0 B12R1.16 C=C(OCC)C1=NC=C(N=C1)Cl Z2939728968 [0,0,0,0,0,0|4,0,0]=4 1 B12R1.16 C=CCC(=O)C1=CC=C(C=C1)F Z808661950 [0,0,0,0,0,0|2,0,2]=4 2 B12R1.16 CC1=CC=C(C=C1)C(=O)/C=C/[O-] Z199534162 [0,0,0,0,0,0|3,0,1]=4 3 B12R1.16 CC1=CC=C(C=C1)C(=O)CC#N Z317042080 [0,0,0,0,0,0|3,0,1]=4 4 B12R1.16 CC1=CC=C(C=C1)C(=O)NCO Z56801291 [0,0,0,0,0,0|3,0,0]=3 5 B12R1.16 CCCC(=O)C1=CC=C(C=C1)Cl Z104483624 [0,0,0,0,0,0|2,0,0]=2 6 B12R1.16 CCCC(=O)C1=NC=C(C=C1)Cl Z1392159744 [0,0,0,0,0,0|3,0,0]=3 7 B12R1.16 CCCC(N)C1=CC=C(C=C1)Cl Z1416203204 [0,0,0,0,0,0|3,0,1]=4 8 B12R1.16 CCNC(=O)C1=CC=C(C=C1)I Z30281227 [0,0,0,0,0,0|2,0,0]=2 9 B12R1.16 CCNC(=O)C1=CC=C(C=C1)N Z239124802 [0,0,0,0,0,0|1,0,0]=1 10 B12R1.16 CCNC(=O)C1=CC=C(C=C1)O Z183861716 [0,0,0,0,0,0|2,0,0]=2 11 B12R1.16 CCNC(=O)C1=CN=C(C=C1)Cl Z32024590 [0,0,0,0,0,0|3,0,0]=3 12 B12R1.16 CCNC(=O)C1=NN=C(C=C1)Cl Z594847842 [0,0,0,0,0,0|4,0,0]=4 13 B12R1.16 CCNC(C)C1=CC=C(C=C1)F Z451452334 [0,0,0,0,0,0|3,0,1]=4 14 B12R1.16 CCOC(=O)C1=CC=C(C=C1)N Z54178706 [0,0,0,0,0,0|0,0,0]=0 15 B12R1.16 CCOC(=O)C1=CC=C(C=C1)O Z53833636 [0,0,0,0,0,0|1,0,0]=1 16 B12R1.16 CCOC(=O)C1=CN=C(C=C1)Cl Z53836175 [0,0,0,0,0,0|2,0,0]=2 17 B12R1.16 CCOC(=O)C1=CN=C(C=C1)S Z271138134 [0,0,0,0,0,0|2,0,0]=2 18 B12R1.16 CCOC(=O)C1=CN=C(N=C1)Cl Z1160999475 [0,0,0,0,0,0|3,0,0]=3 19 B12R1.16 CCOC(=O)C1=CN=C(N=C1)N Z1198164174 [0,0,0,0,0,0|2,0,0]=2 20 B12R1.16 CCOC(=O)C1=CNC(=O)N=C1 Z1198234972 [0,0,0,0,0,0|3,0,0]=3 21 B12R1.16 CCOC(=O)C1=NC=C(C=C1)N Z1198222817 [0,0,0,0,0,0|1,0,0]=1 22 B12R1.16 CCOC(=O)C1=NC=C(N=C1)Cl Z1255448994 [0,0,0,0,0,0|3,0,0]=3 23 B12R1.16 CCOC(=O)C1=NC=C(N=C1)O Z3235030224 [0,0,0,0,0,0|3,0,0]=3 24 B12R1.16 CCOC(=O)C1=NN=C(C=C1)Cl Z1160850452 [0,0,0,0,0,0|3,0,0]=3 25 B12R1.16 CN(CCO)C1=CC=C(C=C1)N Z359383966 [0,0,0,0,0,0|4,0,0]=4 26 B12R1.16 N#CCC(=O)C1=CC=C(C=C1)Br Z317042050 [0,0,0,0,0,0|3,0,1]=4 