=CC=C(C=C1)F Z906206828 [0,1,0,0,0,0|3,0,0]=4 269 B12R1.69 CC1=CC(=C(C=C1)CCCN)C Z90666959 [0,1,0,0,0,0|3,0,0]=4 270 B12R1.69 CCCNC1=C(C=C(C=C1)Br)Cl Z2943872485 [0,1,0,0,0,0|3,0,0]=4 271 B12R1.69 CCCNC1=C(C=C(C=C1)Cl)N Z359511154 [0,1,0,0,0,0|3,0,0]=4 272 B12R1.69 CCCOC1=C(C=C(C=C1)F)N Z406677838 [0,1,0,0,0,0|3,0,0]=4 273 B12R1.69 CCCOC1=C(C=C(C=C1)N)C Z2689925106 [0,1,0,0,0,0|3,0,0]=4 274 B12R1.69 CCCOC1=C(C=C(C=C1)N)Cl Z239873352 [0,1,0,0,0,0|3,0,0]=4 275 B12R1.69 CCCOC1=C(C=C(C=C1)N)F Z406677828 [0,1,0,0,0,0|3,0,0]=4 276 B12R1.69 CCNCC1=C(C=C(C=C1)F)F Z1163062001 [0,1,0,0,0,0|2,0,0]=3 277 B12R1.69 CCOCC1=C(N=C(N=C1)C)N Z234853588 [0,1,0,0,0,0|3,0,0]=4 278 B12R1.69 CNCCC1=C(C=C(C=C1)F)F Z3302963389 [0,1,0,0,0,0|3,0,0]=4 279 B12R1.69 NCCCC1=C(C=C(C=C1)Br)F Z424783082 [0,1,0,0,0,0|3,0,0]=4 280 B12R1.69 NCCCC1=C(C=C(C=C1)Cl)Cl Z424783018 [0,1,0,0,0,0|3,0,0]=4 281 B12R1.71 CCCCC1=CC=C(C=C1)C=O Z385369906 [0,1,0,0,0,0|1,0,1]=3 282 B12R1.71 CCCCC1=CC=C(C=C1)NC Z1331041631 [0,1,0,0,0,0|2,0,0]=3 283 B12R1.71 CCCNC1=CC=C(C=C1)CC Z334948098 [0,1,0,0,0,0|3,0,0]=4 284 B12R1.71 CCCOC1=CC=C(C=C1)C#N Z53834534 [0,1,0,0,0,0|3,0,0]=4 285 B12R1.71 CCCOC1=CC=C(C=C1)C=O Z53833128 [0,1,0,0,0,0|2,0,1]=4 286 B12R1.71 CCCOC1=CC=C(C=C1)CN Z57102483 [0,1,0,0,0,0|3,0,0]=4 287 B12R1.71 CCCOC1=CC=C(C=C1)CO Z54603099 [0,1,0,0,0,0|2,0,0]=3 288 B12R1.71 CCNCC1=CC=C(C=C1)C#N Z123866350 [0,1,0,0,0,0|2,0,0]=3 289 B12R1.71 CCNCC1=CC=C(C=C1)OC Z451452322 [0,1,0,0,0,0|1,0,0]=2 290 B12R1.71 CCOCC1=CC=C(C=C1)C#N Z295205422 [0,1,0,0,0,0|1,0,0]=2 291 B12R1.71 COC1=CC=C(C=C1)CCC=O Z1079442590 [0,1,0,0,0,0|2,0,1]=4 292 B12R1.71 COC1=CC=C(C=C1)CCCN Z291234224 [0,1,0,0,0,0|2,0,0]=3 293 B12R1.71 COC1=CC=C(C=C1)CCNN Z2327071096 [0,1,0,0,0,0|3,0,0]=4 294 B12R1.71 COC1=CC=C(C=C1)CN=C=S Z104482850 [0,1,0,0,0,0|2,0,1]=4 295 B12R1.71 COC1=CC=C(C=C1)OCCBr Z56886539 [0,1,0,0,0,0|3,0,0]=4 296 B12R1.71 COC1=CC=C(C=C1)OCCN Z54845983 [0,1,0,0,0,0|3,0,0]=4 297 B12R1.71 COCCC1=CC=C(C=C1)CO Z385370424 [0,1,0,0,0,0|2,0,0]=3 298 B12R1.385 CCCCC1=CC(=C(C=C1)C)N Z1262626215 [0,1,0,0,0,0|2,0,0]=3 299 B12R1.385 CCCCC1=CC(=C(C=C1)O)C Z1416171318 [0,1,0,0,0,0|1,0,0]=2 300 B12R1.385 CCCCC1=NC(=C(C=C1)N)C Z1947958364 [0,1,0,0,0,0|3,0,0]=4 301 B12R1.385 CCCCC1=NC=C(C(=C1)C)N Z1994825572 [0,1,0,0,0,0|3,0,0]=4 302 B12R1.385 CCCNC1=CC(=C(C=C1)C)C Z3179194889 [0,1,0,0,0,0|3,0,0]=4 303 B12R1.385 CCCNC1=CC(=C(C=C1)C)Cl Z3178892110 [0,1,0,0,0,0|3,0,0]=4 304 B12R1.385 CCCNC1=CC(=C(C=C1)Cl)C Z3178893817 [0,1,0,0,0,0|3,0,0]=4 305 B12R1.385 CCCNC1=CC(=C(C=C1)Cl)Cl Z3006084945 [0,1,0,0,0,0|3,0,0]=4 306 B12R1.385 CCCOC1=CC(=C(C=C1)Br)Cl Z1618009620 [0,1,0,0,0,0|3,0,0]=4 307 B12R1.385 CCCOC1=CC(=C(C=C1)N)C Z239604814 [0,1,0,0,0,0|3,0,0]=4 308 B12R1.385 CCNCC1=CC(=C(C=C1)Cl)Cl Z752370982 [0,1,0,0,0,0|2,0,0]=3 309 B12R1.385 CCNCC1=CC(=C(C=C1)F)F Z594413796 [0,1,0,0,0,0|2,0,0]=3 310 B12R1.385 CNCCC1=CC(=C(C=C1)O)Br Z3710478807 [0,1,0,0,0,0|2,0,0]=3 311 B12R1.385 COCCC1=CC(=C(C=C1)O)Cl Z1513901493 [0,1,0,0,0,0|2,0,0]=3 312 B12R1.385 OCCCC1=CC(=C(C=C1)Cl)Cl Z993012522 [0,1,0,0,0,0|3,0,0]=4 313 B12R2.24 BrC1=CC2=C(C=C1)CCCC2 Z299596180 [0,0,0,1,0,0|2,0,0]=3 314 B12R2.24 BrC1=CC2=C(C=C1)CCNC2 Z1117899488 [0,0,0,1,0,0|3,0,0]=4 315 B12R2.24 BrC1=CC2=C(C=C1)CNCC2 Z1224524500 [0,0,0,1,0,0|2,0,0]=3 316 B12R2.24 BrC1=CC2=C(C=C1)NCCC2 Z283683538 [0,0,0,1,0,0|3,0,0]=4 317 B12R2.24 CC1=CC2=C(C=C1)CCCN2 Z1166113428 [0,0,0,1,0,0|3,0,0]=4 318 B12R2.24 CC1=CC2=C(C=C1)CNCC2 Z1839475447 [0,0,0,1,0,0|2,0,0]=3 319 B12R2.24 CC1=CC2=C(C=C1)NCCC2 Z104494706 [0,0,0,1,0,0|3,0,0]=4 320 B12R2.24 CC1=CC2=C(C=C1)OCCC2 Z939648534 [0,0,0,1,0,0|3,0,0]=4 321 B12R2.24 ClC1=CC2=C(C=C1)CCCN2 Z3244460786 [0,0,0,1,0,0|3,0,0]=4 322 B12R2.24 ClC1=CC2=C(C=C1)CCNC2 Z1716481593 [0,0,0,1,0,0|3,0,0]=4 323 B12R2.24 ClC1=CC2=C(C=C1)NCCC2 Z259727454 [0,0,0,1,0,0|3,0,0]=4 324 B12R2.24 ClC1=NC2=C(C=N1)COCC2 Z1255504384 [0,0,0,1,0,0|3,0,0]=4 325 B12R2.24 FC1=CC2=C(C=C1)CCNC2 Z979717316 [0,0,0,1,0,0|3,0,0]=4 326 B12R2.24 FC1=CC2=C(C=C1)CNCC2 Z1198169933 [0,0,0,1,0,0|2,0,0]=3 327 B12R2.24 NC1=CC2=C(C=C1)CCCC2 Z278204684 [0,0,0,1,0,0|2,0,0]=3 328 B12R2.24 NC1=CC2=C(C=C1)OCCC2 Z728136682 [0,0,0,1,0,0|3,0,0]=4 329 B12R2.24 NC1=NC2=C(C=C1)CCCC2 Z1198183880 [0,0,0,1,0,0|3,0,0]=4 330 B12R2.24 NC1=NC2=C(C=N1)COCC2 Z2690815129 [0,0,0,1,0,0|3,0,0]=4 331 B12R2.24 NC1=NC=C2CCCCC2=C1 Z1198275331 [0,0,0,1,0,0|3,0,0]=4 332 B12R2.24 O=C1C=C2CCCCC2=CN1 Z1203746588 [0,0,0,1,0,0|2,0,1]=4 333 B12R2.24 O=C1C=C2CCOCC2=CN1 Z1509160870 [0,0,0,1,0,0|1,0,1]=3 334 B12R2.24 O=C1C=CC2=C(N1)CCCC2 Z1198153259 [0,0,0,1,0,0|2,0,1]=4 335 B12R2.24 O=C1C=CC2=C(N1)CCNC2 Z3234963668 [0,0,0,1,0,0|2,0,1]=4 336 B12R2.24 OC1=CC2=C(C=C1)CCCC2 Z57182387 [0,0,0,1,0,0|1,0,0]=2 337 B12R2.24 OC1=CC2=C(C=C1)CCCN2 Z1198176201 [0,0,0,1,0,0|2,0,0]=3 338 B12R2.24 OC1=CC2=C(C=C1)CCNC2 Z382690838 [0,0,0,1,0,0|2,0,0]=3 339 B12R2.24 OC1=CC2=C(C=C1)CCOC2 Z1551961557 [0,0,0,1,0,0|2,0,0]=3 340 B12R2.24 OC1=CC2=C(C=C1)CNCC2 Z3018438111 [0,0,0,1,0,0|1,0,0]=2 341 B12R2.24 OC1=CC2=C(C=C1)COCC2 Z1255359696 [0,0,0,1,0,0|0,0,0]=1 342 B12R2.24 OC1=CC2=C(C=C1)NCCO2 Z4967332209 [0,0,0,1,0,0|3,0,0]=4 343 B12R2.24 OC1=CC2=C(C=C1)OCCC2 Z1201627010 [0,0,0,1,0,0|2,0,0]=3 344 B12R2.24 OC1=CC2=C(C=C1)OCCN2 Z3234815231 [0,0,0,1,0,0|3,0,0]=4 345 B12R2.24 OC1=CC2=C(C=C1)OCCO2 Z168827500 [0,0,0,1,0,0|3,0,0]=4 346 B12R2.24 OC1=CC2=C(CCCC2)N=C1 Z1255357750 [0,0,0,1,0,0|2,0,0]=3 347 B12R2.24 OC1=NC2=C(C=C1)NCCC2 Z1618113980 [0,0,0,1,0,0|3,0,0]=4 348 B12R2.24 OC1=NC2=C(C=N1)CCCC2 Z2756994476 [0,0,0,1,0,0|3,0,0]=4 349 B12R2.24 OC1=NC2=C(CCCC2)N=C1 Z2306625664 [0,0,0,1,0,0|3,0,0]=4 350 B12R2.79 CC1=CC=C(C=C1)[C@@H]2C[C@H]2N Z2380468351 [0,0,0,1,0,0|3,0,0]=4 351 B12R2.79 C[C@@H]1O[C@H]1C2=CC=C(C=C2)Cl Z3074487523 [0,0,0,1,0,0|1,0,0]=2 352 B12R2.79 C[C@@H]1O[C@H]1C2=CC=C(C=C2)F Z2527567177 [0,0,0,1,0,0|1,0,0]=2 353 B12R2.79 NC1CC1C2=CC=C(C=C2)F Z1266823169 [0,0,0,1,0,0|3,0,0]=4 354 B12R2.79 N[C@@H]1C[C@H]1C2=CC=C(C=C2)Br Z2298098036 [0,0,0,1,0,0|3,0,0]=4 355 B12R2.79 N[C@@H]1C[C@H]1C2=CC=C(C=C2)Cl Z2298098012 [0,0,0,1,0,0|3,0,0]=4 356 B12R2.132 CC1=CC2=C(C=C1)CCC2N Z1259339087 [0,0,0,1,0,0|3,0,0]=4 357 B12R2.132 CC1=CC2=C(C=C1)COB2O Z1939443826 [0,0,0,1,0,0|3,0,0]=4 358 B12R2.132 CC1=CC2=C(C=C1)COC2=O Z1255391985 [0,0,0,1,0,0|2,0,1]=4 359 B12R2.132 CN1C=CC2=C1C=C(C=C2)O Z1255447420 [0,0,0,1,0,0|2,0,1]=4 360 B12R2.132 CN1CCC2=C1C=C(C=C2)N Z334596086 [0,0,0,1,0,0|3,0,0]=4 361 B12R2.132 CN1N=NC2=C1C=C(C=C2)O Z4966740129 [0,0,0,1,0,0|3,0,0]=4 362 B12R2.132 NC1=CC2=C(C=C1)CCC2O Z1203584428 [0,0,0,1,0,0|3,0,0]=4 363 B12R2.132 NC1=CC2=C(C=C1)COB2O Z2301239359 [0,0,0,1,0,0|3,0,0]=4 364 B12R2.132 NC1=CC2=C(C=C1)COC2=O Z276599558 [0,0,0,1,0,0|2,0,1]=4 365 B12R2.132 NC1CCC2=C1C=C(C=C2)Cl Z2692095081 [0,0,0,1,0,0|3,0,0]=4 366 B12R2.132 NC1CCC2=C1C=C(C=C2)F Z1263820321 [0,0,0,1,0,0|3,0,0]=4 367 B12R2.132 NC1CCC2=C1C=C(C=C2)O Z1198165276 [0,0,0,1,0,0|2,0,0]=3 368 B12R2.132 O=C1NCC2=C1C=C(C=C2)O Z1198177071 [0,0,0,1,0,0|2,0,1]=4 369 B12R2.132 O=C1OCC2=C1C=C(C=C2)Br Z1258932820 [0,0,0,1,0,0|2,0,1]=4 370 B12R2.132 O=C1OCC2=C1C=C(C=C2)F Z1198309551 [0,0,0,1,0,0|2,0,1]=4 371 B12R2.132 O=C1OCC2=C1C=C(C=C2)O Z1198181162 [0,0,0,1,0,0|1,0,1]=3 372 B12R2.132 OB1OCC2=C1C=C(C=C2)Cl Z1504688024 [0,0,0,1,0,0|3,0,0]=4 373 B12R2.132 OB1OCC2=C1C=C(C=C2)F Z1198279577 [0,0,0,1,0,0|3,0,0]=4 374 B12R2.132 OB1OCC2=C1C=C(C=C2)O Z1513809260 [0,0,0,1,0,0|2,0,0]=3 375 B12R2.132 OC1CCC2=C1C=C(C=C2)F Z815114600 [0,0,0,1,0,0|3,0,0]=4 376 B12R2.294 BrC1=CC=C(C=C1)CC2CO2 Z2523466484 [0,0,0,1,0,0|3,0,0]=4 377 B12R2.294 FC1=CC=C(C=C1)CC2CO2 Z1495386285 [0,0,0,1,0,0|3,0,0]=4 378 B12R2.294 OC1=CC=C(C=C1)OC2CC2 Z1255401633 [0,0,0,1,0,0|2,0,0]=3 379 B12R2.2302 BrC1=CN=C(C=C1)C2CCC2 Z1269236361 [0,0,0,1,0,0|3,0,0]=4 380 B12R2.2302 ClC1=CC=C(C=C1)C2CCN2 Z1267773691 [0,0,0,1,0,0|2,0,0]=3 381 B12R2.2302 ClC1=CC=C(C=C1)C2CNC2 Z3244745362 [0,0,0,1,0,0|3,0,0]=4 382 B12R2.2302 NC1=CC=C(C=C1)C2CCC2 Z1203579606 [0,0,0,1,0,0|2,0,0]=3 383 B12R2.2302 NC1=NC=C(C=C1)C2CCC2 Z1255447265 [0,0,0,1,0,0|3,0,0]=4 384 B12R2.2302 OC1=CC=C(C=C1)C2CCC2 Z1486032779 [0,0,0,1,0,0|1,0,0]=2 385 B10R1.16 CCNCC1=CC=C(S1)Br Z85920474 [0,0,0,0,1,0|3,0,0]=4 386 B10R1.16 CCNCC1=CC=C(S1)Cl Z57051062 [0,0,0,0,1,0|3,0,0]=4 387 B9R0.48 CCOC(=O)/C=C/C(=O)O Z2315575179 [1,0,1,0,0,0|2,0,0]=4 388 B9R1.1 CC1=CN=C(C=C1)CO Z1198270889 [2,0,0,0,0,0|2,0,0]=4 389 B9R1.1 CC1=NC=C(C=C1)CO Z397587474 [2,0,0,0,0,0|2,0,0]=4 390 B9R1.1 CCC1=CC=C(C=C1)I Z381540768 [2,0,0,0,0,0|1,0,0]=3 391 B9R1.1 CCC1=CC=C(C=C1)N Z104477836 [2,0,0,0,0,0|1,0,0]=3 392 B9R1.1 CCC1=CC=C(C=C1)O Z104479728 [2,0,0,0,0,0|0,0,0]=2 393 B9R1.1 CCC1=CN=C(C=C1)N Z1198224278 [2,0,0,0,0,0|2,0,0]=4 394 B9R1.1 CNC1=CC=C(C=C1)I Z744582716 [2,0,0,0,0,0|2,0,0]=4 395 B9R1.1 CNC1=CC=C(C=C1)O Z940713298 [2,0,0,0,0,0|1,0,0]=3 396 B9R1.1 COC1=CC=C(C=C1)C Z53834227 [2,0,0,0,0,0|1,0,0]=3 397 B9R1.1 COC1=CC=C(C=C1)F Z53834743 [2,0,0,0,0,0|1,0,0]=3 398 B9R1.1 COC1=CC=C(C=C1)N Z56938150 [2,0,0,0,0,0|1,0,0]=3 399 B9R1.1 COC1=CC=C(C=C1)O Z104474598 [2,0,0,0,0,0|0,0,0]=2 400 B9R1.1 COC1=CN=C(C=C1)C Z1198232754 [2,0,0,0,0,0|2,0,0]=4 401 B9R1.1 COC1=NC=C(C=C1)Br Z808608370 [2,0,0,0,0,0|2,0,0]=4 402 B9R1.1 COC1=NC=C(C=C1)Cl Z1094698482 [2,0,0,0,0,0|2,0,0]=4 403 B9R1.1 COC1=NC=C(C=C1)N Z56899049 [2,0,0,0,0,0|2,0,0]=4 404 B9R1.1 COC1=NC=C(C=C1)O Z1201623942 [2,0,0,0,0,0|1,0,0]=3 405 B9R1.1 CSC1=CC=C(C=C1)N Z104511114 [2,0,0,0,0,0|1,1,0]=4 406 B9R1.1 FC1=CC=C(C=C1)CBr Z89269613 [2,0,0,0,0,0|2,0,0]=4 407 B9R1.1 N#CC1=CC=C(C=C1)O Z104473840 [2,0,0,0,0,0|1,0,1]=4 408 B9R1.1 NC1=NC=C(C=C1)CO Z960446254 [2,0,0,0,0,0|2,0,0]=4 409 B9R1.1 NCC1=CC=C(C=C1)F Z54748266 [2,0,0,0,0,0|2,0,0]=4 410 B9R1.1 NCC1=CC=C(C=C1)O Z235348101 [2,0,0,0,0,0|1,0,0]=3 411 B9R1.1 NCC1=CN=C(C=C1)O Z1269638445 [2,0,0,0,0,0|2,0,0]=4 412 B9R1.1 NCC1=NC=C(C=C1)O Z3324887230 [2,0,0,0,0,0|2,0,0]=4 413 B9R1.1 O=CC1=CC=C(C=C1)O Z57127520 [2,0,0,0,0,0|0,0,2]=4 414 B9R1.1 OCC1=CC=C(C=C1)Br Z335244742 [2,0,0,0,0,0|1,0,0]=3 415 B9R1.1 OCC1=CC=C(C=C1)Cl Z104478032 [2,0,0,0,0,0|1,0,0]=3 416 B9R1.1 OCC1=CC=C(C=C1)F Z104477460 [2,0,0,0,0,0|1,0,0]=3 417 B9R1.1 OCC1=CC=C(C=C1)I Z385370342 [2,0,0,0,0,0|1,0,0]=3 418 B9R1.1 OCC1=NC=C(C=C1)Br Z1065600752 [2,0,0,0,0,0|2,0,0]=4 419 B9R1.1 OCC1=NC=C(C=C1)Cl Z1198272591 [2,0,0,0,0,0|2,0,0]=4 420 B9R1.1 OCC1=NC=C(C=C1)O Z1217915045 [2,0,0,0,0,0|1,0,0]=3 421 B9R1.1 SCC1=CC=C(C=C1)Cl Z55948216 [2,0,0,0,0,0|1,1,0]=4 422 B9R1.8 CCCC1=CC=CC=C1 Z104479154 [2,0,0,0,0,0|0,0,0]=2 423 B9R1.8 CCCC1=NC=CC=C1 Z1255434741 [2,0,0,0,0,0|1,0,0]=3 424 B9R1.8 CCCC1=NN=CC=C1 Z1486025396 [2,0,0,0,0,0|2,0,0]=4 425 B9R1.8 CCNC1=CC=CC=C1 Z104472482 [2,0,0,0,0,0|1,0,0]=3 426 B9R1.8 CCNC1=CC=NC=C1 Z359297730 [2,0,0,0,0,0|2,0,0]=4 427 B9R1.8 CCNC1=CN=CC=C1 Z334882416 [2,0,0,0,0,0|2,0,0]=4 428 B9R1.8 CCSC1=CC=NC=C1 Z1376454759 [2,0,0,0,0,0|1,1,0]=4 429 B9R1.8 CNCC1=CC=NC=C1 Z57390007 [2,0,0,0,0,0|2,0,0]=4 430 B9R1.8 CNCC1=CN=CC=C1 Z56963341 [2,0,0,0,0,0|2,0,0]=4 431 B9R1.8 CSCC1=CN=CC=C1 Z599631354 [2,0,0,0,0,0|1,1,0]=4 432 B9R1.8 N#COC1=CC=CC=C1 Z1198165353 [2,0,0,0,0,0|1,0,1]=4 433 B9R1.8 NCCC1=CC=NC=C1 Z241056520 [2,0,0,0,0,0|2,0,0]=4 434 B9R1.8 NCCC1=CN=CC=C1 Z241056524 [2,0,0,0,0,0|2,0,0]=4 435 B9R1.8 NCCC1=NC=CC=C1 Z104478200 [2,0,0,0,0,0|2,0,0]=4 436 B9R1.8 NNCC1=CC=CC=C1 Z56969306 [2,0,0,0,0,0|2,0,0]=4 437 B9R1.8 NOCC1=CC=CC=C1 Z90668722 [2,0,0,0,0,0|1,0,0]=3 438 B9R1.8 O=CCC1=CC=CC=C1 Z104472146 [2,0,0,0,0,0|1,0,1]=4 439 B9R1.8 OCCC1=CC=CC=C1 Z104473586 [2,0,0,0,0,0|1,0,0]=3 440 B9R1.8 OCCC1=CN=CC=C1 Z992949518 [2,0,0,0,0,0|2,0,0]=4 441 B9R1.8 OCCC1=NC=CC=C1 Z104473592 [2,0,0,0,0,0|2,0,0]=4 442 B11R1.20 CC(=O)CC1=CC=C(C=C1)F Z329711590 [1,1,0,0,0,0|1,0,1]=4 443 B11R1.20 CC(=O)NC1=CC=C(C=C1)O Z56946051 [1,1,0,0,0,0|1,0,1]=4 444 B11R1.20 CC(=O)OC1=CC=C(C=C1)O Z1198155166 [1,1,0,0,0,0|0,0,1]=3 445 B11R1.20 CC(C)CC1=CC=C(C=C1)N Z1463350056 [1,1,0,0,0,0|1,0,0]=3 446 B11R1.20 CC(C)CC1=NC=C(C=C1)Br Z1269179231 [1,1,0,0,0,0|2,0,0]=4 447 B11R1.20 CC(C)NC1=CC=C(C=C1)Cl Z993967140 [1,1,0,0,0,0|2,0,0]=4 448 B11R1.20 CC(C)NC1=CC=C(C=C1)F Z266481896 [1,1,0,0,0,0|2,0,0]=4 449 B11R1.20 CC(C)OC1=CC=C(C=C1)Br Z53834735 [1,1,0,0,0,0|1,0,0]=3 450 B11R1.20 CC(C)OC1=CC=C(C=C1)I Z54181200 [1,1,0,0,0,0|1,0,0]=3 451 B11R1.20 CC(C)OC1=NC=C(C=C1)Br Z808608768 [1,1,0,0,0,0|2,0,0]=4 452 B11R1.20 CC(N)CC1=CC=C(C=C1)O Z57102382 [1,1,0,0,0,0|0,0,0]=2 453 B11R1.20 CC1=CC=C(C=C1)NC(C)C Z992717194 [1,1,0,0,0,0|2,0,0]=4 454 B11R1.20 CC1=CC=C(C=C1)OC(C)C Z53834229 [1,1,0,0,0,0|1,0,0]=3 455 B11R1.20 CN(C)CC1=CC=C(C=C1)N Z228584348 [1,1,0,0,0,0|2,0,0]=4 456 B11R1.20 FC1=CC=C(C=C1)OC(F)F Z55671914 [1,1,0,0,0,0|2,0,0]=4 457 B11R1.20 NC1=CC=C(C=C1)OC(F)F Z56899041 [1,1,0,0,0,0|2,0,0]=4 458 B11R1.22 CC(CN)C1=CC=C(C=C1)Br Z2906280360 [1,1,0,0,0,0|2,0,0]=4 459 B11R1.22 CC(CN)C1=CC=C(C=C1)F Z415654954 [1,1,0,0,0,0|2,0,0]=4 460 B11R1.22 CC(CO)C1=CC=C(C=C1)F Z1255440783 [1,1,0,0,0,0|2,0,0]=4 461 B11R1.22 CC1=CC=C(C=C1)C(C)CN Z415654970 [1,1,0,0,0,0|2,0,0]=4 462 B11R1.22 CC1=CC=C(C=C1)C(N)CF Z2474474695 [1,1,0,0,0,0|2,0,0]=4 463 B11R1.22 CC1=CC=C(C=C1)C(N)CO Z5087131901 [1,1,0,0,0,0|2,0,0]=4 464 B11R1.22 CC1=CC=C(C=C1)C(O)CN Z336086536 [1,1,0,0,0,0|2,0,0]=4 465 B11R1.22 CC1=CC=C(C=C1)[C@@H](O)CN Z1895741843 [1,1,0,0,0,0|2,0,0]=4 466 B11R1.22 CCC(=O)C1=CC=C(C=C1)Br Z104485724 [1,1,0,0,0,0|1,0,1]=4 467 B11R1.22 CCC(=O)C1=CC=C(C=C1)Cl Z104477486 [1,1,0,0,0,0|1,0,1]=4 468 B11R1.22 CCC(=O)C1=CC=C(C=C1)F Z104477898 [1,1,0,0,0,0|1,0,1]=4 469 B11R1.22 CCC(=O)C1=CC=C(C=C1)I Z285137052 [1,1,0,0,0,0|1,0,1]=4 470 B11R1.22 CCC(=O)C1=CC=C(C=C1)N Z1203578051 [1,1,0,0,0,0|1,0,1]=4 471 B11R1.22 CCC(=O)C1=CC=C(C=C1)O Z104499156 [1,1,0,0,0,0|0,0,1]=3 472 B11R1.22 CCC(C)C1=CC=C(C=C1)O Z104484172 [1,1,0,0,0,0|0,0,0]=2 473 B11R1.22 CCC(N)C1=CC=C(C=C1)Br Z90662172 [1,1,0,0,0,0|1,0,0]=3 474 B11R1.22 CCC(N)C1=CC=C(C=C1)C