0 B11R1.1 BrCCOC1=CC=C(C=C1)Br Z56887702 [0,0,0,0,0,0|1,1,0]=2 1 B11R1.1 C#CCNC1=CC=C(C=C1)C Z266486858 [0,0,0,0,0,0|3,0,1]=4 2 B11R1.1 C#CCNC1=CC=C(C=C1)Cl Z3210379676 [0,0,0,0,0,0|2,0,1]=3 3 B11R1.1 C#CCNC1=CC=C(C=C1)F Z3210380008 [0,0,0,0,0,0|2,1,1]=4 4 B11R1.1 C#CCOC1=CC=C(C=C1)Br Z54475590 [0,0,0,0,0,0|1,1,1]=3 5 B11R1.1 C#CCOC1=CC=C(C=C1)C Z54775509 [0,0,0,0,0,0|2,0,1]=3 6 B11R1.1 C#CCOC1=CC=C(C=C1)Cl Z54472184 [0,0,0,0,0,0|1,0,1]=2 7 B11R1.1 C#CCOC1=CC=C(C=C1)F Z54473259 [0,0,0,0,0,0|1,1,1]=3 8 B11R1.1 C#CCOC1=CC=C(C=C1)N Z730512948 [0,0,0,0,0,0|2,0,1]=3 9 B11R1.1 C=CCOC1=CC=C(C=C1)O Z381414818 [0,0,0,0,0,0|2,0,1]=3 10 B11R1.1 CC1=CC=C(C=C1)CCCN Z4639316723 [0,0,0,0,0,0|3,0,0]=3 11 B11R1.1 CC1=CC=C(C=C1)NCC#N Z56855172 [0,0,0,0,0,0|3,0,1]=4 12 B11R1.1 CC1=CC=C(C=C1)OCCBr Z56886357 [0,0,0,0,0,0|2,0,0]=2 13 B11R1.1 CC1=CC=C(C=C1)OCCN Z54747869 [0,0,0,0,0,0|2,0,0]=2 14 B11R1.1 CC1=CC=C(C=C1)SCC#N Z54591058 [0,0,0,0,0,0|2,1,1]=4 15 B11R1.1 CC1=CC=C(C=C1)SCCCl Z90122598 [0,0,0,0,0,0|2,1,0]=3 16 B11R1.1 CC1=CC=C(C=C1)SCCO Z149178580 [0,0,0,0,0,0|1,1,0]=2 17 B11R1.1 CC1=CN=C(C=C1)NCCN Z1695797833 [0,0,0,0,0,0|4,0,0]=4 18 B11R1.1 CCCCC1=CC=C(C=C1)N Z104475500 [0,0,0,0,0,0|3,0,0]=3 19 B11R1.1 CCCNC1=CC=C(C=C1)Cl Z1266933829 [0,0,0,0,0,0|2,0,0]=2 20 B11R1.1 CCCOC1=CC=C(C=C1)N Z239604724 [0,0,0,0,0,0|2,0,0]=2 21 B11R1.1 CCNCC1=CC=C(C=C1)F Z3244655509 [0,0,0,0,0,0|3,1,0]=4 22 B11R1.1 CCOCC1=CC=C(C=C1)Br Z823854370 [0,0,0,0,0,0|3,1,0]=4 23 B11R1.1 CCOCC1=CC=C(C=C1)N Z240084570 [0,0,0,0,0,0|4,0,0]=4 24 B11R1.1 CCSCC1=CC=C(C=C1)N Z332378208 [0,0,0,0,0,0|4,0,0]=4 25 B11R1.1 CNCCC1=CC=C(C=C1)Br Z385447024 [0,0,0,0,0,0|3,1,0]=4 26 B11R1.1 CNCCC1=CC=C(C=C1)C Z5115849578 [0,0,0,0,0,0|4,0,0]=4 27 B11R1.1 CNCCC1=CC=C(C=C1)Cl Z1623872266 [0,0,0,0,0,0|3,0,0]=3 28 B11R1.1 CNCCC1=CC=C(C=C1)F Z138454998 [0,0,0,0,0,0|3,1,0]=4 29 B11R1.1 COCCC1=CC=C(C=C1)Br Z299596190 [0,0,0,0,0,0|3,1,0]=4 30 B11R1.1 COCCC1=CC=C(C=C1)Cl Z1470894103 [0,0,0,0,0,0|3,0,0]=3 31 B11R1.1 COCCC1=CC=C(C=C1)O Z104485614 [0,0,0,0,0,0|4,0,0]=4 32 B11R1.1 COCOC1=CC=C(C=C1)N Z1259226853 [0,0,0,0,0,0|3,0,0]=3 33 B11R1.1 CSCCC1=CC=C(C=C1)N Z732207426 [0,0,0,0,0,0|4,0,0]=4 34 B11R1.1 ClC1=CC=C(C=C1)OCCBr Z56926557 [0,0,0,0,0,0|1,0,0]=1 35 B11R1.1 ClCCSC1=CC=C(C=C1)Cl Z55993025 [0,0,0,0,0,0|1,1,0]=2 36 B11R1.1 FCCOC1=CC=C(C=C1)Br Z1269166672 [0,0,0,0,0,0|1,1,0]=2 37 B11R1.1 N#C/C=C/C1=CC=C(C=C1)Cl Z57640817 [0,0,0,0,0,0|2,0,2]=4 38 B11R1.1 N#CCCC1=CC=C(C=C1)N Z4750298565 [0,0,0,0,0,0|3,0,1]=4 39 B11R1.1 N#CCNC1=CC=C(C=C1)Br Z266466556 [0,0,0,0,0,0|2,1,1]=4 40 B11R1.1 N#CCOC1=CC=C(C=C1)Cl Z54608574 [0,0,0,0,0,0|1,0,1]=2 41 B11R1.1 N#CCOC1=CC=C(C=C1)F Z53791434 [0,0,0,0,0,0|1,1,1]=3 42 B11R1.1 N#CCOC1=CC=C(C=C1)N Z57052858 [0,0,0,0,0,0|2,0,1]=3 43 B11R1.1 N#CCSC1=CC=C(C=C1)Br Z18744575 [0,0,0,0,0,0|1,2,1]=4 44 B11R1.1 N#CCSC1=CC=C(C=C1)Cl Z19728982 [0,0,0,0,0,0|1,1,1]=3 45 B11R1.1 N#CCSC1=CC=C(C=C1)F Z16034822 [0,0,0,0,0,0|1,2,1]=4 46 B11R1.1 NC/C=C/C1=CC=C(C=C1)Br Z2235681463 [0,0,0,0,0,0|2,1,1]=4 47 B11R1.1 NC1=CC=C(C=C1)OCCF Z1262631146 [0,0,0,0,0,0|2,0,0]=2 48 B11R1.1 NC1=CC=C(C=C1)OCCO Z332379386 [0,0,0,0,0,0|1,0,0]=1 49 B11R1.1 NCC#CC1=CC=C(C=C1)I Z4775597113 [0,0,0,0,0,0|2,1,1]=4 50 B11R1.1 NCCCC1=CC=C(C=C1)Br Z3980240042 [0,0,0,0,0,0|2,1,0]=3 51 B11R1.1 NCCCC1=CC=C(C=C1)Cl Z992716848 [0,0,0,0,0,0|2,0,0]=2 52 B11R1.1 NCCCC1=CC=C(C=C1)F Z3244753845 [0,0,0,0,0,0|2,1,0]=3 53 B11R1.1 NCCCC1=CC=C(C=C1)N Z5453008768 [0,0,0,0,0,0|3,0,0]=3 54 B11R1.1 NCCCC1=CC=C(C=C1)O Z1270210797 [0,0,0,0,0,0|3,0,0]=3 55 B11R1.1 NCCNC1=CC=C(C=C1)O Z3386315806 [0,0,0,0,0,0|3,0,0]=3 56 B11R1.1 NCCOC1=CC=C(C=C1)Br Z1262237188 [0,0,0,0,0,0|1,1,0]=2 57 B11R1.1 NCCOC1=CC=C(C=C1)Cl Z85957193 [0,0,0,0,0,0|1,0,0]=1 58 B11R1.1 NCCOC1=CC=C(C=C1)F Z87000937 [0,0,0,0,0,0|1,1,0]=2 59 B11R1.1 NCCOC1=CC=C(C=C1)I Z381428104 [0,0,0,0,0,0|1,1,0]=2 60 B11R1.1 NCCOC1=NC=C(C=C1)Cl Z1421528823 [0,0,0,0,0,0|2,0,0]=2 61 B11R1.1 NCCSC1=CC=C(C=C1)Br Z262221984 [0,0,0,0,0,0|1,2,0]=3 62 B11R1.1 NCCSC1=CC=C(C=C1)Cl Z54751093 [0,0,0,0,0,0|1,1,0]=2 63 B11R1.1 NCCSC1=CC=C(C=C1)F Z1267773811 [0,0,0,0,0,0|1,2,0]=3 64 B11R1.1 O=C/C=C/C1=CC=C(C=C1)Cl Z2242062296 [0,0,0,0,0,0|1,0,3]=4 65 B11R1.1 O=CCCC1=CC=C(C=C1)Br Z993017756 [0,0,0,0,0,0|1,1,2]=4 66 B11R1.1 O=CCCC1=CC=C(C=C1)Cl Z993017742 [0,0,0,0,0,0|1,0,2]=3 67 B11R1.1 O=CCCC1=CC=C(C=C1)F Z993017748 [0,0,0,0,0,0|1,1,2]=4 68 B11R1.1 O=CCOC1=CC=C(C=C1)F Z854102568 [0,0,0,0,0,0|0,1,2]=3 69 B11R1.1 O=CCSC1=CC=C(C=C1)F Z854102782 [0,0,0,0,0,0|0,2,2]=4 70 B11R1.1 OC/C=C/C1=CC=C(C=C1)O Z2235811101 [0,0,0,0,0,0|2,0,1]=3 71 B11R1.1 OCC#CC1=CC=C(C=C1)Cl Z540350074 [0,0,0,0,0,0|1,0,1]=2 72 B11R1.1 OCC#CC1=NC=C(C=C1)Br Z1416179292 [0,0,0,0,0,0|2,1,1]=4 73 B11R1.1 OCCCC1=CC=C(C=C1)F Z992949550 [0,0,0,0,0,0|1,1,0]=2 74 B11R1.1 OCCNC1=CC=C(C=C1)Br Z335275406 [0,0,0,0,0,0|1,1,0]=2 75 B11R1.1 OCCNC1=NC=C(C=C1)I Z1269164771 [0,0,0,0,0,0|2,1,0]=3 76 B11R1.1 OCCNC1=NN=C(C=C1)Cl Z359301940 [0,0,0,0,0,0|3,0,0]=3 77 B11R1.1 OCCOC1=CC=C(C=C1)Br Z335092354 [0,0,0,0,0,0|0,1,0]=1 78 B11R1.1 OCCOC1=CC=C(C=C1)O Z381414946 [0,0,0,0,0,0|1,0,0]=1 79 B11R1.1 OCCOC1=NC=C(C=C1)Br Z808609020 [0,0,0,0,0,0|1,1,0]=2 80 B11R1.1 OCCSC1=CC=C(C=C1)Br Z149190682 [0,0,0,0,0,0|0,2,0]=2 81 B11R1.1 OCCSC1=CC=C(C=C1)Cl Z149162370 [0,0,0,0,0,0|0,1,0]=1 82 B10R1.1 CC1=CC=C(C=C1)/C=N/O Z49568558 [1,0,0,0,0,0|2,0,1]=4 83 B10R1.1 CC1=CC=C(C=C1)CC#N Z285131444 [1,0,0,0,0,0|2,0,1]=4 84 B10R1.1 CC1=CC=C(C=C1)CC=O Z993017610 [1,0,0,0,0,0|1,0,2]=4 85 B10R1.1 CC1=CC=C(C=C1)CCN Z1268153218 [1,0,0,0,0,0|2,0,0]=3 86 B10R1.1 CC1=CC=C(C=C1)CCO Z397587076 [1,0,0,0,0,0|1,0,0]=2 87 B10R1.1 CC1=NC=C(C=C1)CCN Z600584220 [1,0,0,0,0,0|3,0,0]=4 88 B10R1.1 CC1=NC=C(N=C1)CCO Z1504684184 [1,0,0,0,0,0|3,0,0]=4 89 B10R1.1 CCCC1=CC=C(C=C1)Br Z299596168 [1,0,0,0,0,0|1,1,0]=3 90 B10R1.1 CCCC1=CC=C(C=C1)N Z104492166 [1,0,0,0,0,0|2,0,0]=3 91 B10R1.1 CCNC1=CC=C(C=C1)Br Z286365048 [1,0,0,0,0,0|1,1,0]=3 92 B10R1.1 CCNC1=CC=C(C=C1)Cl Z2902298062 [1,0,0,0,0,0|1,0,0]=2 93 B10R1.1 CCNC1=CC=C(C=C1)F Z89270849 [1,0,0,0,0,0|1,1,0]=3 94 B10R1.1 CCNC1=CC=C(C=C1)N Z359511474 [1,0,0,0,0,0|2,0,0]=3 95 B10R1.1 CCNC1=CC=C(C=C1)O Z1823256830 [1,0,0,0,0,0|2,0,0]=3 96 B10R1.1 CCNC1=CNC(=O)C=C1 Z5871830340 [1,0,0,0,0,0|3,0,0]=4 97 B10R1.1 CCNC1=NC=C(C=C1)Br Z359297778 [1,0,0,0,0,0|2,1,0]=4 98 B10R1.1 CCNC1=NC=C(C=C1)I Z2233927789 [1,0,0,0,0,0|2,1,0]=4 99 B10R1.1 CCOC1=CC=C(C=C1)C Z53834228 [1,0,0,0,0,0|1,0,0]=2 100 B10R1.1 CCOC1=CC=C(C=C1)N Z57127438 [1,0,0,0,0,0|1,0,0]=2 101 B10R1.1 CCOC1=CC=C(C=C1)S Z166646982 [1,0,0,0,0,0|1,0,0]=2 102 B10R1.1 CCOC1=NC=C(C=C1)N Z240084310 [1,0,0,0,0,0|2,0,0]=3 103 B10R1.1 CCOC1=NC=C(C=N1)Cl Z1222423631 [1,0,0,0,0,0|2,0,0]=3 104 B10R1.1 CCOC1=NN=C(C=C1)Cl Z291235530 [1,0,0,0,0,0|2,0,0]=3 105 B10R1.1 CCSC1=NC=C(C=C1)Br Z742922262 [1,0,0,0,0,0|1,2,0]=4 106 B10R1.1 CCSC1=NC=C(C=C1)N Z332377604 [1,0,0,0,0,0|2,1,0]=4 107 B10R1.1 CNCC1=CC=C(C=C1)Br Z56175269 [1,0,0,0,0,0|2,1,0]=4 108 B10R1.1 CNCC1=CC=C(C=C1)C Z56944115 [1,0,0,0,0,0|3,0,0]=4 109 B10R1.1 CNCC1=CC=C(C=C1)Cl Z56956070 [1,0,0,0,0,0|2,0,0]=3 110 B10R1.1 CNCC1=CC=C(C=C1)F Z56963340 [1,0,0,0,0,0|2,1,0]=4 111 B10R1.1 CNCC1=CC=C(C=C1)I Z4242747560 [1,0,0,0,0,0|2,1,0]=4 112 B10R1.1 CNCC1=CN=C(C=C1)Cl Z265498862 [1,0,0,0,0,0|3,0,0]=4 113 B10R1.1 COCC1=CC=C(C=C1)N Z240084568 [1,0,0,0,0,0|3,0,0]=4 114 B10R1.1 CSCC1=CC=C(C=C1)Br Z19854469 [1,0,0,0,0,0|2,1,0]=4 115 B10R1.1 CSCC1=CC=C(C=C1)N Z732207336 [1,0,0,0,0,0|3,0,0]=4 116 B10R1.1 CSCC1=CN=C(C=C1)Cl Z732206922 [1,0,0,0,0,0|3,0,0]=4 117 B10R1.1 N#CCC1=CC=C(C=C1)F Z89283961 [1,0,0,0,0,0|1,1,1]=4 118 B10R1.1 N#CCC1=CC=C(C=C1)N Z90122117 [1,0,0,0,0,0|2,0,1]=4 119 B10R1.1 N#CCC1=CC=C(C=C1)O Z90120144 [1,0,0,0,0,0|2,0,1]=4 120 B10R1.1 NC1=CC=C(C=C1)CCO Z276600190 [1,0,0,0,0,0|1,0,0]=2 121 B10R1.1 NC1=CN=C(C=C1)CCO Z1898597735 [1,0,0,0,0,0|2,0,0]=3 122 B10R1.1 NCCC1=CC=C(C=C1)Br Z285143750 [1,0,0,0,0,0|1,1,0]=3 123 B10R1.1 NCCC1=CC=C(C=C1)Cl Z57051065 [1,0,0,0,0,0|1,0,0]=2 124 B10R1.1 NCCC1=CC=C(C=C1)F Z90122126 [1,0,0,0,0,0|1,1,0]=3 125 B10R1.1 NCCC1=CC=C(C=C1)I Z2515133713 [1,0,0,0,0,0|1,1,0]=3 126 B10R1.1 NCCC1=CC=C(C=C1)O Z744729058 [1,0,0,0,0,0|2,0,0]=3 127 B10R1.1 NCCC1=CN=C(C=C1)Cl Z1198178633 [1,0,0,0,0,0|2,0,0]=3 128 B10R1.1 NCCC1=NC=C(C=C1)F Z2238508662 [1,0,0,0,0,0|2,1,0]=4 129 B10R1.1 NCCC1=NC=C(C=C1)O Z2350909287 [1,0,0,0,0,0|3,0,0]=4 130 B10R1.1 NOCC1=CC=C(C=C1)Cl Z1198164677 [1,0,0,0,0,0|2,0,0]=3 131 B10R1.1 O/N=C/C1=CC=C(C=C1)Br Z49568330 [1,0,0,0,0,0|1,1,1]=4 132 B10R1.1 O/N=C/C1=CC=C(C=C1)Cl Z49568332 [1,0,0,0,0,0|1,0,1]=3 133 B10R1.1 O/N=C/C1=CC=C(C=C1)F Z49568341 [1,0,0,0,0,0|1,1,1]=4 134 B10R1.1 O/N=C/C1=CC=C(C=C1)O Z49568314 [1,0,0,0,0,0|2,0,1]=4 135 B10R1.1 O=C1N=CC(=CN1)CCO Z2096659590 [1,0,0,0,0,0|3,0,0]=4 136 B10R1.1 O=C=NC1=CC=C(C=C1)Cl Z104472166 [1,0,0,0,0,0|1,0,2]=4 137 B10R1.1 O=CCC1=CC=C(C=C1)Br Z1079442512 [1,0,0,0,0,0|0,1,2]=4 138 B10R1.1 O=CCC1=CC=C(C=C1)Cl Z993017718 [1,0,0,0,0,0|0,0,2]=3 139 B10R1.1 O=CCC1=CC=C(C=C1)F Z993017752 [1,0,0,0,0,0|0,1,2]=4 140 B10R1.1 OCCC1=CC=C(C=C1)Br Z397587340 [1,0,0,0,0,0|0,1,0]=2 141 B10R1.1 OCCC1=CC=C(C=C1)F Z397587326 [1,0,0,0,0,0|0,1,0]=2 142 B10R1.1 OCCC1=CC=C(C=C1)O Z1250886919 [1,0,0,0,0,0|1,0,0]=2 143 B10R1.17 BrCCOC1=CC=CC=C1 Z56950513 [1,0,0,0,0,0|1,0,0]=2 144 B10R1.17 CCCCC1=CC=CC=C1 Z104492496 [1,0,0,0,0,0|2,0,0]=3 145 B10R1.17 CCCNC1=CN=CC=C1 Z334882412 [1,0,0,0,0,0|3,0,0]=4 146 B10R1.17 CCCOC1=NC=CN=C1 Z2182020100 [1,0,0,0,0,0|3,0,0]=4 147 B10R1.17 CCNCC1=CC=CC=C1 Z57327176 [1,0,0,0,0,0|3,0,0]=4 148 B10R1.17 CNCCC1=CC=CC=C1 Z445226260 [1,0,0,0,0,0|3,0,0]=4 149 B10R1.17 COCCC1=CC=CC=C1 Z104494216 [1,0,0,0,0,0|3,0,0]=4 150 B10R1.17 N#CCCC1=CC=CC=C1 Z104507980 [1,0,0,0,0,0|2,0,1]=4 151 B10R1.17 N#CCNC1=CC=CC=C1 Z56347332 [1,0,0,0,0,0|2,0,1]=4 152 B10R1.17 N#CCOC1=CC=CC=C1 Z53792061 [1,0,0,0,0,0|1,0,1]=3 153 B10R1.17 N#CCSC1=CC=CC=C1 Z19751391 [1,0,0,0,0,0|1,1,1]=4 154 B10R1.17 NC/C=C/C1=CC=CC=C1 Z2953771905 [1,0,0,0,0,0|2,0,1]=4 155 B10R1.17 NCC#CC1=CC=CC=C1 Z227964210 [1,0,0,0,0,0|2,0,1]=4 156 B10R1.17 NCCCC1=CC=CC=C1 Z104478312 [1,0,0,0,0,0|2,0,0]=3 157 B10R1.17 NCCCC1=CN=CC=C1 Z3058301115 [1,0,0,0,0,0|3,0,0]=4 158 B10R1.17 NCCCC1=NC=CC=C1 Z600381818 [1,0,0,0,0,0|3,0,0]=4 159 B10R1.17 NCCNC1=CC=NC=C1 Z317257862 [1,0,0,0,0,0|3,0,0]=4 160 B10R1.17 NCCNC1=NC=CC=C1 Z85923460 [1,0,0,0,0,0|3,0,0]=4 161 B10R1.17 NCCOC1=CC=CC=C1 Z355423232 [1,0,0,0,0,0|1,0,0]=2 162 B10R1.17 NCCOC1=CC=NC=C1 Z3243651499 [1,0,0,0,0,0|2,0,0]=3 163 B10R1.17 NCCOC1=CN=CC=C1 Z429662874 [1,0,0,0,0,0|2,0,0]=3 164 B10R1.17 NCCOC1=NC=CC=N1 Z4381809298 [1,0,0,0,0,0|3,0,0]=4 165 B10R1.17 NCCSC1=CC=CC=C1 Z57970213 [1,0,0,0,0,0|1,1,0]=3 166 B10R1.17 NNCCC1=CC=CC=C1 Z927192062 [1,0,0,0,0,0|3,0,0]=4 167 B10R1.17 O=CCCC1=CC=CC=C1 Z87002472 [1,0,0,0,0,0|1,0,2]=4 168 B10R1.17 O=CCOC1=CC=CC=C1 Z854102570 [1,0,0,0,0,0|0,0,2]=3 169 B10R1.17 O=CCOC1=NC=CC=C1 Z1255434510 [1,0,0,0,0,0|1,0,2]=4 170 B10R1.17 OC/C=C/C1=CC=CC=C1 Z104473562 [1,0,0,0,0,0|1,0,1]=3 171 B10R1.17 OCC#CC1=NC=CC=C1 Z1143356057 [1,0,0,0,0,0|2,0,1]=4 172 B10R1.17 OCCCC1=CC=CC=C1 Z104476660 [1,0,0,0,0,0|1,0,0]=2 173 B10R1.17 OCCCC1=CC=NC=C1 Z104475752 [1,0,0,0,0,0|2,0,0]=3 174 B10R1.17 OCCCC1=CN=CC=C1 Z104479004 [1,0,0,0,0,0|2,0,0]=3 175 B10R1.17 OCCCC1=NC=NC=C1 Z2044799287 [1,0,0,0,0,0|3,0,0]=4 176 B10R1.17 OCCNC1=CC=NC=C1 Z359301874 [1,0,0,0,0,0|2,0,0]=3 177 B10R1.17 OCCNC1=NC=CC=C1 Z31212159 [1,0,0,0,0,0|2,0,0]=3 178 B10R1.17 OCCNC1=NC=CC=N1 Z31212160 [1,0,0,0,0,0|3,0,0]=4 179 B10R1.17 OCCNC1=NC=CN=C1 Z31212301 [1,0,0,0,0,0|3,0,0]=4 180 B10R1.17 OCCNC1=NN=CC=C1 Z991531008 [1,0,0,0,0,0|3,0,0]=4 181 B10R1.17 OCCOC1=CC=CC=C1 Z104473570 [1,0,0,0,0,0|0,0,0]=1 182 B10R1.17 OCCOC1=CN=CC=C1 Z1180078238 [1,0,0,0,0,0|1,0,0]=2 183 B10R1.17 OCCSC1=CC=CC=C1 Z149157348 [1,0,0,0,0,0|0,1,0]=2 184 B12R1.1 CC1=CC=C(C=C1)CNCCO Z57328136 [0,1,0,0,0,0|2,0,0]=3 185 B12R1.1 CC1=CC=C(C=C1)NCCC#N Z56887629 [0,1,0,0,0,0|3,0,0]=4 186 B12R1.1 CC1=CC=C(C=C1)OCCC#N Z54337098 [0,1,0,0,0,0|2,0,0]=3 187 B12R1.1 CC1=CC=C(C=C1)OCCCN Z285166764 [0,1,0,0,0,0|2,0,0]=3 188 B12R1.1 CC1=CC=C(C=C1)SCCC#N Z54555980 [0,1,0,0,0,0|2,1,0]=4 189 B12R1.1 CCCCOC1=CC=C(C=C1)O Z381414690 [0,1,0,0,0,0|2,0,0]=3 190 B12R1.1 CCCCOC1=NC=C(C=C1)N Z409191158 [0,1,0,0,0,0|3,0,0]=4 191 B12R1.1 CCCNCC1=CC=C(C=C1)F Z57065603 [0,1,0,0,0,0|2,1,0]=4 192 B12R1.1 CNCCOC1=CC=C(C=C1)Br Z55993065 [0,1,0,0,0,0|1,1,0]=3 193 B12R1.1 CNCCOC1=CC=C(C=C1)C Z138105388 [0,1,0,0,0,0|2,0,0]=3 194 B12R1.1 CNCCOC1=CC=C(C=C1)Cl Z56963344 [0,1,0,0,0,0|1,0,0]=2 195 B12R1.1 CNCCOC1=CC=C(C=C1)F Z138105420 [0,1,0,0,0,0|1,1,0]=3 196 B12R1.1 CNCCOC1=CC=C(C=C1)O Z1209979801 [0,1,0,0,0,0|2,0,0]=3 197 B12R1.1 COCCNC1=CC=C(C=C1)N Z812516870 [0,1,0,0,0,0|2,0,0]=3 198 B12R1.1 COCCOC1=CC=C(C=C1)Br Z167838728 [0,1,0,0,0,0|0,1,0]=2 199 B12R1.1 COCCOC1=CC=C(C=C1)F Z285938284 [0,1,0,0,0,0|0,1,0]=2 200 B12R1.1 COCCOC1=CC=C(C=C1)O Z381414750 [0,1,0,0,0,0|1,0,0]=2 201 B12R1.1 COCCOC1=CC=C(C=C1)S Z1689885585 [0,1,0,0,0,0|1,0,0]=2 202 B12R1.1 COCCOC1=NC=C(C=C1)Br Z808608862 [0,1,0,0,0,0|1,1,0]=3 203 B12R1.1 COCCOC1=NC=C(C=C1)N Z234893809 [0,1,0,0,0,0|2,0,0]=3 204 B12R1.1 COCCSC1=CC=C(C=C1)N Z412014166 [0,1,0,0,0,0|1,1,0]=3 205 B12R1.1 CSCCOC1=CC=C(C=C1)I Z54518503 [0,1,0,0,0,0|0,2,0]=3 206 B12R1.1 ClC1=CC=C(C=C1)OCCCBr Z90122426 [0,1,0,0,0,0|1,0,0]=2 207 B12R1.1 FC1=CC=C(C=C1)OCCCBr Z90122147 [0,1,0,0,0,0|1,1,0]=3 208 B12R1.1 FC1=CC=C(C=C1)OCCCCl Z56347250 [0,1,0,0,0,0|1,1,0]=3 209 B12R1.1 N#CCCNC1=CC=C(C=C1)Br Z56855204 [0,1,0,0,0,0|2,1,0]=4 210 B12R1.1 N#CCCNC1=CC=C(C=C1)Cl Z56938006 [0,1,0,0,0,0|2,0,0]=3 211 B12R1.1 N#CCCNC1=CC=C(C=C1)F Z56813500 [0,1,0,0,0,0|2,1,0]=4 212 B12R1.1 N#CCCOC1=CC=C(C=C1)Br Z54336945 [0,1,0,0,0,0|1,1,0]=3 213 B12R1.1 N#CCCOC1=CC=C(C=C1)F Z54337110 [0,1,0,0,0,0|1,1,0]=3 214 B12R1.1 N#CCCSC1=CC=C(C=C1)F Z54340130 [0,1,0,0,0,0|1,2,0]=4 215 B12R1.1 N#CCSCC1=CC=C(C=C1)Cl Z18433100 [0,1,0,0,0,0|1,1,1]=4 216 B12R1.1 NC1=CC=C(C=C1)CCCCO Z1262622677 [0,1,0,0,0,0|2,0,0]=3 217 B12R1.1 NC1=CC=C(C=C1)COCCO Z332379572 [0,1,0,0,0,0|1,0,0]=2 218 B12R1.1 NC1=CC=C(C=C1)OCCCO Z382707186 [0,1,0,0,0,0|1,0,0]=2 219 B12R1.1 NC1=CC=C(C=C1)SCCCO Z412012390 [0,1,0,0,0,0|1,1,0]=3 220 B12R1.1 NCC/C=C/C1=CC=C(C=C1)Br Z2651620817 [0,1,0,0,0,0|2,1,0]=4 221 B12R1.1 NCCCCC1=CC=C(C=C1)Br Z5880376049 [0,1,0,0,0,0|2,1,0]=4 222 B12R1.1 NCCCCC1=CC=C(C=C1)Cl Z3234944947 [0,1,0,0,0,0|2,0,0]=3 223 B12R1.1 NCCCOC1=CC=C(C=C1)F Z271006096 [0,1,0,0,0,0|1,1,0]=3 224 B12R1.1 NCCCSC1=CC=C(C=C1)F Z56988241 [0,1,0,0,0,0|1,2,0]=4 225 B12R1.1 NCCOCC1=CC=C(C=C1)Cl Z1511495255 [0,1,0,0,0,0|1,0,0]=2 226 B12R1.1 NCCSCC1=CC=C(C=C1)Cl Z1891773800 [0,1,0,0,0,0|1,1,0]=3 227 B12R1.1 NCCSCC1=CN=C(C=C1)Cl Z406685558 [0,1,0,0,0,0|2,1,0]=4 228 B12R1.1 NNCCOC1=CC=C(C=C1)Cl Z94597880 [0,1,0,0,0,0|1,0,0]=2 229 B12R1.1 OCCCNC1=CC=C(C=C1)Cl Z104647680 [0,1,0,0,0,0|1,0,0]=2 230 B12R1.1 OCCCOC1=CC=C(C=C1)Br Z425795726 [0,1,0,0,0,0|0,1,0]=2 231 B12R1.1 OCCCOC1=CC=C(C=C1)F Z228585902 [0,1,0,0,0,0|0,1,0]=2 232 B12R1.1 OCCNCC1=CC=C(C=C1)F Z3225797537 [0,1,0,0,0,0|1,1,0]=3 233 B12R1.16 CC1=CC=C(C=C1)C(=O)NCO Z56801291 [0,1,0,0,0,0|3,0,0]=4 234 B12R1.16 CCCC(=O)C1=CC=C(C=C1)Cl Z104483624 [0,1,0,0,0,0|2,0,0]=3 235 B12R1.16 CCCC(=O)C1=NC=C(C=C1)Cl Z1392159744 [0,1,0,0,0,0|3,0,0]=4 236 B12R1.16 CCCC(N)C1=CC=C(C=C1)Cl Z1416203204 [0,1,0,0,0,0|2,0,0]=3 237 B12R1.16 CN(CCO)C1=CC=C(C=C1)F Z905079510 [0,1,0,0,0,0|1,1,0]=3 238 B12R1.16 CN(CCO)C1=CC=C(C=C1)N Z359383966 [0,1,0,0,0,0|2,0,0]=3 239 B12R1.16 CN(CCO)C1=CN=C(C=C1)N Z390185406 [0,1,0,0,0,0|3,0,0]=4 240 B12R1.16 N#CCC(=O)C1=CC=C(C=C1)Cl Z56963409 [0,1,0,0,0,0|2,0,1]=4 241 B12R1.16 NC(CCO)C1=CC=C(C=C1)Br Z979743656 [0,1,0,0,0,0|1,1,0]=3 242 B12R1.16 NC(CCO)C1=CC=C(C=C1)F Z979743658 [0,1,0,0,0,0|1,1,0]=3 243 B12R1.16 O=C(CCCl)C1=CC=C(C=C1)F Z104478542 [0,1,0,0,0,0|2,1,0]=4 244 B12R1.16 O=C(NCO)C1=CC=C(C=C1)Cl Z1198154132 [0,1,0,0,0,0|2,0,0]=3 245 B12R1.21 CC(C)CCC1=CC=C(C=C1)N Z424736042 [0,1,0,0,0,0|3,0,0]=4 246 B12R1.21 CC(C)CNC1=CC=C(C=C1)Cl Z1695729058 [0,1,0,0,0,0|2,0,0]=3 247 B12R1.21 CC(C)COC1=CC=C(C=C1)O Z381414742 [0,1,0,0,0,0|2,0,0]=3 248 B12R1.21 CC(C)COC1=NC=C(C=C1)N Z285175576 [0,1,0,0,0,0|3,0,0]=4 249 B12R1.21 CC(N)CCC1=CC=C(C=C1)Br Z235361851 [0,1,0,0,0,0|2,1,0]=4 250 B12R1.21 CC(N)CCC1=CC=C(C=C1)I Z1947443961 [0,1,0,0,0,0|2,1,0]=4 251 B12R1.21 CC(N)CCC1=CC=C(C=C1)O Z220327456 [0,1,0,0,0,0|3,0,0]=4 252 B12R1.21 CC(N)COC1=CC=C(C=C1)F Z271017038 [0,1,0,0,0,0|1,1,0]=3 253 B12R1.21 CC(O)CCC1=CC=C(C=C1)O Z57921369 [0,1,0,0,0,0|2,0,0]=3 254 B12R1.21 CC1=CC=C(C=C1)CCC(=O)O Z169855336 [0,1,0,0,0,0|2,0,1]=4 255 B12R1.21 CC1=CC=C(C=C1)NCC(C)C Z334955606 [0,1,0,0,0,0|3,0,0]=4 256 B12R1.21 CC1=CC=C(C=C1)OCC(=O)N Z19732046 [0,1,0,0,0,0|1,0,2]=4 257 B12R1.21 CC1=CC=C(C=C1)OCC(=O)O Z56812739 [0,1,0,0,0,0|1,0,1]=3 258 B12R1.21 CC1=CC=C(C=C1)OCC(=S)N Z295396970 [0,1,0,0,0,0|1,1,1]=4 259 B12R1.21 CC1=CC=C(C=C1)OCC(C)N Z285166960 [0,1,0,0,0,0|2,0,0]=3 260 B12R1.21 CC1=CC=C(C=C1)SCC(=O)O Z55903478 [0,1,0,0,0,0|1,1,1]=4 261 B12R1.21 CC1=CC=C(C=C1)SCC(C)N Z1238717325 [0,1,0,0,0,0|2,1,0]=4 262 B12R1.21 C[C@@H](O)CNC1=NC=C(C=C1)Br Z1564028158 [0,1,0,0,0,0|2,1,0]=4 263 B12R1.21 C[C@H](O)CNC1=NC=C(C=C1)Br Z1564015843 [0,1,0,0,0,0|2,1,0]=4 264 B12R1.21 FC1=CC=C(C=C1)NCC(F)F Z608352362 [0,1,0,0,0,0|2,1,0]=4 265 B12R1.21 NC(=O)CNC1=CC=C(C=C1)Cl Z104647358 [0,1,0,0,0,0|1,0,2]=4 266 B12R1.21 NC(=O)COC1=CC=C(C=C1)Br Z19725712 [0,1,0,0,0,0|0,1,2]=4 267 B12R1.21 NC(=O)COC1=CC=C(C=C1)F Z19734788 [0,1,0,0,0,0|0,1,2]=4 268 B12R1.21 NC(=O)COC1=CC=C(C=C1)I Z25086979 [0,1,0,0,0,0|0,1,2]=4 269 B12R1.21 NC(=O)COC1=CC=C(C=C1)N Z239127428 [0,1,0,0,0,0|1,0,2]=4 270 B12R1.21 NC(=O)COC1=CC=C(C=C1)O Z381414726 [0,1,0,0,0,0|1,0,2]=4 271 B12R1.21 NC(=S)COC1=CC=C(C=C1)Cl Z295395122 [0,1,0,0,0,0|0,1,1]=3 272 B12R1.21 NC1=CC=C(C=C1)CCC(=O)O Z336079452 [0,1,0,0,0,0|2,0,1]=4 273 B12R1.21 NC1=CC=C(C=C1)OCC(=O)O Z3241275736 [0,1,0,0,0,0|1,0,1]=3 274 B12R1.21 NC1=CC=C(C=C1)OCC(F)F Z608351552 [0,1,0,0,0,0|2,0,0]=3 275 B12R1.21 O=C(O)/C=C/C1=CC=C(C=C1)Cl Z56989206 [0,1,0,0,0,0|1,0,2]=4 276 B12R1.21 O=C(O)CCC1=CC=C(C=C1)Br Z118438622 [0,1,0,0,0,0|1,1,1]=4 277 B12R1.21 O=C(O)CCC1=CC=C(C=C1)Cl Z178961272 [0,1,0,0,0,0|1,0,1]=3 278 B12R1.21 O=C(O)CCC1=CC=C(C=C1)F Z89264973 [0,1,0,0,0,0|1,1,1]=4 279 B12R1.21 O=C(O)CCC1=CC=C(C=C1)O Z317038012 [0,1,0,0,0,0|2,0,1]=4 280 B12R1.21 O=C(O)CCC1=CN=C(C=C1)Cl Z1695923041 [0,1,0,0,0,0|2,0,1]=4 281 B12R1.21 O=C(O)CNC1=CC=C(C=C1)Br Z274534708 [0,1,0,0,0,0|1,1,1]=4 282 B12R1.21 O=C(O)CNC1=CC=C(C=C1)Cl Z274534702 [0,1,0,0,0,0|1,0,1]=3 283 B12R1.21 O=C(O)CNC1=CC=C(C=C1)O Z57127481 [0,1,0,0,0,0|2,0,1]=4 284 B12R1.21 O=C(O)COC1=CC=C(C=C1)Br Z56812736 [0,1,0,0,0,0|0,1,1]=3 285 B12R1.21 O=C(O)COC1=CC=C(C=C1)Cl Z57181989 [0,1,0,0,0,0|0,0,1]=2 286 B12R1.21 O=C(O)COC1=CC=C(C=C1)F Z56978034 [0,1,0,0,0,0|0,1,1]=3 287 B12R1.21 O=C(O)COC1=CC=C(C=C1)I Z56943814 [0,1,0,0,0,0|0,1,1]=3 288 B12R1.21 O=C(O)COC1=CC=C(C=C1)O Z1192367471 [0,1,0,0,0,0|1,0,1]=3 289 B12R1.21 O=C(O)COC1=NC=C(C=C1)Br Z1269227587 [0,1,0,0,0,0|1,1,1]=4 290 B12R1.21 O=C(O)COC1=NC=C(C=C1)F Z1723875084 [0,1,0,0,0,0|1,1,1]=4 291 B12R1.21 O=C(O)CSC1=CC=C(C=C1)Br Z55903477 [0,1,0,0,0,0|0,2,1]=4 292 B12R1.21 O=C(O)CSC1=CC=C(C=C1)Cl Z55179956 [0,1,0,0,0,0|0,1,1]=3 293 B12R1.21 O=C(O)CSC1=CC=C(C=C1)F Z55903650 [0,1,0,0,0,0|0,2,1]=4 294 B12R1.21 O=C(O)CSC1=CC=C(C=C1)O Z733878444 [0,1,0,0,0,0|1,1,1]=4 295 B12R1.21 O=C([O-])COC1=NC=C(C=C1)Cl Z3445335054 [0,1,0,0,0,0|1,0,2]=4 296 B12R1.49 CC(C#N)SC1=CC=C(C=C1)Cl Z19728690 [0,1,0,0,0,0|1,1,1]=4 297 B12R1.49 CC(CN)OC1=CC=C(C=C1)Br Z844632490 [0,1,0,0,0,0|1,1,0]=3 298 B12R1.49 CC(CN)OC1=CC=C(C=C1)Cl Z844632498 [0,1,0,0,0,0|1,0,0]=2 299 B12R1.49 CC(CN)OC1=CC=C(C=C1)F Z274779140 [0,1,0,0,0,0|1,1,0]=3 300 B12R1.49 CC(CN)SC1=CC=C(C=C1)Br Z1266854950 [0,1,0,0,0,0|1,2,0]=4 301 B12R1.49 CC1=CC=C(C=C1)CC(N)CO Z1800620539 [0,1,0,0,0,0|2,0,0]=3 302 B12R1.49 CC1=CC=C(C=C1)NC(=O)CO Z228585410 [0,1,0,0,0,0|2,0,1]=4 303 B12R1.49 CC1=CC=C(C=C1)OC(C)CN Z844632044 [0,1,0,0,0,0|2,0,0]=3 304 B12R1.49 CCC(C)OC1=CC=C(C=C1)Br Z336342658 [0,1,0,0,0,0|1,1,0]=3 305 B12R1.49 CCC(C)OC1=CC=C(C=C1)N Z274541874 [0,1,0,0,0,0|2,0,0]=3 306 B12R1.49 CCC(C)OC1=CC=C(C=C1)O Z381414944 [0,1,0,0,0,0|2,0,0]=3 307 B12R1.49 CCC(N)CC1=CC=C(C=C1)Br Z2582143601 [0,1,0,0,0,0|2,1,0]=4 308 B12R1.49 CCC(N)CC1=CC=C(C=C1)C Z431980102 [0,1,0,0,0,0|3,0,0]=4 309 B12R1.49 CCC(N)CC1=CC=C(C=C1)Cl Z2044769785 [0,1,0,0,0,0|2,0,0]=3 310 B12R1.49 CCC(N)CC1=CC=C(C=C1)F Z2492774579 [0,1,0,0,0,0|2,1,0]=4 311 B12R1.49 CCC(N)CC1=CC=C(C=C1)O Z1815149210 [0,1,0,0,0,0|3,0,0]=4 312 B12R1.49 CCC(O)CC1=CC=C(C=C1)C Z513751166 [0,1,0,0,0,0|3,0,0]=4 313 B12R1.49 C[C@@H](CN)OC1=CC=C(C=C1)Cl Z1860991587 [0,1,0,0,0,0|1,0,0]=2 314 B12R1.49 NC(CO)CC1=CC=C(C=C1)Cl Z3244488892 [0,1,0,0,0,0|1,0,0]=2 315 B12R1.49 NC(CO)CC1=CC=C(C=C1)F Z1849004242 [0,1,0,0,0,0|1,1,0]=3 316 B12R1.49 NC(CO)CC1=CC=C(C=C1)I Z1263636488 [0,1,0,0,0,0|1,1,0]=3 317 B12R1.49 NC1=CC=C(C=C1)CC(F)CO Z4580450313 [0,1,0,0,0,0|2,0,0]=3 318 B12R1.49 NCC(=O)NC1=CC=C(C=C1)Cl Z803145238 [0,1,0,0,0,0|2,0,1]=4 319 B12R1.49 NCC(O)CC1=CC=C(C=C1)Br Z4990293859 [0,1,0,0,0,0|2,1,0]=4 320 B12R1.49 N[C@@H](CO)CC1=CC=C(C=C1)O Z295456854 [0,1,0,0,0,0|2,0,0]=3 321 B12R1.49 N[C@H](CO)CC1=CC=C(C=C1)O Z203038576 [0,1,0,0,0,0|2,0,0]=3 322 B12R1.49 O=C(CC1=CC=C(C=C1)Cl)NO Z59182084 [0,1,0,0,0,0|2,0,1]=4 323 B12R1.49 O=C(CCl)CC1=CC=C(C=C1)Cl Z316174770 [0,1,0,0,0,0|2,0,1]=4 324 B12R1.49 O=C(CCl)NC1=CC=C(C=C1)Cl Z56867253 [0,1,0,0,0,0|2,0,1]=4 325 B12R1.49 O=C(CO)CC1=CC=C(C=C1)F Z906206828 [0,1,0,0,0,0|1,1,1]=4 326 B12R1.49 O=C(CO)NC1=CC=C(C=C1)Cl Z228585484 [0,1,0,0,0,0|1,0,1]=3 327 B12R1.69 C#CCOC1=C(C=C(C=C1)F)N Z1259339886 [0,1,0,0,0,0|1,1,1]=4 328 B12R1.69 C=CCOC1=C(C=C(C=C1)Br)N Z1263545294 [0,1,0,0,0,0|1,1,1]=4 329 B12R1.69 CC1=C(C=CC(=C1)I)NCCO