27 B12R1.16 N#CCC(=O)C1=CC=C(C=C1)Cl Z56963409 [0,0,0,0,0,0|3,0,1]=4 28 B12R1.16 N#CCC(=O)C1=CC=C(C=C1)F Z104520972 [0,0,0,0,0,0|3,0,1]=4 29 B12R1.16 O=C(/C=C/[O-])C1=CC=C(C=C1)Cl Z56943452 [0,0,0,0,0,0|3,0,1]=4 30 B12R1.16 O=C(CCCl)C1=CC=C(C=C1)F Z104478542 [0,0,0,0,0,0|3,0,0]=3 31 B12R1.16 O=C(NCO)C1=CC=C(C=C1)Cl Z1198154132 [0,0,0,0,0,0|3,0,0]=3 32 B11R1.1 CCCCC1=CC=C(C=C1)N Z104475500 [1,0,0,0,0,0|1,0,1]=3 33 B11R1.1 CCCNC1=CC=C(C=C1)Cl Z1266933829 [1,0,0,0,0,0|3,0,0]=4 34 B11R1.1 CCCOC1=CC=C(C=C1)N Z239604724 [1,0,0,0,0,0|2,0,0]=3 35 B11R1.1 CCNCC1=CC=C(C=C1)F Z3244655509 [1,0,0,0,0,0|2,0,1]=4 36 B11R1.1 CCOCC1=CC=C(C=C1)Br Z823854370 [1,0,0,0,0,0|1,0,1]=3 37 B11R1.1 CCOCC1=CC=C(C=C1)N Z240084570 [1,0,0,0,0,0|0,0,1]=2 38 B11R1.1 CCSCC1=CC=C(C=C1)N Z332378208 [1,0,0,0,0,0|0,1,1]=3 39 B11R1.1 COCOC1=CC=C(C=C1)N Z1259226853 [1,0,0,0,0,0|3,0,0]=4 40 B11R1.1 CSCCC1=CC=C(C=C1)N Z732207426 [1,0,0,0,0,0|2,0,1]=4 41 B11R1.1 NC/C=C/C1=CC=C(C=C1)Br Z2235681463 [1,0,0,0,0,0|3,0,0]=4 42 B11R1.1 NC1=CC=C(C=C1)OCCF Z1262631146 [1,0,0,0,0,0|3,0,0]=4 43 B11R1.1 NC1=CC=C(C=C1)OCCO Z332379386 [1,0,0,0,0,0|3,0,0]=4 44 B11R1.1 NCCCC1=CC=C(C=C1)N Z5453008768 [1,0,0,0,0,0|2,0,1]=4 45 B11R1.1 OC/C=C/C1=CC=C(C=C1)O Z2235811101 [1,0,0,0,0,0|3,0,0]=4 46 B11R1.16 C/C=C/C(=O)C1=CC=CC=C1 Z2259130553 [1,0,0,0,0,0|1,0,1]=3 47 B11R1.16 CCCC(=O)C1=CC=CC=C1 Z104477742 [1,0,0,0,0,0|1,0,0]=2 48 B11R1.16 CCCC(=O)C1=CN=CC=C1 Z513733856 [1,0,0,0,0,0|2,0,0]=3 49 B11R1.16 CCCC(=O)C1=NC=CC=C1 Z513733774 [1,0,0,0,0,0|2,0,0]=3 50 B11R1.16 CCCC(O)C1=CC=CC=C1 Z335244704 [1,0,0,0,0,0|1,0,2]=4 51 B11R1.16 CCOC(=O)C1=CC=CC=C1 Z53835169 [1,0,0,0,0,0|0,0,0]=1 52 B11R1.16 CCOC(=O)C1=CC=NC=C1 Z53833081 [1,0,0,0,0,0|1,0,0]=2 53 B11R1.16 CCOC(=O)C1=CN=CC=C1 Z104476924 [1,0,0,0,0,0|1,0,0]=2 54 B11R1.16 CCOC(=O)C1=NC=CN=C1 Z53835886 [1,0,0,0,0,0|2,0,0]=3 