Z90662186 [1,1,0,0,0,0|1,0,0]=3 475 B11R1.22 CCC(N)C1=CC=C(C=C1)Cl Z221421644 [1,1,0,0,0,0|1,0,0]=3 476 B11R1.22 CCC(O)C1=CC=C(C=C1)C Z228586316 [1,1,0,0,0,0|1,0,0]=3 477 B11R1.22 CCC(O)C1=CC=C(C=C1)Cl Z228586168 [1,1,0,0,0,0|1,0,0]=3 478 B11R1.22 CCC(O)C1=CC=C(C=C1)F Z228586174 [1,1,0,0,0,0|1,0,0]=3 479 B11R1.22 CCC(O)C1=CC=C(C=C1)O Z228586170 [1,1,0,0,0,0|0,0,0]=2 480 B11R1.22 CCC(O)C1=NC=C(C=C1)F Z1341678257 [1,1,0,0,0,0|2,0,0]=4 481 B11R1.22 CCS(=O)C1=CC=C(C=C1)F Z1154828228 [1,1,0,0,0,0|1,1,0]=4 482 B11R1.22 CC[C@@H](N)C1=CC=C(C=C1)F Z1626921240 [1,1,0,0,0,0|1,0,0]=3 483 B11R1.22 CC[C@H](N)C1=CC=C(C=C1)F Z1625822291 [1,1,0,0,0,0|1,0,0]=3 484 B11R1.22 CNC(=O)C1=CC=C(C=C1)O Z183855140 [1,1,0,0,0,0|1,0,1]=4 485 B11R1.22 CNC(C)C1=CC=C(C=C1)C Z239628686 [1,1,0,0,0,0|2,0,0]=4 486 B11R1.22 CNC(C)C1=CC=C(C=C1)Cl Z159528172 [1,1,0,0,0,0|2,0,0]=4 487 B11R1.22 CNC(C)C1=CC=C(C=C1)F Z166605480 [1,1,0,0,0,0|2,0,0]=4 488 B11R1.22 CNC(C)C1=CC=C(C=C1)O Z316170374 [1,1,0,0,0,0|1,0,0]=3 489 B11R1.22 COC(=O)C1=CC=C(C=C1)Br Z19682625 [1,1,0,0,0,0|1,0,1]=4 490 B11R1.22 COC(=O)C1=CC=C(C=C1)I Z19776689 [1,1,0,0,0,0|1,0,1]=4 491 B11R1.22 COC(=O)C1=CC=C(C=C1)N Z54178705 [1,1,0,0,0,0|1,0,1]=4 492 B11R1.22 COC(=O)C1=CC=C(C=C1)O Z19674820 [1,1,0,0,0,0|0,0,1]=3 493 B11R1.22 NC(CF)C1=CC=C(C=C1)Cl Z1510155807 [1,1,0,0,0,0|2,0,0]=4 494 B11R1.22 NC(CO)C1=CC=C(C=C1)Br Z2188171600 [1,1,0,0,0,0|2,0,0]=4 495 B11R1.22 NC(CO)C1=CC=C(C=C1)F Z1268152327 [1,1,0,0,0,0|2,0,0]=4 496 B11R1.22 NCC(=O)C1=CC=C(C=C1)O Z1198177329 [1,1,0,0,0,0|1,0,1]=4 497 B11R1.22 NCC(O)C1=CC=C(C=C1)Cl Z295878600 [1,1,0,0,0,0|2,0,0]=4 498 B11R1.22 O=C(CCl)C1=CC=C(C=C1)O Z104378296 [1,1,0,0,0,0|1,0,1]=4 499 B11R1.81 CC1=C(C=CC(=C1)F)CCN Z959351734 [1,1,0,0,0,0|2,0,0]=4 500 B11R1.81 CC1=CC(=C(C=C1)CCN)Br Z4658970056 [1,1,0,0,0,0|2,0,0]=4 501 B11R1.81 CC1=CC(=C(C=C1)CCN)C Z285143724 [1,1,0,0,0,0|2,0,0]=4 502 B11R1.81 CC1=CC(=C(C=C1)CCN)Cl Z5010254329 [1,1,0,0,0,0|2,0,0]=4 503 B11R1.81 CCNC1=C(C=C(C=C1)C)C Z744754524 [1,1,0,0,0,0|2,0,0]=4 504 B11R1.81 CCNC1=C(C=C(C=C1)C)N Z394649004 [1,1,0,0,0,0|2,0,0]=4 505 B11R1.81 CCNC1=C(C=C(C=C1)Cl)Cl Z4201362307 [1,1,0,0,0,0|2,0,0]=4 506 B11R1.81 CCNC1=C(C=C(C=C1)F)N Z359511462 [1,1,0,0,0,0|2,0,0]=4 507 B11R1.81 CCOC1=C(C=C(C=C1)Br)N Z330803642 [1,1,0,0,0,0|1,0,0]=3 508 B11R1.81 CCOC1=C(C=C(C=C1)Cl)N Z234894877 [1,1,0,0,0,0|1,0,0]=3 509 B11R1.81 CCOC1=C(C=C(C=C1)F)Br Z55027547 [1,1,0,0,0,0|1,0,0]=3 510 B11R1.81 CCOC1=C(C=C(C=C1)F)N Z332375936 [1,1,0,0,0,0|1,0,0]=3 511 B11R1.81 CCOC1=C(C=C(C=C1)N)C Z385462628 [1,1,0,0,0,0|1,0,0]=3 512 B11R1.81 CCOC1=C(C=C(C=C1)N)Cl Z239873338 [1,1,0,0,0,0|1,0,0]=3 513 B11R1.81 CCOC1=C(C=C(C=C1)N)F Z362635048 [1,1,0,0,0,0|1,0,0]=3 514 B11R1.81 CCOC1=C(C=C(C=N1)C)N Z1270646056 [1,1,0,0,0,0|2,0,0]=4 515 B11R1.81 CCOC1=C(N=C(C=C1)N)C Z2583036218 [1,1,0,0,0,0|2,0,0]=4 516 B11R1.81 CCSC1=C(C=C(C=C1)Cl)N Z319450478 [1,1,0,0,0,0|1,1,0]=4 517 B11R1.81 CNCC1=C(C=C(C=C1)Br)Cl Z448247304 [1,1,0,0,0,0|2,0,0]=4 518 B11R1.81 CNCC1=C(C=C(C=C1)C)Br Z5345778789 [1,1,0,0,0,0|2,0,0]=4 519 B11R1.81 CNCC1=C(C=C(C=C1)C)C Z89283370 [1,1,0,0,0,0|2,0,0]=4 520 B11R1.81 CNCC1=C(C=C(C=C1)C)Cl Z5465034350 [1,1,0,0,0,0|2,0,0]=4 521 B11R1.81 CNCC1=C(C=C(C=C1)Cl)Br Z5214955384 [1,1,0,0,0,0|2,0,0]=4 522 B11R1.81 CNCC1=C(C=C(C=C1)Cl)Cl Z56959746 [1,1,0,0,0,0|2,0,0]=4 523 B11R1.81 CNCC1=C(C=C(C=C1)Cl)F Z385446922 [1,1,0,0,0,0|2,0,0]=4 524 B11R1.81 CNCC1=C(C=C(C=C1)F)Br Z1836652109 [1,1,0,0,0,0|2,0,0]=4 525 B11R1.81 CNCC1=C(C=C(C=C1)F)C Z4189742481 [1,1,0,0,0,0|2,0,0]=4 526 B11R1.81 CNCC1=C(C=C(C=C1)F)Cl Z138105392 [1,1,0,0,0,0|2,0,0]=4 527 B11R1.81 CNCC1=C(C=C(C=C1)F)F Z102767946 [1,1,0,0,0,0|2,0,0]=4 528 B11R1.81 COCC1=C(C=C(C=C1)Br)F Z823854350 [1,1,0,0,0,0|1,0,0]=3 529 B11R1.81 COCC1=C(C=C(C=C1)O)F Z1551937213 [1,1,0,0,0,0|0,0,0]=2 530 B11R1.81 COCC1=C(N=C(C=C1)N)C Z1262680326 [1,1,0,0,0,0|2,0,0]=4 531 B11R1.81 NC1=CC(=C(C=C1)CCO)F Z1255436579 [1,1,0,0,0,0|2,0,0]=4 532 B11R1.81 NCCC1=C(C=C(C=C1)Br)Cl Z4668045321 [1,1,0,0,0,0|2,0,0]=4 533 B11R1.81 NCCC1=C(C=C(C=C1)Br)F Z405046450 [1,1,0,0,0,0|2,0,0]=4 534 B11R1.81 NCCC1=C(C=C(C=C1)Cl)Br Z2941505410 [1,1,0,0,0,0|2,0,0]=4 535 B11R1.81 NCCC1=C(C=C(C=C1)F)Cl Z1267881686 [1,1,0,0,0,0|2,0,0]=4 536 B11R1.81 NCCC1=C(C=C(C=C1)F)F Z285143768 [1,1,0,0,0,0|2,0,0]=4 537 B11R1.81 NCCC1=C(C=C(C=C1)O)O Z1166113553 [1,1,0,0,0,0|1,0,0]=3 538 B11R1.81 NOCC1=C(C=C(C=C1)F)Br Z1318533831 [1,1,0,0,0,0|2,0,0]=4 539 B11R1.81 OCCC1=C(C=C(C=C1)F)F Z1020790240 [1,1,0,0,0,0|2,0,0]=4 540 B11R1.81 OCCC1=C(C=C(C=C1)O)O Z1513827466 [1,1,0,0,0,0|1,0,0]=3 541 B11R1.83 C#CC1=CC=C(C=C1)CCN Z4634952920 [1,1,0,0,0,0|2,0,0]=4 542 B11R1.83 C#CC1=CC=C(C=C1)OCC Z1080385490 [1,1,0,0,0,0|1,0,0]=3 543 B11R1.83 C#CC1=CN=C(C=C1)OCC Z1255495748 [1,1,0,0,0,0|2,0,0]=4 544 B11R1.83 C/C=C/C1=CC=C(C=C1)OC Z2315575049 [1,1,0,0,0,0|0,0,2]=4 545 B11R1.83 CCC1=CC=C(C=C1)CCN Z285143808 [1,1,0,0,0,0|2,0,0]=4 546 B11R1.83 CCC1=CC=C(C=C1)CCO Z992949606 [1,1,0,0,0,0|2,0,0]=4 547 B11R1.83 CCCC1=CC=C(C=C1)C=O Z147641436 [1,1,0,0,0,0|0,0,1]=3 548 B11R1.83 CCNC1=CC=C(C=C1)C#N Z126933712 [1,1,0,0,0,0|2,0,0]=4 549 B11R1.83 CCNC1=CC=C(C=C1)CC Z286410160 [1,1,0,0,0,0|2,0,0]=4 550 B11R1.83 CCNC1=CC=C(C=C1)CN Z954985480 [1,1,0,0,0,0|2,0,0]=4 551 B11R1.83 CCNC1=CC=C(C=C1)OC Z286371004 [1,1,0,0,0,0|1,0,0]=3 552 B11R1.83 CCNC1=CN=C(C=C1)OC Z334876678 [1,1,0,0,0,0|2,0,0]=4 553 B11R1.83 CCOC1=CC=C(C=C1)C#N Z53834532 [1,1,0,0,0,0|1,0,0]=3 554 B11R1.83 CCOC1=CC=C(C=C1)C=O Z53833126 [1,1,0,0,0,0|0,0,1]=3 555 B11R1.83 CCOC1=CC=C(C=C1)NC Z335255846 [1,1,0,0,0,0|1,0,0]=3 556 B11R1.83 CCOC1=CN=C(C=C1)C=O Z1255437994 [1,1,0,0,0,0|1,0,1]=4 557 B11R1.83 CCOC1=NC=C(C=C1)C#N Z295203536 [1,1,0,0,0,0|2,0,0]=4 558 B11R1.83 CCOC1=NC=C(C=C1)C=O Z1198331588 [1,1,0,0,0,0|1,0,1]=4 559 B11R1.83 CCSC1=CC=C(C=C1)C#N Z332378580 [1,1,0,0,0,0|1,1,0]=4 560 B11R1.83 CNCC1=CC=C(C=C1)C#N Z123857104 [1,1,0,0,0,0|2,0,0]=4 561 B11R1.83 CNCC1=CC=C(C=C1)CO Z5435726703 [1,1,0,0,0,0|1,0,0]=3 562 B11R1.83 CNCC1=CC=C(C=C1)OC Z56928625 [1,1,0,0,0,0|1,0,0]=3 563 B11R1.83 CNCC1=CC=C(C=C1)SC Z56960262 [1,1,0,0,0,0|1,1,0]=4 564 B11R1.83 CNCC1=CN=C(C=C1)OC Z2490025030 [1,1,0,0,0,0|2,0,0]=4 565 B11R1.83 CNCC1=NC=C(C=C1)OC Z1849014421 [1,1,0,0,0,0|2,0,0]=4 566 B11R1.83 COC1=CC=C(C=C1)CC#N Z104476452 [1,1,0,0,0,0|1,0,1]=4 567 B11R1.83 COC1=CC=C(C=C1)CC=O Z993017620 [1,1,0,0,0,0|1,0,1]=4 568 B11R1.83 COC1=CC=C(C=C1)CCN Z104476454 [1,1,0,0,0,0|1,0,0]=3 569 B11R1.83 COCC1=CC=C(C=C1)C#N Z295205408 [1,1,0,0,0,0|1,0,0]=3 570 B11R1.83 COCC1=CC=C(C=C1)C=O Z1198331617 [1,1,0,0,0,0|0,0,1]=3 571 B11R1.83 COCC1=CC=C(C=C1)CN Z240084734 [1,1,0,0,0,0|1,0,0]=3 572 B11R1.83 COCC1=CC=C(C=C1)CO Z1255394253 [1,1,0,0,0,0|0,0,0]=2 573 B11R1.83 CSCC1=CC=C(C=C1)C#N Z432419878 [1,1,0,0,0,0|1,1,0]=4 574 B11R1.83 CSCC1=CC=C(C=C1)C=O Z2216784275 [1,1,0,0,0,0|0,1,1]=4 575 B11R1.83 CSCC1=CC=C(C=C1)SC Z599630492 [1,1,0,0,0,0|0,2,0]=4 576 B11R1.83 N#CC1=CC=C(C=C1)CCN Z1741971794 [1,1,0,0,0,0|2,0,0]=4 577 B11R1.83 N#CC1=CC=C(C=C1)CCO Z964982550 [1,1,0,0,0,0|2,0,0]=4 578 B11R1.83 NCCC1=CC=C(C=C1)CO Z3243654196 [1,1,0,0,0,0|1,0,0]=3 579 B11R1.83 O=CC1=CC=C(C=C1)CCF Z1813165432 [1,1,0,0,0,0|1,0,1]=4 580 B11R1.83 O=CC1=CC=C(C=C1)OCF Z4875012342 [1,1,0,0,0,0|1,0,1]=4 581 B11R1.192 CC1=C(C=C(C=C1)CCN)C Z2526366647 [1,1,0,0,0,0|2,0,0]=4 582 B11R1.192 CC1=C(C=C(C=C1)CCN)Cl Z4330614334 [1,1,0,0,0,0|2,0,0]=4 583 B11R1.192 CC1=C(C=CC(=C1)CC#N)O Z1255368240 [1,1,0,0,0,0|1,0,1]=4 584 B11R1.192 CC1=C(C=CC(=C1)CCN)Br Z1269233616 [1,1,0,0,0,0|2,0,0]=4 585 B11R1.192 CC1=C(C=CC(=C1)CCN)Cl Z1198178622 [1,1,0,0,0,0|2,0,0]=4 586 B11R1.192 CC1=C(C=CC(=C1)CCN)F Z1682072426 [1,1,0,0,0,0|2,0,0]=4 587 B11R1.192 CCNC1=CC(=C(C=C1)C)C Z5214919889 [1,1,0,0,0,0|2,0,0]=4 588 B11R1.192 CCNC1=CC(=C(C=C1)C)F Z2306658828 [1,1,0,0,0,0|2,0,0]=4 589 B11R1.192 CCNC1=CC(=C(C=C1)F)C Z2756154226 [1,1,0,0,0,0|2,0,0]=4 590 B11R1.192 CCNC1=CC(=C(C=C1)F)Cl Z286408112 [1,1,0,0,0,0|2,0,0]=4 591 B11R1.192 CCNC1=CC(=C(C=C1)F)F Z334934070 [1,1,0,0,0,0|2,0,0]=4 592 B11R1.192 CCOC1=CC(=C(C=C1)Br)F Z1185888453 [1,1,0,0,0,0|1,0,0]=3 593 B11R1.192 CCOC1=CC(=C(C=C1)Cl)N Z1255357315 [1,1,0,0,0,0|1,0,0]=3 594 B11R1.192 CCOC1=CC(=C(C=C1)N)F Z2327883785 [1,1,0,0,0,0|1,0,0]=3 595 B11R1.192 CNCC1=CC(=C(C=C1)Br)Br Z6011701708 [1,1,0,0,0,0|2,0,0]=4 596 B11R1.192 CNCC1=CC(=C(C=C1)Br)Cl Z5321384345 [1,1,0,0,0,0|2,0,0]=4 597 B11R1.192 CNCC1=CC(=C(C=C1)C)C Z2238897979 [1,1,0,0,0,0|2,0,0]=4 598 B11R1.192 CNCC1=CC(=C(C=C1)C)Cl Z5390415454 [1,1,0,0,0,0|2,0,0]=4 599 B11R1.192 CNCC1=CC(=C(C=C1)C)F Z385447006 [1,1,0,0,0,0|2,0,0]=4 600 B11R1.192 CNCC1=CC(=C(C=C1)Cl)Cl Z56963342 [1,1,0,0,0,0|2,0,0]=4 601 B11R1.192 CNCC1=CC(=C(C=C1)F)C Z1873867371 [1,1,0,0,0,0|2,0,0]=4 602 B11R1.192 CNCC1=CC(=C(C=C1)F)F Z102767736 [1,1,0,0,0,0|2,0,0]=4 603 B11R1.192 CSCC1=CC(=C(C=C1)Cl)N Z732207352 [1,1,0,0,0,0|1,1,0]=4 604 B11R1.192 NCCC1=CC(=C(C=C1)Br)Cl Z5222342336 [1,1,0,0,0,0|2,0,0]=4 605 B11R1.192 NCCC1=CC(=C(C=C1)Cl)Cl Z285143770 [1,1,0,0,0,0|2,0,0]=4 606 B11R1.192 NCCC1=CC(=C(C=C1)Cl)F Z2681241887 [1,1,0,0,0,0|2,0,0]=4 607 B11R1.192 NCCC1=CC(=C(C=C1)F)Br Z752370708 [1,1,0,0,0,0|2,0,0]=4 608 B11R1.192 NCCC1=CC(=C(C=C1)F)Cl Z4607148848 [1,1,0,0,0,0|2,0,0]=4 609 B11R1.192 NCCC1=CC(=C(C=C1)F)F Z1695670002 [1,1,0,0,0,0|2,0,0]=4 610 B11R1.192 NCCC1=CC(=C(C=C1)O)O Z104474032 [1,1,0,0,0,0|1,0,0]=3 611 B11R1.192 OCCC1=CC(=C(C=C1)Br)F Z1450935429 [1,1,0,0,0,0|2,0,0]=4 612 B11R1.192 OCCC1=CC(=C(C=C1)F)F Z1020788674 [1,1,0,0,0,0|2,0,0]=4 613 B11R1.192 OCCC1=CC(=C(C=C1)O)Cl Z1250886915 [1,1,0,0,0,0|1,0,0]=3 614 B11R1.16 CCCC(=O)C1=CC=CC=C1 Z104477742 [1,1,0,0,0,0|1,0,1]=4 615 B11R1.16 CCCC(N)C1=NC=CC=C1 Z513795928 [1,1,0,0,0,0|2,0,0]=4 616 B11R1.16 CCCC(O)C1=CC=CC=C1 Z335244704 [1,1,0,0,0,0|1,0,0]=3 617 B11R1.16 CCNC(C)C1=CC=NC=C1 Z1695709422 [1,1,0,0,0,0|2,0,0]=4 618 B11R1.16 CCNC(C)C1=CN=CC=C1 Z163548568 [1,1,0,0,0,0|2,0,0]=4 619 B11R1.16 CCOC(=O)C1=CC=CC=C1 Z53835169 [1,1,0,0,0,0|0,0,1]=3 620 B11R1.16 CCOC(=O)C1=CC=NC=C1 Z53833081 [1,1,0,0,0,0|1,0,1]=4 621 B11R1.16 CCOC(=O)C1=CN=CC=C1 Z104476924 [1,1,0,0,0,0|1,0,1]=4 622 B11R1.16 CNCC(C)C1=CC=CC=C1 Z57797325 [1,1,0,0,0,0|2,0,0]=4 623 B11R1.16 COCC(N)C1=CC=CC=C1 Z271013088 [1,1,0,0,0,0|2,0,0]=4 624 B11R1.16 CSCC(N)C1=CC=CC=C1 Z995116260 [1,1,0,0,0,0|2,0,0]=4 625 B11R1.16 NC(CCO)C1=CC=CC=C1 Z382816560 [1,1,0,0,0,0|2,0,0]=4 626 B11R1.16 NCCC(O)C1=CC=CC=C1 Z1020673398 [1,1,0,0,0,0|2,0,0]=4 627 B11R1.16 O[C@@H](CCCl)C1=CC=CC=C1 Z1255427232 [1,1,0,0,0,0|2,0,0]=4 628 B11R1.16 O[C@H](CCCl)C1=CC=CC=C1 Z1255356297 [1,1,0,0,0,0|2,0,0]=4 629 B11R1.17 CC1=C(C=CC=C1)CCCN Z424782962 [1,1,0,0,0,0|2,0,0]=4 630 B11R1.17 CC1=C(C=CC=C1)CCCO Z979436644 [1,1,0,0,0,0|2,0,0]=4 631 B11R1.17 CCCNC1=C(C=CC=C1)F Z334942896 [1,1,0,0,0,0|2,0,0]=4 632 B11R1.17 CCCNC1=C(C=CC=C1)N Z94601320 [1,1,0,0,0,0|2,0,0]=4 633 B11R1.17 CCCOC1=C(C=CC=C1)Br Z54722000 [1,1,0,0,0,0|2,0,0]=4 634 B11R1.17 CCCOC1=C(C=CC=C1)N Z56968930 [1,1,0,0,0,0|2,0,0]=4 635 B11R1.17 CCCOC1=C(C=CC=C1)O Z55993120 [1,1,0,0,0,0|2,0,0]=4 636 B11R1.17 CCNCC1=C(C=CC=C1)Br Z1982494002 [1,1,0,0,0,0|1,0,0]=3 637 B11R1.17 CCNCC1=C(C=CC=C1)C Z90513218 [1,1,0,0,0,0|1,0,0]=3 638 B11R1.17 CCNCC1=C(C=CC=C1)Cl Z90513164 [1,1,0,0,0,0|1,0,0]=3 639 B11R1.17 CCNCC1=C(C=CC=C1)F Z286282968 [1,1,0,0,0,0|1,0,0]=3 640 B11R1.17 CCNCC1=C(C=CC=C1)N Z2351947311 [1,1,0,0,0,0|1,0,0]=3 641 B11R1.17 CCOCC1=C(C=CC=C1)N Z285163822 [1,1,0,0,0,0|0,0,0]=2 642 B11R1.17 CCSCC1=C(N=CC=C1)N Z991493204 [1,1,0,0,0,0|1,1,0]=4 643 B11R1.17 CNCCC1=C(C=CC=C1)C Z2234185664 [1,1,0,0,0,0|2,0,0]=4 644 B11R1.17 CNCCC1=C(C=CC=C1)Cl Z4935566656 [1,1,0,0,0,0|2,0,0]=4 645 B11R1.17 CNCCC1=C(C=CC=C1)F Z163192604 [1,1,0,0,0,0|2,0,0]=4 646 B11R1.17 CNCCC1=C(C=CC=C1)O Z1665033474 [1,1,0,0,0,0|2,0,0]=4 647 B11R1.17 COCCC1=C(C=CC=C1)N Z992259832 [1,1,0,0,0,0|2,0,0]=4 648 B11R1.17 NC1=C(C=CC=C1)CCCO Z1198265858 [1,1,0,0,0,0|2,0,0]=4 649 B11R1.17 NCCCC1=C(C=CC=C1)Cl Z1695729033 [1,1,0,0,0,0|2,0,0]=4 650 B11R1.17 NCCCC1=C(C=CC=C1)F Z424783030 [1,1,0,0,0,0|2,0,0]=4 651 B11R1.17 OCCCC1=C(C=CC=C1)Br Z992949552 [1,1,0,0,0,0|2,0,0]=4 652 B11R1.24 CC1=CC(=CC=C1)CCCN Z4993130622 [1,1,0,0,0,0|2,0,0]=4 653 B11R1.24 CC1=CC(=CC=C1)CCCO Z979436642 [1,1,0,0,0,0|2,0,0]=4 654 B11R1.24 CCCOC1=CC(=CC=C1)Br Z54848718 [1,1,0,0,0,0|2,0,0]=4 655 B11R1.24 CCCOC1=CC(=CC=C1)N Z239604770 [1,1,0,0,0,0|2,0,0]=4 656 B11R1.24 CCCOC1=CC(=CC=C1)O Z381415572 [1,1,0,0,0,0|2,0,0]=4 657 B11R1.24 CCNCC1=CC(=CC=C1)Br Z1138763375 [1,1,0,0,0,0|1,0,0]=3 658 B11R1.24 CCNCC1=CC(=CC=C1)C Z90513252 [1,1,0,0,0,0|1,0,0]=3 659 B11R1.24 CCNCC1=CC(=CC=C1)Cl Z90513201 [1,1,0,0,0,0|1,0,0]=3 660 B11R1.24 CCNCC1=CC(=CC=C1)F Z85935746 [1,1,0,0,0,0|1,0,0]=3 661 B11R1.24 CCNCC1=CC(=CN=C1)Br Z3244742192 [1,1,0,0,0,0|2,0,0]=4 662 B11R1.24 CCNCC1=NC(=CC=C1)C Z385447500 [1,1,0,0,0,0|2,0,0]=4 663 B11R1.24 CCOCC1=CC(=CC=C1)N Z285163820 [1,1,0,0,0,0|0,0,0]=2 664 B11R1.24 CCSCC1=CC(=CC=C1)N Z332378038 [1,1,0,0,0,0|0,1,0]=3 665 B11R1.24 CNCCC1=CC(=CC=C1)Br Z2168282744 [1,1,0,0,0,0|2,0,0]=4 666 B11R1.24 CNCCC1=CC(=CC=C1)O Z4924737523 [1,1,0,0,0,0|2,0,0]=4 667 B11R1.24 COCCC1=CC(=CC=C1)O Z1513911027 [1,1,0,0,0,0|2,0,0]=4 668 B11R1.24 NC1=CC(=CC=C1)CCCO Z1198265859 [1,1,0,0,0,0|2,0,0]=4 669 B11R1.24 NCCCC1=CC(=CC=C1)Br Z1266823414 [1,1,0,0,0,0|2,0,0]=4 670 B11R1.24 NCCCC1=CC(=CC=C1)Cl Z1262246154 [1,1,0,0,0,0|2,0,0]=4 671 B11R1.24 NCCCC1=CC(=CC=C1)F Z424782946 [1,1,0,0,0,0|2,0,0]=4 672 B11R1.24 NCCCC1=CC(=CC=C1)O Z1895582955 [1,1,0,0,0,0|2,0,0]=4 673 B11R1.28 BrCCCOC1=CC=CC=C1 Z90122132 [1,1,0,0,0,0|2,0,0]=4 674 B11R1.28 C#CCNCC1=CC=CC=C1 Z2082999436 [1,1,0,0,0,0|1,0,1]=4 675 B11R1.28 C=CCNCC1=CC=CC=C1 Z86135577 [1,1,0,0,0,0|1,0,1]=4 676 B11R1.28 CCCCCC1=CC=CC=C1 Z199507042 [1,1,0,0,0,0|1,0,0]=3 677 B11R1.28 CCCCNC1=CC=NC=C1 Z359299136 [1,1,0,0,0,0|2,0,0]=4 678 B11R1.28 CCCNCC1=CC=CC=C1 Z56946091 [1,1,0,0,0,0|1,0,0]=3 