Z1381509892 [0,1,0,0,0,0|1,1,0]=3 330 B12R1.69 CC1=CC(=C(C=C1)CCCN)C Z90666959 [0,1,0,0,0,0|3,0,0]=4 331 B12R1.69 CCCNC1=C(C=C(C=C1)Br)Cl Z2943872485 [0,1,0,0,0,0|2,1,0]=4 332 B12R1.69 CCCNC1=C(C=C(C=C1)Cl)N Z359511154 [0,1,0,0,0,0|2,0,0]=3 333 B12R1.69 CCCOC1=C(C=C(C=C1)F)N Z406677838 [0,1,0,0,0,0|1,1,0]=3 334 B12R1.69 CCCOC1=C(C=C(C=C1)N)C Z2689925106 [0,1,0,0,0,0|2,0,0]=3 335 B12R1.69 CCCOC1=C(C=C(C=C1)N)Cl Z239873352 [0,1,0,0,0,0|2,0,0]=3 336 B12R1.69 CCCOC1=C(C=C(C=C1)N)F Z406677828 [0,1,0,0,0,0|2,0,0]=3 337 B12R1.69 ClC1=CC(=C(C=C1)OCCBr)Br Z90122429 [0,1,0,0,0,0|1,0,0]=2 338 B12R1.69 ClC1=CC(=C(C=C1)OCCBr)Cl Z56948382 [0,1,0,0,0,0|1,0,0]=2 339 B12R1.69 N#CCOC1=C(C=C(C=C1)Cl)Cl Z53791721 [0,1,0,0,0,0|1,0,1]=3 340 B12R1.69 NCCCC1=C(C=C(C=C1)Br)F Z424783082 [0,1,0,0,0,0|2,1,0]=4 341 B12R1.69 NCCCC1=C(C=C(C=C1)Cl)Cl Z424783018 [0,1,0,0,0,0|2,0,0]=3 342 B12R1.69 NCCOC1=C(C=C(C=C1)Cl)Cl Z5435727950 [0,1,0,0,0,0|1,0,0]=2 343 B12R1.69 NCCOC1=C(C=C(C=C1)F)F Z1263820293 [0,1,0,0,0,0|1,1,0]=3 344 B12R1.69 NCCOC1=C(C=C(C=N1)Cl)Cl Z1421526099 [0,1,0,0,0,0|2,0,0]=3 345 B12R1.69 O=CCCC1=C(C=C(C=C1)Cl)Cl Z993017674 [0,1,0,0,0,0|1,0,2]=4 346 B12R1.69 OCCNC1=C(C=C(C=C1)F)F Z335277958 [0,1,0,0,0,0|1,1,0]=3 347 B12R1.69 OCCOC1=C(C=C(C=C1)Br)Br Z149164564 [0,1,0,0,0,0|0,1,0]=2 348 B12R1.69 OCCOC1=C(C=C(C=C1)Br)Cl Z71184687 [0,1,0,0,0,0|0,1,0]=2 349 B12R1.69 OCCOC1=C(C=C(C=C1)Cl)Br Z74088094 [0,1,0,0,0,0|0,0,0]=1 350 B12R1.71 C#CCOC1=CC=C(C=C1)C=O Z54475573 [0,1,0,0,0,0|2,0,1]=4 351 B12R1.71 C#CCOC1=CC=C(C=C1)CN Z2690412226 [0,1,0,0,0,0|2,0,1]=4 352 B12R1.71 C#CCOC1=CC=C(C=C1)CO Z54564256 [0,1,0,0,0,0|2,0,1]=4 353 B12R1.71 C#CCOC1=CC=C(C=C1)NC Z730521686 [0,1,0,0,0,0|2,0,1]=4 354 B12R1.71 C=CCOC1=CC=C(C=C1)C=O Z54337085 [0,1,0,0,0,0|2,0,1]=4 355 B12R1.71 C=CCOC1=CC=C(C=C1)CO Z54636167 [0,1,0,0,0,0|2,0,1]=4 356 B12R1.71 CCC1=CC=C(C=C1)/C=C/CO Z1913661008 [0,1,0,0,0,0|2,0,1]=4 357 B12R1.71 CCCCC1=CC=C(C=C1)C=O Z385369906 [0,1,0,0,0,0|3,0,0]=4 358 B12R1.71 CCCCC1=CC=C(C=C1)NC Z1331041631 [0,1,0,0,0,0|3,0,0]=4 359 B12R1.71 CCCNC1=CC=C(C=C1)CC Z334948098 [0,1,0,0,0,0|3,0,0]=4 360 B12R1.71 CCCOC1=CC=C(C=C1)C#N Z53834534 [0,1,0,0,0,0|2,0,0]=3 361 B12R1.71 CCCOC1=CC=C(C=C1)C=O Z53833128 [0,1,0,0,0,0|2,0,0]=3 362 B12R1.71 CCCOC1=CC=C(C=C1)CN Z57102483 [0,1,0,0,0,0|2,0,0]=3 363 B12R1.71 CCCOC1=CC=C(C=C1)CO Z54603099 [0,1,0,0,0,0|2,0,0]=3 364 B12R1.71 CCCOC1=NC=C(C=C1)CN Z406677818 [0,1,0,0,0,0|3,0,0]=4 365 B12R1.71 COC1=CC=C(C=C1)CCCN Z291234224 [0,1,0,0,0,0|3,0,0]=4 366 B12R1.71 COC1=CC=C(C=C1)OCC#N Z53792243 [0,1,0,0,0,0|2,0,1]=4 367 B12R1.71 COC1=CC=C(C=C1)OCCBr Z56886539 [0,1,0,0,0,0|2,0,0]=3 368 B12R1.71 COC1=CC=C(C=C1)OCCN Z54845983 [0,1,0,0,0,0|2,0,0]=3 369 B12R1.71 COC1=NC=C(C=C1)NCCO Z335249622 [0,1,0,0,0,0|3,0,0]=4 370 B12R1.71 N#CC1=CC=C(C=C1)NCCO Z196118762 [0,1,0,0,0,0|2,0,0]=3 371 B12R1.71 N#CC1=CC=C(C=C1)OCCBr Z56960251 [0,1,0,0,0,0|2,0,0]=3 372 B12R1.71 N#CC1=CC=C(C=C1)OCCN Z1262398529 [0,1,0,0,0,0|2,0,0]=3 373 B12R1.71 N#CC1=CC=C(C=C1)OCCO Z149165452 [0,1,0,0,0,0|1,0,0]=2 374 B12R1.71 N#CCOC1=CC=C(C=C1)C#N Z53791879 [0,1,0,0,0,0|2,0,1]=4 375 B12R1.71 N#CCOC1=CC=C(C=C1)C=O Z53791012 [0,1,0,0,0,0|2,0,1]=4 376 B12R1.71 N#CCOC1=CC=C(C=C1)CN Z1263529642 [0,1,0,0,0,0|2,0,1]=4 377 B12R1.71 NCC1=CC=C(C=C1)OCCO Z1891774500 [0,1,0,0,0,0|1,0,0]=2 378 B12R1.71 NCC1=CC=C(C=C1)SCCO Z4457865489 [0,1,0,0,0,0|1,1,0]=3 379 B12R1.71 O=CC1=CC=C(C=C1)OCCO Z295452566 [0,1,0,0,0,0|1,0,0]=2 380 B12R1.71 O=CC1=CN=C(C=C1)OCCO Z1255497432 [0,1,0,0,0,0|2,0,0]=3 381 B12R1.71 O=CC1=NC=C(C=C1)OCCF Z1416227908 [0,1,0,0,0,0|3,0,0]=4 382 B12R1.385 CC1=C(C=C(C=C1)SCCN)C Z56347318 [0,1,0,0,0,0|2,1,0]=4 383 B12R1.385 CC1=C(C=C(C=C1)SCCO)C Z149235456 [0,1,0,0,0,0|1,1,0]=3 384 B12R1.385 CC1=C(C=CC(=C1)OCCO)N Z335092234 [0,1,0,0,0,0|1,0,0]=2 385 B12R1.385 CC1=C(C=CC(=N1)NCCO)Br Z1652081916 [0,1,0,0,0,0|2,1,0]=4 386 B12R1.385 CCCCC1=CC(=C(C=C1)C)N Z1262626215 [0,1,0,0,0,0|3,0,0]=4 387 B12R1.385 CCCCC1=CC(=C(C=C1)O)C Z1416171318 [0,1,0,0,0,0|3,0,0]=4 388 B12R1.385 CCCNC1=CC(=C(C=C1)C)C Z3179194889 [0,1,0,0,0,0|3,0,0]=4 389 B12R1.385 CCCNC1=CC(=C(C=C1)C)Cl Z3178892110 [0,1,0,0,0,0|3,0,0]=4 390 B12R1.385 CCCNC1=CC(=C(C=C1)Cl)C Z3178893817 [0,1,0,0,0,0|2,0,0]=3 391 B12R1.385 CCCNC1=CC(=C(C=C1)Cl)Cl Z3006084945 [0,1,0,0,0,0|2,0,0]=3 392 B12R1.385 CCCOC1=CC(=C(C=C1)Br)Cl Z1618009620 [0,1,0,0,0,0|1,1,0]=3 393 B12R1.385 CCCOC1=CC(=C(C=C1)N)C Z239604814 [0,1,0,0,0,0|2,0,0]=3 394 B12R1.385 CCNCC1=CC(=C(C=C1)Cl)Cl Z752370982 [0,1,0,0,0,0|3,0,0]=4 395 B12R1.385 N#CCOC1=CC(=C(C=C1)Cl)F Z1539413038 [0,1,0,0,0,0|1,0,1]=3 396 B12R1.385 N#CCOC1=CC(=C(C=C1)F)Cl Z54976055 [0,1,0,0,0,0|1,1,1]=4 397 B12R1.385 NCCOC1=CC(=C(C=C1)Cl)F Z2235790693 [0,1,0,0,0,0|1,0,0]=2 398 B12R1.385 NCCOC1=CC(=C(C=C1)F)F Z1263820280 [0,1,0,0,0,0|1,1,0]=3 399 B12R1.385 O=CCCC1=CC(=C(C=C1)Cl)Cl Z993017630 [0,1,0,0,0,0|1,0,2]=4 400 B12R1.385 O=CCCC1=CC(=C(C=C1)Cl)F Z1198182696 [0,1,0,0,0,0|1,0,2]=4 401 B12R1.385 OC/C=C/C1=CC(=C(C=C1)Cl)Cl Z1269240197 [0,1,0,0,0,0|1,0,1]=3 402 B12R1.385 OCCCC1=CC(=C(C=C1)Cl)Cl Z993012522 [0,1,0,0,0,0|1,0,0]=2 403 B12R1.385 OCCNC1=CC(=C(C=C1)F)F Z335273086 [0,1,0,0,0,0|1,1,0]=3 404 B12R2.24 BrC1=CC2=C(C=C1)CCCC2 Z299596180 [0,0,0,1,0,0|2,1,0]=4 405 B12R2.24 BrC1=CC2=C(C=C1)NCCC2 Z283683538 [0,0,0,1,0,0|2,1,0]=4 406 B12R2.24 BrC1=CC2=C(C=C1)NCCN2 Z1269212086 [0,0,0,1,0,0|2,1,0]=4 407 B12R2.24 BrC1=CC2=C(C=C1)NCCO2 Z1741976975 [0,0,0,1,0,0|1,1,0]=3 408 B12R2.24 BrC1=CC2=C(C=C1)OCCO2 Z56944508 [0,0,0,1,0,0|0,1,0]=2 409 B12R2.24 BrC1=CC2=C(N=C1)NCCO2 Z1269198246 [0,0,0,1,0,0|2,1,0]=4 410 B12R2.24 BrC1=CC2=C(N=C1)OCCC2 Z1269108179 [0,0,0,1,0,0|2,1,0]=4 411 B12R2.24 BrC1=CC2=C(N=C1)OCCN2 Z1269152625 [0,0,0,1,0,0|2,1,0]=4 412 B12R2.24 BrC1=CC2=C(N=C1)OCCO2 Z1269179368 [0,0,0,1,0,0|1,1,0]=3 413 B12R2.24 CC1=CC2=C(C=C1)CCCN2 Z1166113428 [0,0,0,1,0,0|3,0,0]=4 414 B12R2.24 CC1=CC2=C(C=C1)NCCC2 Z104494706 [0,0,0,1,0,0|3,0,0]=4 415 B12R2.24 CC1=CC2=C(C=C1)NCCO2 Z1203731551 [0,0,0,1,0,0|2,0,0]=3 416 B12R2.24 CC1=CC2=C(C=C1)OCCC2 Z939648534 [0,0,0,1,0,0|2,0,0]=3 417 B12R2.24 CC1=CC2=C(N=C1)OCCN2 Z1255430604 [0,0,0,1,0,0|3,0,0]=4 418 B12R2.24 CC1=NC2=C(C=C1)NCCO2 Z1262615161 [0,0,0,1,0,0|3,0,0]=4 419 B12R2.24 CC1=NC2=C(C=C1)OCCN2 Z1198169979 [0,0,0,1,0,0|3,0,0]=4 420 B12R2.24 ClC1=CC2=C(C=C1)CCCN2 Z3244460786 [0,0,0,1,0,0|2,0,0]=3 421 B12R2.24 ClC1=CC2=C(C=C1)CCNC2 Z1716481593 [0,0,0,1,0,0|3,0,0]=4 422 B12R2.24 ClC1=CC2=C(C=C1)NCCC2 Z259727454 [0,0,0,1,0,0|2,0,0]=3 423 B12R2.24 ClC1=CC2=C(C=C1)OCCN2 Z1198179941 [0,0,0,1,0,0|1,0,0]=2 424 B12R2.24 ClC1=CC2=C(C=C1)OCCO2 Z382713970 [0,0,0,1,0,0|0,0,0]=1 425 B12R2.24 ClC1=CC2=C(C=C1)SCCN2 Z361994002 [0,0,0,1,0,0|1,1,0]=3 426 B12R2.24 ClC1=CC2=C(N=C1)NCCC2 Z1862012742 [0,0,0,1,0,0|3,0,0]=4 427 B12R2.24 IC1=CC2=C(N=C1)OCCC2 Z1486000685 [0,0,0,1,0,0|2,1,0]=4 428 B12R2.24 NC1=CC2=C(C=C1)CCCC2 Z278204684 [0,0,0,1,0,0|3,0,0]=4 429 B12R2.24 NC1=CC2=C(C=C1)OCCC2 Z728136682 [0,0,0,1,0,0|2,0,0]=3 430 B12R2.24 NC1=CC2=C(C=C1)OCCO2 Z56893112 [0,0,0,1,0,0|1,0,0]=2 431 B12R2.24 NC1=NC=C2OCCCC2=C1 Z2235790796 [0,0,0,1,0,0|3,0,0]=4 432 B12R2.24 OC1=CC2=C(C=C1)CCCC2 Z57182387 [0,0,0,1,0,0|3,0,0]=4 433 B12R2.24 OC1=CC2=C(C=C1)CCCN2 Z1198176201 [0,0,0,1,0,0|3,0,0]=4 434 B12R2.24 OC1=CC2=C(C=C1)NCCO2 Z4967332209 [0,0,0,1,0,0|2,0,0]=3 435 B12R2.24 OC1=CC2=C(C=C1)OCCC2 Z1201627010 [0,0,0,1,0,0|2,0,0]=3 436 B12R2.24 OC1=CC2=C(C=C1)OCCN2 Z3234815231 [0,0,0,1,0,0|2,0,0]=3 437 B12R2.24 OC1=CC2=C(C=C1)OCCO2 Z168827500 [0,0,0,1,0,0|1,0,0]=2 438 B12R2.79 CC1=CC=C(C=C1)[C@@H]2C[C@H]2N Z2380468351 [0,0,0,1,0,0|3,0,0]=4 439 B12R2.79 C[C@@H]1O[C@H]1C2=CC=C(C=C2)Cl Z3074487523 [0,0,0,1,0,0|3,0,0]=4 440 B12R2.79 NC1CC1C2=CC=C(C=C2)F Z1266823169 [0,0,0,1,0,0|2,1,0]=4 441 B12R2.79 N[C@@H]1C[C@H]1C2=CC=C(C=C2)Br Z2298098036 [0,0,0,1,0,0|2,1,0]=4 442 B12R2.79 N[C@@H]1C[C@H]1C2=CC=C(C=C2)Cl Z2298098012 [0,0,0,1,0,0|2,0,0]=3 443 B12R2.132 CC1=CC2=C(C=C1)CCC2N Z1259339087 [0,0,0,1,0,0|3,0,0]=4 444 B12R2.132 CC1=CC2=C(C=C1)OCC2N Z1431002725 [0,0,0,1,0,0|2,0,0]=3 445 B12R2.132 CC1=COC2=C1C=C(C=C2)Cl Z1198170631 [0,0,0,1,0,0|1,0,2]=4 446 B12R2.132 NC1=CC2=C(C=C1)CCC2O Z1203584428 [0,0,0,1,0,0|2,0,0]=3 447 B12R2.132 NC1=NOC2=C1C=C(C=C2)Cl Z1255458428 [0,0,0,1,0,0|2,0,1]=4 448 B12R2.132 NC1CCC2=C1C=C(C=C2)Cl Z2692095081 [0,0,0,1,0,0|2,0,0]=3 449 B12R2.132 NC1CCC2=C1C=C(C=C2)F Z1263820321 [0,0,0,1,0,0|2,1,0]=4 450 B12R2.132 NC1CCC2=C1C=C(C=C2)O Z1198165276 [0,0,0,1,0,0|3,0,0]=4 451 B12R2.132 NC1COC2=C1C=C(C=C2)Br Z3241275758 [0,0,0,1,0,0|1,1,0]=3 452 B12R2.132 NC1COC2=C1C=C(C=C2)Cl Z1431002566 [0,0,0,1,0,0|1,0,0]=2 453 B12R2.132 NC1COC2=C1C=C(C=C2)F Z1698549696 [0,0,0,1,0,0|1,1,0]=3 454 B12R2.132 NC1CSC2=C1C=C(C=C2)Br Z431545436 [0,0,0,1,0,0|1,2,0]=4 455 B12R2.132 O=C1COC2=C1C=C(C=C2)Cl Z334863058 [0,0,0,1,0,0|0,0,2]=3 456 B12R2.132 O=C1COC2=C1C=C(C=C2)F Z334863052 [0,0,0,1,0,0|0,1,2]=4 457 B12R2.132 OB1OCC2=C1C=C(C=C2)Cl Z1504688024 [0,0,0,1,0,0|3,0,0]=4 458 B12R2.132 OC1=CC2=C(C=C1)OC=C2O Z1216838816 [0,0,0,1,0,0|1,0,2]=4 459 B12R2.132 OC1=NOC2=C1C=C(C=C2)Cl Z1201619168 [0,0,0,1,0,0|1,0,1]=3 460 B12R2.132 OC1CCC2=C1C=C(C=C2)F Z815114600 [0,0,0,1,0,0|1,1,0]=3 461 B12R2.132 ON1N=NC2=C1C=C(C=C2)Cl Z56917366 [0,0,0,1,0,0|3,0,0]=4 462 B12R2.294 BrC1=CC=C(C=C1)CC2CO2 Z2523466484 [0,0,0,1,0,0|1,1,0]=3 463 B12R2.294 FC1=CC=C(C=C1)CC2CO2 Z1495386285 [0,0,0,1,0,0|1,1,0]=3 464 B12R2.294 OC1=CC=C(C=C1)OC2CC2 Z1255401633 [0,0,0,1,0,0|2,0,0]=3 465 B12R2.2302 ClC1=CC=C(C=C1)C2CCN2 Z1267773691 [0,0,0,1,0,0|2,0,0]=3 466 B12R2.2302 ClC1=CC=C(C=C1)C2CNC2 Z3244745362 [0,0,0,1,0,0|3,0,0]=4 467 B12R2.2302 NC1=CC=C(C=C1)C2CCC2 Z1203579606 [0,0,0,1,0,0|3,0,0]=4 468 B12R2.2302 OC1=CC=C(C=C1)C2CCC2 Z1486032779 [0,0,0,1,0,0|3,0,0]=4 469 B10R1.16 OCCCC1=CC(=CS1)Br Z993012592 [0,0,0,0,1,0|2,1,0]=4 470 B9R1.1 CC1=CN=C(C=C1)CO Z1198270889 [2,0,0,0,0,0|2,0,0]=4 471 B9R1.1 CC1=NC=C(C=C1)CO Z397587474 [2,0,0,0,0,0|2,0,0]=4 472 B9R1.1 CCC1=CC=C(C=C1)I Z381540768 [2,0,0,0,0,0|0,1,0]=3 473 B9R1.1 CCC1=CC=C(C=C1)N Z104477836 [2,0,0,0,0,0|1,0,0]=3 474 B9R1.1 CCC1=CC=C(C=C1)O Z104479728 [2,0,0,0,0,0|1,0,0]=3 475 B9R1.1 CCC1=CN=C(C=C1)N Z1198224278 [2,0,0,0,0,0|2,0,0]=4 476 B9R1.1 CCC1=CN=C(N=C1)Cl Z1255423971 [2,0,0,0,0,0|2,0,0]=4 477 B9R1.1 CNC1=CC=C(C=C1)I Z744582716 [2,0,0,0,0,0|1,1,0]=4 478 B9R1.1 CNC1=CC=C(C=C1)O Z940713298 [2,0,0,0,0,0|2,0,0]=4 479 B9R1.1 CNC1=NC=C(C=C1)Cl Z359297632 [2,0,0,0,0,0|2,0,0]=4 480 B9R1.1 COC1=CC=C(C=C1)C Z53834227 [2,0,0,0,0,0|1,0,0]=3 481 B9R1.1 COC1=CC=C(C=C1)F Z53834743 [2,0,0,0,0,0|0,1,0]=3 482 B9R1.1 COC1=CC=C(C=C1)N Z56938150 [2,0,0,0,0,0|1,0,0]=3 483 B9R1.1 COC1=CC=C(C=C1)O Z104474598 [2,0,0,0,0,0|1,0,0]=3 484 B9R1.1 COC1=CN=C(C=C1)C Z1198232754 [2,0,0,0,0,0|2,0,0]=4 485 B9R1.1 COC1=NC=C(C=C1)Br Z808608370 [2,0,0,0,0,0|1,1,0]=4 486 B9R1.1 COC1=NC=C(C=C1)Cl Z1094698482 [2,0,0,0,0,0|1,0,0]=3 487 B9R1.1 COC1=NC=C(C=C1)N Z56899049 [2,0,0,0,0,0|2,0,0]=4 488 