55 B11R1.16 CSCC(=O)C1=CC=CC=C1 Z732208586 [1,0,0,0,0,0|2,0,0]=3 56 B11R1.16 N#CCC(=O)C1=CC=CC=C1 Z56899088 [1,0,0,0,0,0|2,0,1]=4 57 B11R1.16 N#CNC(=O)C1=CC=CC=C1 Z276572712 [1,0,0,0,0,0|2,0,1]=4 58 B11R1.16 NCCS(=O)C1=CC=CC=C1 Z1266854955 [1,0,0,0,0,0|3,0,0]=4 59 B11R1.16 O=C(CCCl)C1=CC=CC=C1 Z1065610596 [1,0,0,0,0,0|2,0,0]=3 60 B11R1.16 O=C(NCO)C1=CC=CC=C1 Z56799838 [1,0,0,0,0,0|2,0,0]=3 61 B11R1.16 O=C(NCO)C1=CN=CC=C1 Z57472937 [1,0,0,0,0,0|3,0,0]=4 62 B11R1.16 O=S(CCCl)C1=CC=CC=C1 Z421771494 [1,0,0,0,0,0|3,0,0]=4 63 B11R1.22 C#CC(=O)C1=CC=C(C=C1)Cl Z1266856320 [1,0,0,0,0,0|1,0,2]=4 64 B11R1.22 C=C(CO)C1=CC=C(C=C1)C Z1896562587 [1,0,0,0,0,0|3,0,0]=4 65 B11R1.22 C=CC(=O)C1=CC=C(C=C1)O Z1416178613 [1,0,0,0,0,0|1,0,2]=4 66 B11R1.22 CC1=CC=C(C=C1)C(=O)CBr Z104481640 [1,0,0,0,0,0|2,0,0]=3 67 B11R1.22 CC1=CC=C(C=C1)C(=O)CCl Z56886309 [1,0,0,0,0,0|2,0,0]=3 68 B11R1.22 CC1=CC=C(C=C1)C(=O)CN Z275368898 [1,0,0,0,0,0|2,0,0]=3 69 B11R1.22 CC1=CC=C(C=C1)C(=O)CO Z228585628 [1,0,0,0,0,0|2,0,0]=3 70 B11R1.22 CC1=CC=C(C=C1)C(=O)NO Z59182007 [1,0,0,0,0,0|3,0,0]=4 71 B11R1.22 CCC(=O)C1=CC=C(C=C1)Br Z104485724 [1,0,0,0,0,0|1,0,0]=2 72 B11R1.22 CCC(=O)C1=CC=C(C=C1)Cl Z104477486 [1,0,0,0,0,0|1,0,0]=2 73 B11R1.22 CCC(=O)C1=CC=C(C=C1)F Z104477898 [1,0,0,0,0,0|1,0,0]=2 74 B11R1.22 CCC(=O)C1=CC=C(C=C1)I Z285137052 [1,0,0,0,0,0|1,0,0]=2 75 B11R1.22 CCC(=O)C1=CC=C(C=C1)N Z1203578051 [1,0,0,0,0,0|0,0,0]=1 76 B11R1.22 CCC(=O)C1=CC=C(C=C1)O Z104499156 [1,0,0,0,0,0|1,0,0]=2 77 B11R1.22 CCC(=O)C1=CN=C(C=C1)F Z1216820526 [1,0,0,0,0,0|2,0,0]=3 78 B11R1.22 CCC(=O)C1=NC=C(C=C1)F Z1341677536 [1,0,0,0,0,0|2,0,0]=3 79 B11R1.22 CCC(C)C1=CC=C(C=C1)O Z104484172 [1,0,0,0,0,0|2,0,1]=4 80 B11R1.22 CCC(N)C1=CC=C(C=C1)Br Z90662172 [1,0,0,0,0,0|2,0,1]=4 81 B11R1.22 CCC(N)C1=CC=C(C=C1)C Z90662186 [1,0,0,0,0,0|2,0,1]=4 82 B11R1.22 CCC(N)C1=CC=C(C=C1)Cl