679 B11R1.28 CCCNCC1=CC=NC=C1 Z3247723488 [1,1,0,0,0,0|2,0,0]=4 680 B11R1.28 CCCNCC1=CN=CC=C1 Z3247723489 [1,1,0,0,0,0|2,0,0]=4 681 B11R1.28 CCCNCC1=NC=CC=C1 Z4401052052 [1,1,0,0,0,0|2,0,0]=4 682 B11R1.28 CCNCCC1=CC=CC=C1 Z444350074 [1,1,0,0,0,0|1,0,0]=3 683 B11R1.28 CCNCCC1=NC=CC=C1 Z138534138 [1,1,0,0,0,0|2,0,0]=4 684 B11R1.28 CCOCCC1=CC=CC=C1 Z1198150519 [1,1,0,0,0,0|0,0,0]=2 685 B11R1.28 CNCCCC1=CC=CC=C1 Z102767020 [1,1,0,0,0,0|1,0,0]=3 686 B11R1.28 CNCCOC1=CC=CC=C1 Z56945505 [1,1,0,0,0,0|2,0,0]=4 687 B11R1.28 COCCNC1=CC=CC=C1 Z266463556 [1,1,0,0,0,0|2,0,0]=4 688 B11R1.28 ClCCCOC1=CC=CC=C1 Z275020186 [1,1,0,0,0,0|2,0,0]=4 689 B11R1.28 ClCCNCC1=CC=CC=C1 Z57158447 [1,1,0,0,0,0|1,0,0]=3 690 B11R1.28 N#CCNCC1=CC=CC=C1 Z266079624 [1,1,0,0,0,0|1,0,1]=4 691 B11R1.28 N#CCOCC1=CC=CC=C1 Z295205356 [1,1,0,0,0,0|0,0,1]=3 692 B11R1.28 N#CCSCC1=CC=CC=C1 Z54337756 [1,1,0,0,0,0|0,1,1]=4 693 B11R1.28 NCCCCC1=CC=CC=C1 Z2574929438 [1,1,0,0,0,0|1,0,0]=3 694 B11R1.28 NCCCCC1=CC=NC=C1 Z3234944907 [1,1,0,0,0,0|2,0,0]=4 695 B11R1.28 NCCCNC1=CC=CC=C1 Z756919512 [1,1,0,0,0,0|2,0,0]=4 696 B11R1.28 NCCCOC1=CC=CC=C1 Z234895129 [1,1,0,0,0,0|2,0,0]=4 697 B11R1.28 NCCCSC1=CC=CC=C1 Z262222134 [1,1,0,0,0,0|2,0,0]=4 698 B11R1.28 NCCNCC1=NC=CC=C1 Z600492946 [1,1,0,0,0,0|2,0,0]=4 699 B11R1.28 NCCOCC1=CC=CC=C1 Z271005946 [1,1,0,0,0,0|0,0,0]=2 700 B11R1.28 O=CCCCC1=CC=CC=C1 Z993017616 [1,1,0,0,0,0|1,0,1]=4 701 B11R1.28 O=CCOCC1=CC=CC=C1 Z906195396 [1,1,0,0,0,0|0,0,1]=3 702 B11R1.28 O=CCSCC1=CC=CC=C1 Z854102762 [1,1,0,0,0,0|0,1,1]=4 703 B11R1.28 OCCCNC1=CC=CC=C1 Z104584292 [1,1,0,0,0,0|2,0,0]=4 704 B11R1.28 OCCCSC1=CC=CC=C1 Z104650330 [1,1,0,0,0,0|2,0,0]=4 705 B11R1.28 OCCNCC1=CN=CC=C1 Z90504502 [1,1,0,0,0,0|2,0,0]=4 706 B11R1.28 OCCOCC1=CC=CC=C1 Z854223062 [1,1,0,0,0,0|0,0,0]=2 707 B11R1.40 CCC(=O)CC1=CN=CC=C1 Z992407884 [1,1,0,0,0,0|2,0,0]=4 708 B11R1.40 CCC(N)CC1=CC=CC=C1 Z431980016 [1,1,0,0,0,0|1,0,0]=3 709 B11R1.40 CCC(O)CC1=CC=CC=C1 Z513749284 [1,1,0,0,0,0|1,0,0]=3 710 B11R1.40 CCC(O)CC1=CC=NC=C1 Z992409862 [1,1,0,0,0,0|2,0,0]=4 711 B11R1.40 CC[C@@H](O)CC1=CC=CC=C1 Z1262397064 [1,1,0,0,0,0|1,0,0]=3 712 B11R1.40 CC[C@H](O)CC1=CC=CC=C1 Z1262397065 [1,1,0,0,0,0|1,0,0]=3 713 B11R1.40 NC(CO)CC1=CC=CC=C1 Z234898263 [1,1,0,0,0,0|2,0,0]=4 714 B11R1.40 NCC(=O)CC1=CC=CC=C1 Z1569708978 [1,1,0,0,0,0|2,0,0]=4 715 B11R1.40 NCC(F)CC1=CC=CC=C1 Z2740416678 [1,1,0,0,0,0|2,0,0]=4 716 B11R1.40 NCC(N)CC1=CC=CC=C1 Z425861056 [1,1,0,0,0,0|2,0,0]=4 717 B11R1.40 NCC(O)CC1=CC=CC=C1 Z419084966 [1,1,0,0,0,0|2,0,0]=4 718 B11R1.40 N[C@@H](CO)CC1=CC=CC=C1 Z1157651018 [1,1,0,0,0,0|2,0,0]=4 719 B11R1.40 N[C@H](CO)CC1=CC=CC=C1 Z1741982891 [1,1,0,0,0,0|2,0,0]=4 720 B11R1.40 O=C(CCl)CC1=CC=CC=C1 Z164706024 [1,1,0,0,0,0|2,0,0]=4 721 B11R1.91 CC(=O)NCC1=CC=CC=C1 Z27749489 [1,1,0,0,0,0|1,0,1]=4 722 B11R1.91 CC(=O)OCC1=CC=CC=C1 Z19628364 [1,1,0,0,0,0|0,0,1]=3 723 B11R1.91 CC(C)CNC1=CC=CC=C1 Z2092369729 [1,1,0,0,0,0|2,0,0]=4 724 B11R1.91 CC(C)NCC1=CN=CC=C1 Z90502194 [1,1,0,0,0,0|2,0,0]=4 725 B11R1.91 CC(C)NCC1=NC=CC=C1 Z90502192 [1,1,0,0,0,0|2,0,0]=4 726 B11R1.91 CC(N)CCC1=CC=CC=C1 Z104476462 [1,1,0,0,0,0|1,0,0]=3 727 B11R1.91 CC(N)COC1=CC=CC=C1 Z600397650 [1,1,0,0,0,0|2,0,0]=4 728 B11R1.91 CC(O)CNC1=CC=CC=C1 Z234898271 [1,1,0,0,0,0|2,0,0]=4 729 B11R1.91 CN(C)CCC1=CC=CC=C1 Z168912026 [1,1,0,0,0,0|2,0,0]=4 730 B11R1.91 C[C@H](N)CCC1=CC=CC=C1 Z5044990030 [1,1,0,0,0,0|1,0,0]=3 731 B11R1.91 FC(F)SCC1=CC=CC=C1 Z55626056 [1,1,0,0,0,0|1,1,0]=4 732 B11R1.91 NC(=O)OCC1=CC=CC=C1 Z33547079 [1,1,0,0,0,0|1,0,1]=4 733 B11R1.214 CCOCC1=CC=C(O1)C=O Z1198171016 [0,1,0,0,1,0|1,0,1]=4 734 B13R1.9 CC1=CC=C(C=C1)OCCCCN Z285166766 [0,2,0,0,0,0|2,0,0]=4 735 B13R1.9 CCCCCOC1=CC=C(C=C1)N Z4968222963 [0,2,0,0,0,0|2,0,0]=4 736 B13R1.9 CCCCCOC1=CC=C(C=C1)O Z56899109 [0,2,0,0,0,0|1,0,0]=3 737 B13R1.9 CCNCCOC1=CC=C(C=C1)Br Z1262398522 [0,2,0,0,0,0|2,0,0]=4 738 B13R1.9 CCOCCNC1=CC=C(C=C1)Cl Z2266149364 [0,2,0,0,0,0|1,0,0]=3 739 B13R1.9 CCOCCSC1=NC=C(C=C1)Br Z333868144 [0,2,0,0,0,0|2,0,0]=4 740 B13R1.9 CNCCCOC1=CC=C(C=C1)Br Z3002757594 [0,2,0,0,0,0|2,0,0]=4 741 B13R1.9 CNCCCOC1=CC=C(C=C1)F Z394693474 [0,2,0,0,0,0|2,0,0]=4 742 B13R1.9 COCCCNC1=CC=C(C=C1)C Z608346034 [0,2,0,0,0,0|2,0,0]=4 743 B13R1.9 COCCCSC1=CC=C(C=C1)N Z608346568 [0,2,0,0,0,0|2,0,0]=4 744 B13R1.9 COCCNCC1=CC=C(C=C1)F Z86129589 [0,2,0,0,0,0|2,0,0]=4 745 B13R1.9 NC1=CC=C(C=C1)CCNCCO Z1251358284 [0,2,0,0,0,0|2,0,0]=4 746 B13R1.9 NCCCCCC1=CC=C(C=C1)Br Z3327815448 [0,2,0,0,0,0|2,0,0]=4 747 B13R1.9 NCCCCCC1=CC=C(C=C1)Cl Z4525234042 [0,2,0,0,0,0|2,0,0]=4 748 B13R1.9 NCCCCCC1=CC=C(C=C1)F Z1255496234 [0,2,0,0,0,0|2,0,0]=4 749 B13R1.9 NCCCCOC1=CC=C(C=C1)F Z119967286 [0,2,0,0,0,0|2,0,0]=4 750 B13R1.14 CCC(=O)CCC1=CC=C(C=C1)Br Z406378158 [0,2,0,0,0,0|2,0,0]=4 751 B13R1.14 CCC(=O)CSC1=CC=C(C=C1)Cl Z916925670 [0,2,0,0,0,0|2,0,0]=4 752 B13R1.14 CNC(=O)COC1=CC=C(C=C1)O Z381414890 [0,2,0,0,0,0|2,0,0]=4 753 B13R1.14 CNC(C)CCC1=CC=C(C=C1)O Z3215375352 [0,2,0,0,0,0|1,0,0]=3 754 B13R1.14 COC(=O)CCC1=CC=C(C=C1)O Z796576156 [0,2,0,0,0,0|1,0,1]=4 755 B13R1.14 COC(=O)COC1=CC=C(C=C1)O Z1190318463 [0,2,0,0,0,0|2,0,0]=4 756 B13R1.17 CCCCC(=O)C1=CC=C(C=C1)F Z104483210 [0,2,0,0,0,0|2,0,0]=4 757 B13R1.17 CCCCN(C)C1=CC=C(C=C1)N Z285202632 [0,2,0,0,0,0|2,0,0]=4 758 B13R1.17 CCCOC(=O)C1=CC=C(C=C1)C Z53835724 [0,2,0,0,0,0|1,0,1]=4 759 B13R1.17 CCCOC(=O)C1=CC=C(C=C1)Cl Z53833147 [0,2,0,0,0,0|1,0,1]=4 760 B13R1.17 CCNCC(O)C1=CC=C(C=C1)C Z1020680862 [0,2,0,0,0,0|2,0,0]=4 761 B13R1.17 COCCC(N)C1=CC=C(C=C1)Cl Z1416200955 [0,2,0,0,0,0|2,0,0]=4 762 B13R1.17 NCCNC(=O)C1=CC=C(C=C1)O Z285197958 [0,2,0,0,0,0|1,0,1]=4 763 B13R1.17 O=C(NCCO)C1=CC=C(C=C1)O Z253505576 [0,2,0,0,0,0|1,0,1]=4 764 B13R1.17 OCCCC(O)C1=CC=C(C=C1)F Z1251359270 [0,2,0,0,0,0|2,0,0]=4 765 B13R1.19 CCCS(=O)CC1=CC=C(C=C1)Br Z2933960114 [0,2,0,0,0,0|1,1,0]=4 766 B13R1.19 CCNC(=O)CC1=CC=C(C=C1)F Z32024691 [0,2,0,0,0,0|2,0,0]=4 767 B13R1.19 CCNC(=O)CC1=CC=C(C=C1)N Z239124818 [0,2,0,0,0,0|2,0,0]=4 768 B13R1.19 CCOC(=O)CC1=CC=C(C=C1)F Z53835949 [0,2,0,0,0,0|1,0,0]=3 769 B13R1.19 CCOC(=O)CC1=NC=C(C=C1)N Z1262633765 [0,2,0,0,0,0|2,0,0]=4 770 B13R1.19 CCOC(=O)CC1=NC=C(C=N1)O Z1813344960 [0,2,0,0,0,0|2,0,0]=4 771 B13R1.19 CCOC(=O)NC1=CC=C(C=C1)Br Z31510257 [0,2,0,0,0,0|1,0,1]=4 772 B13R1.19 CCOC(=O)NC1=CC=C(C=C1)I Z32028321 [0,2,0,0,0,0|1,0,1]=4 773 B13R1.19 CCOC(=O)NC1=CC=C(C=C1)N Z283822580 [0,2,0,0,0,0|1,0,1]=4 774 B13R1.19 CCOC(=O)NC1=CC=C(C=C1)O Z64464377 [0,2,0,0,0,0|0,0,1]=3 775 B13R1.19 CNCC(=O)NC1=CC=C(C=C1)O Z1162448845 [0,2,0,0,0,0|2,0,0]=4 776 B13R1.19 CSCC(=O)NC1=CC=C(C=C1)O Z351737026 [0,2,0,0,0,0|2,0,0]=4 777 B13R1.19 O=C(CCCl)NC1=CC=C(C=C1)O Z425490042 [0,2,0,0,0,0|2,0,0]=4 778 B13R1.19 O=S(CCO)CC1=CC=C(C=C1)I Z1614747420 [0,2,0,0,0,0|1,1,0]=4 779 B13R1.369 CCCCOC1=C(C=C(C=C1)C)Br Z291788284 [0,2,0,0,0,0|2,0,0]=4 780 B13R1.369 NCCOCC1=C(C=C(C=C1)Cl)Cl Z976679226 [0,2,0,0,0,0|1,0,0]=3 781 B13R1.369 NCCSCC1=C(C=C(C=C1)Cl)Cl Z317061354 [0,2,0,0,0,0|1,1,0]=4 782 B13R1.369 OCCSCC1=C(C=C(C=C1)Br)F Z292821910 [0,2,0,0,0,0|1,1,0]=4 783 B13R1.371 C=CCNCC1=CC=C(C=C1)OC Z89283335 [0,2,0,0,0,0|1,0,1]=4 784 B13R1.371 CCCCOC1=CC=C(C=C1)C=O Z57887685 [0,2,0,0,0,0|1,0,1]=4 785 B13R1.371 CCCNCC1=CC=C(C=C1)C#N Z123980064 [0,2,0,0,0,0|2,0,0]=4 786 B13R1.371 CCCNCC1=CC=C(C=C1)OC Z2689031662 [0,2,0,0,0,0|1,0,0]=3 787 B13R1.371 CCOCOC1=CC=C(C=C1)C=O Z1259228789 [0,2,0,0,0,0|0,0,1]=3 788 B13R1.371 CNCCCC1=CC=C(C=C1)OC Z385446946 [0,2,0,0,0,0|1,0,0]=3 789 B13R1.371 CNCCOC1=CC=C(C=C1)OC Z85917518 [0,2,0,0,0,0|2,0,0]=4 790 B13R1.371 COC1=CC=C(C=C1)CCCCN Z1198155601 [0,2,0,0,0,0|1,0,0]=3 791 B13R1.371 COC1=CC=C(C=C1)COCC=O Z906205198 [0,2,0,0,0,0|0,0,1]=3 792 B13R1.371 COC1=CC=C(C=C1)COCCN Z335080350 [0,2,0,0,0,0|0,0,0]=2 793 B13R1.371 COC1=CC=C(C=C1)NCCCO Z104638312 [0,2,0,0,0,0|2,0,0]=4 794 B13R1.371 COC1=CC=C(C=C1)OCCCBr Z104508746 [0,2,0,0,0,0|2,0,0]=4 795 B13R1.371 COC1=CC=C(C=C1)OCCCN Z271006116 [0,2,0,0,0,0|2,0,0]=4 796 B13R1.371 N#CC1=CC=C(C=C1)CNCCF Z1416227266 [0,2,0,0,0,0|2,0,0]=4 797 B13R1.513 CC(C)CCOC1=CC=C(C=C1)N Z239604712 [0,2,0,0,0,0|2,0,0]=4 798 B13R1.513 CC(C)CNCC1=CC=C(C=C1)Cl Z3300708565 [0,2,0,0,0,0|2,0,0]=4 799 B13R1.513 CC(C)NCCC1=CC=C(C=C1)F Z3950920670 [0,2,0,0,0,0|2,0,0]=4 800 B13R1.513 CC1=CC=C(C=C1)COCC(=O)O Z2630879936 [0,2,0,0,0,0|1,0,1]=4 801 B13R1.513 CN(C)CCOC1=CC=C(C=C1)O Z3484324847 [0,2,0,0,0,0|2,0,0]=4 802 B13R1.513 O=C(O)CCCC1=CC=C(C=C1)O Z1201617656 [0,2,0,0,0,0|1,0,1]=4 803 B13R1.669 CC1=C(C=C(C=C1)CCCCO)C Z1198339107 [0,2,0,0,0,0|2,0,0]=4 804 B13R1.669 CCCCOC1=CC(=C(C=C1)N)C Z239604798 [0,2,0,0,0,0|2,0,0]=4 805 B13R1.669 OCCNCC1=CC(=C(C=C1)Cl)Cl Z90504544 [0,2,0,0,0,0|2,0,0]=4 806 B13R1.669 OCCNCC1=CC(=C(C=C1)F)Br Z90504976 [0,2,0,0,0,0|2,0,0]=4 807 B13R1.669 OCCNCC1=CC(=C(C=C1)F)F Z90504971 [0,2,0,0,0,0|2,0,0]=4 808 B13R1.1 CCNC(CC)C1=CC=C(C=C1)C Z234893981 [0,2,0,0,0,0|2,0,0]=4 809 B13R1.1 CCOC(C#N)C1=CC=C(C=C1)C Z1270207120 [0,2,0,0,0,0|1,0,0]=3 810 B13R1.21 CCC(C)C(N)C1=CC=C(C=C1)Cl Z291232760 [0,2,0,0,0,0|2,0,0]=4 811 B13R1.29 CCOS(=O)(=O)C1=CC=C(C=C1)C Z57169563 [0,2,0,0,0,0|2,0,0]=4 812 B13R1.132 CC(C)CC(N)C1=CC=C(C=C1)Cl Z291232734 [0,2,0,0,0,0|2,0,0]=4 813 B13R1.132 CC(C)OC(=O)C1=CC=C(C=C1)Cl Z53833146 [0,2,0,0,0,0|1,0,1]=4 814 B13R1.132 CC(C)OC(=O)C1=CC=C(C=C1)N Z54178707 [0,2,0,0,0,0|1,0,1]=4 815 B13R1.132 CC(C)OC(=O)C1=CC=C(C=C1)O Z53833637 [0,2,0,0,0,0|0,0,1]=3 816 B13R1.132 CC(N)CC(O)C1=CC=C(C=C1)F Z1424669539 [0,2,0,0,0,0|2,0,0]=4 817 B13R1.452 CCCC(=O)C1=CC=C(C=C1)OC Z385418282 [0,2,0,0,0,0|1,0,1]=4 818 B13R1.452 CCCC(N)C1=CC=C(C=C1)OC Z1509094932 [0,2,0,0,0,0|1,0,0]=3 819 B13R1.452 CCNC(=O)C1=CC=C(C=C1)OC Z32024428 [0,2,0,0,0,0|1,0,1]=4 820 B13R1.452 CCNC(C)C1=CC=C(C=C1)C#N Z425389800 [0,2,0,0,0,0|2,0,0]=4 821 B13R1.452 CCOC(=O)C1=CC=C(C=C1)CN Z56788169 [0,2,0,0,0,0|1,0,1]=4 822 B13R1.452 CCOC(=O)C1=CC=C(C=C1)SC Z292454850 [0,2,0,0,0,0|0,1,1]=4 823 B13R1.452 COC1=CC=C(C=C1)C(C)CCN Z851015012 [0,2,0,0,0,0|2,0,0]=4 824 B13R1.466 CCCC(N)C1=CC(=C(C=C1)Br)F Z5496163501 [0,2,0,0,0,0|2,0,0]=4 825 B13R1.466 CCCC(N)C1=CC(=C(C=C1)Cl)Cl Z1262246201 [0,2,0,0,0,0|2,0,0]=4 826 B13R1.466 CCOC(=O)C1=CC(=C(C=C1)Br)Cl Z1269181841 [0,2,0,0,0,0|1,0,1]=4 827 B13R1.466 CCOC(=O)C1=CC(=C(C=C1)Cl)N Z53836841 [0,2,0,0,0,0|1,0,1]=4 828 B13R1.466 CCOC(=O)C1=CC(=C(C=C1)F)F Z292646542 [0,2,0,0,0,0|1,0,1]=4 829 B13R1.466 CCOC(=O)C1=CC(=C(C=C1)I)N Z1079174236 [0,2,0,0,0,0|1,0,1]=4 830 B13R1.466 CCOC(=O)C1=CC(=C(C=C1)N)Br Z300089520 [0,2,0,0,0,0|1,0,1]=4 831 B13R1.466 CCOC(=O)C1=CC(=C(C=C1)N)Cl Z3847061950 [0,2,0,0,0,0|1,0,1]=4 832 B13R1.466 CCOC(=O)C1=CC(=C(C=C1)N)O Z594210704 [0,2,0,0,0,0|1,0,1]=4 833 B13R1.466 CNCC(O)C1=CC(=C(C=C1)O)C Z1262591397 [0,2,0,0,0,0|2,0,0]=4 834 B13R1.466 CNC[C@@H](O)C1=CC(=C(C=C1)O)O Z1198154207 [0,2,0,0,0,0|2,0,0]=4 835 B13R1.466 CNC[C@H](O)C1=CC(=C(C=C1)O)O Z1255449978 [0,2,0,0,0,0|2,0,0]=4 836 B13R1.1511 CCCC(N)C1=C(C=C(C=C1)F)F Z335236702 [0,2,0,0,0,0|2,0,0]=4 837 B13R1.1511 CCOC(=O)C1=C(C=C(C=C1)F)Br Z283348920 [0,2,0,0,0,0|1,0,1]=4 838 B13R1.1511 CCOC(=O)C1=C(C=C(C=C1)F)C Z1198166822 [0,2,0,0,0,0|1,0,1]=4 839 B13R1.1511 CCOC(=O)C1=C(C=C(C=C1)F)F Z53836105 [0,2,0,0,0,0|1,0,1]=4 840 B13R1.1511 CCOC(=O)C1=CNC(=CC1=O)O Z1270640440 [0,2,0,0,0,0|1,0,1]=4 841 B13R1.3 CC(C)COC1=CC=C(C=C1)CO Z54649982 [0,2,0,0,0,0|2,0,0]=4 842 B13R1.3 CC(C)CSC1=CC=C(C=C1)CO Z1157828032 [0,2,0,0,0,0|2,0,0]=4 843 B13R1.3 CC(C)NCC1=CC=C(C=C1)C#N Z1262398475 [0,2,0,0,0,0|2,0,0]=4 844 B13R1.3 CC(C)OCC1=CC=C(C=C1)CN Z285179136 [0,2,0,0,0,0|1,0,0]=3 845 B13R1.3 COC1=CC=C(C=C1)CCC(C)N Z278080480 [0,2,0,0,0,0|1,0,0]=3 846 B13R1.3 COC1=CC=C(C=C1)CCN(C)C Z168912118 [0,2,0,0,0,0|2,0,0]=4 847 B13R1.3 COC1=CC=C(C=C1)NCC(C)C Z2327691573 [0,2,0,0,0,0|2,0,0]=4 848 B13R1.133 CC(C)C(=O)CC1=CC=C(C=C1)Br Z513733696 [0,2,0,0,0,0|2,0,0]=4 849 B13R1.133 CC(C)C(=O)CC1=CC=C(C=C1)Cl Z513734254 [0,2,0,0,0,0|2,0,0]=4 850 B13R1.133 CC(C)C(=O)CC1=CC=C(C=C1)F Z513734502 [0,2,0,0,0,0|2,0,0]=4 851 B13R1.133 CC(C)C(=O)NC1=CC=C(C=C1)O Z335807310 [0,2,0,0,0,0|2,0,0]=4 852 B13R1.133 CC(C)C(N)CC1=CC=C(C=C1)Cl Z513796444 [0,2,0,0,0,0|2,0,0]=4 853 B13R1.133 CC(C)C(N)CC1=CC=C(C=C1)F Z513796714 [0,2,0,0,0,0|2,0,0]=4 854 B13R1.133 CC(C)C(O)CC1=CC=C(C=C1)F Z513750262 [0,2,0,0,0,0|2,0,0]=4 855 B13R1.133 CC1=CC=C(C=C1)CC(=O)C(C)C Z513734840 [0,2,0,0,0,0|2,0,0]=4 856 B13R1.511 CC(=O)CCC1=CC(=C(C=C1)O)F Z1083021660 [0,2,0,0,0,0|1,0,1]=4 857 B13R1.511 CC(=O)OCC1=CC(=O)C(=CO1)O Z1235828823 [0,2,0,0,0,0|1,0,1]=4 858 B13R1.511 CC(C)NCC1=CC(=C(C=C1)Cl)Cl Z86129869 [0,2,0,0,0,0|2,0,0]=4 859 B13R1.511 CC(N)CCC1=CC(=C(C=C1)F)F Z1123686389 [0,2,0,0,0,0|2,0,0]=4 860 B13R1.511 CN(C)CCC1=CC(=C(C=C1)O)O Z1501469796 [0,2,0,0,0,0|2,0,0]=4 861 B13R1.512 CC(C)(C)NCC1=CC=C(C=C1)F Z56174013 [0,2,0,0,0,0|2,0,0]=4 862 B13R1.512 CC(C)(C)NCC1=CC=C(C=C1)O Z812516912 [0,2,0,0,0,0|1,0,0]=3 863 B13R1.512 CC(C)(C)OCC1=CC=C(C=C1)N Z362797126 [0,2,0,0,0,0|1,0,0]=3 864 B13R1.5 COC1=CC=C(C=C1)CC(C)CN Z992310982 [0,2,0,0,0,0|2,0,0]=4 865 B13R1.145 CCC(CC1=CC=C(C=C1)C)NC Z513804920 [0,2,0,0,0,0|2,0,0]=4 866 B13R1.249 CCS(=O)(=O)CC1=CC=C(C=C1)I Z1587466067 [0,2,0,0,0,0|1,1,0]=4 867 B13R1.249 CCS(=O)(=O)CC1=CC=C(C=C1)N Z424777372 [0,2,0,0,0,0|1,1,0]=4 868 B13R1.2679 CCC(=O)CC1=C(C=C(C=C1)Cl)Cl Z513734962 [0,2,0,0,0,0|2,0,0]=4 869 B13R1.2679 CCC(N)CC1=C(C=C(C=C1)Cl)Cl Z431980076 [0,2,0,0,0,0|2,0,0]=4 870 B13R1.2879 CCC(=O)NC1=CC(=C(C=C1)O)C Z1462270632 [0,2,0,0,0,0|2,0,0]=4 871 B13R1.2879 COC(=O)CC1=CC(=C(C=C1)O)F Z1255453601 [0,2,0,0,0,0|2,0,0]=4 872 B13R1.2879 COC(=O)CC1=CC(=C(C=C1)O)N Z1201622979 [0,2,0,0,0,0|2,0,0]=4 873 B13R1.75 CCNCC1=C(C=C(C=C1)C#N)F Z1263806890 [0,2,0,0,0,0|2,0,0]=4 874 B13R1.75 COC1=CC(=C(C=C1)CCCO)C Z1198265545 [0,2,0,0,0,0|2,0,0]=4 875 B13R1.74 CCCCC1=CC=C(C=C1)B(O)O Z336080182 [0,2,0,0,0,0|1,0,0]=3 876 B13R1.74 CCCCC1=CC=C(C=C1)C(=O)O Z57169481 [0,2,0,0,0,0|1,0,0]=3 877 B13R1.74 