B9R1.1 COC1=NC=C(C=C1)O Z1201623942 [2,0,0,0,0,0|2,0,0]=4 489 B9R1.1 CSC1=CC=C(C=C1)N Z104511114 [2,0,0,0,0,0|1,1,0]=4 490 B9R1.1 FC1=CC=C(C=C1)CBr Z89269613 [2,0,0,0,0,0|1,1,0]=4 491 B9R1.1 N#CC1=CC=C(C=C1)Cl Z56942044 [2,0,0,0,0,0|1,0,1]=4 492 B9R1.1 NC1=NC=C(C=C1)CO Z960446254 [2,0,0,0,0,0|2,0,0]=4 493 B9R1.1 NCC1=CC=C(C=C1)F Z54748266 [2,0,0,0,0,0|1,1,0]=4 494 B9R1.1 NCC1=CC=C(C=C1)O Z235348101 [2,0,0,0,0,0|2,0,0]=4 495 B9R1.1 NCC1=CN=C(C=C1)Cl Z247612574 [2,0,0,0,0,0|2,0,0]=4 496 B9R1.1 NCC1=NC=C(C=C1)Cl Z636367336 [2,0,0,0,0,0|2,0,0]=4 497 B9R1.1 NNC1=CC=C(C=C1)Cl Z56776889 [2,0,0,0,0,0|2,0,0]=4 498 B9R1.1 O=CC1=CC=C(C=C1)Cl Z57772447 [2,0,0,0,0,0|0,0,2]=4 499 B9R1.1 OCC1=CC=C(C=C1)Br Z335244742 [2,0,0,0,0,0|0,1,0]=3 500 B9R1.1 OCC1=CC=C(C=C1)Cl Z104478032 [2,0,0,0,0,0|0,0,0]=2 501 B9R1.1 OCC1=CC=C(C=C1)F Z104477460 [2,0,0,0,0,0|0,1,0]=3 502 B9R1.1 OCC1=CC=C(C=C1)I Z385370342 [2,0,0,0,0,0|0,1,0]=3 503 B9R1.1 OCC1=NC=C(C=C1)Br Z1065600752 [2,0,0,0,0,0|1,1,0]=4 504 B9R1.1 OCC1=NC=C(C=C1)Cl Z1198272591 [2,0,0,0,0,0|1,0,0]=3 505 B9R1.1 OCC1=NC=C(C=C1)O Z1217915045 [2,0,0,0,0,0|2,0,0]=4 506 B9R1.1 OCC1=NN=C(C=C1)Cl Z2418413578 [2,0,0,0,0,0|2,0,0]=4 507 B9R1.1 SCC1=CC=C(C=C1)Cl Z55948216 [2,0,0,0,0,0|0,1,0]=3 508 B9R1.8 CCCC1=CC=CC=C1 Z104479154 [2,0,0,0,0,0|1,0,0]=3 509 B9R1.8 CCCC1=NC=CC=C1 Z1255434741 [2,0,0,0,0,0|2,0,0]=4 510 B9R1.8 CCNC1=CC=CC=C1 Z104472482 [2,0,0,0,0,0|1,0,0]=3 511 B9R1.8 CCNC1=CC=NC=C1 Z359297730 [2,0,0,0,0,0|2,0,0]=4 512 B9R1.8 CCNC1=CN=CC=C1 Z334882416 [2,0,0,0,0,0|2,0,0]=4 513 B9R1.8 CCSC1=CC=NC=C1 Z1376454759 [2,0,0,0,0,0|1,1,0]=4 514 B9R1.8 N#COC1=CC=CC=C1 Z1198165353 [2,0,0,0,0,0|1,0,1]=4 515 B9R1.8 NCCC1=CC=NC=C1 Z241056520 [2,0,0,0,0,0|2,0,0]=4 516 B9R1.8 NCCC1=CN=CC=C1 Z241056524 [2,0,0,0,0,0|2,0,0]=4 517 B9R1.8 NCCC1=NC=CC=C1 Z104478200 [2,0,0,0,0,0|2,0,0]=4 518 B9R1.8 NNCC1=CC=CC=C1 Z56969306 [2,0,0,0,0,0|2,0,0]=4 519 B9R1.8 NOCC1=CC=CC=C1 Z90668722 [2,0,0,0,0,0|2,0,0]=4 520 B9R1.8 O=CCC1=CC=CC=C1 Z104472146 [2,0,0,0,0,0|0,0,2]=4 521 B9R1.8 OCCC1=CC=CC=C1 Z104473586 [2,0,0,0,0,0|0,0,0]=2 522 B9R1.8 OCCC1=CN=CC=C1 Z992949518 [2,0,0,0,0,0|1,0,0]=3 523 B9R1.8 OCCC1=NC=CC=C1 Z104473592 [2,0,0,0,0,0|1,0,0]=3 524 B9R1.8 OCCC1=NC=CN=C1 Z234895105 [2,0,0,0,0,0|2,0,0]=4 525 B9R1.8 OCCC1=NC=NC=C1 Z1250886882 [2,0,0,0,0,0|2,0,0]=4 526 B11R1.20 C/[N+](=C/C1=CC=C(C=C1)Cl)/[O-] Z57107890 [1,1,0,0,0,0|2,0,0]=4 527 B11R1.20 CC(=O)NC1=CC=C(C=C1)Cl Z28161730 [1,1,0,0,0,0|1,0,1]=4 528 B11R1.20 CC(=O)OC1=CC=C(C=C1)O Z1198155166 [1,1,0,0,0,0|1,0,1]=4 529 B11R1.20 CC(C)CC1=CC=C(C=C1)N Z1463350056 [1,1,0,0,0,0|2,0,0]=4 530 B11R1.20 CC(C)NC1=CC=C(C=C1)Cl Z993967140 [1,1,0,0,0,0|1,0,0]=3 531 B11R1.20 CC(C)NC1=CC=C(C=C1)F Z266481896 [1,1,0,0,0,0|1,1,0]=4 532 B11R1.20 CC(C)OC1=CC=C(C=C1)Br Z53834735 [1,1,0,0,0,0|0,1,0]=3 533 B11R1.20 CC(C)OC1=CC=C(C=C1)I Z54181200 [1,1,0,0,0,0|0,1,0]=3 534 B11R1.20 CC(C)OC1=NC=C(C=C1)Br Z808608768 [1,1,0,0,0,0|1,1,0]=4 535 B11R1.20 CC(N)CC1=CC=C(C=C1)O Z57102382 [1,1,0,0,0,0|2,0,0]=4 536 B11R1.20 CC1=CC=C(C=C1)CC(=O)O Z104507548 [1,1,0,0,0,0|1,0,1]=4 537 B11R1.20 CC1=CC=C(C=C1)NC(C)C Z992717194 [1,1,0,0,0,0|2,0,0]=4 538 B11R1.20 CC1=CC=C(C=C1)OC(C)C Z53834229 [1,1,0,0,0,0|1,0,0]=3 539 B11R1.20 FC(F)SC1=CC=C(C=C1)Cl Z55625938 [1,1,0,0,0,0|1,1,0]=4 540 B11R1.20 FC1=CC=C(C=C1)OC(F)F Z55671914 [1,1,0,0,0,0|1,1,0]=4 541 B11R1.20 NC(=O)CC1=CC=C(C=C1)Cl Z33546677 [1,1,0,0,0,0|0,0,2]=4 542 B11R1.20 NC1=CC=C(C=C1)CC(=O)O Z104481066 [1,1,0,0,0,0|1,0,1]=4 543 B11R1.20 NC1=CC=C(C=C1)OC(F)F Z56899041 [1,1,0,0,0,0|2,0,0]=4 544 B11R1.20 O=C(Cl)CC1=CC=C(C=C1)Cl Z217293314 [1,1,0,0,0,0|0,0,2]=4 545 B11R1.20 O=C(O)CC1=CC=C(C=C1)Br Z90121253 [1,1,0,0,0,0|0,1,1]=4 546 B11R1.20 O=C(O)CC1=CC=C(C=C1)Cl Z104477676 [1,1,0,0,0,0|0,0,1]=3 547 B11R1.20 O=C(O)CC1=CC=C(C=C1)F Z104477312 [1,1,0,0,0,0|0,1,1]=4 548 B11R1.20 O=C(O)CC1=CN=C(C=C1)Cl Z1165304038 [1,1,0,0,0,0|1,0,1]=4 549 B11R1.22 C=C(CO)C1=CC=C(C=C1)C Z1896562587 [1,1,0,0,0,0|1,0,1]=4 550 B11R1.22 CC(C#N)C1=CC=C(C=C1)Cl Z1198147665 [1,1,0,0,0,0|1,0,1]=4 551 B11R1.22 CC(C=O)C1=CC=C(C=C1)Cl Z1198334992 [1,1,0,0,0,0|0,0,2]=4 552 B11R1.22 CC(CN)C1=CC=C(C=C1)Br Z2906280360 [1,1,0,0,0,0|1,1,0]=4 553 B11R1.22 CC(CN)C1=CC=C(C=C1)F Z415654954 [1,1,0,0,0,0|1,1,0]=4 554 B11R1.22 CC(CO)C1=CC=C(C=C1)F Z1255440783 [1,1,0,0,0,0|0,1,0]=3 555 B11R1.22 CC1=CC=C(C=C1)C(=O)CO Z228585628 [1,1,0,0,0,0|1,0,1]=4 556 B11R1.22 CC1=CC=C(C=C1)C(C)CN Z415654970 [1,1,0,0,0,0|2,0,0]=4 557 B11R1.22 CC1=CC=C(C=C1)C(N)CF Z2474474695 [1,1,0,0,0,0|2,0,0]=4 558 B11R1.22 CC1=CC=C(C=C1)C(N)CO Z5087131901 [1,1,0,0,0,0|1,0,0]=3 559 B11R1.22 CC1=CC=C(C=C1)C(O)CN Z336086536 [1,1,0,0,0,0|2,0,0]=4 560 B11R1.22 CC1=CC=C(C=C1)[C@@H](O)CN Z1895741843 [1,1,0,0,0,0|2,0,0]=4 561 B11R1.22 CCC(=O)C1=CC=C(C=C1)Br Z104485724 [1,1,0,0,0,0|1,1,0]=4 562 B11R1.22 CCC(=O)C1=CC=C(C=C1)Cl Z104477486 [1,1,0,0,0,0|1,0,0]=3 563 B11R1.22 CCC(=O)C1=CC=C(C=C1)F Z104477898 [1,1,0,0,0,0|1,1,0]=4 564 B11R1.22 CCC(=O)C1=CC=C(C=C1)I Z285137052 [1,1,0,0,0,0|1,1,0]=4 565 B11R1.22 CCC(=O)C1=CC=C(C=C1)N Z1203578051 [1,1,0,0,0,0|2,0,0]=4 566 B11R1.22 CCC(=O)C1=CC=C(C=C1)O Z104499156 [1,1,0,0,0,0|2,0,0]=4 567 B11R1.22 CCC(C)C1=CC=C(C=C1)O Z104484172 [1,1,0,0,0,0|2,0,0]=4 568 B11R1.22 CCC(N)C1=CC=C(C=C1)Br Z90662172 [1,1,0,0,0,0|1,1,0]=4 569 B11R1.22 CCC(N)C1=CC=C(C=C1)C Z90662186 [1,1,0,0,0,0|2,0,0]=4 570 B11R1.22 CCC(N)C1=CC=C(C=C1)Cl Z221421644 [1,1,0,0,0,0|1,0,0]=3 571 B11R1.22 CCC(O)C1=CC=C(C=C1)C Z228586316 [1,1,0,0,0,0|2,0,0]=4 572 B11R1.22 CCC(O)C1=CC=C(C=C1)Cl Z228586168 [1,1,0,0,0,0|1,0,0]=3 573 B11R1.22 CCC(O)C1=CC=C(C=C1)F Z228586174 [1,1,0,0,0,0|1,1,0]=4 574 B11R1.22 CCC(O)C1=CC=C(C=C1)O Z228586170 [1,1,0,0,0,0|2,0,0]=4 575 B11R1.22 CCS(=O)C1=CC=C(C=C1)F Z1154828228 [1,1,0,0,0,0|0,2,0]=4 576 B11R1.22 CC[C@@H](N)C1=CC=C(C=C1)F Z1626921240 [1,1,0,0,0,0|1,1,0]=4 577 B11R1.22 CC[C@H](N)C1=CC=C(C=C1)F Z1625822291 [1,1,0,0,0,0|1,1,0]=4 578 B11R1.22 CNC(=O)C1=CC=C(C=C1)Cl Z32016366 [1,1,0,0,0,0|2,0,0]=4 579 B11R1.22 CNC(C)C1=CC=C(C=C1)Cl Z159528172 [1,1,0,0,0,0|2,0,0]=4 580 B11R1.22 N#CC(N)C1=CC=C(C=C1)Cl Z1262246247 [1,1,0,0,0,0|1,0,1]=4 581 B11R1.22 N/C(=N\O)/C1=CC=C(C=C1)Cl Z57627739 [1,1,0,0,0,0|1,0,1]=4 582 B11R1.22 NC(CF)C1=CC=C(C=C1)Cl Z1510155807 [1,1,0,0,0,0|1,0,0]=3 583 B11R1.22 NC(CO)C1=CC=C(C=C1)Br Z2188171600 [1,1,0,0,0,0|0,1,0]=3 584 B11R1.22 NC(CO)C1=CC=C(C=C1)F Z1268152327 [1,1,0,0,0,0|0,1,0]=3 585 B11R1.22 NCC(=O)C1=CC=C(C=C1)Cl Z56928681 [1,1,0,0,0,0|1,0,1]=4 586 B11R1.22 NCC(O)C1=CC=C(C=C1)Cl Z295878600 [1,1,0,0,0,0|1,0,0]=3 587 B11R1.22 O=C(CBr)C1=CC=C(C=C1)Cl Z104484576 [1,1,0,0,0,0|1,0,1]=4 588 B11R1.22 O=C(CCl)C1=CC=C(C=C1)Cl Z104477840 [1,1,0,0,0,0|1,0,1]=4 589 B11R1.22 O=C(CO)C1=CC=C(C=C1)Cl Z906206720 [1,1,0,0,0,0|0,0,1]=3 590 B11R1.22 O=C(NO)C1=CC=C(C=C1)Cl Z59181938 [1,1,0,0,0,0|1,0,1]=4 591 B11R1.81 CC1=C(C=CC(=C1)Cl)CC#N Z1198263432 [1,1,0,0,0,0|1,0,1]=4 592 B11R1.81 CC1=C(C=CC(=C1)F)CCN Z959351734 [1,1,0,0,0,0|1,1,0]=4 593 B11R1.81 CC1=CC(=C(C=C1)CCN)Br Z4658970056 [1,1,0,0,0,0|2,0,0]=4 594 B11R1.81 CC1=CC(=C(C=C1)CCN)C Z285143724 [1,1,0,0,0,0|2,0,0]=4 595 B11R1.81 CC1=CC(=C(C=C1)CCN)Cl Z5010254329 [1,1,0,0,0,0|2,0,0]=4 596 B11R1.81 CC1=CC(=C(N=C1)CCO)C Z1504687585 [1,1,0,0,0,0|2,0,0]=4 597 B11R1.81 CCNC1=C(C=C(C=C1)C)C Z744754524 [1,1,0,0,0,0|2,0,0]=4 598 B11R1.81 CCNC1=C(C=C(C=C1)C)N Z394649004 [1,1,0,0,0,0|2,0,0]=4 599 B11R1.81 CCNC1=C(C=C(C=C1)Cl)Cl Z4201362307 [1,1,0,0,0,0|1,0,0]=3 600 B11R1.81 CCNC1=C(C=C(C=C1)F)N Z359511462 [1,1,0,0,0,0|1,1,0]=4 601 B11R1.81 CCOC1=C(C=C(C=C1)Br)N Z330803642 [1,1,0,0,0,0|0,1,0]=3 602 B11R1.81 CCOC1=C(C=C(C=C1)Cl)N Z234894877 [1,1,0,0,0,0|0,0,0]=2 603 B11R1.81 CCOC1=C(C=C(C=C1)F)Br Z55027547 [1,1,0,0,0,0|0,1,0]=3 604 B11R1.81 CCOC1=C(C=C(C=C1)F)N Z332375936 [1,1,0,0,0,0|0,1,0]=3 605 B11R1.81 CCOC1=C(C=C(C=C1)N)C Z385462628 [1,1,0,0,0,0|1,0,0]=3 606 B11R1.81 CCOC1=C(C=C(C=C1)N)Cl Z239873338 [1,1,0,0,0,0|1,0,0]=3 607 B11R1.81 CCOC1=C(C=C(C=C1)N)F Z362635048 [1,1,0,0,0,0|1,0,0]=3 608 B11R1.81 CCOC1=C(C=C(C=N1)C)N Z1270646056 [1,1,0,0,0,0|2,0,0]=4 609 B11R1.81 CCOC1=C(N=C(C=C1)N)C Z2583036218 [1,1,0,0,0,0|2,0,0]=4 610 B11R1.81 CCSC1=C(C=C(C=C1)Cl)N Z319450478 [1,1,0,0,0,0|0,1,0]=3 611 B11R1.81 CNCC1=C(C=C(C=C1)Cl)Br Z5214955384 [1,1,0,0,0,0|2,0,0]=4 612 B11R1.81 CNCC1=C(C=C(C=C1)Cl)Cl Z56959746 [1,1,0,0,0,0|2,0,0]=4 613 B11R1.81 CNCC1=C(C=C(C=C1)Cl)F Z385446922 [1,1,0,0,0,0|2,0,0]=4 614 B11R1.81 N#CCC1=C(C=C(C=C1)Cl)Br Z1269120223 [1,1,0,0,0,0|1,0,1]=4 615 B11R1.81 N#CCC1=C(C=C(C=C1)Cl)Cl Z104477208 [1,1,0,0,0,0|1,0,1]=4 616 B11R1.81 N#CCC1=C(C=C(C=C1)Cl)F Z1201620925 [1,1,0,0,0,0|1,0,1]=4 617 B11R1.81 NC1=CC(=C(C=C1)CCO)F Z1255436579 [1,1,0,0,0,0|1,0,0]=3 618 B11R1.81 NCCC1=C(C=C(C=C1)Br)Cl Z4668045321 [1,1,0,0,0,0|1,1,0]=4 619 B11R1.81 NCCC1=C(C=C(C=C1)Br)F Z405046450 [1,1,0,0,0,0|1,1,0]=4 620 B11R1.81 NCCC1=C(C=C(C=C1)Cl)Br Z2941505410 [1,1,0,0,0,0|1,0,0]=3 621 B11R1.81 NCCC1=C(C=C(C=C1)F)Cl Z1267881686 [1,1,0,0,0,0|1,1,0]=4 622 B11R1.81 NCCC1=C(C=C(C=C1)F)F Z285143768 [1,1,0,0,0,0|1,1,0]=4 623 B11R1.81 NCCC1=C(C=C(C=C1)O)O Z1166113553 [1,1,0,0,0,0|2,0,0]=4 624 B11R1.81 NNCC1=C(C=C(C=C1)Cl)Cl Z367452298 [1,1,0,0,0,0|2,0,0]=4 625 B11R1.81 O/N=C/C1=C(C=C(C=C1)Cl)Cl Z49568347 [1,1,0,0,0,0|1,0,1]=4 626 B11R1.81 O=CCC1=C(C=C(C=C1)Cl)Cl Z1183459048 [1,1,0,0,0,0|0,0,2]=4 627 B11R1.81 OCCC1=C(C=C(C=C1)F)F Z1020790240 [1,1,0,0,0,0|0,1,0]=3 628 B11R1.81 OCCC1=C(C=C(C=C1)O)O Z1513827466 [1,1,0,0,0,0|1,0,0]=3 629 B11R1.83 C#CC1=CC=C(C=C1)CCN Z4634952920 [1,1,0,0,0,0|2,0,0]=4 630 B11R1.83 C#CC1=CC=C(C=C1)OCC Z1080385490 [1,1,0,0,0,0|1,0,0]=3 631 B11R1.83 C#CC1=CN=C(C=C1)OCC Z1255495748 [1,1,0,0,0,0|2,0,0]=4 632 B11R1.83 CCC1=CC=C(C=C1)CCN Z285143808 [1,1,0,0,0,0|2,0,0]=4 633 B11R1.83 CCC1=CC=C(C=C1)CCO Z992949606 [1,1,0,0,0,0|1,0,0]=3 634 B11R1.83 CCCC1=CC=C(C=C1)C=O Z147641436 [1,1,0,0,0,0|2,0,0]=4 635 B11R1.83 CCNC1=CC=C(C=C1)C#N Z126933712 [1,1,0,0,0,0|2,0,0]=4 636 B11R1.83 CCNC1=CC=C(C=C1)CC Z286410160 [1,1,0,0,0,0|2,0,0]=4 637 B11R1.83 CCNC1=CC=C(C=C1)CN Z954985480 [1,1,0,0,0,0|2,0,0]=4 638 B11R1.83 CCNC1=CC=C(C=C1)OC Z286371004 [1,1,0,0,0,0|2,0,0]=4 639 B11R1.83 CCOC1=CC=C(C=C1)C#N Z53834532 [1,1,0,0,0,0|1,0,0]=3 640 B11R1.83 CCOC1=CC=C(C=C1)C=O Z53833126 [1,1,0,0,0,0|1,0,0]=3 641 B11R1.83 CCOC1=CC=C(C=C1)NC Z335255846 [1,1,0,0,0,0|1,0,0]=3 642 B11R1.83 CCOC1=CN=C(C=C1)C=O Z1255437994 [1,1,0,0,0,0|2,0,0]=4 643 B11R1.83 CCOC1=NC=C(C=C1)C#N Z295203536 [1,1,0,0,0,0|2,0,0]=4 644 B11R1.83 CCOC1=NC=C(C=C1)C=O Z1198331588 [1,1,0,0,0,0|2,0,0]=4 645 B11R1.83 CCSC1=CC=C(C=C1)C#N Z332378580 [1,1,0,0,0,0|1,1,0]=4 646 B11R1.83 COC1=CC=C(C=C1)CCN Z104476454 [1,1,0,0,0,0|2,0,0]=4 647 B11R1.83 N#CC1=CC=C(C=C1)CCN Z1741971794 [1,1,0,0,0,0|2,0,0]=4 648 B11R1.83 N#CC1=CC=C(C=C1)CCO Z964982550 [1,1,0,0,0,0|1,0,0]=3 649 B11R1.83 NCCC1=CC=C(C=C1)CO Z3243654196 [1,1,0,0,0,0|2,0,0]=4 650 B11R1.83 O=CC1=CC=C(C=C1)CCF Z1813165432 [1,1,0,0,0,0|2,0,0]=4 