Z221421644 [1,0,0,0,0,0|2,0,1]=4 83 B11R1.22 CCC(O)C1=CC=C(C=C1)C Z228586316 [1,0,0,0,0,0|1,0,2]=4 84 B11R1.22 CCC(O)C1=CC=C(C=C1)Cl Z228586168 [1,0,0,0,0,0|1,0,2]=4 85 B11R1.22 CCC(O)C1=CC=C(C=C1)F Z228586174 [1,0,0,0,0,0|1,0,2]=4 86 B11R1.22 CCC(O)C1=CC=C(C=C1)O Z228586170 [1,0,0,0,0,0|1,0,2]=4 87 B11R1.22 CCS(=O)C1=CC=C(C=C1)F Z1154828228 [1,0,0,0,0,0|2,0,0]=3 88 B11R1.22 CC[C@@H](N)C1=CC=C(C=C1)F Z1626921240 [1,0,0,0,0,0|2,0,1]=4 89 B11R1.22 CC[C@H](N)C1=CC=C(C=C1)F Z1625822291 [1,0,0,0,0,0|2,0,1]=4 90 B11R1.22 CNC(=O)C1=CC=C(C=C1)Br Z30272262 [1,0,0,0,0,0|2,0,0]=3 91 B11R1.22 CNC(=O)C1=CC=C(C=C1)C Z32016517 [1,0,0,0,0,0|2,0,0]=3 92 B11R1.22 CNC(=O)C1=CC=C(C=C1)Cl Z32016366 [1,0,0,0,0,0|2,0,0]=3 93 B11R1.22 CNC(=O)C1=CC=C(C=C1)I Z30272273 [1,0,0,0,0,0|2,0,0]=3 94 B11R1.22 CNC(=O)C1=CC=C(C=C1)N Z56985799 [1,0,0,0,0,0|1,0,0]=2 95 B11R1.22 CNC(=O)C1=CC=C(C=C1)O Z183855140 [1,0,0,0,0,0|2,0,0]=3 96 B11R1.22 CNC(=O)C1=CN=C(C=C1)Cl Z32016558 [1,0,0,0,0,0|3,0,0]=4 97 B11R1.22 CNC(=O)C1=CNC(=O)C=C1 Z812517114 [1,0,0,0,0,0|3,0,0]=4 98 B11R1.22 CNC(=O)C1=NC=C(C=C1)Br Z1065605118 [1,0,0,0,0,0|3,0,0]=4 99 B11R1.22 CNC(=O)C1=NC=C(C=C1)Cl Z1227711542 [1,0,0,0,0,0|3,0,0]=4 100 B11R1.22 CNC(=O)C1=NC=C(C=C1)N Z1438226266 [1,0,0,0,0,0|2,0,0]=3 101 B11R1.22 CNC(=O)C1=NN=C(C=C1)N Z959885408 [1,0,0,0,0,0|3,0,0]=4 102 B11R1.22 COC(=O)C1=CC=C(C=C1)Br Z19682625 [1,0,0,0,0,0|1,0,0]=2 103 B11R1.22 COC(=O)C1=CC=C(C=C1)I Z19776689 [1,0,0,0,0,0|1,0,0]=2 104 B11R1.22 COC(=O)C1=CC=C(C=C1)N Z54178705 [1,0,0,0,0,0|0,0,0]=1 105 B11R1.22 COC(=O)C1=CC=C(C=C1)O Z19674820 [1,0,0,0,0,0|1,0,0]=2 106 B11R1.22 COC(=O)C1=CN=C(C=C1)Br Z1269148380 [1,0,0,0,0,0|2,0,0]=3 107 B11R1.22 COC(=O)C1=CN=C(C=C1)C Z237546062 [1,0,0,0,0,0|2,0,0]=3 108 B11R1.22 COC(=O)C1=CN=C(C=C1)Cl Z18370508 [1,0,0,0,0,0|2,0,0]=3 109 B11R1.22 COC(=O)C1=CN=C(C=C1)F Z1255446614 [1,0,0,0,0,0|2,0,0]=3 110 B11R1.22 COC(=O)C1=CN=C(C=C1)N Z1117858114 [1,0,0,0,0,0|1,0,0]=2 111 B11R1.22 COC(=O)C1=CN=C(N=C1)Br Z1269131286 [1,0,0,0,0,0|3,0,0]=4 112 B11R1.22 COC(=O)C1=CN=C(N=C1)Cl Z1198180929 [1,0,0,0,0,0|3,0,0]=4 113 B11R1.22 COC(=O)C1=CN=C(N=C1)N Z1198177019 [1,0,0,0,0,0|2,0,0]=3 114 B11R1.22 COC(=O)C1=CNC(=O)C=C1 Z166630186 [1,0,0,0,0,0|2,0,0]=3 115 B11R1.22 COC(=O)C1=CNC(=O)N=C1 Z1251413884 [1,0,0,0,0,0|3,0,0]=4 116 B11R1.22 COC(=O)C1=COC(=O)C=C1 Z955121426 [1,0,0,0,0,0|2,0,0]=3 117 B11R1.22 COC(=O)C1=NC=C(C=C1)Br Z1065600802 [1,0,0,0,0,0|2,0,0]=3 118 B11R1.22 COC(=O)C1=NC=C(C=C1)Cl Z2903977159 [1,0,0,0,0,0|2,0,0]=3 119 B11R1.22 COC(=O)C1=NC=C(C=C1)I Z1322794368 [1,0,0,0,0,0|2,0,0]=3 120 B11R1.22 COC(=O)C1=NC=C(C=N1)Cl Z1255421748 [1,0,0,0,0,0|3,0,0]=4 121 B11R1.22 COC(=O)C1=NC=C(N=C1)Cl Z1255427779 [1,0,0,0,0,0|3,0,0]=4 122 B11R1.22 COC(=O)C1=NC=C(N=C1)F Z1255432621 [1,0,0,0,0,0|3,0,0]=4 123 B11R1.22 COC(=O)C1=NC=C(N=C1)N Z1198223353 [1,0,0,0,0,0|2,0,0]=3 124 B11R1.22 COC(=O)C1=NN=C(C=C1)Br Z1151174615 [1,0,0,0,0,0|3,0,0]=4 125 B11R1.22 COC(=O)C1=NN=C(C=C1)C Z1255400513 [1,0,0,0,0,0|3,0,0]=4 126 B11R1.22 COC(=O)C1=NN=C(C=C1)Cl Z381058224 [1,0,0,0,0,0|3,0,0]=4 127 B11R1.22 COC(=O)C1=NN=C(C=C1)F Z1939445297 [1,0,0,0,0,0|3,0,0]=4 128 B11R1.22 COC(=O)C1=NN=C(C=C1)N Z502411570 [1,0,0,0,0,0|2,0,0]=3 129 B11R1.22 COC(=O)C1=NN=C(N=C1)N Z3083125654 [1,0,0,0,0,0|3,0,0]=4 130 B11R1.22 COC(=O)C1=NNC(=O)C=C1 Z1198176370 [1,0,0,0,0,0|3,0,0]=4 131 B11R1.22 NC1=CC=C(C=C1)/C(=N/O)/N Z364003706 [1,0,0,0,0,0|3,0,0]=4 132 B11R1.22 NCC(=O)C1=CC=C(C=C1)Br Z1741980207 [1,0,0,0,0,0|2,0,0]=3 133 B11R1.22 NCC(=O)C1=CC=C(C=C1)Cl Z56928681 [1,0,0,0,0,0|2,0,0]=3 134 B11R1.22 NCC(=O)C1=CC=C(C=C1)F Z275365838 [1,0,0,0,0,0|2,0,0]=3 135 B11R1.22 NCC(=O)C1=CC=C(C=C1)O Z1198177329 [1,0,0,0,0,0|2,0,0]=3 136 B11R1.22 