CCCOC1=CC=C(C=C1)C(=O)O Z56862795 [0,2,0,0,0,0|2,0,0]=4 878 B13R1.74 CCCSC1=CC=C(C=C1)C(=O)O Z239951692 [0,2,0,0,0,0|2,0,0]=4 879 B13R1.74 CCNCC1=CC=C(C=C1)N(C)C Z57327179 [0,2,0,0,0,0|2,0,0]=4 880 B13R1.74 CCSCC1=CC=C(C=C1)C(=O)O Z149347580 [0,2,0,0,0,0|0,1,0]=3 881 B13R1.74 COCCC1=CC=C(C=C1)B(O)O Z381541066 [0,2,0,0,0,0|2,0,0]=4 882 B13R1.74 NCCCC1=CC=C(C=C1)C(=O)O Z4493174887 [0,2,0,0,0,0|2,0,0]=4 883 B13R1.77 CCCCC1=CC=C(C=C1)N=C=S Z57033919 [0,2,0,0,0,0|1,1,0]=4 884 B13R1.77 CCOC1=CC=C(C=C1)CCNC Z2941651413 [0,2,0,0,0,0|2,0,0]=4 885 B13R1.577 CCNCC1=CC(=C(C=C1)OC)F Z85956705 [0,2,0,0,0,0|1,0,0]=3 886 B13R1.577 CNCCC1=CC(=C(C=C1)OC)F Z5105882170 [0,2,0,0,0,0|2,0,0]=4 887 B13R1.577 COC1=C(C=C(C=C1)CCCN)Br Z5847596118 [0,2,0,0,0,0|2,0,0]=4 888 B13R1.577 COC1=C(C=C(C=C1)CCCN)O Z3599685490 [0,2,0,0,0,0|2,0,0]=4 889 B13R1.575 CCCCC1=CC(=C(C=C1)N)C#N Z1532769889 [0,2,0,0,0,0|2,0,0]=4 890 B13R1.575 CCCCC1=CC(=C(C=C1)O)C=O Z1504264331 [0,2,0,0,0,0|1,0,0]=3 891 B13R1.575 CNCCC1=CC(=C(C=C1)O)OC Z4437707719 [0,2,0,0,0,0|2,0,0]=4 892 B13R1.575 COCCC1=CC(=C(C=C1)O)C=O Z979493242 [0,2,0,0,0,0|2,0,0]=4 893 B11R1.182 CCOC1=C(C=CC(=C1)O)N Z1837073495 [0,0,1,1,0,0|1,0,1]=4 894 B11R2.34 BrC1=CC=C(C=C1)C2CO2 Z278165164 [1,0,0,1,0,0|1,0,0]=3 895 B11R2.34 BrC1=CC=C(C=C1)[C@@H]2CO2 Z1198177141 [1,0,0,1,0,0|1,0,0]=3 896 B11R2.34 BrC1=CC=C(C=C1)[C@H]2CO2 Z1198177142 [1,0,0,1,0,0|1,0,0]=3 897 B11R2.34 BrC1=CN=C(C=C1)C2CC2 Z2943484009 [1,0,0,1,0,0|2,0,0]=4 898 B11R2.34 CC1=CC=C(C=C1)C2CO2 Z278165170 [1,0,0,1,0,0|1,0,0]=3 899 B11R2.34 CC1=NC=C(C=C1)C2CO2 Z1504684436 [1,0,0,1,0,0|2,0,0]=4 900 B11R2.34 ClC1=CC=C(C=C1)C2CO2 Z274971352 [1,0,0,1,0,0|1,0,0]=3 901 B11R2.34 ClC1=CC=C(C=C1)[C@@H]2CO2 Z1255450845 [1,0,0,1,0,0|1,0,0]=3 902 B11R2.34 ClC1=CC=C(C=C1)[C@H]2CO2 Z1198173162 [1,0,0,1,0,0|1,0,0]=3 903 B11R2.34 FC1=CC=C(C=C1)C2CO2 Z238878272 [1,0,0,1,0,0|1,0,0]=3 904 B11R2.34 FC1=CC=C(C=C1)[C@@H]2CO2 Z1255365381 [1,0,0,1,0,0|1,0,0]=3 905 B11R2.34 FC1=CC=C(C=C1)[C@H]2CO2 Z1255356921 [1,0,0,1,0,0|1,0,0]=3 906 B11R2.34 FC1=CN=C(C=C1)C2CO2 Z1575327880 [1,0,0,1,0,0|2,0,0]=4 907 B11R2.34 OC1=CN=C(N=C1)C2CC2 Z1255433581 [1,0,0,1,0,0|2,0,0]=4 908 B11R2.36 BrC1=CC2=C(C=C1)CCC2 Z359513410 [1,0,0,1,0,0|1,0,0]=3 909 B11R2.36 BrC1=CC2=C(C=C1)CCN2 Z1267773746 [1,0,0,1,0,0|2,0,0]=4 910 B11R2.36 BrC1=CC2=C(C=C1)CCO2 Z1198181832 [1,0,0,1,0,0|2,0,0]=4 911 B11R2.36 BrC1=CC2=C(C=C1)CNC2 Z1694636353 [1,0,0,1,0,0|2,0,0]=4 912 B11R2.36 BrC1=CC2=C(C=C1)COC2 Z1079162022 [1,0,0,1,0,0|1,0,0]=3 913 B11R2.36 BrC1=CC2=C(C=C1)OCC2 Z299596228 [1,0,0,1,0,0|1,0,0]=3 914 B11R2.36 BrC1=CC2=C(C=C1)OCO2 Z1269199980 [1,0,0,1,0,0|2,0,0]=4 915 B11R2.36 BrC1=CC2=C(CCC2)N=C1 Z1198182024 [1,0,0,1,0,0|2,0,0]=4 916 B11R2.36 BrC1=CC2=C(COC2)N=C1 Z1269164644 [1,0,0,1,0,0|2,0,0]=4 917 B11R2.36 BrC1=CC2=C(N=C1)OCC2 Z1269230252 [1,0,0,1,0,0|2,0,0]=4 918 B11R2.36 CC1=CC2=C(C=C1)CCN2 Z1269638555 [1,0,0,1,0,0|2,0,0]=4 919 B11R2.36 CC1=CC2=C(C=C1)CNC2 Z2238336530 [1,0,0,1,0,0|2,0,0]=4 920 B11R2.36 CC1=CC2=C(C=C1)NCC2 Z235539062 [1,0,0,1,0,0|2,0,0]=4 921 B11R2.36 CC1=CC2=C(C=C1)OCO2 Z1255364672 [1,0,0,1,0,0|2,0,0]=4 922 B11R2.36 ClC1=CC2=C(C=C1)CCC2 Z1198234594 [1,0,0,1,0,0|1,0,0]=3 923 B11R2.36 ClC1=CC2=C(C=C1)CCN2 Z926915320 [1,0,0,1,0,0|2,0,0]=4 924 B11R2.36 ClC1=CC2=C(C=C1)CNC2 Z1198319382 [1,0,0,1,0,0|2,0,0]=4 925 B11R2.36 ClC1=CC2=C(C=C1)NCC2 Z235537274 [1,0,0,1,0,0|2,0,0]=4 926 B11R2.36 FC1=CC2=C(C=C1)CCN2 Z440803576 [1,0,0,1,0,0|2,0,0]=4 927 B11R2.36 FC1=CC2=C(C=C1)CNC2 Z1094758928 [1,0,0,1,0,0|2,0,0]=4 928 B11R2.36 FC1=CC2=C(N=C1)OCC2 Z2732449946 [1,0,0,1,0,0|2,0,0]=4 929 B11R2.36 IC1=CC2=C(C=C1)CCC2 Z381540774 [1,0,0,1,0,0|1,0,0]=3 930 B11R2.36 IC1=CC2=C(C=C1)OCO2 Z381540748 [1,0,0,1,0,0|2,0,0]=4 931 B11R2.36 NC1=CC2=C(C=C1)CCO2 Z1203579091 [1,0,0,1,0,0|2,0,0]=4 932 B11R2.36 NC1=CC2=C(C=C1)CCS2 Z1198181342 [1,0,0,1,0,0|2,0,0]=4 933 B11R2.36 NC1=CC2=C(C=C1)CNC2 Z1192340875 [1,0,0,1,0,0|2,0,0]=4 934 B11R2.36 NC1=CC2=C(C=C1)COC2 Z995041906 [1,0,0,1,0,0|1,0,0]=3 935 B11R2.36 NC1=NC2=C(C=C1)CCC2 Z1198183883 [1,0,0,1,0,0|2,0,0]=4 936 B11R2.36 NC1=NC2=C(C=C1)OCC2 Z1203582734 [1,0,0,1,0,0|2,0,0]=4 937 B11R2.36 O=C1C=C2CCCC2=CN1 Z1255494860 [1,0,0,1,0,0|1,0,1]=4 938 B11R2.36 O=C1C=CC2=C(N1)CCC2 Z234895263 [1,0,0,1,0,0|1,0,1]=4 939 B11R2.36 OC1=CC2=C(C=C1)CCN2 Z3241260546 [1,0,0,1,0,0|1,0,0]=3 940 B11R2.36 OC1=CC2=C(C=C1)CNC2 Z2489383861 [1,0,0,1,0,0|1,0,0]=3 941 B11R2.36 OC1=CC2=C(C=C1)OC=N2 Z1198313500 [1,0,0,1,0,0|1,0,1]=4 942 B11R2.36 OC1=CC2=C(C=C1)OCC2 Z1198182902 [1,0,0,1,0,0|0,0,0]=2 943 B11R2.36 OC1=CC2=C(C=C1)OCO2 Z104473678 [1,0,0,1,0,0|1,0,0]=3 944 B11R2.36 OC1=CC2=C(CCC2)N=C1 Z1255498919 [1,0,0,1,0,0|1,0,0]=3 945 B11R2.36 OC1=CC2=C(N=C1)NCC2 Z2310677431 [1,0,0,1,0,0|2,0,0]=4 946 B11R2.36 OC1=NC2=C(C=C1)CCN2 Z5351512817 [1,0,0,1,0,0|2,0,0]=4 947 B11R2.36 OC1=NC2=C(C=C1)CNC2 Z4913752558 [1,0,0,1,0,0|2,0,0]=4 948 B11R2.36 SC1=CC2=C(C=C1)OCC2 Z361891428 [1,0,0,1,0,0|0,1,0]=3 949 B11R2.1 CC1CNC2=C1C=CC=C2 Z415739264 [1,0,0,1,0,0|2,0,0]=4 950 B11R2.1 CC1NCC2=C1C=CC=C2 Z1203731964 [1,0,0,1,0,0|1,0,0]=3 951 B11R2.1 NC1CCC2=C1C=CC=C2 Z168884748 [1,0,0,1,0,0|2,0,0]=4 952 B11R2.1 N[C@@H]1CCC2=C1C=CC=C2 Z1741972748 [1,0,0,1,0,0|2,0,0]=4 953 B11R2.1 O=C1OCC2=C1C=CC=C2 Z211309000 [1,0,0,1,0,0|1,0,1]=4 954 B11R2.1 OB1OCC2=C1C=CC=C2 Z1255356609 [1,0,0,1,0,0|2,0,0]=4 955 B11R2.4 N[C@@H]1C[C@@H]1C2=CC=CC=C2 Z2309888982 [1,0,0,1,0,0|2,0,0]=4 956 B11R2.4 N[C@@H]1C[C@H]1C2=CC=CC=C2 Z2296167800 [1,0,0,1,0,0|2,0,0]=4 957 B11R2.4 N[C@H]1C[C@@H]1C2=CC=CC=C2 Z2517097696 [1,0,0,1,0,0|2,0,0]=4 958 B11R2.20 C1=CC2=C(C=C1)CCC=C2 Z237493310 [1,0,0,1,0,0|1,0,1]=4 959 B11R2.20 C1=CC2=C(C=C1)CNCC2 Z57834231 [1,0,0,1,0,0|1,0,0]=3 960 B11R2.20 C1=CC2=C(C=C1)COCC2 Z756090080 [1,0,0,1,0,0|0,0,0]=2 961 B11R2.20 C1=CC2=C(C=C1)CONC2 Z2096086829 [1,0,0,1,0,0|1,0,0]=3 962 B11R2.20 C1=CC2=C(C=C1)OCCC2 Z728136016 [1,0,0,1,0,0|2,0,0]=4 963 B11R2.20 C1=CC2=C(C=N1)CCCC2 Z104492180 [1,0,0,1,0,0|2,0,0]=4 964 B11R2.20 C1=CC2=C(C=N1)CCNC2 Z3243651255 [1,0,0,1,0,0|2,0,0]=4 965 B11R2.20 C1=CC2=C(C=N1)CNCC2 Z3058791291 [1,0,0,1,0,0|2,0,0]=4 966 B11R2.20 C1=CC2=C(C=N1)COCC2 Z4394915129 [1,0,0,1,0,0|1,0,0]=3 967 B11R2.20 C1=CC2=C(CCCC2)N=C1 Z1201617100 [1,0,0,1,0,0|2,0,0]=4 968 B11R2.20 C1=CC2=C(CCNC2)N=C1 Z2142036515 [1,0,0,1,0,0|2,0,0]=4 969 B11R2.20 C1=CC2=C(CCSC2)N=C1 Z3492694447 [1,0,0,1,0,0|1,1,0]=4 970 B11R2.238 C1=CC=C(C=C1)CC2CO2 Z1020680006 [1,0,0,1,0,0|2,0,0]=4 971 B11R2.238 C1=CC=C(C=C1)C[C@@H]2CO2 Z1617991494 [1,0,0,1,0,0|2,0,0]=4 972 B11R2.238 C1=CC=C(C=C1)C[C@H]2CO2 Z2216712384 [1,0,0,1,0,0|2,0,0]=4 973 B11R2.238 C1=CC=C(C=C1)NC2CC2 Z1203731288 [1,0,0,1,0,0|2,0,0]=4 974 B11R2.239 C1=CC=C(C=C1)C2CCN2 Z359510120 [1,0,0,1,0,0|1,0,0]=3 975 B11R2.988 NCC1CC2=C1C=CC=C2 Z234895091 [1,0,0,1,0,0|2,0,0]=4 976 B13R2.12 BrC1=CC=C(C=C1)C2=NOCC2 Z1813177730 [0,1,0,1,0,0|1,0,1]=4 977 B13R2.12 BrC1=CC=C(C=C1)C2CCCC2 Z1269180595 [0,1,0,1,0,0|2,0,0]=4 978 B13R2.12 BrC1=CC=C(C=C1)C2CCCN2 Z281773782 [0,1,0,1,0,0|2,0,0]=4 979 B13R2.12 BrC1=CC=C(C=C1)C2CCNC2 Z3235035411 [0,1,0,1,0,0|2,0,0]=4 980 B13R2.12 BrC1=CC=C(C=C1)C2OCCO2 Z1269186914 [0,1,0,1,0,0|1,0,0]=3 981 B13R2.12 BrC1=CN=C(C=C1)C2OCCO2 Z1269176818 [0,1,0,1,0,0|2,0,0]=4 982 B13R2.12 CC1=CC=C(C=C1)C2CCCN2 Z281773826 [0,1,0,1,0,0|2,0,0]=4 983 B13R2.12 CC1=CC=C(C=C1)C2CCNC2 Z940902790 [0,1,0,1,0,0|2,0,0]=4 984 B13R2.12 ClC1=CC=C(C=C1)C2CCCN2 Z1262246112 [0,1,0,1,0,0|2,0,0]=4 985 B13R2.12 ClC1=CC=C(C=C1)C2CCNC2 Z1266933891 [0,1,0,1,0,0|2,0,0]=4 986 B13R2.12 ClC1=CC=C(C=C1)N2CCCC2 Z1198183704 [0,1,0,1,0,0|2,0,0]=4 987 B13R2.12 FC1=CC=C(C=C1)C2CCCN2 Z221586518 [0,1,0,1,0,0|2,0,0]=4 988 B13R2.12 FC1=CC=C(C=C1)C2CCNC2 Z940902798 [0,1,0,1,0,0|2,0,0]=4 989 B13R2.12 IC1=CC=C(C=C1)C2CCCN2 Z362776096 [0,1,0,1,0,0|2,0,0]=4 990 B13R2.12 NC1=CC=C(C=C1)C2CCOC2 Z1486013480 [0,1,0,1,0,0|1,0,0]=3 991 B13R2.12 NC1=CC=C(C=C1)C2SCCS2 Z119989558 [0,1,0,1,0,0|1,1,0]=4 992 B13R2.12 NC1=CC=C(C=C1)N2CCCC2 Z90122552 [0,1,0,1,0,0|2,0,0]=4 993 B13R2.12 OC1=CC=C(C=C1)C2CCCN2 Z803145548 [0,1,0,1,0,0|1,0,0]=3 994 B13R2.12 OC1=CC=C(C=C1)C2CCNC2 Z2692095167 [0,1,0,1,0,0|1,0,0]=3 995 B13R2.12 OC1=CC=C(C=C1)C2CCOC2 Z1486018525 [0,1,0,1,0,0|0,0,0]=2 996 B13R2.12 OC1=CC=C(C=C1)C2SCCS2 Z57992434 [0,1,0,1,0,0|0,1,0]=3 997 B13R2.12 OC1=CC=C(C=C1)N2CCCC2 Z1198154196 [0,1,0,1,0,0|1,0,0]=3 998 B13R2.12 OC1=NN=C(C=C1)C2CCCO2 Z2733321195 [0,1,0,1,0,0|2,0,0]=4 999 B13R2.42 NC[C@@H]1C[C@H]1C2=CC=C(C=C2)F Z2286737527 [0,1,0,1,0,0|2,0,0]=4 1000 B13R2.146 CC1CCN1C2=CC=C(C=C2)Br Z1464058881 [0,1,0,1,0,0|2,0,0]=4 1001 B13R2.146 O=C1CCN1C2=CC=C(C=C2)O Z1513916448 [0,1,0,1,0,0|2,0,0]=4 1002 B13R2.162 CC1=CC2=C(C=C1)CCC[C@@H]2N Z2130641406 [0,1,0,1,0,0|2,0,0]=4 1003 B13R2.162 CC1NCCC2=C1C=C(C=C2)Br Z4189403291 [0,1,0,1,0,0|2,0,0]=4 1004 B13R2.162 CC1NCCC2=C1C=C(C=C2)Cl Z4464935751 [0,1,0,1,0,0|2,0,0]=4 1005 B13R2.162 CC1NCCC2=C1C=C(C=C2)F Z1268152367 [0,1,0,1,0,0|2,0,0]=4 1006 B13R2.162 CN1CCNC2=C1C=C(C=C2)O Z4669450352 [0,1,0,1,0,0|2,0,0]=4 1007 B13R2.162 NC1=CC2=C(C=C1)CCCC2N Z1262631299 [0,1,0,1,0,0|2,0,0]=4 1008 B13R2.162 NC1CCCC2=C1C=C(C=C2)Br Z3234892335 [0,1,0,1,0,0|2,0,0]=4 1009 B13R2.162 NC1CCCC2=C1C=C(C=C2)F Z1008463750 [0,1,0,1,0,0|2,0,0]=4 1010 B13R2.162 N[C@@H]1CCOC2=C1C=C(C=C2)O Z3353639073 [0,1,0,1,0,0|2,0,0]=4 1011 B13R2.162 O=C1CCCC2=C1C=C(C=C2)O Z1198156579 [0,1,0,1,0,0|1,0,1]=4 1012 B13R2.162 OC1CCCC2=C1C=C(C=C2)Cl Z1008483484 [0,1,0,1,0,0|2,0,0]=4 1013 B13R2.527 BrC1=CC=C(C=C1)CNC2CC2 Z86138865 [0,1,0,1,0,0|2,0,0]=4 1014 B13R2.527 BrC1=CC=C(C=C1)NCC2CC2 Z4461698510 [0,1,0,1,0,0|2,0,0]=4 1015 B13R2.527 BrC1=CC=C(C=C1)OCC2CC2 Z431958470 [0,1,0,1,0,0|2,0,0]=4 1016 B13R2.527 CC1=CC=C(C=C1)CNC2CC2 Z86138895 [0,1,0,1,0,0|2,0,0]=4 1017 B13R2.527 ClC1=CC=C(C=C1)CNC2CC2 Z86138866 [0,1,0,1,0,0|2,0,0]=4 1018 B13R2.527 NC1=CC=C(C=C1)CNC2CC2 Z756920140 [0,1,0,1,0,0|2,0,0]=4 1019 B13R2.527 NC1=CC=C(C=C1)OCC2CC2 Z1267881654 [0,1,0,1,0,0|2,0,0]=4 1020 B13R2.527 OC1=CC=C(C=C1)CNC2CC2 Z425809384 [0,1,0,1,0,0|1,0,0]=3 1021 B13R2.527 OC1=CC=C(C=C1)OCC2CC2 Z431958964 [0,1,0,1,0,0|1,0,0]=3 1022 B13R2.1069 BrC1=CC=C(C=C1)NC2CCC2 Z3214799158 [0,1,0,1,0,0|2,0,0]=4 1023 B13R2.1069 ClC1=CC=C(C=C1)CC2CNC2 Z1333043513 [0,1,0,1,0,0|2,0,0]=4 1024 B13R2.1069 FC1=CC=C(C=C1)CC2CNC2 Z1274177347 [0,1,0,1,0,0|2,0,0]=4 1025 B13R2.1069 FC1=CC=C(C=C1)NC2CCC2 Z3247773511 [0,1,0,1,0,0|2,0,0]=4 1026 B13R2.1069 IC1=CC=C(C=C1)OC2CCC2 Z1862022366 [0,1,0,1,0,0|2,0,0]=4 1027 B13R2.1069 OC1=CC=C(C=C1)CC2CCC2 Z1513872159 [0,1,0,1,0,0|1,0,0]=3 1028 B13R2.1069 OC1=CC=C(C=C1)OC2CCC2 Z2515400422 [0,1,0,1,0,0|1,0,0]=3 1029 B13R2.2136 CNC1CCC2=C1C=C(C=C2)C Z5868947788 [0,1,0,1,0,0|2,0,0]=4 1030 B13R2.3729 BrC1=CC2=C(C=C1)CCCCN2 Z2805897454 [0,1,0,1,0,0|2,0,0]=4 1031 B13R2.3729 BrC1=CC2=C(C=C1)CCNCC2 Z3482360593 [0,1,0,1,0,0|2,0,0]=4 1032 B13R2.3729 BrC1=CC2=C(C=C1)CNCCC2 Z2737427877 [0,1,0,1,0,0|2,0,0]=4 1033 B13R2.3729 BrC1=CC2=C(C=C1)CNCCN2 Z2471612847 [0,1,0,1,0,0|2,0,0]=4 1034 B13R2.3729 BrC1=CC2=C(C=C1)CNCCO2 Z2587654837 [0,1,0,1,0,0|2,0,0]=4 1035 B13R2.3729 BrC1=CC2=C(C=C1)CSCCN2 Z5630128933 [0,1,0,1,0,0|1,1,0]=4 1036 B13R2.3729 BrC1=CC2=C(C=C1)SCCCC2 Z1416181098 [0,1,0,1,0,0|2,0,0]=4 1037 B13R2.3729 CC1=CC2=C(C=C1)CCCCN2 Z1255439654 [0,1,0,1,0,0|2,0,0]=4 1038 B13R2.3729 CC1=CC2=C(C=C1)CNCCN2 Z5405582016 [0,1,0,1,0,0|2,0,0]=4 1039 B13R2.3729 CC1=CC2=C(C=C1)CNCCO2 Z5001789364 [0,1,0,1,0,0|2,0,0]=4 1040 B13R2.3729 ClC1=CC2=C(C=C1)CCCCN2 Z1655103611 [0,1,0,1,0,0|2,0,0]=4 1041 B13R2.3729 ClC1=CC2=C(C=C1)CNCCO2 Z3292855287 [0,1,0,1,0,0|2,0,0]=4 1042 B13R2.3729 ClC1=CC2=C(C=C1)NCCCC2 Z2568751763 [0,1,0,1,0,0|2,0,0]=4 1043 B13R2.3729 NC1=CC2=C(C=C1)CCCCC2 Z2465619886 [0,1,0,1,0,0|2,0,0]=4 1044 B13R2.3729 OC1=CC2=C(C=C1)CCCCC2 Z1513804380 [0,1,0,1,0,0|1,0,0]=3 1045 B13R2.3729 OC1=CC2=C(C=C1)CCCNC2 Z3244826621 [0,1,0,1,0,0|1,0,0]=3 1046 B13R2.3729 OC1=CC2=C(C=C1)CCNCC2 Z744593112 [0,1,0,1,0,0|1,0,0]=3 1047 B13R2.3729 OC1=CC2=C(C=C1)CNCCO2 Z2034364686 [0,1,0,1,0,0|1,0,0]=3 1048 B13R2.3729 OC1=CC2=C(C=C1)NCCCC2 Z2943582595 [0,1,0,1,0,0|1,0,0]=3 1049 B13R2.3729 OC1=CC2=C(C=C1)OCCCO2 Z384971252 [0,1,0,1,0,0|2,0,0]=4 1050 B13R2.147 NC1CC(C1)C2=CC=C(C=C2)Br Z1696091784 [0,1,0,1,0,0|2,0,0]=4 1051 B13R2.147 NC1CC(C1)C2=CC=C(C=C2)F Z1266854912 [0,1,0,1,0,0|2,0,0]=4 1052 B13R2.147 N[C@H]1C[C@@H](C1)C2=CC=C(C=C2)Cl Z1947189743 [0,1,0,1,0,0|2,0,0]=4 1053 B13R2.147 OC1CC(C1)C2=CC=C(C=C2)Br Z501748690 [0,1,0,1,0,0|2,0,0]=4 1054 B13R2.520 CC1=CC=C(C=C1)C(N)C2CC2 Z212051920 [0,1,0,1,0,0|2,0,0]=4 1055 B13R2.520 NC(C1=CC=C(C=C1)Cl)C2CC2 Z336481690 [0,1,0,1,0,0|2,0,0]=4 1056 B13R2.520 NC(C1=CC=C(C=C1)F)C2CC2 Z291232556 [0,1,0,1,0,0|2,0,0]=4 1057 B13R2.520 OC(C1=CC=C(C=C1)Br)C2CC2 Z756121470 [0,1,0,1,0,0|2,0,0]=4 1058 B13R2.2986 CC1=CC=C(C=C1)C2(CCC2)N Z2442062240 [0,1,0,1,0,0|2,0,0]=4 1059 B13R2.2986 NC1(CCC1)C2=CC=C(C=C2)Br Z607822450 [0,1,0,1,0,0|2,0,0]=4 1060 B13R2.2986 NC1(CCC1)C2=CC=C(C=C2)Cl Z381654476 [0,1,0,1,0,0|2,0,0]=4 1061 B13R2.2986 NC1(CCC1)C2=CC=C(C=C2)F Z381654552 [0,1,0,1,0,0|2,0,0]=4 1062 B13R2.2986 OC1(CCC1)C2=CC=C(C=C2)F Z1302423014 [0,1,0,1,0,0|2,0,0]=4 1063 B13R2.5179 CC1NCCC2=C1C=CC(=C2)F Z1250089960 [0,1,0,1,0,0|2,0,0]=4 1064 B13R2.5179 NC1CCCC2=C1C=CC(=C2)O Z2867491070 [0,1,0,1,0,0|1,0,0]=3 1065 B13R2.5179 N[C@@H]1CCCC2=C1C=CC(=C2)F Z1357774230 [0,1,0,1,0,0|2,0,0]=4 1066 B13R2.5179 O=C1CCCC2=C1C=CC(=C2)O Z877546758 [0,1,0,1,0,0|1,0,1]=4 1067 B13R2.5179 O=C1NCCC2=C1C=CC(=C2)O Z1198175558 [0,1,0,1,0,0|1,0,1]=4 1068 B13R2.5179 O=C1OCCC2=C1C=CC(=C2)Br Z1269190773 [0,1,0,1,0,0|1,0,1]=4 1069 B13R2.5179 OB1OCCC2=C1C=CC(=C2)Cl Z4636749583 [0,1,0,1,0,0|2,0,0]=4 1070 B13R2.5179 OB1OCCC2=C1C=CC(=C2)F Z1939450320 [0,1,0,1,0,0|2,0,0]=4 1071 B13R2.5179 OC1CCCC2=C1C=CC(=C2)F Z1255366926 [0,1,0,1,0,0|2,0,0]=4 1072 B13R2.5187 CC1OB(C2=C1C=C(C=C2)Cl)O Z1504679572 [0,1,0,1,0,0|2,0,0]=4 1073 B13R2.5187 CC1OB(C2=C1C=C(C=C2)F)O