651 B11R1.83 O=CC1=CC=C(C=C1)OCF Z4875012342 [1,1,0,0,0,0|2,0,0]=4 652 B11R1.192 CC1=C(C=C(C=C1)CCN)C Z2526366647 [1,1,0,0,0,0|2,0,0]=4 653 B11R1.192 CC1=C(C=C(C=C1)CCN)Cl Z4330614334 [1,1,0,0,0,0|2,0,0]=4 654 B11R1.192 CC1=C(C=CC(=C1)CCN)Br Z1269233616 [1,1,0,0,0,0|1,1,0]=4 655 B11R1.192 CC1=C(C=CC(=C1)CCN)Cl Z1198178622 [1,1,0,0,0,0|1,0,0]=3 656 B11R1.192 CC1=C(C=CC(=C1)CCN)F Z1682072426 [1,1,0,0,0,0|1,1,0]=4 657 B11R1.192 CCNC1=CC(=C(C=C1)C)C Z5214919889 [1,1,0,0,0,0|2,0,0]=4 658 B11R1.192 CCNC1=CC(=C(C=C1)C)F Z2306658828 [1,1,0,0,0,0|2,0,0]=4 659 B11R1.192 CCNC1=CC(=C(C=C1)F)C Z2756154226 [1,1,0,0,0,0|1,1,0]=4 660 B11R1.192 CCNC1=CC(=C(C=C1)F)Cl Z286408112 [1,1,0,0,0,0|1,1,0]=4 661 B11R1.192 CCNC1=CC(=C(C=C1)F)F Z334934070 [1,1,0,0,0,0|1,1,0]=4 662 B11R1.192 CCOC1=CC(=C(C=C1)Br)F Z1185888453 [1,1,0,0,0,0|0,1,0]=3 663 B11R1.192 CCOC1=CC(=C(C=C1)Cl)N Z1255357315 [1,1,0,0,0,0|0,0,0]=2 664 B11R1.192 CCOC1=CC(=C(C=C1)N)F Z2327883785 [1,1,0,0,0,0|1,0,0]=3 665 B11R1.192 CNCC1=CC(=C(C=C1)Cl)Cl Z56963342 [1,1,0,0,0,0|2,0,0]=4 666 B11R1.192 CSCC1=CC(=C(C=C1)Cl)N Z732207352 [1,1,0,0,0,0|2,0,0]=4 667 B11R1.192 N#CCC1=CC(=C(C=C1)Cl)Cl Z111875426 [1,1,0,0,0,0|1,0,1]=4 668 B11R1.192 NCCC1=CC(=C(C=C1)Br)Cl Z5222342336 [1,1,0,0,0,0|1,1,0]=4 669 B11R1.192 NCCC1=CC(=C(C=C1)Cl)Cl Z285143770 [1,1,0,0,0,0|1,0,0]=3 670 B11R1.192 NCCC1=CC(=C(C=C1)Cl)F Z2681241887 [1,1,0,0,0,0|1,0,0]=3 671 B11R1.192 NCCC1=CC(=C(C=C1)F)Br Z752370708 [1,1,0,0,0,0|1,1,0]=4 672 B11R1.192 NCCC1=CC(=C(C=C1)F)Cl Z4607148848 [1,1,0,0,0,0|1,1,0]=4 673 B11R1.192 NCCC1=CC(=C(C=C1)F)F Z1695670002 [1,1,0,0,0,0|1,1,0]=4 674 B11R1.192 NCCC1=CC(=C(C=C1)O)O Z104474032 [1,1,0,0,0,0|2,0,0]=4 675 B11R1.192 O/N=C/C1=CC(=C(C=C1)Cl)Cl Z49568460 [1,1,0,0,0,0|1,0,1]=4 676 B11R1.192 OCCC1=CC(=C(C=C1)Br)F Z1450935429 [1,1,0,0,0,0|0,1,0]=3 677 B11R1.192 OCCC1=CC(=C(C=C1)F)F Z1020788674 [1,1,0,0,0,0|0,1,0]=3 678 B11R1.192 OCCC1=CC(=C(C=C1)O)Cl Z1250886915 [1,1,0,0,0,0|1,0,0]=3 679 B11R1.16 CCCC(=O)C1=CC=CC=C1 Z104477742 [1,1,0,0,0,0|2,0,0]=4 680 B11R1.16 CCCC(O)C1=CC=CC=C1 Z335244704 [1,1,0,0,0,0|2,0,0]=4 681 B11R1.16 CN(CCN)C1=CC=CC=C1 Z154669318 [1,1,0,0,0,0|2,0,0]=4 682 B11R1.16 CN(CCO)C1=CC=CC=C1 Z138702688 [1,1,0,0,0,0|1,0,0]=3 683 B11R1.16 CN(CCO)C1=NC=CC=C1 Z54633859 [1,1,0,0,0,0|2,0,0]=4 684 B11R1.16 NC(CCO)C1=CC=CC=C1 Z382816560 [1,1,0,0,0,0|1,0,0]=3 685 B11R1.16 NCCC(O)C1=CC=CC=C1 Z1020673398 [1,1,0,0,0,0|2,0,0]=4 686 B11R1.16 NCCS(=O)C1=CC=CC=C1 Z1266854955 [1,1,0,0,0,0|1,1,0]=4 687 B11R1.16 O=C(CCCl)C1=CC=CC=C1 Z1065610596 [1,1,0,0,0,0|2,0,0]=4 688 B11R1.16 O=C(NCO)C1=CC=CC=C1 Z56799838 [1,1,0,0,0,0|2,0,0]=4 689 B11R1.16 O=S(CCCl)C1=CC=CC=C1 Z421771494 [1,1,0,0,0,0|1,1,0]=4 690 B11R1.16 O[C@@H](CCCl)C1=CC=CC=C1 Z1255427232 [1,1,0,0,0,0|2,0,0]=4 691 B11R1.16 O[C@H](CCCl)C1=CC=CC=C1 Z1255356297 [1,1,0,0,0,0|2,0,0]=4 692 B11R1.17 C#CCOC1=C(C=CC=C1)Cl Z54471915 [1,1,0,0,0,0|1,0,1]=4 693 B11R1.17 C#CCOC1=C(C=CC=C1)F Z54554294 [1,1,0,0,0,0|1,0,1]=4 694 B11R1.17 C#CCOC1=C(C=CC=C1)N Z730514548 [1,1,0,0,0,0|1,0,1]=4 695 B11R1.17 C#CCOC1=C(C=CC=C1)O Z381415368 [1,1,0,0,0,0|1,0,1]=4 696 B11R1.17 CC1=C(C=CC=C1)CCCN Z424782962 [1,1,0,0,0,0|2,0,0]=4 697 B11R1.17 CC1=C(C=CC=C1)CCCO Z979436644 [1,1,0,0,0,0|1,0,0]=3 698 B11R1.17 CC1=C(C=CC=C1)OCC#N Z53791706 [1,1,0,0,0,0|1,0,1]=4 699 B11R1.17 CC1=C(C=CC=C1)OCCN Z223656356 [1,1,0,0,0,0|1,0,0]=3 700 B11R1.17 CCCNC1=C(C=CC=C1)F Z334942896 [1,1,0,0,0,0|2,0,0]=4 701 B11R1.17 CCCNC1=C(C=CC=C1)N Z94601320 [1,1,0,0,0,0|2,0,0]=4 702 B11R1.17 CCCOC1=C(C=CC=C1)Br Z54722000 [1,1,0,0,0,0|1,0,0]=3 703 B11R1.17 CCCOC1=C(C=CC=C1)N Z56968930 [1,1,0,0,0,0|1,0,0]=3 704 B11R1.17 CCCOC1=C(C=CC=C1)O Z55993120 [1,1,0,0,0,0|1,0,0]=3 705 B11R1.17 ClC1=C(C=CC=C1)OCCBr Z56886267 [1,1,0,0,0,0|1,0,0]=3 706 B11R1.17 N#CCOC1=C(C=CC=C1)Br Z54684411 [1,1,0,0,0,0|1,0,1]=4 707 B11R1.17 NC1=C(C=CC=C1)CCCO Z1198265858 [1,1,0,0,0,0|1,0,0]=3 708 B11R1.17 NC1=C(C=CC=C1)NCCO Z55928991 [1,1,0,0,0,0|1,0,0]=3 709 B11R1.17 NC1=C(C=CC=C1)OCCO Z3445703033 [1,1,0,0,0,0|0,0,0]=2 710 B11R1.17 NCCCC1=C(C=CC=C1)Cl Z1695729033 [1,1,0,0,0,0|2,0,0]=4 711 B11R1.17 NCCCC1=C(C=CC=C1)F Z424783030 [1,1,0,0,0,0|2,0,0]=4 712 B11R1.17 NCCNC1=C(C=CC=C1)N Z991530054 [1,1,0,0,0,0|2,0,0]=4 713 B11R1.17 NCCOC1=C(C=CC=C1)Br Z803145324 [1,1,0,0,0,0|1,0,0]=3 714 B11R1.17 NCCOC1=C(C=CC=C1)Cl Z54747867 [1,1,0,0,0,0|1,0,0]=3 715 B11R1.17 NCCOC1=C(C=CC=C1)F Z1272739857 [1,1,0,0,0,0|1,0,0]=3 716 B11R1.17 NCCOC1=C(C=CC=C1)O Z3217405430 [1,1,0,0,0,0|1,0,0]=3 717 B11R1.17 NCCOC1=C(C=CC=N1)Cl Z1421528240 [1,1,0,0,0,0|2,0,0]=4 718 B11R1.17 NCCSC1=C(C=CC=C1)F Z57971449 [1,1,0,0,0,0|1,1,0]=4 719 B11R1.17 O=C1C=CC=CN1CCCO Z425794816 [1,1,0,0,0,0|2,0,0]=4 720 B11R1.17 OCCCC1=C(C=CC=C1)Br Z992949552 [1,1,0,0,0,0|1,0,0]=3 721 B11R1.17 OCCOC1=C(C=CC=C1)Br Z149303034 [1,1,0,0,0,0|0,0,0]=2 722 B11R1.17 OCCOC1=C(C=CC=C1)F Z425795714 [1,1,0,0,0,0|0,0,0]=2 723 B11R1.17 OCCOC1=C(C=CC=C1)O Z56755902 [1,1,0,0,0,0|0,0,0]=2 724 B11R1.17 OCCSC1=C(C=CC=C1)Br Z149386602 [1,1,0,0,0,0|0,1,0]=3 725 B11R1.17 OCCSC1=C(C=CC=C1)Cl Z149174540 [1,1,0,0,0,0|0,1,0]=3 726 B11R1.17 OCCSC1=C(C=CC=N1)F Z997724398 [1,1,0,0,0,0|1,1,0]=4 727 B11R1.24 BrCCOC1=CC(=CC=C1)Br Z56886268 [1,1,0,0,0,0|1,0,0]=3 728 B11R1.24 C#CCOC1=CC=CC(=C1)Br Z54473729 [1,1,0,0,0,0|1,0,1]=4 729 B11R1.24 C#CCOC1=CC=CC(=C1)C Z54472997 [1,1,0,0,0,0|1,0,1]=4 730 B11R1.24 C#CCOC1=CC=CC(=C1)Cl Z54474446 [1,1,0,0,0,0|1,0,1]=4 731 B11R1.24 C#CCOC1=CC=CC(=C1)F Z54472195 [1,1,0,0,0,0|1,0,1]=4 732 B11R1.24 C#CCOC1=CC=CC(=C1)N Z730509748 [1,1,0,0,0,0|1,0,1]=4 733 B11R1.24 C#CCOC1=CC=CC(=C1)O Z381415784 [1,1,0,0,0,0|1,0,1]=4 734 B11R1.24 C=CCOC1=CC=CC(=C1)N Z274779170 [1,1,0,0,0,0|1,0,1]=4 735 B11R1.24 CC1=CC(=CC=C1)CCCN Z4993130622 [1,1,0,0,0,0|2,0,0]=4 736 B11R1.24 CC1=CC(=CC=C1)CCCO Z979436642 [1,1,0,0,0,0|1,0,0]=3 737 B11R1.24 CC1=CC(=CC=C1)OCCBr Z56886266 [1,1,0,0,0,0|1,0,0]=3 738 B11R1.24 CC1=CC(=CC=C1)OCCN Z85926240 [1,1,0,0,0,0|1,0,0]=3 739 B11R1.24 CC1=CC(=CN=C1)CCCO Z1216820424 [1,1,0,0,0,0|2,0,0]=4 740 B11R1.24 CC1=CC(=NC=C1)NCCO Z1250080924 [1,1,0,0,0,0|2,0,0]=4 741 B11R1.24 CC1=NC(=CC=C1)CCCO Z104479712 [1,1,0,0,0,0|2,0,0]=4 742 B11R1.24 CCCOC1=CC(=CC=C1)Br Z54848718 [1,1,0,0,0,0|1,0,0]=3 743 B11R1.24 CCCOC1=CC(=CC=C1)N Z239604770 [1,1,0,0,0,0|1,0,0]=3 744 B11R1.24 CCCOC1=CC(=CC=C1)O Z381415572 [1,1,0,0,0,0|1,0,0]=3 745 B11R1.24 N#CCOC1=CC=CC(=C1)N Z285182504 [1,1,0,0,0,0|1,0,1]=4 746 B11R1.24 N#CCOC1=CC=CC(=C1)O Z381415714 [1,1,0,0,0,0|1,0,1]=4 747 B11R1.24 NC1=CC(=CC=C1)CCCO Z1198265859 [1,1,0,0,0,0|1,0,0]=3 748 B11R1.24 NC1=CC(=CC=C1)OCCF Z1262657442 [1,1,0,0,0,0|1,0,0]=3 749 B11R1.24 NCCCC1=CC(=CC=C1)Br Z1266823414 [1,1,0,0,0,0|2,0,0]=4 750 B11R1.24 NCCCC1=CC(=CC=C1)Cl Z1262246154 [1,1,0,0,0,0|2,0,0]=4 751 B11R1.24 NCCCC1=CC(=CC=C1)F Z424782946 [1,1,0,0,0,0|2,0,0]=4 752 B11R1.24 NCCCC1=CC(=CC=C1)O Z1895582955 [1,1,0,0,0,0|2,0,0]=4 753 B11R1.24 NCCOC1=CC(=CC=C1)Br Z744843646 [1,1,0,0,0,0|1,0,0]=3 754 B11R1.24 NCCOC1=CC(=CC=C1)Cl Z425484860 [1,1,0,0,0,0|1,0,0]=3 755 B11R1.24 NCCOC1=CC(=CC=C1)F Z381785786 [1,1,0,0,0,0|1,0,0]=3 756 B11R1.24 OCCNC1=CC(=CC=C1)F Z335274246 [1,1,0,0,0,0|1,0,0]=3 757 B11R1.24 OCCOC1=CC(=CC=C1)Br Z335092356 [1,1,0,0,0,0|0,0,0]=2 758 B11R1.24 OCCOC1=CC(=CC=C1)Cl Z149166432 [1,1,0,0,0,0|0,0,0]=2 759 B11R1.24 OCCOC1=CC(=CN=C1)Br Z1206893175 [1,1,0,0,0,0|1,0,0]=3 760 B11R1.24 OCCOC1=NC(=CN=C1)Cl Z332379880 [1,1,0,0,0,0|2,0,0]=4 761 B11R1.28 BrCCCOC1=CC=CC=C1 Z90122132 [1,1,0,0,0,0|1,0,0]=3 762 B11R1.28 C#CCCOC1=CC=CC=C1 Z1143222703 [1,1,0,0,0,0|1,0,0]=3 763 B11R1.28 CCCCCC1=CC=CC=C1 Z199507042 [1,1,0,0,0,0|2,0,0]=4 764 B11R1.28 CCCNCC1=CC=CC=C1 Z56946091 [1,1,0,0,0,0|2,0,0]=4 765 B11R1.28 CCNCCC1=CC=CC=C1 Z444350074 [1,1,0,0,0,0|2,0,0]=4 766 B11R1.28 CCOCCC1=CC=CC=C1 Z1198150519 [1,1,0,0,0,0|2,0,0]=4 767 B11R1.28 CNCCCC1=CC=CC=C1 Z102767020 [1,1,0,0,0,0|2,0,0]=4 768 B11R1.28 CNCCOC1=CC=CC=C1 Z56945505 [1,1,0,0,0,0|1,0,0]=3 769 B11R1.28 COCCNC1=CC=CC=C1 Z266463556 [1,1,0,0,0,0|1,0,0]=3 770 B11R1.28 COCCNC1=CC=NC=C1 Z359297138 [1,1,0,0,0,0|2,0,0]=4 771 B11R1.28 ClCCCOC1=CC=CC=C1 Z275020186 [1,1,0,0,0,0|1,0,0]=3 772 B11R1.28 ClCCNCC1=CC=CC=C1 Z57158447 [1,1,0,0,0,0|2,0,0]=4 773 B11R1.28 N#CCCNC1=CC=CC=C1 Z56915949 [1,1,0,0,0,0|2,0,0]=4 774 B11R1.28 N#CCCOC1=CC=CC=C1 Z54337114 [1,1,0,0,0,0|1,0,0]=3 775 B11R1.28 N#CCOCC1=CC=CC=C1 Z295205356 [1,1,0,0,0,0|1,0,1]=4 776 B11R1.28 NCCCCC1=CC=CC=C1 Z2574929438 [1,1,0,0,0,0|2,0,0]=4 777 B11R1.28 NCCCNC1=CC=CC=C1 Z756919512 [1,1,0,0,0,0|2,0,0]=4 778 B11R1.28 NCCCOC1=CC=CC=C1 Z234895129 [1,1,0,0,0,0|1,0,0]=3 779 B11R1.28 NCCCOC1=CC=NC=C1 Z976694292 [1,1,0,0,0,0|2,0,0]=4 780 B11R1.28 NCCCSC1=CC=CC=C1 Z262222134 [1,1,0,0,0,0|1,1,0]=4 781 B11R1.28 NCCOCC1=CC=CC=C1 Z271005946 [1,1,0,0,0,0|1,0,0]=3 782 B11R1.28 O=CCCCC1=CC=CC=C1 Z993017616 [1,1,0,0,0,0|1,0,1]=4 783 B11R1.28 O=CCOCC1=CC=CC=C1 Z906195396 [1,1,0,0,0,0|0,0,2]=4 784 B11R1.28 OCCCNC1=CC=CC=C1 Z104584292 [1,1,0,0,0,0|1,0,0]=3 785 B11R1.28 OCCCNC1=CC=NC=C1 Z359301948 [1,1,0,0,0,0|2,0,0]=4 786 B11R1.28 OCCCNC1=NC=CC=C1 Z31220937 [1,1,0,0,0,0|2,0,0]=4 787 B11R1.28 OCCCSC1=CC=CC=C1 Z104650330 [1,1,0,0,0,0|0,1,0]=3 788 B11R1.28 OCCNCC1=CN=CC=C1 Z90504502 [1,1,0,0,0,0|2,0,0]=4 789 B11R1.28 OCCOCC1=CC=CC=C1 Z854223062 [1,1,0,0,0,0|0,0,0]=2 790 B11R1.40 CC(C#N)OC1=CC=CC=C1 Z54191740 [1,1,0,0,0,0|1,0,1]=4 791 B11R1.40 CC(CN)NC1=CC=CC=C1 Z1198235985 [1,1,0,0,0,0|2,0,0]=4 792 B11R1.40 CC(CN)OC1=CC=CC=C1 Z1245635737 [1,1,0,0,0,0|1,0,0]=3 793 B11R1.40 CC(CN)SC1=CC=CC=C1 Z844632804 [1,1,0,0,0,0|1,1,0]=4 794 B11R1.40 CCC(N)CC1=CC=CC=C1 Z431980016 [1,1,0,0,0,0|2,0,0]=4 795 B11R1.40 CCC(O)CC1=CC=CC=C1 Z513749284 [1,1,0,0,0,0|2,0,0]=4 796 B11R1.40 CC[C@@H](O)CC1=CC=CC=C1 Z1262397064 [1,1,0,0,0,0|2,0,0]=4 797 B11R1.40 CC[C@H](O)CC1=CC=CC=C1 Z1262397065 [1,1,0,0,0,0|2,0,0]=4 798 B11R1.40 NC(CO)CC1=CC=CC=C1 Z234898263 [1,1,0,0,0,0|1,0,0]=3 799 B11R1.40 NC(CO)CC1=CC=NC=C1 Z1824511267 [1,1,0,0,0,0|2,0,0]=4 800 B11R1.40 NCC(F)CC1=CC=CC=C1 Z2740416678 [1,1,0,0,0,0|2,0,0]=4 801 B11R1.40 NCC(N)CC1=CC=CC=C1 Z425861056 [1,1,0,0,0,0|2,0,0]=4 802 B11R1.40 NCC(O)CC1=CC=CC=C1 Z419084966 [1,1,0,0,0,0|2,0,0]=4 803 B11R1.40 N[C@@H](CO)CC1=CC=CC=C1 Z1157651018 [1,1,0,0,0,0|1,0,0]=3 804 B11R1.40 N[C@H](CO)CC1=CC=CC=C1 Z1741982891 [1,1,0,0,0,0|1,0,0]=3 805 B11R1.40 O=C(CO)NC1=CC=CC=C1 Z228585444 [1,1,0,0,0,0|1,0,1]=4 806 B11R1.91 CC(C)CNC1=CC=CC=C1 Z2092369729 [1,1,0,0,0,0|2,0,0]=4 807 B11R1.91 CC(C)COC1=CN=CC=C1 Z1606818727 [1,1,0,0,0,0|2,0,0]=4 808 B11R1.91 CC(N)CCC1=CC=CC=C1 Z104476462 [1,1,0,0,0,0|2,0,0]=4 809 B11R1.91 CC(N)COC1=CC=CC=C1 Z600397650 [1,1,0,0,0,0|1,0,0]=3 810 B11R1.91 CC(O)CNC1=CC=CC=C1 Z234898271 [1,1,0,0,0,0|1,0,0]=3 811 B11R1.91 C[C@H](N)CCC1=CC=CC=C1 Z5044990030 [1,1,0,0,0,0|2,0,0]=4 812 B11R1.91 N=C(N)COC1=CC=CC=C1 Z1532540938 [1,1,0,0,0,0|1,0,1]=4 813 B11R1.91 NC(=O)COC1=CC=CC=C1 Z19735702 [1,1,0,0,0,0|0,0,2]=4 814 B11R1.91 NC(=S)COC1=CC=CC=C1 