Z1504678266 [0,1,0,1,0,0|2,0,0]=4 1074 B13R2.155 OC1=CC2=C(C=C1)CCC(C2)O Z1513811314 [0,1,0,1,0,0|1,0,0]=3 1075 B13R2.2988 OC1=CC=C(C=C1)C2CC2(F)F Z1513871465 [0,1,0,1,0,0|2,0,0]=4 1076 B13R2.3791 CC1(COC2=C1C=C(C=C2)O)C Z1513829476 [0,1,0,1,0,0|2,0,0]=4 1077 B13R2.43 CCN1CC2=C(C1)C=C(C=C2)Cl Z4745332343 [0,1,0,1,0,0|2,0,0]=4 1078 B13R2.148 NC1(CC1)CC2=CC=C(C=C2)Cl Z3244909154 [0,1,0,1,0,0|2,0,0]=4 1079 B13R2.148 NC1(CC1)CC2=CC=C(C=C2)F Z2235812186 [0,1,0,1,0,0|2,0,0]=4 1080 B13R2.3028 CC1C(=O)NC2=C1C=C(C=C2)O Z1198169095 [0,1,0,1,0,0|2,0,0]=4 1081 B13R2.3683 O=C1CCC2=C(N1)C=CC(=C2)O Z234893935 [0,1,0,1,0,0|2,0,0]=4 1082 B13R2.3683 O=C1CCC2=C(O1)C=CC(=C2)O Z1513805017 [0,1,0,1,0,0|2,0,0]=4 1083 B13R2.3683 OC1CCC2=C(C1)C=CC(=C2)Br Z449374978 [0,1,0,1,0,0|2,0,0]=4 1084 B13R2.328 CC1=C2CNCCC2=CC(=C1)Cl Z1949076354 [0,1,0,1,0,0|2,0,0]=4 1085 B13R2.328 CC1=C2CNCCC2=CC(=C1)F Z1224524481 [0,1,0,1,0,0|2,0,0]=4 1086 B13R2.328 CC1=CC2=C(CNCC2)C(=C1)Br Z1513696401 [0,1,0,1,0,0|2,0,0]=4 1087 B13R2.328 CC1=CC2=C(CNCC2)C(=C1)C Z1762997397 [0,1,0,1,0,0|2,0,0]=4 1088 B13R2.328 CC1=CC2=C(CNCC2)C(=C1)F Z2757404849 [0,1,0,1,0,0|2,0,0]=4 1089 B13R2.328 ClC1=C2CNCCC2=CC(=C1)Br Z1716554332 [0,1,0,1,0,0|2,0,0]=4 1090 B13R2.328 ClC1=CC2=C(CNCC2)C(=C1)Br Z1463325251 [0,1,0,1,0,0|2,0,0]=4 1091 B13R2.328 ClC1=CC2=C(CNCC2)C(=C1)Cl Z1367006625 [0,1,0,1,0,0|2,0,0]=4 1092 B13R2.328 FC1=C2CNCCC2=CC(=C1)Br Z1224524522 [0,1,0,1,0,0|2,0,0]=4 1093 B13R2.328 FC1=C2CNCCC2=CC(=C1)Cl Z1551917802 [0,1,0,1,0,0|2,0,0]=4 1094 B13R2.328 FC1=CC2=C(CNCC2)C(=C1)Br Z2686318307 [0,1,0,1,0,0|2,0,0]=4 1095 B13R2.328 FC1=CC2=C(CNCC2)C(=C1)Cl Z1948277553 [0,1,0,1,0,0|2,0,0]=4 1096 B13R2.328 OC1=CC2=C(CNCC2)C(=C1)F Z3305051050 [0,1,0,1,0,0|1,0,0]=3 1097 B13R2.16 COC1=CC=C(C=C1)C2OC2C Z278165290 [0,1,0,1,0,0|0,0,0]=2 1098 B13R2.16 COC1=CC=C(C=C1)[C@@H]2C[C@H]2N Z2298098001 [0,1,0,1,0,0|2,0,0]=4 1099 B13R2.16 COC1=CC=C(C=C1)[C@@H]2O[C@H]2C Z2527564242 [0,1,0,1,0,0|0,0,0]=2 1100 B13R2.57 CCC1=CC2=C(C=C1)CNCC2 Z3050886951 [0,1,0,1,0,0|2,0,0]=4 1101 B13R2.57 COC1=CC2=C(C=C1)NCCC2 Z169918896 [0,1,0,1,0,0|2,0,0]=4 1102 B13R2.57 N#CC1=CC2=C(C=C1)CCCC2 Z1416158086 [0,1,0,1,0,0|2,0,0]=4 1103 B13R2.57 N#CC1=CC2=C(C=C1)CNCC2 Z1198163344 [0,1,0,1,0,0|2,0,0]=4 1104 B13R2.57 NCC1=CC2=C(C=C1)CNCC2 Z5191575186 [0,1,0,1,0,0|2,0,0]=4 1105 B13R2.57 O=CC1=CC2=C(C=C1)CCCC2 Z385369922 [0,1,0,1,0,0|1,0,1]=4 1106 B13R2.57 O=CC1=CC2=C(C=C1)COCC2 Z1255461038 [0,1,0,1,0,0|0,0,1]=3 1107 B13R2.57 OCC1=CC2=C(C=C1)CCCN2 Z1262581191 [0,1,0,1,0,0|2,0,0]=4 1108 B13R2.57 OCC1=CC2=C(C=C1)CNCC2 Z4371532004 [0,1,0,1,0,0|1,0,0]=3 1109 B13R2.184 NCC1=CC=C(C=C1)CC2CC2 Z3409173944 [0,1,0,1,0,0|2,0,0]=4 1110 B13R2.184 O=CC1=CC=C(C=C1)CC2CC2 Z1216844691 [0,1,0,1,0,0|1,0,1]=4 1111 B13R2.185 O=CC1=CC=C(C=C1)C2CCC2 Z1251414971 [0,1,0,1,0,0|1,0,1]=4 1112 B13R2.669 COC1=CC2=C(C=C1)CCC2N Z3234887230 [0,1,0,1,0,0|2,0,0]=4 1113 B13R2.669 COC1=CC2=C(C=C1)COB2O Z1255500698 [0,1,0,1,0,0|2,0,0]=4 1114 B13R2.32 CC1=C(C2=C(C=C1)CCCC2)N Z5101715035 [0,1,0,1,0,0|2,0,0]=4 1115 B13R2.32 CC1=C(C2=C(C=C1)CNCC2)Br Z5377347910 [0,1,0,1,0,0|2,0,0]=4 1116 B13R2.32 ClC1=C(C2=C(C=C1)CNCC2)Cl Z1262327499 [0,1,0,1,0,0|2,0,0]=4 1117 B13R2.32 FC1=C(C2=C(C=C1)CNCC2)Br Z4562297829 [0,1,0,1,0,0|2,0,0]=4 1118 B13R2.32 FC1=C(C2=C(C=C1)CNCC2)F Z1147191555 [0,1,0,1,0,0|2,0,0]=4 1119 B13R2.32 FC1=C2CCNCC2=CC=C1Br Z3379369939 [0,1,0,1,0,0|2,0,0]=4 1120 B13R2.32 OC1=C(C2=C(C=C1)CCCC2)F Z1862026471 [0,1,0,1,0,0|1,0,0]=3 1121 B13R2.32 OC1=C(C2=C(C=C1)CCNC2)Br Z5017225025 [0,1,0,1,0,0|2,0,0]=4 1122 B13R2.369 BrC1=C(C=C2CNCCC2=C1)Br Z2527409714 [0,1,0,1,0,0|2,0,0]=4 1123 B13R2.369 CC1=C(C=C2CCNCC2=C1)O Z3067540657 [0,1,0,1,0,0|1,0,0]=3 1124 B13R2.369 CC1=C(C=C2CNCCC2=C1)Br Z1269184195 [0,1,0,1,0,0|2,0,0]=4 1125 B13R2.369 ClC1=C(C=C2CCNCC2=C1)Br Z2733482438 [0,1,0,1,0,0|2,0,0]=4 1126 B13R2.369 FC1=C(C=C2CNCCC2=C1)Br Z2900189167 [0,1,0,1,0,0|2,0,0]=4 1127 B13R2.369 O=C1C=C2CNCCN2C=C1O Z4447090412 [0,1,0,1,0,0|2,0,0]=4 1128 B13R2.369 OC1=C(C=C2CCNCC2=C1)Cl Z4612804040 [0,1,0,1,0,0|2,0,0]=4 1129 B13R2.369 OC1=C(C=C2CCNCC2=C1)F Z3345280569 [0,1,0,1,0,0|2,0,0]=4 1130 B13R2.369 OC1=C(C=C2CNCCC2=C1)O Z2574937259 [0,1,0,1,0,0|1,0,0]=3 1131 B9R1.12 CCNCC1=CC=CO1 Z90513169 [1,0,0,0,1,0|2,0,0]=4 1132 B9R1.12 CCNCC1=COC=C1 Z385447452 [1,0,0,0,1,0|2,0,0]=4 1133 B9R1.12 CCOCC1=NC=CN1 Z1203819044 [1,0,0,0,1,0|2,0,0]=4 1134 B8R1.2 CCC1=CC=CC=C1 Z104473632 [3,0,0,0,0,0|0,0,0]=3 1135 B8R1.2 CCC1=CC=NC=C1 Z1251171246 [3,0,0,0,0,0|1,0,0]=4 1136 B8R1.2 CCC1=CN=CC=C1 Z104476778 [3,0,0,0,0,0|1,0,0]=4 1137 B8R1.2 CCC1=NC=CC=C1 Z113558650 [3,0,0,0,0,0|1,0,0]=4 1138 B8R1.2 CNC1=CC=CC=C1 Z104472478 [3,0,0,0,0,0|1,0,0]=4 1139 B8R1.2 COC1=CC=CC=C1 Z53833865 [3,0,0,0,0,0|0,0,0]=3 1140 B8R1.2 NCC1=CC=CC=C1 Z54748260 [3,0,0,0,0,0|1,0,0]=4 1141 B8R1.2 OCC1=CC=CC=C1 Z104476418 [3,0,0,0,0,0|0,0,0]=3 1142 B8R1.2 OCC1=CC=NC=C1 Z335244866 [3,0,0,0,0,0|1,0,0]=4 1143 B8R1.2 OCC1=CN=CC=C1 Z104495622 [3,0,0,0,0,0|1,0,0]=4 1144 B8R1.2 OCC1=NC=CC=C1 Z57921252 [3,0,0,0,0,0|1,0,0]=4 1145 B8R1.3 CC1=CC=C(C=C1)C Z199056432 [3,0,0,0,0,0|1,0,0]=4 1146 B8R1.3 CC1=CC=C(C=C1)Cl Z56924546 [3,0,0,0,0,0|1,0,0]=4 1147 B8R1.3 CC1=CC=C(C=C1)F Z104473648 [3,0,0,0,0,0|1,0,0]=4 1148 B8R1.3 CC1=CC=C(C=C1)N Z57127875 [3,0,0,0,0,0|1,0,0]=4 1149 B8R1.3 CC1=CC=C(C=C1)O Z104473818 [3,0,0,0,0,0|0,0,0]=3 1150 B8R1.3 CC1=CN=C(C=C1)O Z1255523405 [3,0,0,0,0,0|1,0,0]=4 1151 B8R1.3 CC1=NC=C(C=C1)O Z838078132 [3,0,0,0,0,0|1,0,0]=4 1152 B8R1.3 NC1=CC=C(C=C1)O Z57127517 [3,0,0,0,0,0|1,0,0]=4 1153 B8R1.3 OC1=CC=C(C=C1)Br Z57127362 [3,0,0,0,0,0|1,0,0]=4 1154 B8R1.3 OC1=CC=C(C=C1)Cl Z104473434 [3,0,0,0,0,0|1,0,0]=4 1155 B8R1.3 OC1=CC=C(C=C1)I Z104496300 [3,0,0,0,0,0|1,0,0]=4 1156 B8R1.3 OC1=CC=C(C=C1)O Z57127551 [3,0,0,0,0,0|0,0,0]=3 1157 B8R1.3 OC1=CN=C(C=C1)O Z1198152559 [3,0,0,0,0,0|1,0,0]=4 1158 B10R1.3 C#CC1=CC=C(C=C1)CC Z1080385542 [2,1,0,0,0,0|1,0,0]=4 1159 B10R1.3 C#CC1=CC=C(C=C1)CO Z1255489573 [2,1,0,0,0,0|1,0,0]=4 1160 B10R1.3 CCC1=CC=C(C=C1)C#N Z57900361 [2,1,0,0,0,0|1,0,0]=4 1161 B10R1.3 CCC1=CC=C(C=C1)C=O Z104477712 [2,1,0,0,0,0|0,0,1]=4 1162 B10R1.3 CCC1=CC=C(C=C1)CN Z239626560 [2,1,0,0,0,0|1,0,0]=4 1163 B10R1.3 CNC1=CC=C(C=C1)OC Z335282780 [2,1,0,0,0,0|1,0,0]=4 1164 B10R1.3 COC1=CC=C(C=C1)C#N Z53834531 [2,1,0,0,0,0|1,0,0]=4 1165 B10R1.3 COC1=CC=C(C=C1)C=O Z53833125 [2,1,0,0,0,0|0,0,1]=4 1166 B10R1.3 COC1=CC=C(C=C1)CO Z54603098 [2,1,0,0,0,0|0,0,0]=3 1167 B10R1.3 COC1=CC=C(C=C1)CS Z1255360358 [2,1,0,0,0,0|0,1,0]=4 1168 B10R1.3 COC1=CC=C(C=C1)OC Z53833835 [2,1,0,0,0,0|0,0,0]=3 1169 B10R1.3 COC1=NC=C(C=C1)CO Z800297984 [2,1,0,0,0,0|1,0,0]=4 1170 B10R1.3 N#CC1=CC=C(C=C1)CO Z335244916 [2,1,0,0,0,0|1,0,0]=4 1171 B10R1.3 NCC1=CC=C(C=C1)CO Z385458374 [2,1,0,0,0,0|1,0,0]=4 1172 B10R1.3 O=CC1=CC=C(C=C1)CO Z1255384176 [2,1,0,0,0,0|0,0,1]=4 1173 B10R1.13 CC(=O)C1=CC=C(C=C1)O Z57040434 [2,1,0,0,0,0|0,0,1]=4 1174 B10R1.13 CC(C)C1=CC=C(C=C1)Br Z732229746 [2,1,0,0,0,0|1,0,0]=4 1175 B10R1.13 CC(C)C1=CC=C(C=C1)Cl Z1255372793 [2,1,0,0,0,0|1,0,0]=4 1176 B10R1.13 CC(C)C1=CC=C(C=C1)N Z104476320 [2,1,0,0,0,0|1,0,0]=4 1177 B10R1.13 CC(C)C1=CC=C(C=C1)O Z56347200 [2,1,0,0,0,0|0,0,0]=3 1178 B10R1.13 CC(N)C1=CC=C(C=C1)Br Z56347162 [2,1,0,0,0,0|1,0,0]=4 1179 B10R1.13 CC(N)C1=CC=C(C=C1)Cl Z56347112 [2,1,0,0,0,0|1,0,0]=4 1180 B10R1.13 CC(N)C1=CC=C(C=C1)O Z1741968989 [2,1,0,0,0,0|0,0,0]=3 1181 B10R1.13 CC(N)C1=CN=C(C=C1)O Z4423361180 [2,1,0,0,0,0|1,0,0]=4 1182 B10R1.13 CC(O)C1=CC=C(C=C1)Br Z335244904 [2,1,0,0,0,0|1,0,0]=4 1183 B10R1.13 CC(O)C1=CC=C(C=C1)Cl Z104479788 [2,1,0,0,0,0|1,0,0]=4 1184 B10R1.13 CC(O)C1=CC=C(C=C1)F Z56347219 [2,1,0,0,0,0|1,0,0]=4 1185 B10R1.13 CC(O)C1=CC=C(C=C1)I Z228586282 [2,1,0,0,0,0|1,0,0]=4 1186 B10R1.13 CC1=CC=C(C=C1)C(C)C Z104497772 [2,1,0,0,0,0|1,0,0]=4 1187 B10R1.13 CC1=CC=C(C=C1)[C@@H](C)O Z1127664396 [2,1,0,0,0,0|1,0,0]=4 1188 B10R1.13 CC1=CC=C(C=C1)[C@H](C)O Z1127664278 [2,1,0,0,0,0|1,0,0]=4 1189 B10R1.13 CN(C)C1=CC=C(C=C1)O Z137981254 [2,1,0,0,0,0|1,0,0]=4 1190 B10R1.13 C[C@@H](O)C1=CC=C(C=C1)Br Z850973968 [2,1,0,0,0,0|1,0,0]=4 1191 B10R1.13 C[C@@H](O)C1=CC=C(C=C1)I Z360055808 [2,1,0,0,0,0|1,0,0]=4 1192 B10R1.13 C[C@H](N)C1=CC=C(C=C1)Br Z1869802525 [2,1,0,0,0,0|1,0,0]=4 1193 B10R1.13 C[C@H](N)C1=CC=C(C=C1)I Z1696091699 [2,1,0,0,0,0|1,0,0]=4 1194 B10R1.13 C[C@H](N)C1=CC=C(C=C1)O Z3183546879 [2,1,0,0,0,0|0,0,0]=3 1195 B10R1.13 C[C@H](O)C1=CC=C(C=C1)Br Z850973970 [2,1,0,0,0,0|1,0,0]=4 1196 B10R1.13 C[C@H](O)C1=CC=C(C=C1)I Z360055806 [2,1,0,0,0,0|1,0,0]=4 1197 B10R1.13 O=C(O)C1=CC=C(C=C1)O Z104498098 [2,1,0,0,0,0|0,0,1]=4 1198 B10R1.13 OB(O)C1=CC=C(C=C1)O Z336080006 [2,1,0,0,0,0|1,0,0]=4 1199 B10R1.25 CC1=C(C=CC(=C1)Br)CO Z444299166 [2,1,0,0,0,0|1,0,0]=4 1200 B10R1.25 CC1=C(C=CC(=C1)F)CO Z959356974 [2,1,0,0,0,0|1,0,0]=4 1201 B10R1.25 CC1=CC(=C(C=C1)CO)C Z335244716 [2,1,0,0,0,0|1,0,0]=4 1202 B10R1.25 CC1=CC(=C(C=C1)CO)Cl Z1255382519 [2,1,0,0,0,0|1,0,0]=4 1203 B10R1.25 CC1=CC(=C(C=C1)CO)N Z1198176996 [2,1,0,0,0,0|1,0,0]=4 1204 B10R1.25 CCC1=C(C=C(C=C1)Br)Cl Z1551924119 [2,1,0,0,0,0|1,0,0]=4 1205 B10R1.25 CCC1=C(C=C(C=C1)C)O Z1198181015 [2,1,0,0,0,0|1,0,0]=4 1206 B10R1.25 CCC1=C(C=C(C=C1)Cl)Cl Z1862006036 [2,1,0,0,0,0|1,0,0]=4 1207 B10R1.25 CCC1=C(C=C(C=C1)F)N Z4670692131 [2,1,0,0,0,0|1,0,0]=4 1208 B10R1.25 CCC1=C(C=C(C=C1)N)F Z1203583183 [2,1,0,0,0,0|1,0,0]=4 1209 B10R1.25 CCC1=C(C=C(C=C1)N)I Z4120967362 [2,1,0,0,0,0|1,0,0]=4 1210 B10R1.25 CCC1=C(C=C(C=C1)O)O Z104499414 [2,1,0,0,0,0|0,0,0]=3 1211 B10R1.25 CNC1=C(C=C(C=C1)O)C Z2740415969 [2,1,0,0,0,0|1,0,0]=4 1212 B10R1.25 COC1=C(C=C(C=C1)Br)F Z54183592 [2,1,0,0,0,0|1,0,0]=4 1213 B10R1.25 COC1=C(C=C(C=C1)Br)N Z330803600 [2,1,0,0,0,0|1,0,0]=4 1214 B10R1.25 COC1=C(C=C(C=C1)Br)S Z367661854 [2,1,0,0,0,0|1,0,0]=4 1215 B10R1.25 COC1=C(C=C(C=C1)C)N Z104477476 [2,1,0,0,0,0|1,0,0]=4 1216 B10R1.25 COC1=C(C=C(C=C1)Cl)I Z1269181635 [2,1,0,0,0,0|1,0,0]=4 1217 B10R1.25 COC1=C(C=C(C=C1)Cl)N Z56782009 [2,1,0,0,0,0|1,0,0]=4 1218 B10R1.25 COC1=C(C=C(C=C1)F)N Z332375930 [2,1,0,0,0,0|1,0,0]=4 1219 B10R1.25 COC1=C(C=C(C=C1)I)Br Z362776936 [2,1,0,0,0,0|1,0,0]=4 1220 B10R1.25 COC1=C(C=C(C=C1)I)F Z57073900 [2,1,0,0,0,0|1,0,0]=4 1221 B10R1.25 COC1=C(C=C(C=C1)N)Br Z57450975 [2,1,0,0,0,0|1,0,0]=4 1222 B10R1.25 COC1=C(C=C(C=C1)N)C Z385462626 [2,1,0,0,0,0|1,0,0]=4 1223 B10R1.25 COC1=C(C=C(C=C1)N)F Z362635046 [2,1,0,0,0,0|1,0,0]=4 1224 B10R1.25 COC1=C(C=C(C=C1)N)O Z104494830 [2,1,0,0,0,0|1,0,0]=4 1225 B10R1.25 COC1=C(C=C(C=C1)O)F Z415739536 [2,1,0,0,0,0|0,0,0]=3 1226 B10R1.25 COC1=C(C=C(C=C1)O)I Z1269222013 [2,1,0,0,0,0|0,0,0]=3 1227 B10R1.25 CSC1=C(C=C(C=C1)O)Br Z1269227695 [2,1,0,0,0,0|0,1,0]=4 1228 B10R1.25 CSC1=C(C=C(C=C1)O)C Z277164168 [2,1,0,0,0,0|0,1,0]=4 1229 B10R1.25 NC1=C(C=CC(=C1)Br)CO Z1269175206 [2,1,0,0,0,0|1,0,0]=4 1230 B10R1.25 NC1=C(C=CC(=C1)Cl)CO Z955147660 [2,1,0,0,0,0|1,0,0]=4 1231 B10R1.25 NC1=C(C=CC(=C1)F)CO Z1198159868 [2,1,0,0,0,0|1,0,0]=4 1232 B10R1.25 NCC1=C(C=C(C=C1)O)F Z3244923137 [2,1,0,0,0,0|1,0,0]=4 1233 B10R1.25 NCC1=C(C=C(C=C1)O)O Z2350903951 [2,1,0,0,0,0|1,0,0]=4 1234 B10R1.25 OCC1=C(C=C(C=C1)Br)Br Z1269234186 [2,1,0,0,0,0|1,0,0]=4 1235 B10R1.25 OCC1=C(C=C(C=C1)Br)Cl Z448248274 [2,1,0,0,0,0|1,0,0]=4 1236 B10R1.25 OCC1=C(C=C(C=C1)Br)I Z1269215229 [2,1,0,0,0,0|1,0,0]=4 1237 B10R1.25 OCC1=C(C=C(C=C1)Cl)Br Z1269183118 [2,1,0,0,0,0|1,0,0]=4 1238 B10R1.25 OCC1=C(C=C(C=C1)Cl)Cl Z111479786 [2,1,0,0,0,0|1,0,0]=4 1239 B10R1.25 OCC1=C(C=C(C=C1)Cl)I Z1269244634 [2,1,0,0,0,0|1,0,0]=4 1240 B10R1.25 OCC1=C(C=C(C=C1)F)Br Z397587428 [2,1,0,0,0,0|1,0,0]=4 1241 B10R1.25 OCC1=C(C=C(C=C1)F)I Z1269118341 [2,1,0,0,0,0|1,0,0]=4 1242 B10R1.25 OCC1=C(C=C(C=C1)I)Cl Z1269140641 [2,1,0,0,0,0|1,0,0]=4 1243 B10R1.176 CC1=C(C=C(C=C1)CO)Br Z1269190523 [2,1,0,0,0,0|1,0,0]=4 1244 B10R1.176 CC1=C(C=C(C=C1)CO)I Z1269159118 [2,1,0,0,0,0|1,0,0]=4 1245 B10R1.176 CC1=C(C=C(C=C1)CO)N Z1203578220 [2,1,0,0,0,0|1,0,0]=4 1246 B10R1.176 CC1=C(C=CC(=C1)CO)Br Z1269142250 [2,1,0,0,0,0|1,0,0]=4 1247 B10R1.176 CC1=C(C=CC(=C1)CO)Cl Z1201623310 [2,1,0,0,0,0|1,0,0]=4 1248 B10R1.176 CCC1=CC(=C(C=C1)Br)Cl Z1551924078 [2,1,0,0,0,0|1,0,0]=4 1249 B10R1.176 CCC1=CC(=C(C=C1)Br)N Z2753220544 [2,1,0,0,0,0|1,0,0]=4 1250 B10R1.176 CCC1=CC(=C(C=C1)N)F Z1255421063 [2,1,0,0,0,0|1,0,0]=4 1251 B10R1.176 CCC1=CC(=C(C=C1)N)N Z1198311235 [2,1,0,0,0,0|1,0,0]=4 1252 B10R1.176 CCC1=CC(=C(C=C1)O)C Z1255463943 [2,1,0,0,0,0|0,0,0]=3 1253 B10R1.176 CCC1=CC(=C(C=C1)O)N Z1318147478 [2,1,0,0,0,0|0,0,0]=3 1254 B10R1.176 COC1=CC(=C(C=C1)Br)N Z406520438 [2,1,0,0,0,0|1,0,0]=4 1255 B10R1.176 COC1=CC(=C(C=C1)C)N Z1203578033 [2,1,0,0,0,0|1,0,0]=4 1256 B10R1.176 COC1=CC(=C(C=C1)C)O Z1255384359 [2,1,0,0,0,0|1,0,0]=4 1257 B10R1.176 COC1=CC(=C(C=C1)Cl)C Z54850187 [2,1,0,0,0,0|1,0,0]=4 1258 B10R1.176 COC1=CC(=C(C=C1)Cl)N Z1259341039 [2,1,0,0,0,0|1,0,0]=4 1259 B10R1.176 COC1=CC(=C(C=C1)F)Br Z1269188737 [2,1,0,0,0,0|1,0,0]=4 1260 B10R1.176 COC1=CC(=C(C=C1)F)N Z1198319952 [2,1,0,0,0,0|1,0,0]=4 1261 B10R1.176 COC1=CC(=C(C=C1)I)C Z1269244593 [2,1,0,0,0,0|1,0,0]=4 1262 B10R1.176 COC1=CC(=C(C=C1)N)Br Z425366392 [2,1,0,0,0,0|1,0,0]=4 1263 B10R1.176 COC1=CC(=C(C=C1)N)C Z239604794 [2,1,0,0,0,0|1,0,0]=4 1264 B10R1.176 COC1=CC(=C(C=C1)N)Cl Z425366376 [2,1,0,0,0,0|1,0,0]=4 1265 B10R1.176 COC1=CC(=C(C=C1)N)F Z425366382 [2,1,0,0,0,0|1,0,0]=4 1266 B10R1.176 COC1=CC(=C(C=C1)N)I Z1868316833 [2,1,0,0,0,0|1,0,0]=4 1267 B10R1.176 COC1=CC(=C(C=C1)O)C Z1198310476 [2,1,0,0,0,0|0,0,0]=3 1268 B10R1.176 COC1=CC(=C(C=C1)O)N Z57727878 [2,1,0,0,0,0|0,0,0]=3 1269 B10R1.176 COC1=NC(=C(C=C1)O)C Z1255447798 [2,1,0,0,0,0|1,0,0]=4 1270 B10R1.176 NC1=C(C=CC(=C1)CO)Br Z1269218344 [2,1,0,0,0,0|1,0,0]=4 1271 B10R1.176 NC1=C(C=CC(=C1)CO)Cl Z394691290 [2,1,0,0,0,0|1,0,0]=4 1272 B10R1.176 NC1=C(C=CC(=C1)CO)F Z4518011880 [2,1,0,0,0,0|1,0,0]=4 1273 B10R1.176 NCC1=CC(=C(C=C1)O)Br Z1436472846 [2,1,0,0,0,0|1,0,0]=4 1274 B10R1.176 NCC1=CC(=C(C=C1)O)Cl Z2757555437 [2,1,0,0,0,0|1,0,0]=4 1275 B10R1.176 NCC1=CC(=C(C=C1)O)F Z1250080941 [2,1,0,0,0,0|1,0,0]=4 1276 B10R1.176 NCC1=CC(=C(C=C1)O)O Z1272096628 [2,1,0,0,0,0|1,0,0]=4 1277 B10R1.176 O=C1C=C(OC=C1O)CO Z104484860 [2,1,0,0,0,0|1,0,0]=4 1278 B10R1.176 OCC1=CC(=C(C=C1)Br)Cl Z1269181450 [2,1,0,0,0,0|1,0,0]=4 1279 B10R1.176 OCC1=CC(=C(C=C1)Cl)Br Z1269238306 [2,1,0,0,0,0|1,0,0]=4 1280 B10R1.176 OCC1=CC(=C(C=C1)I)Cl Z1269236145 [2,1,0,0,0,0|1,0,0]=4 1281 B10R1.176 OCC1=CC(=C(C=C1)I)O Z1269159331 [2,1,0,0,0,0|1,0,0]=4 1282 B10R1.176 OCC1=CC(=C(C=C1)O)Cl Z839172284 [2,1,0,0,0,0|0,0,0]=3 1283 B10R1.176 OCC1=CC(=C(C=C1)O)F Z385458838 [2,1,0,0,0,0|0,0,0]=3 1284 B10R1.176 OCC1=NC=C(C(=C1)O)O Z3003010756 [2,1,0,0,0,0|1,0,0]=4 1285 B10R1.4 CCCC1=C(C=CC=C1)Br Z1479686725 [2,1,0,0,0,0|0,0,0]=3 1286 B10R1.4 CCCC1=C(C=CC=C1)I Z821158622 [2,1,0,0,0,0|0,0,0]=3 1287 B10R1.4 CCCC1=C(C=CC=C1)N Z336087926 [2,1,0,0,0,0|0,0,0]=3 1288 B10R1.4 CCNC1=C(C=CC=C1)C Z104477886 [2,1,0,0,0,0|1,0,0]=4 1289 B10R1.4 CCNC1=C(C=CC=C1)F Z286518592 [2,1,0,0,0,0|1,0,0]=4 1290 B10R1.4 CCNC1=C(C=CC=C1)I Z4405452872 [2,1,0,0,0,0|1,0,0]=4 1291 B10R1.4 CCNC1=C(C=CC=C1)N Z359511482 [2,1,0,0,0,0|1,0,0]=4 1292 B10R1.4 CCNC1=C(C=CC=C1)O Z5185414820 [2,1,0,0,0,0|1,0,0]=4 1293 B10R1.4 CCOC1=C(C=CC=C1)Br Z153728256 [2,1,0,0,0,0|0,0,0]=3 1294 B10R1.4 CCOC1=C(C=CC=C1)I Z406416174 [2,1,0,0,0,0|0,0,0]=3 1295 B10R1.4 CCOC1=C(C=CC=C1)N Z104478442 [2,1,0,0,0,0|0,0,0]=3 1296 B10R1.4 CCOC1=C(C=CC=C1)O Z104480244 [2,1,0,0,0,0|0,0,0]=3 1297 B10R1.4 CCOC1=C(C=CC=N1)N Z240084312 [2,1,0,0,0,0|1,0,0]=4 1298 B10R1.4 CCOC1=C(N=CC=C1)N Z362783900 [2,1,0,0,0,0|1,0,0]=4 1299 B10R1.4 CCSC1=C(C=CC=C1)Br Z149386616 [2,1,0,0,0,0|0,1,0]=4 1300 B10R1.4 CCSC1=C(C=CC=C1)N Z316174690 [2,1,0,0,0,0|0,1,0]=4 1301 B10R1.4 CCSC1=C(C=CC=C1)O Z905204460 [2,1,0,0,0,0|0,1,0]=4 1302 B10R1.4 CNCC1=C(C=CC=C1)C Z56948272 [2,1,0,0,0,0|1,0,0]=4 1303 B10R1.4 CNCC1=C(C=CC=C1)Cl Z56955956 [2,1,0,0,0,0|1,0,0]=4 1304 B10R1.4 CNCC1=C(C=CC=C1)F Z56953087 [2,1,0,0,0,0|1,0,0]=4 1305 B10R1.4 CNCC1=C(C=CC=C1)N Z764242576 [2,1,0,0,0,0|1,0,0]=4 1306 B10R1.4 CNCC1=C(C=CC=C1)O Z398513608 [2,1,0,0,0,0|1,0,0]=4 1307 B10R1.4 COCC1=C(C=CC=C1)I Z821093342 [2,1,0,0,0,0|0,0,0]=3 1308 B10R1.4 COCC1=C(C=CC=C1)O Z821093528 [2,1,0,0,0,0|0,0,0]=3 1309 B10R1.4 COCC1=C(N=CC=C1)N Z991490684 [2,1,0,0,0,0|1,0,0]=4 1310 B10R1.4 CSCC1=C(C=CC=C1)N Z732207148 [2,1,0,0,0,0|0,1,0]=4 1311 B10R1.4 NC1=C(C=CC=C1)CCO Z3417485770 [2,1,0,0,0,0|1,0,0]=4 1312 B10R1.4 NCCC1=C(C=CC=C1)Br Z295382782 [2,1,0,0,0,0|1,0,0]=4 1313 B10R1.4 NCCC1=C(C=CC=C1)Cl Z285143744 [2,1,0,0,0,0|1,0,0]=4 1314 B10R1.4 NCCC1=C(C=CC=C1)F Z57051087 [2,1,0,0,0,0|1,0,0]=4 1315 B10R1.4 NCCC1=C(C=CC=C1)O Z594038184 [2,1,0,0,0,0|1,0,0]=4 1316 B10R1.4 OCCC1=C(C=CC=C1)Br Z1183459188 [2,1,0,0,0,0|1,0,0]=4 1317 B10R1.4 OCCC1=C(C=CC=C1)F Z397587382 [2,1,0,0,0,0|1,0,0]=4 1318 B10R1.10 CC1=CC(=CC=C1)CCN Z241056516 [2,1,0,0,0,0|1,0,0]=4 1319 B10R1.10 CCCC1=CC(=CC=C1)Br Z1541586975 [2,1,0,0,0,0|0,0,0]=3 1320 B10R1.10 CCNC1=CC(=CC=C1)Br Z1217910559 [2,1,0,0,0,0|1,0,0]=4 1321 B10R1.10 CCNC1=CC(=CC=C1)C Z56785946 [2,1,0,0,0,0|1,0,0]=4 1322 B10R1.10 CCNC1=CC(=CC=C1)Cl Z286371690 [2,1,0,0,0,0|1,0,0]=4 1323 B10R1.10 CCOC1=CC(=CC=C1)Br Z53833934 [2,1,0,0,0,0|0,0,0]=3 1324 B10R1.10 CCOC1=CC(=CC=C1)I Z54181578 [2,1,0,0,0,0|0,0,0]=3 1325 B10R1.10 CCOC1=CC(=NC=C1)N Z1198157310 [2,1,0,0,0,0|1,0,0]=4 1326 B10R1.10 CCOC1=NC(=CC=C1)C Z1198168604 [2,1,0,0,0,0|1,0,0]=4 1327 B10R1.10 CCOC1=NC(=CC=C1)N Z1139188017 [2,1,0,0,0,0|1,0,0]=4 1328 B10R1.10 CCSC1=CC(=CC=C1)Br Z1090207966 [2,1,0,0,0,0|0,1,0]=4 1329 B10R1.10 CCSC1=CC(=CC=C1)N Z600393424 [2,1,0,0,0,0|0,1,0]=4 1330 B10R1.10 CNCC1=CC(=CC=C1)C Z102766992 [2,1,0,0,0,0|1,0,0]=4 1331 B10R1.10 CNCC1=CC(=CC=C1)Cl Z56963343 [2,1,0,0,0,0|1,0,0]=4 1332 B10R1.10 CNCC1=CC(=CC=C1)F Z56946085 [2,1,0,0,0,0|1,0,0]=4 1333 B10R1.10 CNCC1=CC(=CC=C1)I Z3302798080 [2,1,0,0,0,0|1,0,0]=4 1334 B10R1.10 CNCC1=CC(=CC=C1)O Z102766970 [2,1,0,0,0,0|1,0,0]=4 1335 B10R1.10 COCC1=CC(=CC=C1)N Z285163816 [2,1,0,0,0,0|0,0,0]=3 1336 B10R1.10 COCC1=CC(=CC=C1)O Z821093526 [2,1,0,0,0,0|0,0,0]=3 1337 B10R1.10 COCC1=CC(=NC=C1)N Z991490692 [2,1,0,0,0,0|1,0,0]=4 1338 B10R1.10 CSCC1=CC(=CC=C1)Br Z17129082 [2,1,0,0,0,0|0,1,0]=4 1339 B10R1.10 CSCC1=CC(=CC=C1)N Z732207152 [2,1,0,0,0,0|0,1,0]=4 1340 B10R1.10 NC1=CC(=CC=C1)CCO Z1198160776 [2,1,0,0,0,0|1,0,0]=4 1341 B10R1.10 NCCC1=CC(=CC=C1)Br Z285143760 [2,1,0,0,0,0|1,0,0]=4 1342 B10R1.10 NCCC1=CC(=CC=C1)Cl Z57051063 [2,1,0,0,0,0|1,0,0]=4 1343 B10R1.10 NCCC1=CC(=CC=C1)F Z96092963 [2,1,0,0,0,0|1,0,0]=4 1344 B10R1.10 NCCC1=CC(=CC=C1)I Z4874662549 [2,1,0,0,0,0|1,0,0]=4 1345 B10R1.10 NCCC1=CC(=CC=C1)O Z935140764 [2,1,0,0,0,0|1,0,0]=4 1346 B10R1.10 NOCC1=CC(=CC=C1)Cl Z1198339567 [2,1,0,0,0,0|1,0,0]=4 1347 B10R1.10 OCCC1=CC(=CC=C1)Cl Z992289382 [2,1,0,0,0,0|1,0,0]=4 1348 B10R1.10 OCCC1=CC(=CC=C1)F Z397587224 [2,1,0,0,0,0|1,0,0]=4 1349 B10R1.15 CC(CBr)C1=CC=CC=C1 Z756118300 [2,1,0,0,0,0|1,0,0]=4 1350 B10R1.15 CCC(=O)C1=CC=CC=C1 Z104473068 [2,1,0,0,0,0|0,0,1]=4 1351 B10R1.15 CCC(N)C1=CC=CC=C1 Z1262252904 [2,1,0,0,0,0|0,0,0]=3 1352 B10R1.15 CCC(N)C1=CC=NC=C1 Z228583312 [2,1,0,0,0,0|1,0,0]=4 1353 B10R1.15 CCC(O)C1=CC=CC=C1 Z335245178 [2,1,0,0,0,0|0,0,0]=3 1354 B10R1.15 CCC(O)C1=CC=NC=C1 Z513749638 [2,1,0,0,0,0|1,0,0]=4 1355 B10R1.15 CNC(C)C1=CC=CC=C1 Z85917524 [2,1,0,0,0,0|1,0,0]=4 1356 B10R1.15 COC(=O)C1=CC=CC=C1 Z19825577 [2,1,0,0,0,0|0,0,1]=4 1357 B10R1.15 C[C@H](CN)C1=CC=CC=C1 Z1203578128 [2,1,0,0,0,0|1,0,0]=4 1358 B10R1.15 NC(CO)C1=CC=CC=C1 Z381674942 [2,1,0,0,0,0|1,0,0]=4 1359 B10R1.15 NCC(N)C1=CC=CC=C1 Z425861034 [2,1,0,0,0,0|1,0,0]=4 1360 B10R1.15 NCC(O)C1=CC=CC=C1 Z104476088 [2,1,0,0,0,0|1,0,0]=4 1361 B10R1.15 N[C@@H](CO)C1=CC=CC=C1 Z1201618614 [2,1,0,0,0,0|1,0,0]=4 1362 B10R1.15 N[C@H](CO)C1=CC=CC=C1 Z1101444224 [2,1,0,0,0,0|1,0,0]=4 1363 B10R1.18 CC(C)CC1=CC=CC=C1 Z104486386 [2,1,0,0,0,0|0,0,0]=3 1364 B10R1.18 CC(C)CC1=NC=CC=C1 Z1201621742 [2,1,0,0,0,0|1,0,0]=4 1365 B10R1.18 CC(C)NC1=CC=CC=C1 Z104475020 [2,1,0,0,0,0|1,0,0]=4 1366 B10R1.18 CC(C)OC1=CC=CC=C1 Z53833867 [2,1,0,0,0,0|0,0,0]=3 1367 B10R1.18 CC(C)OC1=CC=NC=C1 Z1140308716 [2,1,0,0,0,0|1,0,0]=4 1368 B10R1.18 CC(N)CC1=CC=NC=C1 Z285143992 [2,1,0,0,0,0|1,0,0]=4 1369 B10R1.18 CC(O)CC1=CC=CC=C1 Z513749298 [2,1,0,0,0,0|0,0,0]=3 1370 B10R1.18 CC(O)CC1=CC=NC=C1 Z992409872 [2,1,0,0,0,0|1,0,0]=4 1371 B10R1.18 CC(O)CC1=NC=CC=C1 Z513750714 [2,1,0,0,0,0|1,0,0]=4 1372 B12R1.4 C#CC1=CC=C(C=C1)OC(C)C Z1080385566 [1,2,0,0,0,0|1,0,0]=4 1373 B12R1.4 CC(C)CC1=CC=C(C=C1)C=O Z385369920 [1,2,0,0,0,0|0,0,1]=4 1374 B12R1.4 CC(C)CC1=CC=C(C=C1)CO Z385370338 [1,2,0,0,0,0|0,0,0]=3 1375 B12R1.4 CC(C)OC1=CC=C(C=C1)C#N Z53834533 [1,2,0,0,0,0|1,0,0]=4 1376 B12R1.4 CC(C)OC1=CC=C(C=C1)C=O Z53833127 [1,2,0,0,0,0|0,0,1]=4 1377 B12R1.4 CC(C)OC1=CC=C(C=C1)CO Z54549633 [1,2,0,0,0,0|0,0,0]=3 1378 B12R1.4 CC(C)SC1=CC=C(C=C1)CO Z1157828975 [1,2,0,0,0,0|0,1,0]=4 1379 B12R1.4 CC(O)CC1=CC=C(C=C1)C=O Z1511913303 [1,2,0,0,0,0|0,0,1]=4 1380 B12R1.4 CN(C)CC1=CC=C(C=C1)CO Z336081024 [1,2,0,0,0,0|1,0,0]=4 1381 B12R1.4 CNC1=CC=C(C=C1)OC(C)C Z1889917384 [1,2,0,0,0,0|1,0,0]=4 1382 B12R1.4 COC1=CC=C(C=C1)CC(C)O Z228586162 [1,2,0,0,0,0|0,0,0]=3 1383 B12R1.4 COC1=CC=C(C=C1)OC(=O)C Z30195429 [1,2,0,0,0,0|0,0,1]=4 1384 B12R1.4 OCC1=CC=C(C=C1)OC(F)F Z335244764 [1,2,0,0,0,0|1,0,0]=4 1385 B12R1.19 CC(=O)CC1=CC(=C(C=C1)O)Br Z1269192817 [1,2,0,0,0,0|0,0,1]=4 1386 B12R1.19 CC(C)OC1=CC(=C(C=C1)N)Cl Z955172598 [1,2,0,0,0,0|1,0,0]=4 1387 B12R1.19 CC(C)OC1=CC(=C(C=C1)N)F Z839157364 [1,2,0,0,0,0|1,0,0]=4 1388 B12R1.19 CC(N)CC1=CC(=C(C=C1)F)Br Z285144030 [1,2,0,0,0,0|1,0,0]=4 1389 B12R1.19 CC(N)CC1=CC(=C(C=C1)O)O Z1891776857 [1,2,0,0,0,0|0,0,0]=3 1390 B12R1.19 CC(O)CC1=CC(=C(C=C1)Br)F Z1295686053 [1,2,0,0,0,0|1,0,0]=4 1391 B12R1.19 CC1=C(C=C(C=C1)CC(C)N)F Z4098107054 [1,2,0,0,0,0|1,0,0]=4 1392 B12R1.19 CC1=C(C=CC(=C1)OC(C)C)N Z239604804 [1,2,0,0,0,0|1,0,0]=4 1393 B12R1.19 CN(C)CC1=CC(=C(C=C1)O)Cl Z1945695050 [1,2,0,0,0,0|1,0,0]=4 1394 B12R1.20 CC(C)C(=O)C1=CC=C(C=C1)O Z1198150713 [1,2,0,0,0,0|0,0,1]=4 1395 B12R1.20 CC(C)C(N)C1=CC=C(C=C1)Br Z3211605350 [1,2,0,0,0,0|1,0,0]=4 1396 B12R1.20 CC(C)C(N)C1=CC=C(C=C1)Cl Z221528970 [1,2,0,0,0,0|1,0,0]=4 1397 B12R1.20 CC(C)C(N)C1=CC=C(C=C1)F Z99598998 [1,2,0,0,0,0|1,0,0]=4 1398 B12R1.20 CC(C)C(O)C1=CC=C(C=C1)Cl Z513748660 [1,2,0,0,0,0|1,0,0]=4 1399 B12R1.20 CC(N)C(O)C1=CC=C(C=C1)Br Z336086694 [1,2,0,0,0,0|1,0,0]=4 1400 B12R1.20 CC(N)C(O)C1=CC=C(C=C1)F Z336086696 [1,2,0,0,0,0|1,0,0]=4 1401 B12R1.106 CC(C)(C)CC1=CC=C(C=C1)Br Z1681356955 [1,2,0,0,0,0|1,0,0]=4 1402 B12R1.106 CC(C)(C)OC1=CC=C(C=C1)Br Z1203159865 [1,2,0,0,0,0|1,0,0]=4 1403 B12R1.106 CC(C)(C)OC1=CC=C(C=C1)N Z362795876 [1,2,0,0,0,0|1,0,0]=4 1404 B12R1.106 CC(C)(N)CC1=CC=C(C=C1)Br Z1263529603 [1,2,0,0,0,0|1,0,0]=4 1405 B12R1.106 CC(C)(O)CC1=CC=C(C=C1)Br Z513707720 [1,2,0,0,0,0|1,0,0]=4 1406 B12R1.106 CC1=CC=C(C=C1)CC(C)(C)N Z415658550 [1,2,0,0,0,0|1,0,0]=4 1407 B12R1.106 OC1=CC=C(C=C1)CC(F)(F)F Z1198278054 [1,2,0,0,0,0|1,0,0]=4 1408 B12R1.233 CC(C)CC1=C(C=C(C=C1)O)O Z1513805538 [1,2,0,0,0,0|0,0,0]=3 1409 B12R1.233 CC(C)OC1=C(C=C(C=C1)Br)N Z330805102 [1,2,0,0,0,0|1,0,0]=4 1410 B12R1.233 CC(C)OC1=C(C=C(C=C1)Cl)N Z274542066 [1,2,0,0,0,0|1,0,0]=4 1411 B12R1.233 CC(C)OC1=C(C=C(C=C1)F)N Z332376424 [1,2,0,0,0,0|1,0,0]=4 1412 B12R1.233 CC(C)OC1=C(C=C(C=C1)N)Cl Z239873346 [1,2,0,0,0,0|1,0,0]=4 1413 B12R1.233 CC(N)CC1=C(C=C(C=C1)Br)F Z405046456 [1,2,0,0,0,0|1,0,0]=4 1414 B12R1.233 CC(N)CC1=C(C=C(C=C1)Cl)Cl Z285143988 [1,2,0,0,0,0|1,0,0]=4 1415 B12R1.233 CC(N)CC1=C(C=C(C=C1)F)F Z5002837134 [1,2,0,0,0,0|1,0,0]=4 1416 B12R1.233 CC1=C(C=CC(=C1)N)OC(C)C Z385462788 [1,2,0,0,0,0|1,0,0]=4 1417 B12R1.233 CC1=CC(=C(C=C1)CC(C)N)C Z285143886 [1,2,0,0,0,0|1,0,0]=4 1418 B12R1.5 CCC(C)C1=CC=C(C=C1)C=O Z385369904 [1,2,0,0,0,0|0,0,1]=4 1419 B12R1.5 CCC(N)C1=CC=C(C=C1)OC Z85929849 [1,2,0,0,0,0|0,0,0]=3 1420 B12R1.5 CCC(O)C1=CC=C(C=C1)OC Z228586320 [1,2,0,0,0,0|0,0,0]=3 1421 B12R1.5 CCN(C)C1=CC=C(C=C1)CO Z409026316 [1,2,0,0,0,0|1,0,0]=4 1422 B12R1.5 CNC(C)C1=CC=C(C=C1)OC Z239628826 [1,2,0,0,0,0|1,0,0]=4 1423 B12R1.5 COC(=O)C1=CC=C(C=C1)CO Z25262776 [1,2,0,0,0,0|0,0,1]=4 1424 B12R1.5 COC1=CC=C(C=C1)C(N)CO Z1263714101 [1,2,0,0,0,0|1,0,0]=4 1425 B12R1.5 NCC(N)C1=CC=C(C=C1)CO Z3475823886 [1,2,0,0,0,0|1,0,0]=4 1426 B12R1.9 CC(C)(CN)C1=CC=C(C=C1)O Z4309614316 [1,2,0,0,0,0|1,0,0]=4 1427 B12R1.9 CC(N)(CO)C1=CC=C(C=C1)O Z2111443595 [1,2,0,0,0,0|1,0,0]=4 1428 B12R1.9 CCC(C)(C)C1=CC=C(C=C1)Br Z1270554970 [1,2,0,0,0,0|1,0,0]=4 1429 B12R1.9 CCC(C)(C)C1=CC=C(C=C1)O Z104477686 [1,2,0,0,0,0|0,0,0]=3 1430 B12R1.9 CCC(C)(O)C1=CC=C(C=C1)Cl Z449374102 [1,2,0,0,0,0|1,0,0]=4 1431 B12R1.9 COC(C)(C)C1=CC=C(C=C1)Br Z1269200225 [1,2,0,0,0,0|1,0,0]=4 1432 B12R1.12 CC/C(=N/O)/C1=CC=C(C=C1)O Z49568596 [1,2,0,0,0,0|0,0,1]=4 1433 B12R1.12 CCC(C#N)C1=CC=C(C=C1)Cl Z1198339343 [1,2,0,0,0,0|1,0,0]=4 1434 B12R1.12 CCC(CN)C1=CC=C(C=C1)Cl Z1198306661 [1,2,0,0,0,0|1,0,0]=4 1435 B12R1.12 COC(C#N)C1=CC=C(C=C1)F Z1270207023 [1,2,0,0,0,0|1,0,0]=4 1436 B12R1.12 COC(CN)C1=CC=C(C=C1)C Z4168346391 [1,2,0,0,0,0|1,0,0]=4 1437 B12R1.12 COC(CN)C1=CC=C(C=C1)Cl Z838184210 [1,2,0,0,0,0|1,0,0]=4 1438 B12R1.12 COC(CN)C1=CC=C(C=C1)F Z1278866649 [1,2,0,0,0,0|1,0,0]=4 1439 B12R1.12 COC(CN)C1=CC=C(C=C1)O Z4639315632 [1,2,0,0,0,0|0,0,0]=3 1440 B12R1.12 OCC(CO)C1=CC=C(C=C1)O Z1513899322 [1,2,0,0,0,0|1,0,0]=4 1441 B12R1.367 CCC(=O)C1=CC(=C(C=C1)O)F Z1255468561 [1,2,0,0,0,0|0,0,1]=4 1442 B12R1.367 CCC(=O)C1=CC(=C(C=C1)O)N Z2177031047 [1,2,0,0,0,0|0,0,1]=4 1443 B12R1.367 CCC(C)C1=CC(=C(C=C1)O)N Z57441610 [1,2,0,0,0,0|0,0,0]=3 1444 B12R1.367 CCC(N)C1=CC(=C(C=C1)Br)F Z5368653956 [1,2,0,0,0,0|1,0,0]=4 1445 B12R1.367 CCC(O)C1=CC(=C(C=C1)Cl)Cl Z235447502 [1,2,0,0,0,0|1,0,0]=4 1446 B12R1.367 CC[C@@H](O)C1=CC(=C(C=C1)Cl)Cl Z1483951050 [1,2,0,0,0,0|1,0,0]=4 1447 B12R1.367 CC[C@H](O)C1=CC(=C(C=C1)C)F Z1255444475 [1,2,0,0,0,0|1,0,0]=4 1448 B12R1.367 COC(=O)C1=CC(=C(C=C1)O)Br Z111782420 [1,2,0,0,0,0|0,0,1]=4 1449 B12R1.367 COC(=O)C1=CC(=C(C=C1)O)Cl Z25120254 [1,2,0,0,0,0|0,0,1]=4 1450 B12R1.367 COC(=O)C1=CC(=C(C=C1)O)F Z1198152178 [1,2,0,0,0,0|0,0,1]=4 1451 B12R1.367 COC(=O)C1=CC(=C(C=C1)O)N Z802838774 [1,2,0,0,0,0|0,0,1]=4 1452 B12R1.1703 CCC(N)C1=C(C=C(C=C1)F)F Z335236622 [1,2,0,0,0,0|1,0,0]=4 1453 B12R1.1703 CCC(O)C1=C(C=C(C=C1)Cl)F Z1082848670 [1,2,0,0,0,0|1,0,0]=4 1454 B12R1.1703 CCC(O)C1=C(C=C(C=C1)F)F Z756131106 [1,2,0,0,0,0|1,0,0]=4 1455 B12R1.1703 COC(=O)C1=C(C=C(C=C1)O)Cl Z1198164600 [1,2,0,0,0,0|0,0,1]=4 1456 B12R1.1703 COC(=O)C1=C(C=C(C=C1)O)F Z1198184471 [1,2,0,0,0,0|0,0,1]=4 1457 B12R1.1703 COC(=O)C1=C(C=C(C=C1)O)N Z1255399732 [1,2,0,0,0,0|0,0,1]=4 1458 B12R1.1703 COC(=O)C1=C(C=C(C=C1)O)O Z25218921 [1,2,0,0,0,0|0,0,1]=4 1459 B12R1.112 CCOC1=C(C=C(C=C1)Br)C#N Z57756797 [1,2,0,0,0,0|1,0,0]=4 1460 B12R1.112 CCOC1=C(C=C(C=C1)Br)C=O Z53834335 [1,2,0,0,0,0|1,0,0]=4 1461 B12R1.112 CCOC1=C(C=C(C=C1)Cl)C=O Z57498102 [1,2,0,0,0,0|1,0,0]=4 1462 B12R1.112 CCOC1=C(C=C(C=C1)N)CO Z408157854 [1,2,0,0,0,0|1,0,0]=4 1463 B12R1.112 CCOC1=C(C=C(C=C1)N)OC Z57011404 [1,2,0,0,0,0|1,0,0]=4 1464 B12R1.112 COCC1=C(C=C(C=C1)N)C#N Z1551937747 [1,2,0,0,0,0|1,0,0]=4 1465 B12R1.112 COCC1=C(C=C(C=C1)N)OC Z1551924555 [1,2,0,0,0,0|1,0,0]=4 1466 B12R1.114 C#CC1=CC(=C(C=C1)OCC)F Z1650045861 [1,2,0,0,0,0|1,0,0]=4 1467 B12R1.114 CCOC1=C(C=C(C=C1)C#N)Cl Z57756799 [1,2,0,0,0,0|1,0,0]=4 1468 B12R1.114 CCOC1=C(C=C(C=C1)C#N)F Z445161840 [1,2,0,0,0,0|1,0,0]=4 1469 B12R1.114 CCOC1=C(C=C(C=C1)C#N)N Z425853644 [1,2,0,0,0,0|1,0,0]=4 1470 B12R1.114 CCOC1=C(C=C(C=C1)C=O)F Z335440274 [1,2,0,0,0,0|0,0,1]=4 1471 B12R1.114 CCOC1=C(C=C(C=C1)C=O)O Z1198155327 [1,2,0,0,0,0|0,0,1]=4 1472 B12R1.114 CCOC1=C(C=C(C=C1)CN)C Z606260618 [1,2,0,0,0,0|1,0,0]=4 1473 B12R1.114 CCOC1=C(C=C(C=C1)CN)F Z362597728 [1,2,0,0,0,0|1,0,0]=4 