Z108595128 [1,1,0,0,0,0|0,1,1]=4 815 B11R1.91 O=C(O)CCC1=CC=CC=C1 Z57127332 [1,1,0,0,0,0|1,0,1]=4 816 B11R1.91 O=C(O)CNC1=CC=CC=C1 Z104496210 [1,1,0,0,0,0|1,0,1]=4 817 B11R1.91 O=C(O)COC1=CC=CC=C1 Z57182011 [1,1,0,0,0,0|0,0,1]=3 818 B11R1.91 O=C(O)COC1=CN=CC=C1 Z1171978878 [1,1,0,0,0,0|1,0,1]=4 819 B11R1.91 O=C(O)CSC1=CC=CC=C1 Z104484982 [1,1,0,0,0,0|0,1,1]=4 820 B11R1.91 OB(O)CCC1=CC=CC=C1 Z1147227790 [1,1,0,0,0,0|2,0,0]=4 821 B13R1.9 CC1=CC=C(C=C1)OCCCCN Z285166766 [0,2,0,0,0,0|2,0,0]=4 822 B13R1.9 CCCCCOC1=CC=C(C=C1)N Z4968222963 [0,2,0,0,0,0|2,0,0]=4 823 B13R1.9 CCCCCOC1=CC=C(C=C1)O Z56899109 [0,2,0,0,0,0|2,0,0]=4 824 B13R1.9 CCNCCOC1=CC=C(C=C1)Br Z1262398522 [0,2,0,0,0,0|1,1,0]=4 825 B13R1.9 CCOCCNC1=CC=C(C=C1)Cl Z2266149364 [0,2,0,0,0,0|1,0,0]=3 826 B13R1.9 CNCCCOC1=CC=C(C=C1)Br Z3002757594 [0,2,0,0,0,0|1,1,0]=4 827 B13R1.9 CNCCCOC1=CC=C(C=C1)F Z394693474 [0,2,0,0,0,0|1,1,0]=4 828 B13R1.9 COCCCNC1=CC=C(C=C1)C Z608346034 [0,2,0,0,0,0|2,0,0]=4 829 B13R1.9 COCCCSC1=CC=C(C=C1)N Z608346568 [0,2,0,0,0,0|1,1,0]=4 830 B13R1.9 COCCNCC1=CC=C(C=C1)F Z86129589 [0,2,0,0,0,0|1,1,0]=4 831 B13R1.9 N#CCCCOC1=CC=C(C=C1)Cl Z54445360 [0,2,0,0,0,0|1,0,0]=3 832 B13R1.9 N#CCCCOC1=CC=C(C=C1)F Z54446522 [0,2,0,0,0,0|1,1,0]=4 833 B13R1.9 NC1=CC=C(C=C1)CCNCCO Z1251358284 [0,2,0,0,0,0|2,0,0]=4 834 B13R1.9 NCCCCCC1=CC=C(C=C1)Cl Z4525234042 [0,2,0,0,0,0|2,0,0]=4 835 B13R1.9 NCCCCOC1=CC=C(C=C1)F Z119967286 [0,2,0,0,0,0|1,1,0]=4 836 B13R1.9 OCCN/N=C/C1=CC=C(C=C1)Br Z56850458 [0,2,0,0,0,0|1,1,0]=4 837 B13R1.9 OCCN/N=C/C1=CC=C(C=C1)Cl Z56850515 [0,2,0,0,0,0|1,0,0]=3 838 B13R1.14 CCC(=O)CSC1=CC=C(C=C1)Cl Z916925670 [0,2,0,0,0,0|1,1,0]=4 839 B13R1.14 CNC(=O)COC1=CC=C(C=C1)Cl Z19727266 [0,2,0,0,0,0|0,0,2]=4 840 B13R1.14 COC(=O)COC1=CC=C(C=C1)Br Z19221314 [0,2,0,0,0,0|0,1,1]=4 841 B13R1.14 COC(=O)COC1=CC=C(C=C1)N Z57469153 [0,2,0,0,0,0|1,0,1]=4 842 B13R1.14 COC(=O)COC1=CC=C(C=C1)O Z1190318463 [0,2,0,0,0,0|1,0,1]=4 843 B13R1.14 COC(C)CNC1=CC=C(C=C1)C Z1647435249 [0,2,0,0,0,0|2,0,0]=4 844 B13R1.14 NCC(O)COC1=CC=C(C=C1)F Z271072308 [0,2,0,0,0,0|0,1,0]=3 845 B13R1.14 NCC(O)COC1=CC=C(C=C1)I Z381428032 [0,2,0,0,0,0|0,1,0]=3 846 B13R1.14 NNC(=O)COC1=CC=C(C=C1)Cl Z56862620 [0,2,0,0,0,0|0,0,2]=4 847 B13R1.14 O=C(CCl)COC1=CC=C(C=C1)Cl Z1269140193 [0,2,0,0,0,0|1,0,0]=3 848 B13R1.14 O=C(CO)NCC1=CC=C(C=C1)Cl Z199532110 [0,2,0,0,0,0|1,0,1]=4 849 B13R1.14 OCC(O)COC1=CC=C(C=C1)Cl Z995094004 [0,2,0,0,0,0|0,0,0]=2 850 B13R1.14 OCC(O)CSC1=NC=C(C=C1)Cl Z1206315772 [0,2,0,0,0,0|1,1,0]=4 851 B13R1.17 CCCOC(=O)C1=CC=C(C=C1)C Z53835724 [0,2,0,0,0,0|2,0,0]=4 852 B13R1.17 CCCOC(=O)C1=CC=C(C=C1)Cl Z53833147 [0,2,0,0,0,0|1,0,0]=3 853 B13R1.17 COCCC(=O)C1=CC=C(C=C1)F Z447807240 [0,2,0,0,0,0|1,1,0]=4 854 B13R1.17 COCCC(N)C1=CC=C(C=C1)Cl Z1416200955 [0,2,0,0,0,0|1,0,0]=3 855 B13R1.17 N#CCCC(=O)C1=CC=C(C=C1)Cl Z440602698 [0,2,0,0,0,0|2,0,0]=4 856 B13R1.17 NC1=CC=C(C=C1)C(=O)NCCO Z390184974 [0,2,0,0,0,0|2,0,0]=4 857 B13R1.17 NCCNC(=O)C1=CC=C(C=C1)Cl Z285139152 [0,2,0,0,0,0|2,0,0]=4 858 B13R1.17 O=C(CCCO)C1=CC=C(C=C1)F Z228585372 [0,2,0,0,0,0|1,1,0]=4 859 B13R1.17 O=C(NCCO)C1=CC=C(C=C1)Cl Z31725206 [0,2,0,0,0,0|1,0,0]=3 860 B13R1.17 O=C(NCCO)C1=CC=C(C=C1)O Z253505576 [0,2,0,0,0,0|2,0,0]=4 861 B13R1.17 OCCCC(O)C1=CC=C(C=C1)F Z1251359270 [0,2,0,0,0,0|1,1,0]=4 862 B13R1.19 O=C(CCCl)NC1=CC=C(C=C1)Cl Z57805686 [0,2,0,0,0,0|2,0,0]=4 863 B13R1.19 O=S(CCO)CC1=CC=C(C=C1)I Z1614747420 [0,2,0,0,0,0|0,2,0]=4 864 B13R1.369 C#CCCOC1=C(C=C(C=C1)Br)C Z1098335017 [0,2,0,0,0,0|1,1,0]=4 865 B13R1.369 CC1=C(C=CC(=C1)Cl)OCCCN Z316909358 [0,2,0,0,0,0|1,0,0]=3 866 B13R1.369 CCCCOC1=C(C=C(C=C1)C)Br Z291788284 [0,2,0,0,0,0|2,0,0]=4 867 B13R1.369 COCCOC1=C(C=C(C=C1)Br)N Z330804850 [0,2,0,0,0,0|0,1,0]=3 868 B13R1.369 COCCOC1=C(C=C(C=C1)F)N Z332376340 [0,2,0,0,0,0|0,1,0]=3 869 B13R1.369 COCCOC1=C(C=C(C=C1)N)Br Z852342608 [0,2,0,0,0,0|1,0,0]=3 870 B13R1.369 COCCOC1=C(C=C(C=C1)N)Cl Z274542020 [0,2,0,0,0,0|1,0,0]=3 871 B13R1.369 COCCOC1=C(C=C(C=C1)N)F Z362635184 [0,2,0,0,0,0|1,0,0]=3 872 B13R1.369 NCCCOC1=C(C=C(C=C1)Cl)Cl Z316909342 [0,2,0,0,0,0|1,0,0]=3 873 B13R1.369 NCCOCC1=C(C=C(C=C1)Cl)Cl Z976679226 [0,2,0,0,0,0|1,0,0]=3 874 B13R1.369 NCCSCC1=C(C=C(C=C1)Cl)Cl Z317061354 [0,2,0,0,0,0|1,1,0]=4 875 B13R1.369 OCCCOC1=C(C=C(C=C1)F)Br Z74091471 [0,2,0,0,0,0|0,1,0]=3 876 B13R1.369 OCCSCC1=C(C=C(C=C1)Br)F Z292821910 [0,2,0,0,0,0|0,2,0]=4 877 B13R1.371 C#CCCOC1=CC=C(C=C1)C=O Z295890412 [0,2,0,0,0,0|2,0,0]=4 878 B13R1.371 CCC1=CC=C(C=C1)OCCC#N Z54336417 [0,2,0,0,0,0|2,0,0]=4 879 B13R1.371 CCCCOC1=CC=C(C=C1)C=O Z57887685 [0,2,0,0,0,0|2,0,0]=4 880 B13R1.371 CCOCOC1=CC=C(C=C1)C=O Z1259228789 [0,2,0,0,0,0|2,0,0]=4 881 B13R1.371 CNC1=CC=C(C=C1)OCCOC Z730522964 [0,2,0,0,0,0|1,0,0]=3 882 B13R1.371 CNCCOC1=CC=C(C=C1)OC Z85917518 [0,2,0,0,0,0|2,0,0]=4 883 B13R1.371 COC1=CC=C(C=C1)COCCN Z335080350 [0,2,0,0,0,0|2,0,0]=4 884 B13R1.371 COC1=CC=C(C=C1)NCCCO Z104638312 [0,2,0,0,0,0|2,0,0]=4 885 B13R1.371 COC1=CC=C(C=C1)OCCC#N Z54336972 [0,2,0,0,0,0|2,0,0]=4 886 B13R1.371 COC1=CC=C(C=C1)OCCCBr Z104508746 [0,2,0,0,0,0|2,0,0]=4 887 B13R1.371 COC1=CC=C(C=C1)OCCCN Z271006116 [0,2,0,0,0,0|2,0,0]=4 888 B13R1.371 COCCNC1=CC=C(C=C1)C#N Z196117852 [0,2,0,0,0,0|2,0,0]=4 889 B13R1.371 COCCNC1=CC=C(C=C1)CN Z906128214 [0,2,0,0,0,0|2,0,0]=4 890 B13R1.371 COCCOC1=CC=C(C=C1)C#N Z167839000 [0,2,0,0,0,0|1,0,0]=3 891 B13R1.371 COCCOC1=CC=C(C=C1)C=O Z242061302 [0,2,0,0,0,0|1,0,0]=3 892 B13R1.371 COCCOC1=CC=C(C=C1)CN Z285182374 [0,2,0,0,0,0|1,0,0]=3 893 B13R1.371 COCCOC1=NC=C(C=C1)CN Z285175470 [0,2,0,0,0,0|2,0,0]=4 894 B13R1.371 N#CC1=CC=C(C=C1)C#CCCO Z1255500716 [0,2,0,0,0,0|2,0,0]=4 895 B13R1.371 N#CC1=CC=C(C=C1)OCCCCl Z275020190 [0,2,0,0,0,0|2,0,0]=4 896 B13R1.371 O=CC1=CC=C(C=C1)OCCCCl Z1198147735 [0,2,0,0,0,0|2,0,0]=4 897 B13R1.513 CC(C)CCOC1=CC=C(C=C1)N Z239604712 [0,2,0,0,0,0|2,0,0]=4 898 B13R1.513 CC(C)CNCC1=CC=C(C=C1)Cl Z3300708565 [0,2,0,0,0,0|2,0,0]=4 899 B13R1.513 CC1=CC=C(C=C1)CCCC(=O)O Z336127890 [0,2,0,0,0,0|2,0,0]=4 900 B13R1.513 CC1=CC=C(C=C1)COCC(=O)O Z2630879936 [0,2,0,0,0,0|1,0,1]=4 901 B13R1.513 CC1=CC=C(C=C1)NCCC(=O)O Z56886521 [0,2,0,0,0,0|2,0,0]=4 902 B13R1.513 CC1=CC=C(C=C1)OCCC(=O)N Z33545286 [0,2,0,0,0,0|1,0,1]=4 903 B13R1.513 CC1=CC=C(C=C1)OCCC(=O)O Z56805738 [0,2,0,0,0,0|1,0,0]=3 904 B13R1.513 CC1=CC=C(C=C1)SCCC(=O)O Z56813260 [0,2,0,0,0,0|1,1,0]=4 905 B13R1.513 CN(C)CCOC1=CC=C(C=C1)Br Z54750477 [0,2,0,0,0,0|1,1,0]=4 906 B13R1.513 CN(C)CCOC1=CC=C(C=C1)N Z239127450 [0,2,0,0,0,0|2,0,0]=4 907 B13R1.513 CN(C)CCOC1=CC=C(C=C1)O Z3484324847 [0,2,0,0,0,0|2,0,0]=4 908 B13R1.513 NC(=O)CCOC1=CC=C(C=C1)N Z382711140 [0,2,0,0,0,0|1,0,1]=4 909 B13R1.513 NC(=O)CCSC1=CC=C(C=C1)Cl Z33545287 [0,2,0,0,0,0|0,1,1]=4 910 B13R1.513 NC1=CC=C(C=C1)CCCC(=O)O Z336079594 [0,2,0,0,0,0|2,0,0]=4 911 B13R1.513 NC1=CC=C(C=C1)OCCC(=O)O Z1259335771 [0,2,0,0,0,0|1,0,0]=3 912 B13R1.513 O=C(O)CCCC1=CC=C(C=C1)Br Z336286028 [0,2,0,0,0,0|1,1,0]=4 913 B13R1.513 O=C(O)CCCC1=CC=C(C=C1)Cl Z336286026 [0,2,0,0,0,0|1,0,0]=3 914 B13R1.513 O=C(O)CCCC1=CC=C(C=C1)F Z336285992 [0,2,0,0,0,0|1,1,0]=4 915 B13R1.513 O=C(O)CCCC1=CC=C(C=C1)O Z1201617656 [0,2,0,0,0,0|2,0,0]=4 916 B13R1.513 O=C(O)CCOC1=CC=C(C=C1)Br Z240085156 [0,2,0,0,0,0|0,1,0]=3 917 B13R1.513 O=C(O)CCOC1=CC=C(C=C1)Cl Z57229608 [0,2,0,0,0,0|0,0,0]=2 918 B13R1.513 O=C(O)CCOC1=CC=C(C=C1)F Z240085178 [0,2,0,0,0,0|0,1,0]=3 919 B13R1.513 O=C(O)CCSC1=CC=C(C=C1)Br Z102925164 [0,2,0,0,0,0|0,2,0]=4 920 B13R1.513 O=C(O)CCSC1=CC=C(C=C1)Cl Z56812813 [0,2,0,0,0,0|0,1,0]=3 921 B13R1.513 O=C(O)CCSC1=CC=C(C=C1)F Z90123554 [0,2,0,0,0,0|0,2,0]=4 922 B13R1.513 O=C(O)CNCC1=CC=C(C=C1)Cl Z1259339984 [0,2,0,0,0,0|1,0,1]=4 923 B13R1.513 O=C(O)CSCC1=CC=C(C=C1)Cl Z19691775 [0,2,0,0,0,0|0,1,1]=4 924 B13R1.669 CC1=C(C=C(C=C1)CCCCO)C Z1198339107 [0,2,0,0,0,0|2,0,0]=4 925 B13R1.669 CC1=C(C=C(C=C1)OCCCO)C Z425795786 [0,2,0,0,0,0|1,0,0]=3 926 B13R1.669 CC1=C(C=CC(=C1)NCCC#N)Cl Z56938003 [0,2,0,0,0,0|2,0,0]=4 927 B13R1.669 CCCCOC1=CC(=C(C=C1)N)C Z239604798 [0,2,0,0,0,0|2,0,0]=4 928 B13R1.669 CNCCOC1=CC(=C(C=C1)Cl)Cl Z237479002 [0,2,0,0,0,0|1,0,0]=3 929 B13R1.669 COCCOC1=CC(=C(C=C1)N)C Z594413780 [0,2,0,0,0,0|1,0,0]=3 930 B13R1.669 O=CCCCC1=CC(=C(C=C1)Cl)Cl Z1233207931 [0,2,0,0,0,0|1,0,1]=4 931 B13R1.669 O=CCCOC1=CC(=C(C=C1)Cl)Cl Z1080367810 [0,2,0,0,0,0|0,0,1]=3 932 B13R1.669 OCCNCC1=CC(=C(C=C1)Cl)Cl Z90504544 [0,2,0,0,0,0|1,0,0]=3 933 B13R1.669 OCCNCC1=CC(=C(C=C1)F)Br Z90504976 [0,2,0,0,0,0|1,1,0]=4 934 B13R1.669 OCCNCC1=CC(=C(C=C1)F)F Z90504971 [0,2,0,0,0,0|1,1,0]=4 935 B13R1.1 CCN(CCO)C1=CC=C(C=C1)N Z752989138 [0,2,0,0,0,0|2,0,0]=4 936 B13R1.21 CCC(C)C(N)C1=CC=C(C=C1)Cl Z291232760 [0,2,0,0,0,0|2,0,0]=4 937 B13R1.21 NC(CO)C(O)C1=CC=C(C=C1)Cl Z2670838766 [0,2,0,0,0,0|1,0,0]=3 938 B13R1.29 NC1=CC=C(C=C1)S(=O)(=O)CCO Z1268152352 [0,2,0,0,0,0|1,1,0]=4 939 B13R1.29 NCCS(=O)(=O)C1=CC=C(C=C1)Cl Z803145608 [0,2,0,0,0,0|1,1,0]=4 940 B13R1.29 O=S(=O)(CCO)C1=CC=C(C=C1)Br Z431953074 [0,2,0,0,0,0|0,2,0]=4 941 B13R1.29 O=S(=O)(CCO)C1=CC=C(C=C1)Cl Z431953296 [0,2,0,0,0,0|0,1,0]=3 942 B13R1.132 CC(C)CC(=O)C1=CC=C(C=C1)Cl Z385417372 [0,2,0,0,0,0|2,0,0]=4 943 B13R1.132 CC(C)CC(N)C1=CC=C(C=C1)Cl Z291232734 [0,2,0,0,0,0|2,0,0]=4 944 B13R1.132 NC(CC(=O)O)C1=CC=C(C=C1)Cl Z56899122 [0,2,0,0,0,0|1,0,1]=4 945 B13R1.132 O=C(O)CC(O)C1=CC=C(C=C1)Cl Z982132070 [0,2,0,0,0,0|1,0,1]=4 946 B13R1.132 O=C(O)CS(=O)C1=CC=C(C=C1)Cl Z802568764 [0,2,0,0,0,0|0,1,1]=4 947 B13R1.452 CN(CCO)C1=CC=C(C=C1)C=O Z104484150 [0,2,0,0,0,0|2,0,0]=4 948 B13R1.466 CCCC(=O)C1=CC(=C(C=C1)Cl)Cl Z389926872 [0,2,0,0,0,0|2,0,0]=4 949 B13R1.466 CCCC(N)C1=CC(=C(C=C1)Cl)Cl Z1262246201 [0,2,0,0,0,0|2,0,0]=4 950 B13R1.466 NC(CCO)C1=CC(=C(C=C1)Cl)F Z979743780 [0,2,0,0,0,0|1,0,0]=3 951 B13R1.466 NCCC(O)C1=CC(=C(C=C1)Cl)Cl Z1258890570 [0,2,0,0,0,0|2,0,0]=4 952 B13R1.1511 CCCC(=O)C1=C(C=C(C=C1)Cl)Cl Z802544640 [0,2,0,0,0,0|2,0,0]=4 953 B13R1.1511 NC(CCO)C1=C(C=C(C=C1)F)F Z3358521054 [0,2,0,0,0,0|1,1,0]=4 954 B13R1.3 CC(C)COC1=CC=C(C=C1)C=O Z53833129 [0,2,0,0,0,0|2,0,0]=4 955 B13R1.3 CC(C)COC1=CC=C(C=C1)CN Z57102877 [0,2,0,0,0,0|2,0,0]=4 956 B13R1.3 CC(C)COC1=CC=C(C=C1)CO Z54649982 [0,2,0,0,0,0|2,0,0]=4 957 B13R1.3 CCC1=CC=C(C=C1)OCC(=O)O Z56824185 [0,2,0,0,0,0|1,0,1]=4 958 B13R1.3 COC1=CC=C(C=C1)OCC(=O)O Z57229609 [0,2,0,0,0,0|1,0,1]=4 959 B13R1.3 N#CC1=CC=C(C=C1)OCC(=O)O Z56823031 [0,2,0,0,0,0|1,0,1]=4 960 B13R1.3 NCC1=CC=C(C=C1)OCC(F)F Z2106603236 [0,2,0,0,0,0|2,0,0]=4 961 B13R1.3 O=C(O)COC1=CC=C(C=C1)CO Z359627548 [0,2,0,0,0,0|1,0,1]=4 962 B13R1.3 O=CC1=CC=C(C=C1)OCC(=O)O Z57305439 [0,2,0,0,0,0|1,0,1]=4 963 B13R1.3 O=CC1=CC=C(C=C1)OCC(F)F Z608352782 [0,2,0,0,0,0|2,0,0]=4 964 B13R1.133 CC(C)C(N)CC1=CC=C(C=C1)Cl Z513796444 [0,2,0,0,0,0|2,0,0]=4 965 B13R1.133 CC(CC1=CC=C(C=C1)Cl)C(=O)O Z513659166 [0,2,0,0,0,0|1,0,1]=4 966 B13R1.133 CC(OC1=CC=C(C=C1)Br)C(=O)O Z56347385 [0,2,0,0,0,0|0,1,1]=4 967 B13R1.133 CC(OC1=CC=C(C=C1)Cl)C(=O)N Z19727416 [0,2,0,0,0,0|0,0,2]=4 968 B13R1.133 