1474 B12R1.114 CCOC1=C(C=C(C=C1)OC)N Z239604774 [1,2,0,0,0,0|0,0,0]=3 1475 B12R1.114 COC1=CC(=C(C=C1)CCN)Cl Z1198183309 [1,2,0,0,0,0|1,0,0]=4 1476 B12R1.114 COCC1=C(C=C(C=C1)CN)F Z285164108 [1,2,0,0,0,0|1,0,0]=4 1477 B12R1.1095 CCOC1=C(C=C(C=C1Cl)N)Cl Z398428264 [1,2,0,0,0,0|1,0,0]=4 1478 B12R1.1095 CCOC1=C(C=C(C=C1N)Cl)Br Z227829266 [1,2,0,0,0,0|1,0,0]=4 1479 B12R1.1095 NCCC1=C(C=C(C=C1F)O)F Z1255445332 [1,2,0,0,0,0|1,0,0]=4 1480 B12R1.113 CCCC1=CC=C(C=C1)B(O)O Z336079950 [1,2,0,0,0,0|0,0,0]=3 1481 B12R1.113 CCCC1=CC=C(C=C1)C(=O)O Z285150282 [1,2,0,0,0,0|0,0,0]=3 1482 B12R1.113 CCCC1=CC=C(C=C1)[C@@H](C)O Z360056068 [1,2,0,0,0,0|0,0,0]=3 1483 B12R1.113 CCNC1=CC=C(C=C1)C(=O)O Z381340222 [1,2,0,0,0,0|1,0,0]=4 1484 B12R1.113 CCOC1=CC=C(C=C1)B(O)O Z336079910 [1,2,0,0,0,0|0,0,0]=3 1485 B12R1.113 CCOC1=CC=C(C=C1)C(=N)N Z1262327405 [1,2,0,0,0,0|1,0,0]=4 1486 B12R1.113 CCOC1=CC=C(C=C1)C(=O)C Z53832961 [1,2,0,0,0,0|0,0,1]=4 1487 B12R1.113 CCOC1=CC=C(C=C1)C(=O)N Z33546681 [1,2,0,0,0,0|0,0,1]=4 1488 B12R1.113 CCOC1=CC=C(C=C1)C(=O)O Z56759338 [1,2,0,0,0,0|0,0,0]=3 1489 B12R1.113 CCOC1=CC=C(C=C1)C(=S)N Z56953071 [1,2,0,0,0,0|0,1,0]=4 1490 B12R1.113 CCOC1=CC=C(C=C1)C(C)N Z203884180 [1,2,0,0,0,0|1,0,0]=4 1491 B12R1.113 CCOC1=CC=C(C=C1)S(=O)[O-] Z2111525259 [1,2,0,0,0,0|0,0,1]=4 1492 B12R1.113 CCOC1=CC=C(C=C1)[C@@H](C)O Z360055638 [1,2,0,0,0,0|0,0,0]=3 1493 B12R1.113 CCOC1=CC=C(C=C1)[C@H](C)O Z360055632 [1,2,0,0,0,0|0,0,0]=3 1494 B12R1.113 CCOC1=NC=C(C=C1)C(=O)O Z240114982 [1,2,0,0,0,0|1,0,0]=4 1495 B12R1.113 CCSC1=CC=C(C=C1)C(=O)O Z228030812 [1,2,0,0,0,0|0,1,0]=4 1496 B12R1.113 COCC1=CC=C(C=C1)B(O)O Z823983404 [1,2,0,0,0,0|0,0,0]=3 1497 B12R1.113 COCC1=CC=C(C=C1)C(=O)N Z52214428 [1,2,0,0,0,0|0,0,1]=4 1498 B12R1.113 COCC1=CC=C(C=C1)C(=O)O Z57981093 [1,2,0,0,0,0|0,0,0]=3 1499 B12R1.113 COCC1=NC=C(C=C1)C(=O)O Z1255402225 [1,2,0,0,0,0|1,0,0]=4 1500 B12R1.113 CSCC1=CC=C(C=C1)C(=O)O Z51581091 [1,2,0,0,0,0|0,1,0]=4 1501 B12R1.113 NCCC1=CC=C(C=C1)B(O)O Z3244520031 [1,2,0,0,0,0|1,0,0]=4 1502 B12R1.113 NCCC1=CC=C(C=C1)C(=O)O Z104341512 [1,2,0,0,0,0|1,0,0]=4 1503 B12R1.113 O=C(O)C1=CC=C(C=C1)CCO Z1198159608 [1,2,0,0,0,0|1,0,0]=4 1504 B12R1.116 CCOC1=CC=C(C=C1)/C=N/O Z49568529 [1,2,0,0,0,0|0,0,0]=3 1505 B12R1.288 CCCC1=CC(=C(C=C1)OC)O Z87001810 [1,2,0,0,0,0|0,0,0]=3 1506 B12R1.288 CCOC1=CC(=C(C=C1)C=O)C Z1198168460 [1,2,0,0,0,0|0,0,1]=4 1507 B12R1.288 CCOC1=CC(=C(C=C1)C=O)Cl Z1511766843 [1,2,0,0,0,0|0,0,1]=4 1508 B12R1.288 CCOC1=CC(=C(C=C1)C=O)O Z56862355 [1,2,0,0,0,0|0,0,1]=4 1509 B12R1.288 CCOC1=CC(=C(C=C1)CN)C Z5009842923 [1,2,0,0,0,0|1,0,0]=4 1510 B12R1.288 CNCC1=CC(=C(C=C1)OC)Br Z3243654223 [1,2,0,0,0,0|1,0,0]=4 1511 B12R1.288 CNCC1=CC(=C(C=C1)OC)C Z1101435075 [1,2,0,0,0,0|1,0,0]=4 1512 B12R1.288 CNCC1=CC(=C(C=C1)OC)Cl Z839166898 [1,2,0,0,0,0|1,0,0]=4 1513 B12R1.288 CNCC1=CC(=C(C=C1)OC)F Z85956704 [1,2,0,0,0,0|1,0,0]=4 1514 B12R1.288 CNCC1=CC(=C(C=C1)OC)O Z57842333 [1,2,0,0,0,0|1,0,0]=4 1515 B12R1.288 COC1=C(C=C(C=C1)CCN)Br Z5122698103 [1,2,0,0,0,0|1,0,0]=4 1516 B12R1.288 COC1=C(C=C(C=C1)CCN)Cl Z3295464152 [1,2,0,0,0,0|1,0,0]=4 1517 B12R1.288 COC1=C(C=C(C=C1)CCN)F Z382820754 [1,2,0,0,0,0|1,0,0]=4 1518 B12R1.288 COC1=C(C=C(C=C1)CCO)O Z1198339386 [1,2,0,0,0,0|1,0,0]=4 1519 B12R1.44 CC1=CC(=CC(=C1O)C)CCN Z1809367687 [1,2,0,0,0,0|1,0,0]=4 1520 B12R1.44 OCCC1=CC(=C(C(=C1)Br)O)Br Z1860411848 [1,2,0,0,0,0|1,0,0]=4 1521 B12R1.286 CCCC1=CC(=C(C=C1)N)C#N Z1532769937 [1,2,0,0,0,0|1,0,0]=4 1522 B12R1.286 CCCC1=CC(=C(C=C1)O)CO Z1513840121 [1,2,0,0,0,0|0,0,0]=3 1523 B12R1.286 CCOC1=CC(=C(C=C1)Br)C=O Z1269132679 [1,2,0,0,0,0|1,0,0]=4 1524 B12R1.286 CCOC1=CC(=C(C=C1)O)C=O Z56347093 [1,2,0,0,0,0|0,0,0]=3 1525 B12R1.286 CNCC1=CC(=C(C=C1)O)OC Z425387552 [1,2,0,0,0,0|1,0,0]=4 1526 B12R1.286 COC1=C(C=CC(=C1)CCN)O Z1268152336 [1,2,0,0,0,0|1,0,0]=4 1527 B12R1.286 NCCC1=CC(=C(C=C1)O)CO Z1262658266 [1,2,0,0,0,0|1,0,0]=4 1528 B12R1.3 CCCC(C=O)C1=CC=CC=C1 Z1251357295 [1,2,0,0,0,0|1,0,0]=4 1529 B12R1.3 CCNC(CC)C1=CC=CC=C1 Z316386730 [1,2,0,0,0,0|1,0,0]=4 1530 B12R1.3 CCOC(C#N)C1=CC=CC=C1 Z1270207114 [1,2,0,0,0,0|0,0,0]=3 1531 B12R1.17 CCNC(C)C1=CC(=CC=C1)O Z3479644552 [1,2,0,0,0,0|1,0,0]=4 1532 B12R1.17 CCOC(=O)C1=CC(=CC=C1)N Z94601364 [1,2,0,0,0,0|0,0,1]=4 1533 B12R1.30 CCCCC(O)C1=CC=CC=C1 Z445987132 [1,2,0,0,0,0|1,0,0]=4 1534 B12R1.30 CCCC[C@@H](N)C1=CC=CC=C1 Z1642061107 [1,2,0,0,0,0|1,0,0]=4 1535 B12R1.30 CCCC[C@@H](O)C1=CC=CC=C1 Z1127664488 [1,2,0,0,0,0|1,0,0]=4 1536 B12R1.30 CCCC[C@H](N)C1=CC=CC=C1 Z1649893428 [1,2,0,0,0,0|1,0,0]=4 1537 B12R1.30 CCCC[C@H](O)C1=CC=CC=C1 Z1127664374 [1,2,0,0,0,0|1,0,0]=4 1538 B12R1.30 CCCNC(C)C1=CC=CC=C1 Z57397067 [1,2,0,0,0,0|1,0,0]=4 1539 B12R1.30 CCCOC(=O)C1=CC=CC=C1 Z53835171 [1,2,0,0,0,0|0,0,1]=4 1540 B12R1.30 CCNCC(N)C1=CC=CC=C1 Z756920572 [1,2,0,0,0,0|1,0,0]=4 1541 B12R1.30 CCSCC(=O)C1=CC=CC=C1 Z447928014 [1,2,0,0,0,0|0,1,0]=4 1542 B12R1.30 COCCC(O)C1=CC=CC=C1 Z818738046 [1,2,0,0,0,0|1,0,0]=4 1543 B12R1.30 C[C@H](NCCO)C1=CC=CC=C1 Z1079131628 [1,2,0,0,0,0|1,0,0]=4 1544 B12R1.30 NC(CCCO)C1=CC=CC=C1 Z1245735325 [1,2,0,0,0,0|1,0,0]=4 1545 B12R1.30 O=C(OCCCl)C1=CC=CC=C1 Z56928949 [1,2,0,0,0,0|0,0,1]=4 1546 B12R1.30 O=C(OCCO)C1=CC=CC=C1 Z228585788 [1,2,0,0,0,0|0,0,1]=4 1547 B12R1.34 CCC(N)C(C)C1=CC=CC=C1 Z1318372590 [1,2,0,0,0,0|1,0,0]=4 1548 B12R1.34 CCC(N)C(O)C1=CC=CC=C1 Z1695783907 [1,2,0,0,0,0|1,0,0]=4 1549 B12R1.39 CCNC(C)(C)C1=CC=CC=C1 Z991114618 [1,2,0,0,0,0|1,0,0]=4 1550 B12R1.107 CC(C)CC(N)C1=CC=CC=C1 Z85929891 [1,2,0,0,0,0|1,0,0]=4 1551 B12R1.107 CC(N)CC(O)C1=CC=CC=C1 Z1262623600 [1,2,0,0,0,0|1,0,0]=4 1552 B12R1.308 CCCC(O)C1=C(C=CC=C1)Cl Z733415366 [1,2,0,0,0,0|1,0,0]=4 1553 B12R1.308 CCOC(=O)C1=C(C=CC=C1)O Z53833295 [1,2,0,0,0,0|0,0,1]=4 1554 B12R1.125 CC(C)NCC1=C(C=CC=C1)F Z86129898 [1,2,0,0,0,0|1,0,0]=4 1555 B12R1.125 CC(C)OCC1=C(C=CC=C1)N Z285178240 [1,2,0,0,0,0|0,0,0]=3 1556 B12R1.267 CCCCOC1=C(C=CC=C1)Br Z149303058 [1,2,0,0,0,0|1,0,0]=4 1557 B12R1.267 CCCCOC1=C(C=CC=C1)N Z239604730 [1,2,0,0,0,0|1,0,0]=4 1558 B12R1.267 CCCNCC1=C(C=CC=C1)F Z2524454856 [1,2,0,0,0,0|1,0,0]=4 1559 B12R1.267 CCCNCC1=C(C=CC=C1)O Z316257178 [1,2,0,0,0,0|1,0,0]=4 1560 B12R1.267 NCCOCC1=C(C=CC=C1)Cl Z1259340990 [1,2,0,0,0,0|0,0,0]=3 1561 B12R1.267 NCCSCC1=C(C=CC=C1)F Z89265003 [1,2,0,0,0,0|0,1,0]=4 1562 B12R1.267 OCCNCC1=C(C=CC=C1)Br Z90504623 [1,2,0,0,0,0|1,0,0]=4 1563 B12R1.371 CCC(=O)CC1=C(C=CC=C1)Br Z513735296 [1,2,0,0,0,0|1,0,0]=4 1564 B12R1.371 CCC(N)CC1=C(C=CC=C1)Br Z1416200896 [1,2,0,0,0,0|1,0,0]=4 1565 B12R1.374 CCNCC1=C(C=CC(=C1)Br)F Z1262250892 [1,2,0,0,0,0|1,0,0]=4 1566 B12R1.374 CCNCC1=C(C=CC(=C1)Br)O Z944939986 [1,2,0,0,0,0|1,0,0]=4 1567 B12R1.28 CC1=CC(=CC=C1)CNCCO Z1836652697 [1,2,0,0,0,0|1,0,0]=4 1568 B12R1.28 CCCCNC1=CC(=CC=C1)I Z1266854879 [1,2,0,0,0,0|1,0,0]=4 1569 B12R1.28 CCCCOC1=CC(=CC=C1)N Z802665964 [1,2,0,0,0,0|1,0,0]=4 1570 B12R1.28 NCCOCC1=CC(=CC=C1)Cl Z1891776830 [1,2,0,0,0,0|0,0,0]=3 1571 B12R1.28 OCCCCC1=CC(=CC=C1)Br Z1233226242 [1,2,0,0,0,0|1,0,0]=4 1572 B12R1.28 OCCNCC1=CC(=CC=C1)Cl Z1839480752 [1,2,0,0,0,0|1,0,0]=4 1573 B12R1.28 OCCNCC1=CC(=CC=C1)F Z1840356205 [1,2,0,0,0,0|1,0,0]=4 1574 B12R1.50 CCS(=O)CC1=CC(=CC=C1)Br Z1618064713 [1,2,0,0,0,0|0,1,0]=4 1575 B12R1.100 CCCCC1=CC(=CC(=C1)O)O Z1513806573 [1,2,0,0,0,0|1,0,0]=4 1576 B12R1.226 CC(C)NCC1=CC(=CC=C1)Br Z86129864 [1,2,0,0,0,0|1,0,0]=4 1577 B12R1.226 CC(C)NCC1=CC(=CC=C1)Cl Z86129878 [1,2,0,0,0,0|1,0,0]=4 1578 B12R1.226 CC(C)NCC1=CC(=CC=C1)F Z86129899 [1,2,0,0,0,0|1,0,0]=4 1579 B12R1.226 CC(C)OCC1=CC(=CC=C1)Br Z823855536 [1,2,0,0,0,0|0,0,0]=3 1580 B12R1.226 CC(C)OCC1=CC(=CC=C1)N Z285178238 [1,2,0,0,0,0|0,0,0]=3 1581 B12R1.226 CC(C)SCC1=CC(=CC=C1)N Z600446400 [1,2,0,0,0,0|0,1,0]=4 1582 B12R1.226 CC(N)CCC1=CC(=CC=C1)F Z406452418 [1,2,0,0,0,0|1,0,0]=4 1583 B12R1.382 CCOCC1=CC(=CC=C1)CN Z744843456 [1,2,0,0,0,0|0,0,0]=3 1584 B12R1.8 C#CCNOCC1=CC=CC=C1 Z1251328742 [1,2,0,0,0,0|0,0,1]=4 1585 B12R1.8 CCCCCOC1=CC=CC=C1 Z239095428 [1,2,0,0,0,0|1,0,0]=4 1586 B12R1.8 CCCNCCC1=CC=CC=C1 Z90518163 [1,2,0,0,0,0|1,0,0]=4 1587 B12R1.8 CCOCCNC1=CC=CC=C1 Z5256735719 [1,2,0,0,0,0|0,0,0]=3 1588 B12R1.8 CNCCCCC1=CC=CC=C1 Z385446848 [1,2,0,0,0,0|1,0,0]=4 1589 B12R1.8 CNCCCNC1=CC=CC=C1 Z852438504 [1,2,0,0,0,0|1,0,0]=4 1590 B12R1.8 CNCCCOC1=CC=CC=C1 Z163881564 [1,2,0,0,0,0|1,0,0]=4 1591 B12R1.8 CNCCNCC1=CC=CC=C1 Z425484772 [1,2,0,0,0,0|1,0,0]=4 1592 B12R1.8 COCCNCC1=CC=CC=C1 Z56945503 [1,2,0,0,0,0|1,0,0]=4 1593 B12R1.8 N#CCCOCC1=CC=CC=C1 Z317037710 [1,2,0,0,0,0|0,0,0]=3 1594 B12R1.8 NCCCCCC1=CC=CC=C1 Z820118542 [1,2,0,0,0,0|1,0,0]=4 1595 B12R1.8 NCCCOCC1=CC=CC=C1 Z104377938 [1,2,0,0,0,0|0,0,0]=3 1596 B12R1.8 NCCOCCC1=CC=CC=C1 Z1270210787 [1,2,0,0,0,0|0,0,0]=3 1597 B12R1.8 OCCCCOC1=CC=CC=C1 Z425795850 [1,2,0,0,0,0|1,0,0]=4 1598 B12R1.8 OCCCNCC1=CC=CC=C1 Z57079457 [1,2,0,0,0,0|1,0,0]=4 1599 B12R1.8 OCCCOCC1=CC=CC=C1 Z1080358454 [1,2,0,0,0,0|0,0,0]=3 1600 B12R1.8 OCCCSCC1=CC=CC=C1 Z104944808 [1,2,0,0,0,0|0,1,0]=4 1601 B12R1.8 OCCNCCC1=CC=CC=C1 Z90504498 [1,2,0,0,0,0|1,0,0]=4 1602 B12R1.27 CC(C=O)CCC1=CC=CC=C1 Z1238838034 [1,2,0,0,0,0|1,0,0]=4 1603 B12R1.27 CC(CO)OCC1=CC=CC=C1 Z1492906786 [1,2,0,0,0,0|0,0,0]=3 1604 B12R1.27 CCC(C)NCC1=CC=CC=C1 Z57981002 [1,2,0,0,0,0|1,0,0]=4 1605 B12R1.27 CCC(N)CCC1=CC=CC=C1 Z406453862 [1,2,0,0,0,0|1,0,0]=4 1606 B12R1.27 CCC(N)CNC1=CC=CC=C1 Z756919558 [1,2,0,0,0,0|1,0,0]=4 1607 B12R1.27 CCC(N)CSC1=CC=CC=C1 Z1238715197 [1,2,0,0,0,0|1,0,0]=4 1608 B12R1.27 CCC(O)CNC1=CC=CC=C1 Z600449702 [1,2,0,0,0,0|1,0,0]=4 1609 B12R1.27 CNC(=O)OCC1=CC=CC=C1 Z32016983 [1,2,0,0,0,0|0,0,1]=4 1610 B12R1.27 C[C@H](CO)NCC1=CC=CC=C1 Z823499606 [1,2,0,0,0,0|1,0,0]=4 1611 B12R1.27 NCC(=O)OCC1=CC=CC=C1 Z56904671 [1,2,0,0,0,0|0,0,1]=4 1612 B12R1.32 CCCC(=O)CC1=CC=CC=C1 Z513733628 [1,2,0,0,0,0|1,0,0]=4 1613 B12R1.32 CCCC(C)NC1=CC=CC=C1 Z334878280 [1,2,0,0,0,0|1,0,0]=4 1614 B12R1.32 CCCC(N)CC1=CC=CC=C1 Z513795750 [1,2,0,0,0,0|1,0,0]=4 1615 B12R1.32 CCOC(=O)CC1=CN=CC=C1 Z982129808 [1,2,0,0,0,0|1,0,0]=4 1616 B12R1.32 CN(CCN)CC1=CC=CC=C1 Z285207092 [1,2,0,0,0,0|1,0,0]=4 1617 B12R1.32 CN(CCO)CC1=CC=CC=C1 Z137706074 [1,2,0,0,0,0|1,0,0]=4 1618 B12R1.32 CNCC(N)CC1=CC=CC=C1 Z756920442 [1,2,0,0,0,0|1,0,0]=4 1619 B12R1.32 COCC(=O)CC1=CC=CC=C1 Z447897954 [1,2,0,0,0,0|1,0,0]=4 1620 B12R1.32 COCC(N)CC1=CC=CC=C1 Z825742276 [1,2,0,0,0,0|1,0,0]=4 1621 B12R1.32 NC(CCO)CC1=CC=CC=C1 Z1992316427 [1,2,0,0,0,0|1,0,0]=4 1622 B12R1.32 NCCS(=O)CC1=CC=CC=C1 Z802568488 [1,2,0,0,0,0|0,1,0]=4 1623 B12R1.252 CC(N)COCC1=CC=CC=C1 Z271012730 [1,2,0,0,0,0|0,0,0]=3 1624 B12R1.252 CC(O)CNCC1=CC=CC=C1 Z57326978 [1,2,0,0,0,0|1,0,0]=4 1625 B12R1.252 CN(C)CCCC1=CC=CC=C1 Z204698992 [1,2,0,0,0,0|1,0,0]=4 1626 B12R1.252 FC(F)CNCC1=CC=CC=C1 Z608352166 [1,2,0,0,0,0|1,0,0]=4 1627 B12R1.252 N=C(N)COCC1=CC=CC=C1 Z2574925846 [1,2,0,0,0,0|0,0,1]=4 1628 B12R1.252 NC(=O)COCC1=CC=CC=C1 Z52214418 [1,2,0,0,0,0|0,0,1]=4 1629 B12R1.43 CC(Cl)C(=O)CC1=CC=CC=C1 Z558478664 [1,2,0,0,0,0|1,0,0]=4 1630 B12R1.43 CC(N)C(=O)CC1=CC=CC=C1 Z1262640515 [1,2,0,0,0,0|1,0,0]=4 1631 B12R1.43 CC(N)C(O)CC1=CC=CC=C1 Z1483956878 [1,2,0,0,0,0|1,0,0]=4 1632 B12R1.118 CCC(CC1=CC=CC=C1)NC Z513799420 [1,2,0,0,0,0|1,0,0]=4 1633 B12R1.118 CCN(CC1=CC=CC=C1)N=O Z1198158367 [1,2,0,0,0,0|1,0,0]=4 1634 B12R1.891 CC(C)(C)NCC1=CC=CC=C1 Z56175285 [1,2,0,0,0,0|1,0,0]=4 1635 B12R1.891 CC(C)(N)CCC1=CC=CC=C1 Z1263529573 [1,2,0,0,0,0|1,0,0]=4 1636 B12R1.891 CC(C)(O)CCC1=CC=CC=C1 Z513713254 [1,2,0,0,0,0|1,0,0]=4 1637 B12R1.337 CCOCC1=CC=C(O1)C(=O)O Z166631686 [0,2,0,0,1,0|1,0,0]=4 1638 B14R1.14 CC1=CC=C(C=C1)OCCOCCO Z756092324 [0,3,0,0,0,0|1,0,0]=4 1639 B14R1.19 CCCCOC(=O)C1=CC=C(C=C1)O Z291799028 [0,3,0,0,0,0|0,0,1]=4 1640 B14R1.33 CCONC(=O)CC1=CC=C(C=C1)Br Z193284454 [0,3,0,0,0,0|1,0,0]=4 1641 B14R1.33 CCONC(=O)CC1=CC=C(C=C1)Cl Z245505846 [0,3,0,0,0,0|1,0,0]=4 1642 B14R1.33 O=C(CC1=CC=C(C=C1)O)NCCO Z135440350 [0,3,0,0,0,0|1,0,0]=4 1643 B14R1.502 CCNC(=O)CCC1=CC=C(C=C1)O Z1634469457 [0,3,0,0,0,0|1,0,0]=4 1644 B14R1.502 CCOC(=O)CCC1=CC=C(C=C1)N Z1250132306 [0,3,0,0,0,0|1,0,0]=4 1645 B14R1.502 CCOC(=O)CNC1=CC=C(C=C1)F Z56968885 [0,3,0,0,0,0|1,0,0]=4 1646 B14R1.502 CCOC(=O)COC1=CC=C(C=C1)N Z239127424 [0,3,0,0,0,0|1,0,0]=4 1647 B14R1.502 CCOC(=O)COC1=CC=C(C=C1)O Z1200224157 [0,3,0,0,0,0|0,0,0]=3 1648 B14R1.774 CCCCCCC1=C(C=C(C=C1)O)O Z1197943321 [0,3,0,0,0,0|1,0,0]=4 1649 B14R1.774 CCOCCOC1=C(C=C(C=C1)Br)N Z330804868 [0,3,0,0,0,0|1,0,0]=4 1650 B14R1.774 CCOCCOC1=C(C=C(C=C1)Cl)N Z330804864 [0,3,0,0,0,0|1,0,0]=4 1651 B14R1.776 CCCCCOC1=CC=C(C=C1)CO Z335245846 [0,3,0,0,0,0|1,0,0]=4 1652 B14R1.776 CNCCOCC1=CC=C(C=C1)C#N Z2120061162 [0,3,0,0,0,0|1,0,0]=4 1653 B14R1.776 COC1=CC=C(C=C1)COCCC#N Z335080412 [0,3,0,0,0,0|0,0,0]=3 1654 B14R1.776 COC1=CC=C(C=C1)COCCCN Z330915862 [0,3,0,0,0,0|0,0,0]=3 1655 B14R1.776 COCCNCC1=CC=C(C=C1)OC Z89283337 [0,3,0,0,0,0|1,0,0]=4 1656 B14R1.776 COCCOCC1=CC=C(C=C1)C=O Z2016905573 [0,3,0,0,0,0|0,0,1]=4 1657 B14R1.679 CC(OCC1=CC=C(C=C1)F)C(=O)O Z1262558351 [0,3,0,0,0,0|1,0,0]=4 1658 B14R1.679 CC1=CC=C(C=C1)COC(C)C(=O)O Z1714301562 [0,3,0,0,0,0|1,0,0]=4 1659 B14R1.35 CCOC(=O)C(N)C1=CC=C(C=C1)Cl Z221603864 [0,3,0,0,0,0|1,0,0]=4 1660 B14R1.35 CCOC(=O)C(O)C1=CC=C(C=C1)C Z965048106 [0,3,0,0,0,0|1,0,0]=4 1661 B14R1.926 CCCCC(N)C1=CC=C(C=C1)OC Z291233346 [0,3,0,0,0,0|1,0,0]=4 1662 B14R1.954 CCOC(=O)CC1=CC=C(C=C1)CN Z3234813519 [0,3,0,0,0,0|1,0,0]=4 1663 B14R1.954 CNCC(C)CC1=CC=C(C=C1)OC Z992332056 [0,3,0,0,0,0|1,0,0]=4 1664 B14R1.954 COC1=CC=C(C=C1)CN(C)CCN Z3246280295 [0,3,0,0,0,0|1,0,0]=4 1665 B14R1.967 CCOC(=O)CC1=CC(=C(C=C1)Br)F Z1269194860 [0,3,0,0,0,0|1,0,0]=4 1666 B14R1.967 CCOC(=O)CC1=CC(=C(C=C1)N)Cl Z1269164666 [0,3,0,0,0,0|1,0,0]=4 1667 B14R1.6823 CCOC(=O)CC1=C(C=C(C=C1)F)F Z1020789024 [0,3,0,0,0,0|1,0,0]=4 1668 B14R1.463 CCCCOC1=C(C=C(C=C1)OC)N Z239604776 [0,3,0,0,0,0|1,0,0]=4 1669 B14R1.463 NCC1=CC(=C(C=C1)COCCO)F Z332379826 [0,3,0,0,0,0|1,0,0]=4 1670 B14R1.4 