CC(OC1=CC=C(C=C1)Cl)C(=O)O Z56922097 [0,2,0,0,0,0|0,0,1]=3 969 B13R1.133 CC(OC1=CC=C(C=C1)F)C(=O)O Z90662162 [0,2,0,0,0,0|0,1,1]=4 970 B13R1.133 CC(SC1=CC=C(C=C1)Cl)C(=O)O Z55179957 [0,2,0,0,0,0|0,1,1]=4 971 B13R1.133 CC1=CC=C(C=C1)OC(C)C(=O)O Z56915889 [0,2,0,0,0,0|1,0,1]=4 972 B13R1.133 C[C@H](OC1=CC=C(C=C1)Cl)C(=O)O Z1508916088 [0,2,0,0,0,0|0,0,1]=3 973 B13R1.133 NC(CC1=CC=C(C=C1)Cl)C(=O)O Z317024982 [0,2,0,0,0,0|1,0,1]=4 974 B13R1.133 N[C@H](CC1=CC=C(C=C1)Cl)C(=O)O Z995228428 [0,2,0,0,0,0|1,0,1]=4 975 B13R1.164 CC(C)COC1=C(C=C(C=C1)N)Cl Z359419772 [0,2,0,0,0,0|2,0,0]=4 976 B13R1.164 CC(N)COC1=C(C=C(C=C1)F)F Z271013710 [0,2,0,0,0,0|1,1,0]=4 977 B13R1.164 CC(O)CNC1=C(C=C(C=N1)Cl)Br Z1763019849 [0,2,0,0,0,0|2,0,0]=4 978 B13R1.164 CC1=C(C=CC(=C1)Cl)OCC(=O)N Z18757418 [0,2,0,0,0,0|0,0,2]=4 979 B13R1.164 CC1=C(C=CC(=C1)Cl)OCC(=O)O Z56824184 [0,2,0,0,0,0|0,0,1]=3 980 B13R1.164 CC1=CC(=C(C=C1)OCC(=O)O)Br Z57203202 [0,2,0,0,0,0|1,0,1]=4 981 B13R1.164 CC1=CC(=C(C=C1)OCC(=O)O)C Z57041994 [0,2,0,0,0,0|1,0,1]=4 982 B13R1.164 NC(=O)COC1=C(C=C(C=C1)Cl)Br Z25078285 [0,2,0,0,0,0|0,0,2]=4 983 B13R1.164 NC(=O)COC1=C(C=C(C=C1)Cl)Cl Z19743974 [0,2,0,0,0,0|0,0,2]=4 984 B13R1.164 O=C(O)CCC1=C(C=C(C=C1)Cl)Br Z1269115792 [0,2,0,0,0,0|1,0,1]=4 985 B13R1.164 O=C(O)CCC1=C(C=C(C=C1)Cl)Cl Z314668406 [0,2,0,0,0,0|1,0,1]=4 986 B13R1.164 O=C(O)CCC1=C(C=C(C=C1)Cl)F Z1269172595 [0,2,0,0,0,0|1,0,1]=4 987 B13R1.164 O=C(O)COC1=C(C=C(C=C1)Br)Cl Z57050133 [0,2,0,0,0,0|0,1,1]=4 988 B13R1.164 O=C(O)COC1=C(C=C(C=C1)Br)F Z56923270 [0,2,0,0,0,0|0,1,1]=4 989 B13R1.164 O=C(O)COC1=C(C=C(C=C1)Cl)Br Z56924479 [0,2,0,0,0,0|0,0,1]=3 990 B13R1.164 O=C(O)COC1=C(C=C(C=C1)Cl)Cl Z56771026 [0,2,0,0,0,0|0,0,1]=3 991 B13R1.164 O=C(O)COC1=C(C=C(C=C1)Cl)F Z1416161884 [0,2,0,0,0,0|0,0,1]=3 992 B13R1.164 O=C(O)COC1=C(C=C(C=C1)F)Br Z56923211 [0,2,0,0,0,0|0,1,1]=4 993 B13R1.164 O=C(O)COC1=C(C=C(C=C1)F)Cl Z65572085 [0,2,0,0,0,0|0,1,1]=4 994 B13R1.164 O=C(O)COC1=C(C=C(C=C1)F)F Z239874904 [0,2,0,0,0,0|0,1,1]=4 995 B13R1.164 O=C(O)COC1=C(C=C(C=C1)I)Br Z5018658198 [0,2,0,0,0,0|0,1,1]=4 996 B13R1.164 O=C(O)CSC1=C(C=C(C=C1)Cl)Cl Z1269124447 [0,2,0,0,0,0|0,1,1]=4 997 B13R1.511 CC1=C(C=C(C=C1)OCC(=O)O)C Z56820874 [0,2,0,0,0,0|1,0,1]=4 998 B13R1.511 CC1=C(C=CC(=C1)OCC(=O)N)Cl Z18758332 [0,2,0,0,0,0|0,0,2]=4 999 B13R1.511 CC1=C(C=CC(=C1)OCC(=O)O)Br Z57204188 [0,2,0,0,0,0|0,1,1]=4 1000 B13R1.511 CC1=C(C=CC(=C1)OCC(=O)O)Cl Z56823032 [0,2,0,0,0,0|0,0,1]=3 1001 B13R1.511 CC1=C(C=CC(=C1)OCC(=O)O)F Z1262524725 [0,2,0,0,0,0|0,1,1]=4 1002 B13R1.511 NC(=O)COC1=CC(=C(C=C1)Cl)Cl Z18431658 [0,2,0,0,0,0|0,0,2]=4 1003 B13R1.511 O=C(O)CCC1=CC(=C(C=C1)Cl)Cl Z237515176 [0,2,0,0,0,0|1,0,1]=4 1004 B13R1.511 O=C(O)CCC1=CC(=C(C=C1)Cl)F Z838969840 [0,2,0,0,0,0|1,0,1]=4 1005 B13R1.511 O=C(O)COC1=CC(=C(C=C1)Cl)Cl Z65558737 [0,2,0,0,0,0|0,0,1]=3 1006 B13R1.511 O=C(O)COC1=CC(=C(C=C1)Cl)F Z1486018170 [0,2,0,0,0,0|0,0,1]=3 1007 B13R1.511 O=C(O)COC1=CC(=C(C=C1)F)Cl Z65577990 [0,2,0,0,0,0|0,1,1]=4 1008 B13R1.511 O=C(O)COC1=CC(=C(C=C1)F)F Z228583518 [0,2,0,0,0,0|0,1,1]=4 1009 B13R1.512 FC(F)(F)COC1=CC=C(C=C1)Br Z295440226 [0,2,0,0,0,0|1,1,0]=4 1010 B13R1.512 FC(F)(F)COC1=NC=C(C=C1)Cl Z1094698492 [0,2,0,0,0,0|2,0,0]=4 1011 B13R1.512 NC1=CC=C(C=C1)OCC(F)(F)F Z203884184 [0,2,0,0,0,0|2,0,0]=4 1012 B13R1.512 OC1=CC=C(C=C1)OCC(F)(F)F Z381414680 [0,2,0,0,0,0|2,0,0]=4 1013 B13R1.5 CCC(C)OC1=CC=C(C=C1)C#N Z57900078 [0,2,0,0,0,0|2,0,0]=4 1014 B13R1.5 COC1=CC=C(C=C1)OC(C)CN Z844632002 [0,2,0,0,0,0|2,0,0]=4 1015 B13R1.145 N#CC(CO)CC1=CC=C(C=C1)F Z851820868 [0,2,0,0,0,0|1,1,0]=4 1016 B13R1.145 NCC(CO)CC1=CC=C(C=C1)Br Z1860991556 [0,2,0,0,0,0|1,1,0]=4 1017 B13R1.145 NCC(CO)CC1=CC=C(C=C1)Cl Z1324055647 [0,2,0,0,0,0|1,0,0]=3 1018 B13R1.145 NCC(CO)CC1=CC=C(C=C1)F Z285055048 [0,2,0,0,0,0|1,1,0]=4 1019 B13R1.249 CC(N)(CO)CC1=CC=C(C=C1)Br Z2732858926 [0,2,0,0,0,0|1,1,0]=4 1020 B13R1.249 CC(N)(CO)CC1=CC=C(C=C1)Cl Z2738738577 [0,2,0,0,0,0|1,0,0]=3 1021 B13R1.249 CC(N)(CO)CC1=CC=C(C=C1)F Z2732860433 [0,2,0,0,0,0|1,1,0]=4 1022 B13R1.249 CC1=CC=C(C=C1)CC(C)(N)CO Z5060721709 [0,2,0,0,0,0|2,0,0]=4 1023 B13R1.249 NC1=CC=C(C=C1)OC(F)(F)CF Z5792442918 [0,2,0,0,0,0|2,0,0]=4 1024 B13R1.249 NCC(F)(F)OC1=CC=C(C=C1)Br Z4173258004 [0,2,0,0,0,0|1,1,0]=4 1025 B13R1.249 OCC(F)(F)OC1=CC=C(C=C1)Br Z3177888887 [0,2,0,0,0,0|0,1,0]=3 1026 B13R1.2679 CCC(N)CC1=C(C=C(C=C1)Cl)Cl Z431980076 [0,2,0,0,0,0|2,0,0]=4 1027 B13R1.2679 C[C@@H](CO)NC1=C(C=C(C=N1)Cl)Br Z1787623840 [0,2,0,0,0,0|2,0,0]=4 1028 B13R1.2679 C[C@@H](CO)NC1=C(C=C(C=N1)Cl)Cl Z2034483143 [0,2,0,0,0,0|2,0,0]=4 1029 B13R1.2679 C[C@@H](CO)NC1=C(C=C(C=N1)Cl)F Z1432018343 [0,2,0,0,0,0|2,0,0]=4 1030 B13R1.2879 CC1=C(C=C(C=C1)CC(N)CO)C Z2255081939 [0,2,0,0,0,0|2,0,0]=4 1031 B13R1.73 CCCOC1=C(C=C(C=C1)Br)C#N Z1269139792 [0,2,0,0,0,0|1,1,0]=4 1032 B13R1.73 CCCOC1=C(C=C(C=C1)Br)C=O Z53834337 [0,2,0,0,0,0|1,1,0]=4 1033 B13R1.73 COC1=C(C=CC(=C1)Br)CCCO Z1649521061 [0,2,0,0,0,0|1,1,0]=4 1034 B13R1.73 COC1=C(C=CC(=C1)O)OCCN Z3446433671 [0,2,0,0,0,0|2,0,0]=4 1035 B13R1.73 N#CC1=C(C=CC(=C1)Br)NCCO Z1537033713 [0,2,0,0,0,0|1,1,0]=4 1036 B13R1.73 N#CC1=C(C=CC(=C1)Br)OCCN Z3759750473 [0,2,0,0,0,0|1,1,0]=4 1037 B13R1.75 CCCOC1=C(C=C(C=C1)C=O)C Z1201623470 [0,2,0,0,0,0|2,0,0]=4 1038 B13R1.75 CCCOC1=C(C=C(C=C1)C=O)O Z1511751191 [0,2,0,0,0,0|2,0,0]=4 1039 B13R1.75 COC1=CC(=C(C=C1)CCCO)C Z1198265545 [0,2,0,0,0,0|2,0,0]=4 1040 B13R1.75 N#CC1=CC(=C(C=C1)OCCO)Cl Z98976533 [0,2,0,0,0,0|1,0,0]=3 1041 B13R1.75 O=CC1=CC(=C(C=C1)OCCBr)Cl Z1407619608 [0,2,0,0,0,0|2,0,0]=4 1042 B13R1.75 O=CC1=CC(=C(C=C1)OCCO)F Z335440194 [0,2,0,0,0,0|1,0,0]=3 1043 B13R1.1601 NCCOC1=C(C=C(C=C1Cl)Cl)Cl Z362806492 [0,2,0,0,0,0|1,0,0]=3 1044 B13R1.1601 OCCCC1=C(C=C(C=C1F)Br)F Z1269152159 [0,2,0,0,0,0|1,1,0]=4 1045 B13R1.1601 OCCOC1=C(C=C(C=C1Cl)Cl)Cl Z425795214 [0,2,0,0,0,0|0,0,0]=2 1046 B13R1.1601 OCCOC1=C(C=C(C=C1F)F)Br Z1651638088 [0,2,0,0,0,0|0,1,0]=3 1047 B13R1.74 CC(C)C1=CC=C(C=C1)OCCN Z426041486 [0,2,0,0,0,0|2,0,0]=4 1048 B13R1.74 CCCOC1=CC=C(C=C1)C(=O)C Z53832963 [0,2,0,0,0,0|2,0,0]=4 1049 B13R1.74 CCCOC1=CC=C(C=C1)C(=O)O Z56862795 [0,2,0,0,0,0|2,0,0]=4 1050 B13R1.74 NCCOC1=CC=C(C=C1)C(=O)O Z2901994635 [0,2,0,0,0,0|2,0,0]=4 1051 B13R1.74 NCCOC1=CC=C(C=C1)[N+](=O)[O-] Z2466331835 [0,2,0,0,0,0|2,0,0]=4 1052 B13R1.74 O=C(O)C1=CC=C(C=C1)NCCO Z228588946 [0,2,0,0,0,0|2,0,0]=4 1053 B13R1.74 O=C(O)C1=CC=C(C=C1)OCCF Z1262520598 [0,2,0,0,0,0|2,0,0]=4 1054 B13R1.74 O=C(O)C1=CC=C(C=C1)OCCO Z118461560 [0,2,0,0,0,0|1,0,0]=3 1055 B13R1.74 O=[N+]([O-])C1=CC=C(C=C1)OCCBr Z285922196 [0,2,0,0,0,0|2,0,0]=4 1056 B13R1.74 O=[N+]([O-])C1=CC=C(C=C1)OCCO Z71183286 [0,2,0,0,0,0|1,0,0]=3 1057 B13R1.74 O=[N+]([O-])C1=CC=C(C=C1)SCCO Z31206337 [0,2,0,0,0,0|1,1,0]=4 1058 B13R1.77 CCCOC1=CC=C(C=C1)CNC Z5590138558 [0,2,0,0,0,0|2,0,0]=4 1059 B13R1.77 CCOC1=CC=C(C=C1)OCCBr Z56886341 [0,2,0,0,0,0|2,0,0]=4 1060 B13R1.77 CCOC1=CC=C(C=C1)OCCCl Z56912620 [0,2,0,0,0,0|2,0,0]=4 1061 B13R1.77 CNCC1=CC=C(C=C1)OCCO Z5507386892 [0,2,0,0,0,0|1,0,0]=3 1062 B13R1.77 N#CCC1=CC=C(C=C1)OCCN Z1268152380 [0,2,0,0,0,0|2,0,0]=4 1063 B13R1.77 N#CCC1=CC=C(C=C1)OCCO Z295206882 [0,2,0,0,0,0|1,0,0]=3 1064 B13R1.77 NCCC1=CC=C(C=C1)OCCO Z1335657472 [0,2,0,0,0,0|1,0,0]=3 1065 B13R1.577 CCCOC1=CC(=C(C=C1)C=O)C Z1255431766 [0,2,0,0,0,0|2,0,0]=4 1066 B13R1.577 CCCOC1=CC(=C(C=C1)C=O)O Z56862359 [0,2,0,0,0,0|2,0,0]=4 1067 B13R1.577 CCCOC1=CC(=C(C=C1)CN)C Z1827897977 [0,2,0,0,0,0|2,0,0]=4 1068 B13R1.577 O=CC1=C(C=C(C=C1)OCCO)Br Z203239486 [0,2,0,0,0,0|1,0,0]=3 1069 B13R1.575 N#CC1=C(C=CC(=C1)NCCO)F Z975769604 [0,2,0,0,0,0|1,1,0]=4 1070 B11R2.34 BrC1=CC=C(C=C1)C2CO2 Z278165164 [1,0,0,1,0,0|0,1,0]=3 1071 B11R2.34 BrC1=CC=C(C=C1)[C@@H]2CO2 Z1198177141 [1,0,0,1,0,0|0,1,0]=3 1072 B11R2.34 BrC1=CC=C(C=C1)[C@H]2CO2 Z1198177142 [1,0,0,1,0,0|0,1,0]=3 1073 B11R2.34 CC1=CC=C(C=C1)C2CO2 Z278165170 [1,0,0,1,0,0|1,0,0]=3 1074 B11R2.34 CC1=NC=C(C=C1)C2CO2 Z1504684436 [1,0,0,1,0,0|2,0,0]=4 1075 B11R2.34 ClC1=CC=C(C=C1)C2CO2 Z274971352 [1,0,0,1,0,0|0,0,0]=2 1076 B11R2.34 ClC1=CC=C(C=C1)[C@@H]2CO2 Z1255450845 [1,0,0,1,0,0|0,0,0]=2 1077 B11R2.34 ClC1=CC=C(C=C1)[C@H]2CO2 Z1198173162 [1,0,0,1,0,0|0,0,0]=2 1078 B11R2.34 FC1=CC=C(C=C1)C2CO2 Z238878272 [1,0,0,1,0,0|0,1,0]=3 1079 B11R2.34 FC1=CC=C(C=C1)[C@@H]2CO2 Z1255365381 [1,0,0,1,0,0|0,1,0]=3 1080 B11R2.34 FC1=CC=C(C=C1)[C@H]2CO2 Z1255356921 [1,0,0,1,0,0|0,1,0]=3 1081 B11R2.34 FC1=CN=C(C=C1)C2CO2 Z1575327880 [1,0,0,1,0,0|1,1,0]=4 1082 B11R2.36 BrC1=CC2=C(C=C1)CCC2 Z359513410 [1,0,0,1,0,0|1,1,0]=4 1083 B11R2.36 BrC1=CC2=C(C=C1)CCN2 Z1267773746 [1,0,0,1,0,0|1,1,0]=4 1084 B11R2.36 BrC1=CC2=C(C=C1)CCO2 Z1198181832 [1,0,0,1,0,0|0,1,0]=3 1085 B11R2.36 BrC1=CC2=C(C=C1)OCC2 Z299596228 [1,0,0,1,0,0|0,1,0]=3 1086 B11R2.36 BrC1=CC2=C(C=C1)OCO2 Z1269199980 [1,0,0,1,0,0|0,1,0]=3 1087 B11R2.36 BrC1=CC2=C(N=C1)OCC2 Z1269230252 [1,0,0,1,0,0|1,1,0]=4 1088 B11R2.36 CC1=CC2=C(C=C1)CCN2 Z1269638555 [1,0,0,1,0,0|2,0,0]=4 1089 B11R2.36 CC1=CC2=C(C=C1)NCC2 Z235539062 [1,0,0,1,0,0|2,0,0]=4 1090 B11R2.36 CC1=CC2=C(C=C1)OCO2 Z1255364672 [1,0,0,1,0,0|1,0,0]=3 1091 B11R2.36 ClC1=CC2=C(C=C1)CCC2 Z1198234594 [1,0,0,1,0,0|1,0,0]=3 1092 B11R2.36 ClC1=CC2=C(C=C1)CCN2 Z926915320 [1,0,0,1,0,0|1,0,0]=3 1093 B11R2.36 ClC1=CC2=C(C=C1)CNC2 Z1198319382 [1,0,0,1,0,0|2,0,0]=4 1094 B11R2.36 ClC1=CC2=C(C=C1)NCC2 Z235537274 [1,0,0,1,0,0|1,0,0]=3 1095 B11R2.36 FC1=CC2=C(C=C1)CCN2 Z440803576 [1,0,0,1,0,0|1,1,0]=4 1096 B11R2.36 FC1=CC2=C(N=C1)OCC2 Z2732449946 [1,0,0,1,0,0|1,1,0]=4 1097 B11R2.36 IC1=CC2=C(C=C1)CCC2 Z381540774 [1,0,0,1,0,0|1,1,0]=4 1098 B11R2.36 IC1=CC2=C(C=C1)OCO2 Z381540748 [1,0,0,1,0,0|0,1,0]=3 1099 B11R2.36 NC1=CC2=C(C=C1)CCO2 Z1203579091 [1,0,0,1,0,0|1,0,0]=3 1100 B11R2.36 NC1=CC2=C(C=C1)CCS2 Z1198181342 [1,0,0,1,0,0|1,1,0]=4 1101 B11R2.36 NC1=NC2=C(C=C1)OCC2 Z1203582734 [1,0,0,1,0,0|2,0,0]=4 1102 B11R2.36 OC1=CC2=C(C=C1)CCN2 Z3241260546 [1,0,0,1,0,0|2,0,0]=4 1103 B11R2.36 OC1=CC2=C(C=C1)OCC2 Z1198182902 [1,0,0,1,0,0|1,0,0]=3 1104 B11R2.36 OC1=CC2=C(C=C1)OCO2 Z104473678 [1,0,0,1,0,0|1,0,0]=3 1105 B11R2.36 SC1=CC2=C(C=C1)OCC2 Z361891428 [1,0,0,1,0,0|1,0,0]=3 1106 B11R2.1 CC1CNC2=C1C=CC=C2 Z415739264 [1,0,0,1,0,0|2,0,0]=4 1107 B11R2.1 NC1CCC2=C1C=CC=C2 Z168884748 [1,0,0,1,0,0|2,0,0]=4 1108 B11R2.1 NC1CSC2=C1C=CC=C2 Z431544668 [1,0,0,1,0,0|1,1,0]=4 1109 B11R2.1 N[C@@H]1CCC2=C1C=CC=C2 Z1741972748 [1,0,0,1,0,0|2,0,0]=4 1110 B11R2.1 O=C1COC2=C1C=CC=C2 Z57101103 [1,0,0,1,0,0|0,0,2]=4 1111 B11R2.1 OC1COC2=C1C=CC=C2 Z1267884639 [1,0,0,1,0,0|0,0,0]=2 1112 B11R2.1 O[C@@H]1CSC2=C1C=CC=C2 Z1438326029 [1,0,0,1,0,0|0,1,0]=3 1113 B11R2.4 N[C@@H]1C[C@@H]1C2=CC=CC=C2 Z2309888982 [1,0,0,1,0,0|2,0,0]=4 1114 B11R2.4 N[C@@H]1C[C@H]1C2=CC=CC=C2 Z2296167800 [1,0,0,1,0,0|2,0,0]=4 1115 B11R2.4 N[C@H]1C[C@@H]1C2=CC=CC=C2 Z2517097696 [1,0,0,1,0,0|2,0,0]=4 1116 B11R2.20 C1=CC2=C(C=C1)OCCC2 Z728136016 [1,0,0,1,0,0|1,0,0]=3 1117 B11R2.20 C1=CC2=C(C=C1)OCCN2 Z228584850 [1,0,0,1,0,0|1,0,0]=3 1118 B11R2.20 