COC1=CC=C(C=C1)CNCC(C)O Z5774179697 [0,3,0,0,0,0|1,0,0]=4 1671 B14R1.462 CCCCOC1=CC=C(C=C1)B(O)O Z336080310 [0,3,0,0,0,0|1,0,0]=4 1672 B14R1.462 CCCCOC1=CC=C(C=C1)C(=O)O Z56862706 [0,3,0,0,0,0|1,0,0]=4 1673 B14R1.465 CCCCOC1=CC=C(C=C1)CCO Z1198265141 [0,3,0,0,0,0|1,0,0]=4 1674 B14R1.909 CNCCCC1=CC(=C(C=C1)OC)Br Z5102802063 [0,3,0,0,0,0|1,0,0]=4 1675 B14R1.131 NC1=CC=C(C=C1)COCC(F)(F)F Z414318864 [0,3,0,0,0,0|1,0,0]=4 1676 B14R1.503 CCCC(CCC)C1=CC=C(C=C1)O Z1322793592 [0,3,0,0,0,0|1,0,0]=4 1677 B14R1.685 CC(C)OC(=O)C1=CC(=C(C=C1)O)O Z292797840 [0,3,0,0,0,0|0,0,1]=4 1678 B14R1.25 CCOC(=O)C1=CC=C(C=C1)OCC Z53835769 [0,3,0,0,0,0|0,0,1]=4 1679 B14R1.610 CCOC(=O)C1=CC=C(C=C1)C(=O)O Z1198153982 [0,3,0,0,0,0|0,0,1]=4 1680 B14R1.6821 CCOC(=O)C1=CC(=C(C(=C1)Cl)O)Cl Z54462278 [0,3,0,0,0,0|0,0,1]=4 1681 B14R1.3 COC1=CC=C(C=C1)CC(N)C(C)C Z4521773945 [0,3,0,0,0,0|1,0,0]=4 1682 B14R1.142 CCOC1=CC=C(C=C1)CNC(C)C Z1076467054 [0,3,0,0,0,0|1,0,0]=4 1683 B14R1.419 CC(=O)OCC1=CC=C(C=C1)C(=O)O Z54580268 [0,3,0,0,0,0|0,0,1]=4 1684 B14R1.419 CC(C)OCC1=CC=C(C=C1)C(=O)O Z85917617 [0,3,0,0,0,0|0,0,0]=3 1685 B14R1.42 COC1=C(C=CC(=C1)CCC(C)N)O Z3324923673 [0,3,0,0,0,0|1,0,0]=4 1686 B14R1.71 CCCCC1=C(C=C(C=C1)C(=O)O)N Z1216845594 [0,3,0,0,0,0|1,0,0]=4 1687 B14R1.68 CCCCC1=CC=C(C=C1)CC(=O)O Z57073686 [0,3,0,0,0,0|1,0,0]=4 1688 B14R1.70 CCNCC1=CC=C(C=C1)OCCO Z409367054 [0,3,0,0,0,0|1,0,0]=4 1689 B14R1.793 CCNCC1=CC(=C(C=C1)OC)OC Z89283372 [0,3,0,0,0,0|1,0,0]=4 1690 B14R1.791 CCNCC1=CC(=C(C=C1)O)OCC Z425449648 [0,3,0,0,0,0|1,0,0]=4 1691 B10R2.6 C1=CC(=CC=N1)C2CC2 Z3042074264 [2,0,0,1,0,0|1,0,0]=4 1692 B10R2.6 C1=CC(=CC=N1)C2CO2 Z1187818726 [2,0,0,1,0,0|1,0,0]=4 1693 B10R2.6 C1=CC(=CN=C1)C2CO2 Z1187818722 [2,0,0,1,0,0|1,0,0]=4 1694 B10R2.6 C1=CC=C(C=C1)C2CO2 Z104486008 [2,0,0,1,0,0|0,0,0]=3 1695 B10R2.6 C1=CC=C(C=C1)[C@@H]2CO2 Z1255356265 [2,0,0,1,0,0|0,0,0]=3 1696 B10R2.6 C1=CC=C(C=C1)[C@H]2CO2 Z1255390768 [2,0,0,1,0,0|0,0,0]=3 1697 B10R2.6 C1=CN=C(C=C1)C2CO2 Z1187818707 [2,0,0,1,0,0|1,0,0]=4 1698 B10R2.7 C1=CC2=C(C=C1)CNC2 Z1263820391 [2,0,0,1,0,0|1,0,0]=4 1699 B10R2.7 C1=CC2=C(C=C1)COC2 Z839134770 [2,0,0,1,0,0|0,0,0]=3 1700 B10R2.7 C1=CC2=C(C=C1)NCC2 Z104475582 [2,0,0,1,0,0|1,0,0]=4 1701 B10R2.7 C1=CC2=C(C=C1)OCC2 Z104505448 [2,0,0,1,0,0|0,0,0]=3 1702 B10R2.7 C1=CC2=C(C=N1)CCO2 Z1681336163 [2,0,0,1,0,0|1,0,0]=4 1703 B10R2.320 NC1CC2=C1C=CC=C2 Z1918018858 [2,0,0,1,0,0|1,0,0]=4 1704 B12R2.290 CC1(CC1)C2=CC=C(C=C2)N Z3033960685 [1,1,0,1,0,0|1,0,0]=4 1705 B12R2.290 CC1(CO1)C2=CC=C(C=C2)F Z1020684130 [1,1,0,1,0,0|1,0,0]=4 1706 B12R2.290 CC1=CC=C(C=C1)C2(CO2)C Z1020684066 [1,1,0,1,0,0|1,0,0]=4 1707 B12R2.290 NC1(CC1)C2=CC=C(C=C2)Br Z600428582 [1,1,0,1,0,0|1,0,0]=4 1708 B12R2.290 NC1(CC1)C2=CC=C(C=C2)Cl Z381654482 [1,1,0,1,0,0|1,0,0]=4 1709 B12R2.290 NC1(CC1)C2=CC=C(C=C2)F Z381654558 [1,1,0,1,0,0|1,0,0]=4 1710 B12R2.290 NC1(CC1)C2=CC=C(C=C2)I Z2751942844 [1,1,0,1,0,0|1,0,0]=4 1711 B12R2.290 NC1(CC1)C2=CN=C(C=C2)O Z4521497699 [1,1,0,1,0,0|1,0,0]=4 1712 B12R2.612 CC1=CC2=C(C=C1)C(CC2)N Z802665938 [1,1,0,1,0,0|1,0,0]=4 1713 B12R2.612 CN1CCC2=C1C=CC(=C2)O Z2238129691 [1,1,0,1,0,0|1,0,0]=4 1714 B12R2.612 NC1=CC2=C(C=C1)C(CC2)N Z2526714445 [1,1,0,1,0,0|1,0,0]=4 1715 B12R2.612 NC1CCC2=C1C=CC(=C2)Br Z802671682 [1,1,0,1,0,0|1,0,0]=4 1716 B12R2.612 NC1CCC2=C1C=CC(=C2)Cl Z802665886 [1,1,0,1,0,0|1,0,0]=4 1717 B12R2.612 NC1CCC2=C1C=CC(=C2)F Z802671620 [1,1,0,1,0,0|1,0,0]=4 1718 B12R2.612 O=C1CCC2=C1C=CC(=C2)O Z1255457932 [1,1,0,1,0,0|0,0,1]=4 1719 B12R2.612 O=C1OCC2=C1C=CC(=C2)O Z1198162647 [1,1,0,1,0,0|0,0,1]=4 1720 B12R2.612 OC1CCC2=C1C=CC(=C2)Br Z756050350 [1,1,0,1,0,0|1,0,0]=4 1721 B12R2.612 OC1CCC2=C1C=CC(=C2)F Z1198318486 [1,1,0,1,0,0|1,0,0]=4 1722 B12R2.612 O[C@@H]1CCC2=C1C=CC(=C2)Br Z1269146008 [1,1,0,1,0,0|1,0,0]=4 1723 B12R2.612 O[C@@H]1CCC2=C1C=CC(=C2)Cl Z959151848 [1,1,0,1,0,0|1,0,0]=4 1724 B12R2.612 O[C@@H]1CCC2=C1C=CC(=C2)F Z959151860 [1,1,0,1,0,0|1,0,0]=4 1725 B12R2.612 O[C@H]1CCC2=C1C=CC(=C2)Cl Z959151850 [1,1,0,1,0,0|1,0,0]=4 1726 B12R2.612 O[C@H]1CCC2=C1C=CC(=C2)F Z959151856 [1,1,0,1,0,0|1,0,0]=4 1727 B12R2.246 CC1=C2CCCC2=CC(=N1)O Z4657503375 [1,1,0,1,0,0|1,0,0]=4 1728 B12R2.246 NC1=C2OCCC2=CC(=C1)Cl Z1695822064 [1,1,0,1,0,0|1,0,0]=4 1729 B12R2.246 OC1=CC(=C2OCCC2=C1)Br Z2733023909 [1,1,0,1,0,0|0,0,0]=3 1730 B12R2.246 OC1=CC(=C2OCOC2=C1)Cl Z2681245806 [1,1,0,1,0,0|1,0,0]=4 1731 B12R2.1317 CC1=C(C=CC(=C1)Br)C2CO2 Z2238811633 [1,1,0,1,0,0|1,0,0]=4 1732 B12R2.1317 CC1=C(C=CC(=C1)F)C2CO2 Z1020679774 [1,1,0,1,0,0|1,0,0]=4 1733 B12R2.1317 CC1=C(C=CC(=C1)N)C2CC2 Z992239704 [1,1,0,1,0,0|1,0,0]=4 1734 B12R2.1317 CC1=CC(=C(C=C1)C2CC2)N Z5779348196 [1,1,0,1,0,0|1,0,0]=4 1735 B12R2.1317 CC1=CC(=C(C=C1)C2CO2)C Z278165274 [1,1,0,1,0,0|1,0,0]=4 1736 B12R2.1317 ClC1=CC(=C(C=C1)C2CO2)Cl Z278165236 [1,1,0,1,0,0|1,0,0]=4 1737 B12R2.1317 FC1=CC(=C(C=C1)C2CO2)Cl Z1222418185 [1,1,0,1,0,0|1,0,0]=4 1738 B12R2.1317 FC1=CC(=C(C=C1)C2CO2)F Z278165286 [1,1,0,1,0,0|1,0,0]=4 1739 B12R2.1317 FC1=CC(=C(C=C1)[C@@H]2CO2)F Z1574937231 [1,1,0,1,0,0|1,0,0]=4 1740 B12R2.1317 FC1=CC(=C(C=C1)[C@H]2CO2)F Z1574937263 [1,1,0,1,0,0|1,0,0]=4 1741 B12R2.1317 NC1=C(C=CC(=C1)F)C2CC2 Z4738544941 [1,1,0,1,0,0|1,0,0]=4 1742 B12R2.9 CCC1=CC=C(C=C1)C2CO2 Z285186478 [1,1,0,1,0,0|1,0,0]=4 1743 B12R2.9 COC1=CC=C(C=C1)C2CO2 Z278165224 [1,1,0,1,0,0|0,0,0]=3 1744 B12R2.9 N#CC1=CC=C(C=C1)C2CO2 Z278165196 [1,1,0,1,0,0|1,0,0]=4 1745 B12R2.9 NCC1=CC=C(C=C1)C2CC2 Z992239712 [1,1,0,1,0,0|1,0,0]=4 1746 B12R2.9 O=CC1=CC=C(C=C1)C2CC2 Z992239772 [1,1,0,1,0,0|0,0,1]=4 1747 B12R2.291 CC1=C(C=C(C=C1)C2CO2)C Z285186472 [1,1,0,1,0,0|1,0,0]=4 1748 B12R2.291 ClC1=C(C=C(C=C1)[C@@H]2CO2)Cl Z1575341659 [1,1,0,1,0,0|1,0,0]=4 1749 B12R2.291 ClC1=C(C=C(C=C1)[C@H]2CO2)Cl Z1575341772 [1,1,0,1,0,0|1,0,0]=4 1750 B12R2.291 FC1=C(C=C(C=C1)C2CO2)Br Z1020680002 [1,1,0,1,0,0|1,0,0]=4 1751 B12R2.291 FC1=C(C=C(C=C1)C2CO2)Cl Z335438012 [1,1,0,1,0,0|1,0,0]=4 1752 B12R2.291 FC1=C(C=C(C=C1)C2CO2)F Z278165284 [1,1,0,1,0,0|1,0,0]=4 1753 B12R2.291 FC1=C(C=C(C=C1)[C@@H]2CO2)F Z1574937230 [1,1,0,1,0,0|1,0,0]=4 1754 B12R2.291 FC1=C(C=C(C=C1)[C@H]2CO2)F Z1574937262 [1,1,0,1,0,0|1,0,0]=4 1755 B12R2.291 FC1=C(C=CC(=C1)C2CO2)Br Z1450935318 [1,1,0,1,0,0|1,0,0]=4 1756 B12R2.291 FC1=C(C=CC(=C1)C2CO2)Cl Z1020679832 [1,1,0,1,0,0|1,0,0]=4 1757 B12R2.291 NC1=C(C=C(C=C1)C2CC2)F Z2738366539 [1,1,0,1,0,0|1,0,0]=4 1758 B12R2.291 NC1=C(C=C(C=C1)C2CC2)N Z1203652960 [1,1,0,1,0,0|1,0,0]=4 1759 B12R2.291 NC1=C(C=CC(=C1)C2CC2)Cl Z1037551094 [1,1,0,1,0,0|1,0,0]=4 1760 B12R2.291 NC1=C(C=CC(=C1)C2CC2)F Z4777520691 [1,1,0,1,0,0|1,0,0]=4 1761 B12R2.291 OC1=C(C=C(C=C1)C2CC2)Cl Z1575344265 [1,1,0,1,0,0|0,0,0]=3 1762 B12R2.2 C1=CC=C(C=C1)C2CCCN2 Z223138744 [1,1,0,1,0,0|1,0,0]=4 1763 B12R2.2 C1=CC=C(C=C1)C2CCNC2 Z926900322 [1,1,0,1,0,0|1,0,0]=4 1764 B12R2.116 OC1(CCC1)C2=CC=CC=C2 Z1198315122 [1,1,0,1,0,0|1,0,0]=4 1765 B12R2.2028 CC1CC(C2=C1C=CC=C2)N Z1263529672 [1,1,0,1,0,0|1,0,0]=4 1766 B12R2.2028 CC1OB(C2=C1C=CC=C2)O Z1939448686 [1,1,0,1,0,0|1,0,0]=4 1767 B12R2.2028 C[C@@H]1N[C@H](C2=C1C=CC=C2)C Z3675010941 [1,1,0,1,0,0|1,0,0]=4 1768 B12R2.2028 C[C@@H]1OB(C2=C1C=CC=C2)O Z5065219956 [1,1,0,1,0,0|1,0,0]=4 1769 B12R2.2028 C[C@H]1OB(C2=C1C=CC=C2)O Z5777881779 [1,1,0,1,0,0|1,0,0]=4 1770 B12R2.2075 NC(C1=CC=CC=C1)C2CC2 Z203239488 [1,1,0,1,0,0|1,0,0]=4 1771 B12R2.80 C[C@@H]1O[C@H]1C2=CC(=CC=C2)Cl Z2525216417 [1,1,0,1,0,0|0,0,0]=3 1772 B12R2.2313 FC1=CC(=CC=C1)C2CCN2 Z1696844460 [1,1,0,1,0,0|1,0,0]=4 1773 B12R2.2313 NC1=CC(=CC=C1)C2CCC2 Z1486032780 [1,1,0,1,0,0|1,0,0]=4 1774 B12R3.12 C1=CC2=C(C=C1)C3OC3C2 Z278165226 [1,0,0,2,0,0|0,0,0]=3 1775 B14R2.68 BrC1=CC=C(C=C1)C2CCOCC2 Z1269210184 [0,2,0,1,0,0|1,0,0]=4 1776 B14R2.68 BrC1=CC=C(C=C1)C2CNCCO2 Z397586786 [0,2,0,1,0,0|1,0,0]=4 1777 B14R2.68 BrC1=CC=C(C=C1)C2COCCN2 Z2514855011 [0,2,0,1,0,0|1,0,0]=4 1778 B14R2.68 BrC1=CC=C(C=C1)C2OCCCO2 Z1269189023 [0,2,0,1,0,0|1,0,0]=4 1779 B14R2.68 CC1=CC=C(C=C1)C2COCCN2 Z3244744194 [0,2,0,1,0,0|1,0,0]=4 1780 B14R2.68 ClC1=CC=C(C=C1)C2CNCCO2 Z234894847 [0,2,0,1,0,0|1,0,0]=4 1781 B14R2.68 FC1=CC=C(C=C1)C2CNCCO2 Z299600002 [0,2,0,1,0,0|1,0,0]=4 1782 B14R2.68 FC1=CC=C(C=C1)N2CCOCC2 Z1198182900 [0,2,0,1,0,0|1,0,0]=4 1783 B14R2.68 NC1=CC=C(C=C1)C2CNCCO2 Z1278927036 [0,2,0,1,0,0|1,0,0]=4 1784 B14R2.68 NC1=CC=C(C=C1)C2COCCO2 Z4052749825 [0,2,0,1,0,0|1,0,0]=4 1785 B14R2.68 NC1=CC=C(C=C1)N2CCOCC2 Z56899028 [0,2,0,1,0,0|1,0,0]=4 1786 B14R2.68 OC1=CC=C(C=C1)C2=CCNCC2 Z164708534 [0,2,0,1,0,0|1,0,0]=4 1787 B14R2.68 OC1=CC=C(C=C1)C2CCCCC2 Z104493638 [0,2,0,1,0,0|1,0,0]=4 1788 B14R2.68 OC1=CC=C(C=C1)C2CCCCN2 Z2733007684 [0,2,0,1,0,0|1,0,0]=4 1789 B14R2.68 OC1=CC=C(C=C1)C2CCCNC2 Z3327154941 [0,2,0,1,0,0|1,0,0]=4 1790 B14R2.68 OC1=CC=C(C=C1)C2CCOCC2 Z1486003449 [0,2,0,1,0,0|0,0,0]=3 1791 B14R2.68 OC1=CC=C(C=C1)C2CNCCN2 Z2754867746 [0,2,0,1,0,0|1,0,0]=4 1792 B14R2.68 OC1=CC=C(C=C1)C2SCCCS2 Z839133394 [0,2,0,1,0,0|0,1,0]=4 1793 B14R2.68 OC1=CC=C(C=C1)N2CCNCC2 Z56899148 [0,2,0,1,0,0|1,0,0]=4 1794 B14R2.72 CC1=CC=C(C=C1)NC2CCOC2 Z4307810225 [0,2,0,1,0,0|1,0,0]=4 1795 B14R2.72 NC1=CC=C(C=C1)OC2CCOC2 Z1138838331 [0,2,0,1,0,0|1,0,0]=4 1796 B14R2.72 OC1=CC=C(C=C1)CC2CCNC2 Z4186254010 [0,2,0,1,0,0|1,0,0]=4 1797 B14R2.72 OC1=CC=C(C=C1)OC2CCCC2 Z381414686 [0,2,0,1,0,0|1,0,0]=4 1798 B14R2.926 N[C@@H]1CCO[C@H]1C2=CC=C(C=C2)Cl Z2690084388 [0,2,0,1,0,0|1,0,0]=4 1799 B14R2.926 O=C1OCCN1C2=CC=C(C=C2)O Z367679170 [0,2,0,1,0,0|0,0,1]=4 1800 B14R2.951 ClC1=CC=C(C=C1)COCC2CO2 Z56346892 [0,2,0,1,0,0|1,0,0]=4 1801 B14R2.951 OC1=CC=C(C=C1)CNCC2CC2 Z234895447 [0,2,0,1,0,0|1,0,0]=4 1802 B14R2.5637 O=C1CCCCC2=C1C=C(C=C2)O Z1513599562 [0,2,0,1,0,0|1,0,0]=4 1803 B14R2.20 O=C1COC(C1)C2=CC=C(C=C2)Br Z2489377578 [0,2,0,1,0,0|1,0,0]=4 1804 B14R2.933 CC(NC1CC1)C2=CC=C(C=C2)O Z239624718 [0,2,0,1,0,0|1,0,0]=4 1805 B14R2.4687 OC1=CC(=C(C=C1)OCC2CC2)Cl Z1255421978 [0,2,0,1,0,0|1,0,0]=4 1806 B14R2.1 COC1=CC=C(C=C1)C2CCNC2 Z940902820 [0,2,0,1,0,0|1,0,0]=4 1807 B14R2.1 COC1=CC=C(C=C1)N2CCCC2 Z1198154201 [0,2,0,1,0,0|1,0,0]=4 1808 B14R2.1 N#CC1=CC=C(C=C1)C2OCCO2 Z1255431165 [0,2,0,1,0,0|1,0,0]=4 1809 B14R2.1 O=CC1=CC=C(C=C1)C2OCCO2 Z1198161657 [0,2,0,1,0,0|0,0,1]=4 1810 B14R2.1 OCC1=CC=C(C=C1)C2CCCC2 Z1255426404 [0,2,0,1,0,0|1,0,0]=4 1811 B14R2.1 OCC1=CC=C(C=C1)N2CCCC2 Z111479850 [0,2,0,1,0,0|1,0,0]=4 1812 B14R2.142 COC1=CC2=C(C=C1)CCCC2N Z1331054615 [0,2,0,1,0,0|1,0,0]=4 1813 B14R2.142 COC1=CC2=C(C=C1)CCC[C@@H]2N Z1492796833 [0,2,0,1,0,0|1,0,0]=4 1814 B14R2.142 COC1=CC2=C(C=C1)CCC[C@H]2N Z1483972113 [0,2,0,1,0,0|1,0,0]=4 1815 B14R2.328 COC1=CC=C(C=C1)CNC2CC2 Z86138857 [0,2,0,1,0,0|1,0,0]=4 1816 B14R2.328 OCC1=CC=C(C=C1)OCC2CC2 Z362022596 [0,2,0,1,0,0|1,0,0]=4 1817 B14R2.331 COC1=CC=C(C=C1)CC2CCN2 Z1413805528 [0,2,0,1,0,0|1,0,0]=4 1818 B14R2.331 COC1=CC=C(C=C1)CC2CNC2 Z490826686 [0,2,0,1,0,0|1,0,0]=4 1819 B14R2.2400 COC1=CC2=C(C=C1)CCCCN2 Z1255490319 [0,2,0,1,0,0|1,0,0]=4 1820 B14R2.2400 COC1=CC2=C(C=C1)CCNCC2 Z425387736 [0,2,0,1,0,0|1,0,0]=4 1821 B14R2.2400 COC1=CC2=C(C=C1)CNCCC2 Z1263602462 [0,2,0,1,0,0|1,0,0]=4 1822 B14R2.2400 COC1=CC2=C(C=C1)NCCCC2 Z1255490316 [0,2,0,1,0,0|1,0,0]=4 1823 B14R2.4536 CC1(CCSC2=C1C=C(C=C2)O)C Z1513902728 [0,2,0,1,0,0|1,0,0]=4 1824 B14R2.70 CC1=C(C=CC(=C1)N2CCCC2)O Z4461282194 [0,2,0,1,0,0|1,0,0]=4 1825 B14R2.70 OC1=C(C=C(C=C1)C2CCNC2)O Z4870574930 [0,2,0,1,0,0|1,0,0]=4 1826 B14R2.5708 CC1=C2OCCNCC2=CC=C1O Z5340323838 [0,2,0,1,0,0|1,0,0]=4 1827 B14R2.28472 CC1NCCC2=C1C=C(C(=C2)O)O Z235344915 [0,2,0,1,0,0|1,0,0]=4 1828 B14R2.29365 CC1CC2=C(C=CC(=C2)O)C(N1)C Z3670378254 [0,2,0,1,0,0|1,0,0]=4 1829 B14R2.27 COC1=CC=C(C=C1)[C@H]2C[C@H](C2)N Z3377758868 [0,2,0,1,0,0|1,0,0]=4 1830 B14R2.329 COC1=CC=C(C=C1)C(N)C2CC2 Z169852196 [0,2,0,1,0,0|1,0,0]=4 1831 B14R2.1801 COC1=CC2=C(C=C1)C(CCC2)N Z285186056 [0,2,0,1,0,0|1,0,0]=4 1832 B14R2.1801 COC1=CC2=C(C=C1)C(CCC2)O Z228586232 [0,2,0,1,0,0|1,0,0]=4 1833 B14R2.1801 COC1=CC2=C(C=C1)C(NCC2)C Z3018393762 [0,2,0,1,0,0|1,0,0]=4 1834 B14R2.8239 CN1CCC2=C(C1)C=C(C(=C2)O)F Z3399257120 [0,2,0,1,0,0|1,0,0]=4 1835 B14R2.4491 CC1(CCC2=C(O1)C=C(C=C2)O)C Z839129166 [0,2,0,1,0,0|1,0,0]=4 1836 B14R2.2332 CCC1CCC2=C(C1)C=CC(=C2)O Z1513908433 [0,2,0,1,0,0|1,0,0]=4 1837 B14R2.2332 COC1=CC2=C(C=C1)CC(CC2)O Z1198164344 [0,2,0,1,0,0|1,0,0]=4 1838 B14R2.1019 COC1=CC2=C(CNCC2)C(=C1)Br Z3244744534 [0,2,0,1,0,0|1,0,0]=4 1839 B14R2.781 C[C@@H](O)C1=CC2=C(C=C1)CCCC2 Z360056112 [0,2,0,1,0,0|1,0,0]=4 1840 B14R2.781 C[C@H](O)C1=CC2=C(C=C1)CCCC2 Z360056108 [0,2,0,1,0,0|1,0,0]=4 1841 B14R2.781 O=C(O)C1=CC2=C(C=C1)CCCC2 Z90124426 [0,2,0,1,0,0|1,0,0]=4 1842 B14R2.781 O=C(O)C1=CC2=C(C=C1)CNCC2 Z2471610531 [0,2,0,1,0,0|1,0,0]=4 1843 B14R2.781 O=C(O)C1=CC2=C(C=C1)COCC2 Z1255506122 [0,2,0,1,0,0|0,0,0]=3 1844 B14R2.781 O=C(O)C1=CC2=C(COCC2)N=C1 Z3242004730 [0,2,0,1,0,0|1,0,0]=4 1845 B14R2.781 O=C(O)C1=NC=C2COCCC2=C1 Z4254605585 [0,2,0,1,0,0|1,0,0]=4 1846 B14R2.781 OB(O)C1=CC2=C(C=C1)CCCC2 Z381541062 [0,2,0,1,0,0|1,0,0]=4 1847 B14R2.9474 O=C(O)C1=CC=C(C=C1)CC2CC2 Z1262559215 [0,2,0,1,0,0|1,0,0]=4 1848 B14R2.9474 OB(O)C1=CC=C(C=C1)CC2CC2 Z2049943797 [0,2,0,1,0,0|1,0,0]=4 1849 B14R2.9475 O=C(O)C1=CC=C(C=C1)C2CCC2 Z1251414965 [0,2,0,1,0,0|1,0,0]=4 1850 B14R2.9475 OB(O)C1=CC=C(C=C1)C2CCC2 Z1255432433 [0,2,0,1,0,0|1,0,0]=4 1851 B14R2.112 CCOC1=CC2=C(C=C1)CNCC2 Z1224524462 [0,2,0,1,0,0|1,0,0]=4 1852 B14R2.991 CCNCC1=CC2=C(C=C1)OCO2 Z57327177 [0,2,0,1,0,0|1,0,0]=4 1853 B14R2.92 COC1=C(C2=C(C=C1)CCCC2)O Z1322794124 [0,2,0,1,0,0|1,0,0]=4 1854 B14R2.92 COC1=C(C2=C(C=C1)CNCC2)Br Z2750692739 [0,2,0,1,0,0|1,0,0]=4 1855 B14R2.1128 COC1=C(C=C2CCCCC2=C1)O Z3241899355 [0,2,0,1,0,0|1,0,0]=4 1856 B14R2.1128 COC1=C(C=C2CNCCC2=C1)Br Z1416170073 [0,2,0,1,0,0|1,0,0]=4 1857 B14R2.1128 COC1=C(C=C2CNCCC2=C1)C Z3067540653 [0,2,0,1,0,0|1,0,0]=4 1858 B14R2.1128 O=CC1=C(C=C2CCCCC2=C1)O Z1511747568 [0,2,0,1,0,0|1,0,0]=4 1859 B14R2.203 NCC1=C2CCCCC2=CC=C1O Z1262253043 [0,2,0,1,0,0|1,0,0]=4