C1=CC2=C(C=C1)SCCN2 Z56943460 [1,0,0,1,0,0|1,1,0]=4 1119 B11R2.20 C1=CC2=C(C=N1)NCCO2 Z2217033032 [1,0,0,1,0,0|2,0,0]=4 1120 B11R2.20 C1=CC2=C(N=C1)OCCN2 Z1201624799 [1,0,0,1,0,0|2,0,0]=4 1121 B11R2.238 C1=CC=C(C=C1)CC2CO2 Z1020680006 [1,0,0,1,0,0|1,0,0]=3 1122 B11R2.238 C1=CC=C(C=C1)C[C@@H]2CO2 Z1617991494 [1,0,0,1,0,0|1,0,0]=3 1123 B11R2.238 C1=CC=C(C=C1)C[C@H]2CO2 Z2216712384 [1,0,0,1,0,0|1,0,0]=3 1124 B11R2.238 C1=CC=C(C=C1)NC2CC2 Z1203731288 [1,0,0,1,0,0|2,0,0]=4 1125 B11R2.239 C1=CC=C(C=C1)C2CCN2 Z359510120 [1,0,0,1,0,0|2,0,0]=4 1126 B11R2.988 NCC1CC2=C1C=CC=C2 Z234895091 [1,0,0,1,0,0|2,0,0]=4 1127 B13R2.12 BrC1=CC=C(C=C1)C2=NOCC2 Z1813177730 [0,1,0,1,0,0|1,1,0]=4 1128 B13R2.12 BrC1=CC=C(C=C1)C2OCCO2 Z1269186914 [0,1,0,1,0,0|0,1,0]=3 1129 B13R2.12 BrC1=CN=C(C=C1)C2OCCO2 Z1269176818 [0,1,0,1,0,0|1,1,0]=4 1130 B13R2.12 ClC1=CC=C(C=C1)C2=NCCN2 Z235362997 [0,1,0,1,0,0|2,0,0]=4 1131 B13R2.12 ClC1=CC=C(C=C1)C2CCCN2 Z1262246112 [0,1,0,1,0,0|2,0,0]=4 1132 B13R2.12 ClC1=CC=C(C=C1)C2CCNC2 Z1266933891 [0,1,0,1,0,0|2,0,0]=4 1133 B13R2.12 ClC1=CC=C(C=C1)N2CCCC2 Z1198183704 [0,1,0,1,0,0|2,0,0]=4 1134 B13R2.12 NC1=CC=C(C=C1)C2CCOC2 Z1486013480 [0,1,0,1,0,0|2,0,0]=4 1135 B13R2.12 OC1=CC=C(C=C1)C2CCOC2 Z1486018525 [0,1,0,1,0,0|2,0,0]=4 1136 B13R2.162 CC1NCCC2=C1C=C(C=C2)Cl Z4464935751 [0,1,0,1,0,0|2,0,0]=4 1137 B13R2.162 NC1=CC2=C(C=C1)OCCC2=O Z1255357944 [0,1,0,1,0,0|1,0,1]=4 1138 B13R2.162 NC1CCOC2=C1C=C(C=C2)Br Z812517124 [0,1,0,1,0,0|1,1,0]=4 1139 B13R2.162 NC1CCOC2=C1C=C(C=C2)Cl Z3234952129 [0,1,0,1,0,0|1,0,0]=3 1140 B13R2.162 NC1CCOC2=C1C=C(C=C2)F Z1266854953 [0,1,0,1,0,0|1,1,0]=4 1141 B13R2.162 NC1CCSC2=C1C=C(C=C2)Cl Z147340872 [0,1,0,1,0,0|1,1,0]=4 1142 B13R2.162 N[C@@H]1CCOC2=C1C=C(C=C2)O Z3353639073 [0,1,0,1,0,0|2,0,0]=4 1143 B13R2.162 O=C1CCOC2=C1C=C(C=C2)Br Z223042532 [0,1,0,1,0,0|0,1,1]=4 1144 B13R2.162 O=C1CCOC2=C1C=C(C=C2)Cl Z382720992 [0,1,0,1,0,0|0,0,1]=3 1145 B13R2.162 O=C1CCOC2=C1C=C(C=C2)F Z382720990 [0,1,0,1,0,0|0,1,1]=4 1146 B13R2.162 O=C1CCSC2=C1C=C(C=C2)Cl Z149094956 [0,1,0,1,0,0|0,1,1]=4 1147 B13R2.162 OC1CCCC2=C1C=C(C=C2)Cl Z1008483484 [0,1,0,1,0,0|1,0,0]=3 1148 B13R2.162 OC1CCOC2=C1C=C(C=C2)Br Z235448344 [0,1,0,1,0,0|0,1,0]=3 1149 B13R2.527 BrC1=CC=C(C=C1)OCC2CC2 Z431958470 [0,1,0,1,0,0|1,1,0]=4 1150 B13R2.527 BrC1=CC=C(C=C1)OCC2CO2 Z104492436 [0,1,0,1,0,0|0,1,0]=3 1151 B13R2.527 CC1=CC=C(C=C1)OCC2CO2 Z57046213 [0,1,0,1,0,0|1,0,0]=3 1152 B13R2.527 ClC1=CC=C(C=C1)CNC2CC2 Z86138866 [0,1,0,1,0,0|2,0,0]=4 1153 B13R2.527 ClC1=CC=C(C=C1)OCC2CO2 Z94602271 [0,1,0,1,0,0|0,0,0]=2 1154 B13R2.527 ClC1=CC=C(C=C1)OC[C@H]2CO2 Z1198182187 [0,1,0,1,0,0|0,0,0]=2 1155 B13R2.527 FC1=CC=C(C=C1)OCC2CO2 Z147642752 [0,1,0,1,0,0|0,1,0]=3 1156 B13R2.527 NC1=CC=C(C=C1)OCC2CC2 Z1267881654 [0,1,0,1,0,0|2,0,0]=4 1157 B13R2.527 OC1=CC=C(C=C1)OCC2CC2 Z431958964 [0,1,0,1,0,0|2,0,0]=4 1158 B13R2.1069 ClC1=CC=C(C=C1)CC2CNC2 Z1333043513 [0,1,0,1,0,0|2,0,0]=4 1159 B13R2.1069 FC1=CC=C(C=C1)OC2CNC2 Z2941369391 [0,1,0,1,0,0|1,1,0]=4 1160 B13R2.1069 IC1=CC=C(C=C1)OC2CCC2 Z1862022366 [0,1,0,1,0,0|1,1,0]=4 1161 B13R2.1069 OC1=CC=C(C=C1)OC2CCC2 Z2515400422 [0,1,0,1,0,0|2,0,0]=4 1162 B13R2.3729 BrC1=CC2=C(C=C1)CNCCO2 Z2587654837 [0,1,0,1,0,0|1,1,0]=4 1163 B13R2.3729 BrC1=CC2=C(C=C1)NCCOC2 Z1861993262 [0,1,0,1,0,0|1,1,0]=4 1164 B13R2.3729 BrC1=CC2=C(C=C1)OCCCO2 Z299596130 [0,1,0,1,0,0|0,1,0]=3 1165 B13R2.3729 BrC1=CC2=C(C=C1)OCCNC2 Z1954803398 [0,1,0,1,0,0|1,1,0]=4 1166 B13R2.3729 CC1=CC2=C(C=C1)CNCCO2 Z5001789364 [0,1,0,1,0,0|2,0,0]=4 1167 B13R2.3729 CC1=CC2=C(C=C1)OCCCN2 Z1251362910 [0,1,0,1,0,0|2,0,0]=4 1168 B13R2.3729 ClC1=CC2=C(C=C1)CCCCN2 Z1655103611 [0,1,0,1,0,0|2,0,0]=4 1169 B13R2.3729 ClC1=CC2=C(C=C1)CNCCO2 Z3292855287 [0,1,0,1,0,0|1,0,0]=3 1170 B13R2.3729 ClC1=CC2=C(C=C1)NCCCC2 Z2568751763 [0,1,0,1,0,0|2,0,0]=4 1171 B13R2.3729 ClC1=CC2=C(C=C1)NCCCS2 Z1262602361 [0,1,0,1,0,0|1,1,0]=4 1172 B13R2.3729 ClC1=CC2=C(C=C1)OCCCO2 Z382713972 [0,1,0,1,0,0|0,0,0]=2 1173 B13R2.3729 ClC1=CC2=C(C=C1)OCCNC2 Z2756841896 [0,1,0,1,0,0|1,0,0]=3 1174 B13R2.3729 ClC1=CC2=C(C=C1)SCCCN2 Z1262585685 [0,1,0,1,0,0|1,1,0]=4 1175 B13R2.3729 FC1=CC2=C(C=C1)OCCNC2 Z1201628924 [0,1,0,1,0,0|1,1,0]=4 1176 B13R2.3729 NC1=CC2=C(C=C1)OCCCO2 Z90121988 [0,1,0,1,0,0|1,0,0]=3 1177 B13R2.3729 OC1=CC2=C(C=C1)CNCCO2 Z2034364686 [0,1,0,1,0,0|2,0,0]=4 1178 B13R2.3729 OC1=CC2=C(C=C1)OCCCO2 Z384971252 [0,1,0,1,0,0|1,0,0]=3 1179 B13R2.3729 SC1=CC2=C(C=C1)OCCCO2 Z57028523 [0,1,0,1,0,0|1,0,0]=3 1180 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 1181 B13R2.147 OC1CC(C1)C2=CC=C(C=C2)Br Z501748690 [0,1,0,1,0,0|1,1,0]=4 1182 B13R2.520 NC(C1=CC=C(C=C1)Cl)C2CC2 Z336481690 [0,1,0,1,0,0|2,0,0]=4 1183 B13R2.2986 NC1(CCC1)C2=CC=C(C=C2)Cl Z381654476 [0,1,0,1,0,0|2,0,0]=4 1184 B13R2.5179 CN1CCNC2=C1C=CC(=C2)Cl Z1262584844 [0,1,0,1,0,0|2,0,0]=4 1185 B13R2.5179 NC1CCOC2=C1C=CC(=C2)Cl Z2044769360 [0,1,0,1,0,0|1,0,0]=3 1186 B13R2.5179 N[C@@H]1CCOC2=C1C=CC(=C2)F Z2242076651 [0,1,0,1,0,0|1,1,0]=4 1187 B13R2.5179 N[C@H]1CCOC2=C1C=CC(=C2)F Z2440429201 [0,1,0,1,0,0|1,1,0]=4 1188 B13R2.5179 O=C1CCOC2=C1C=CC(=C2)Cl Z1198222022 [0,1,0,1,0,0|1,0,0]=3 1189 B13R2.5179 O=C1CCOC2=C1C=CC(=C2)O Z1198180631 [0,1,0,1,0,0|2,0,0]=4 1190 B13R2.155 CC1=CC2=C(C=C1)NCC(O2)C Z1198339750 [0,1,0,1,0,0|2,0,0]=4 1191 B13R2.155 CC1CNC2=C(O1)C=C(C=C2)Br Z1269181301 [0,1,0,1,0,0|1,1,0]=4 1192 B13R2.155 CC1CNC2=C(O1)C=C(C=C2)F Z1258990936 [0,1,0,1,0,0|1,1,0]=4 1193 B13R2.155 NC1COC2=C(C1)C=C(C=C2)Br Z3225516948 [0,1,0,1,0,0|1,1,0]=4 1194 B13R2.155 NC1COC2=C(C1)C=C(C=C2)F Z2146513958 [0,1,0,1,0,0|1,1,0]=4 1195 B13R2.155 O=C1COC2=C(N1)C=C(C=C2)Cl Z57515847 [0,1,0,1,0,0|0,0,2]=4 1196 B13R2.155 OC1=CC2=C(C=C1)CCC(C2)O Z1513811314 [0,1,0,1,0,0|2,0,0]=4 1197 B13R2.155 OC1CNC2=C(C1)C=C(C=C2)Br Z2733593416 [0,1,0,1,0,0|1,1,0]=4 1198 B13R2.155 OC1CNC2=C(C1)C=C(C=C2)F Z1813139692 [0,1,0,1,0,0|1,1,0]=4 1199 B13R2.3791 CC1(COC2=C1C=C(C=C2)Br)C Z1269161489 [0,1,0,1,0,0|1,1,0]=4 1200 B13R2.3791 CC1(COC2=C1C=C(C=C2)O)C Z1513829476 [0,1,0,1,0,0|2,0,0]=4 1201 B13R2.4930 O=C(O)C1CC2=C1C=C(C=C2)Cl Z1262559583 [0,1,0,1,0,0|1,0,1]=4 1202 B13R2.43 NC1=CC2=C(C=C1)OC(=C2)CO Z1262684953 [0,1,0,1,0,0|1,0,1]=4 1203 B13R2.43 NCC1=CC2=C(O1)C=CC(=C2)Cl Z2583434933 [0,1,0,1,0,0|1,0,1]=4 1204 B13R2.43 NCC1CC2=C(O1)C=CC(=C2)Br Z1269117858 [0,1,0,1,0,0|1,1,0]=4 1205 B13R2.43 OCC1=NC2=C(S1)C=CC(=C2)Cl Z228584310 [0,1,0,1,0,0|0,1,1]=4 1206 B13R2.43 OCC1CC2=C(O1)C=CC(=C2)Br Z1269186761 [0,1,0,1,0,0|0,1,0]=3 1207 B13R2.43 OCC1CC2=C(O1)C=CC(=C2)F Z1198725007 [0,1,0,1,0,0|0,1,0]=3 1208 B13R2.148 NC1(CC1)CC2=CC=C(C=C2)Cl Z3244909154 [0,1,0,1,0,0|2,0,0]=4 1209 B13R2.3683 CC1=CC2=C(C=C1)OC(CN2)C Z1198339746 [0,1,0,1,0,0|2,0,0]=4 1210 B13R2.3683 CC1CNC2=C(O1)C=CC(=C2)Br Z1269154407 [0,1,0,1,0,0|1,1,0]=4 1211 B13R2.3683 CC1CNC2=C(O1)C=CC(=C2)Cl Z1198339753 [0,1,0,1,0,0|1,0,0]=3 1212 B13R2.3683 O=C1COC2=C(N1)C=CC(=C2)Cl Z1198161300 [0,1,0,1,0,0|1,0,1]=4 1213 B13R2.328 CC1=C2NCCCC2=CC(=C1)Cl Z1269638569 [0,1,0,1,0,0|2,0,0]=4 1214 B13R2.328 CC1=CC2=C(OCCN2)C(=C1)C Z2453102148 [0,1,0,1,0,0|2,0,0]=4 1215 B13R2.328 ClC1=C2OCCNC2=CC(=C1)Br Z1398140033 [0,1,0,1,0,0|1,1,0]=4 1216 B13R2.328 ClC1=CC2=C(CCCN2)C(=C1)Cl Z2255110547 [0,1,0,1,0,0|2,0,0]=4 1217 B13R2.328 ClC1=CC2=C(NCCC2)C(=C1)Br Z1416162995 [0,1,0,1,0,0|2,0,0]=4 1218 B13R2.328 ClC1=CC2=C(OCCN2)C(=C1)Br Z4990947955 [0,1,0,1,0,0|1,0,0]=3 1219 B13R2.328 FC1=C2NCCCC2=CC(=C1)Cl Z1266854933 [0,1,0,1,0,0|2,0,0]=4 1220 B13R2.328 FC1=CC2=C(OCCN2)C(=C1)F Z1255490168 [0,1,0,1,0,0|1,1,0]=4 1221 B13R2.328 NC1=C2OCCCC2=CC(=C1)F Z1262684196 [0,1,0,1,0,0|1,1,0]=4 1222 B13R2.328 NC1=C2OCCOC2=CC(=C1)Br Z5003915931 [0,1,0,1,0,0|0,1,0]=3 1223 B13R2.328 NC1=CC2=C(OCCO2)C(=C1)Br Z3199884731 [0,1,0,1,0,0|1,0,0]=3 1224 B13R2.328 NC1=CC2=C(OCCO2)C(=C1)Cl Z164708536 [0,1,0,1,0,0|1,0,0]=3 1225 B13R2.3742 CC1=C2OCC(=O)C2=CC(=C1)Cl Z425810648 [0,1,0,1,0,0|0,0,2]=4 1226 B13R2.3742 CC1=CC(=C2OCC(C2=C1)O)Br Z1267884892 [0,1,0,1,0,0|1,0,0]=3 1227 B13R2.3742 NC1CCC2=C(C=C(C=C12)Cl)Cl Z2417561239 [0,1,0,1,0,0|2,0,0]=4 1228 B13R2.3742 NC1COC2=C(C=C(C=C12)Cl)Cl Z4080067835 [0,1,0,1,0,0|1,0,0]=3 1229 B13R2.5399 N[C@@H]1C[C@H]1C2=C(C=C(C=C2)Cl)Cl Z2298098028 [0,1,0,1,0,0|2,0,0]=4 1230 B13R2.57 CNC1=CC2=C(C=C1)OCCO2 Z3234815281 [0,1,0,1,0,0|1,0,0]=3 1231 B13R2.57 N#CC1=CC2=C(C=C1)OCCO2 Z381430488 [0,1,0,1,0,0|1,0,0]=3 1232 B13R2.57 N#CC1=CC2=C(N=C1)OCCO2 Z1255406112 [0,1,0,1,0,0|2,0,0]=4 1233 B13R2.57 NCC1=CC2=C(C=C1)NCCO2 Z3214055823 [0,1,0,1,0,0|2,0,0]=4 1234 B13R2.57 NCC1=CC2=C(C=C1)OCCO2 Z57029655 [0,1,0,1,0,0|1,0,0]=3 1235 B13R2.57 NCC1=NC2=C(C=C1)OCCO2 Z4461548777 [0,1,0,1,0,0|2,0,0]=4 1236 B13R2.57 NCC1=NC=C2OCCOC2=C1 Z2738697473 [0,1,0,1,0,0|2,0,0]=4 1237 B13R2.57 O=CC1=CC2=C(C=C1)OCCC2 Z1190318856 [0,1,0,1,0,0|2,0,0]=4 1238 B13R2.57 O=CC1=CC2=C(C=C1)OCCO2 Z57000575 [0,1,0,1,0,0|1,0,0]=3 1239 B13R2.57 O=CC1=NC2=C(C=C1)OCCO2 Z1255400305 [0,1,0,1,0,0|2,0,0]=4 1240 B13R2.57 O=CC1=NC=C2OCCOC2=C1 Z1198237695 [0,1,0,1,0,0|2,0,0]=4 1241 B13R2.57 OCC1=CC2=C(C=C1)OCCO2 Z381430460 [0,1,0,1,0,0|1,0,0]=3 1242 B13R2.184 O=CC1=CC=C(C=C1)OC2CC2 Z1255501205 [0,1,0,1,0,0|2,0,0]=4 1243 B13R2.32 CC1=C2NCCCC2=CC=C1Cl Z1259155968 [0,1,0,1,0,0|2,0,0]=4 1244 B13R2.32 ClC1=C(C2=C(C=C1)CCCN2)Br Z4461966624 [0,1,0,1,0,0|2,0,0]=4 1245 B13R2.32 ClC1=C(C2=C(C=C1)CCCN2)Cl Z259727472 [0,1,0,1,0,0|2,0,0]=4 1246 B13R2.32 FC1=C(C2=C(C=C1)NCCO2)F Z1262576315 [0,1,0,1,0,0|1,1,0]=4 1247 B13R2.32 FC1=C2NCCCC2=CC=C1Cl Z362625194 [0,1,0,1,0,0|2,0,0]=4 1248 B13R2.369 ClC1=C(C=C2NCCCC2=C1)Br Z1416191101 [0,1,0,1,0,0|2,0,0]=4 1249 B13R2.369 ClC1=C(C=C2OCCNC2=C1)Br Z1326937909 [0,1,0,1,0,0|1,0,0]=3 1250 B13R2.369 ClC1=C(C=C2OCCNC2=C1)Cl Z1269189651 [0,1,0,1,0,0|1,0,0]=3 1251 B13R2.369 FC1=C(C=C2NCCOC2=C1)Br Z2218556206 [0,1,0,1,0,0|1,1,0]=4 1252 B13R2.369 FC1=C(C=C2OCCNC2=C1)Br Z1723692841 [0,1,0,1,0,0|1,1,0]=4 1253 B13R2.369 NC1=C(C=C2OCCCC2=C1)Cl Z2235674373 [0,1,0,1,0,0|1,0,0]=3 1254 B13R2.369 NC1=C(C=C2OCCOC2=C1)Br Z56973509 [0,1,0,1,0,0|0,1,0]=3 1255 B13R2.369 NC1=C(C=C2OCCOC2=C1)Cl Z169508168 [0,1,0,1,0,0|0,0,0]=2 1256 B13R2.369 NC1=C(C=C2OCCOC2=C1)N Z188745058 [0,1,0,1,0,0|1,0,0]=3 1257 B13R2.521 CC1=C(C=CC(=C1)CC2CO2)F Z1495386296 [0,1,0,1,0,0|1,1,0]=4 1258 B13R2.522 N[C@@H]1C[C@H]1C2=CC(=C(C=C2)Cl)Cl Z2298098026 [0,1,0,1,0,0|2,0,0]=4 1259 B13R2.522 N[C@@H]1C[C@H]1C2=CC(=C(C=C2)Cl)F Z2298098037 [0,1,0,1,0,0|2,0,0]=4 1260 B13R2.3790 CC1=C(C2=C(C=C1)CCC2O)C Z4883452164 [0,1,0,1,0,0|2,0,0]=4 1261 B13R2.11634 CC1=C(C=C2C(=C1)OCC2N)Cl Z4875053305 [0,1,0,1,0,0|1,0,0]=3 1262 B13R2.11634 OC1=NOC2=C1C=C(C(=C2)Cl)Cl Z1551949855 [0,1,0,1,0,0|1,0,1]=4 1263 B13R3.213 ClC1=CC2=C(C=C1)CC3C2O3 Z1198182425 [0,0,0,2,0,0|1,0,0]=3 1264 B9R1.7 CCOC1=NC(=CS1)Cl Z1581816962 [1,0,0,0,1,0|2,0,0]=4 1265 B9R1.7 NCCC1=CC=C(S1)Cl Z432066930 [1,0,0,0,1,0|2,0,0]=4 1266 B9R1.12 OCCCC1=COC=C1 Z1198265634 [1,0,0,0,1,0|2,0,0]=4 1267 B9R1.12 OCCCC1=CSC=C1 Z993012564 [1,0,0,0,1,0|2,0,0]=4