NCC(=O)C1=CN=C(C=C1)Cl Z2768165577 [1,0,0,0,0,0|3,0,0]=4 137 B11R1.22 NNC(=O)C1=CC=C(C=C1)Br Z56899079 [1,0,0,0,0,0|3,0,0]=4 138 B11R1.22 NNC(=O)C1=CC=C(C=C1)F Z56862389 [1,0,0,0,0,0|3,0,0]=4 139 B11R1.22 NNC(=O)C1=CC=C(C=C1)N Z57199627 [1,0,0,0,0,0|2,0,0]=3 140 B11R1.22 NNC(=O)C1=CC=C(C=C1)O Z57036327 [1,0,0,0,0,0|3,0,0]=4 141 B11R1.22 O=C(CBr)C1=CC=C(C=C1)Br Z57708731 [1,0,0,0,0,0|2,0,0]=3 142 B11R1.22 O=C(CBr)C1=CC=C(C=C1)Cl Z104484576 [1,0,0,0,0,0|2,0,0]=3 143 B11R1.22 O=C(CBr)C1=CC=C(C=C1)F Z104495742 [1,0,0,0,0,0|2,0,0]=3 144 B11R1.22 O=C(CBr)C1=CN=C(C=C1)F Z1269156690 [1,0,0,0,0,0|3,0,0]=4 145 B11R1.22 O=C(CCl)C1=CC=C(C=C1)Br Z56886257 [1,0,0,0,0,0|2,0,0]=3 146 B11R1.22 O=C(CCl)C1=CC=C(C=C1)Cl Z104477840 [1,0,0,0,0,0|2,0,0]=3 147 B11R1.22 O=C(CCl)C1=CC=C(C=C1)F Z104478978 [1,0,0,0,0,0|2,0,0]=3 148 B11R1.22 O=C(CCl)C1=CC=C(C=C1)I Z57046985 [1,0,0,0,0,0|2,0,0]=3 149 B11R1.22 O=C(CCl)C1=CC=C(C=C1)O Z104378296 [1,0,0,0,0,0|2,0,0]=3 150 B11R1.22 O=C(CO)C1=CC=C(C=C1)Cl Z906206720 [1,0,0,0,0,0|2,0,0]=3 151 B11R1.22 O=C(NO)C1=CC=C(C=C1)Br Z59181930 [1,0,0,0,0,0|3,0,0]=4 152 B11R1.22 O=C(NO)C1=CC=C(C=C1)Cl Z59181938 [1,0,0,0,0,0|3,0,0]=4 153 B11R1.22 O=C(NO)C1=CC=C(C=C1)I Z59181951 [1,0,0,0,0,0|3,0,0]=4 154 B11R1.22 O=CC(=O)C1=CC=C(C=C1)Br Z1269163105 [1,0,0,0,0,0|2,0,1]=4 155 B13R1.1 CCOC(C#N)C1=CC=C(C=C1)C Z1270207120 [0,1,0,0,0,0|2,0,1]=4 156 B13R1.17 C#CCNC(=O)C1=CC=C(C=C1)Br Z52404043 [0,1,0,0,0,0|2,0,1]=4 157 B13R1.17 C#CCNC(=O)C1=CC=C(C=C1)Cl Z52403935 [0,1,0,0,0,0|2,0,1]=4 158 B13R1.17 C#CCNC(=O)C1=CC=C(C=C1)F Z52403932 [0,1,0,0,0,0|2,0,1]=4 159 B13R1.17 C#CCNC(=O)C1=CC=C(C=C1)I Z52403973 [0,1,0,0,0,0|2,0,1]=4 160 B13R1.17 C/C=N/NC(=O)C1=CC=C(C=C1)Cl Z57101908 [0,1,0,0,0,0|2,0,1]=4 161 B13R1.17 C=CCNC(=O)C1=CC=C(C=C1)Cl Z32064558 [0,1,0,0,0,0|2,0,1]=4 162 B13R1.17 C=CCNC(=O)C1=CC=C(C=C1)F Z32064555 [0,1,0,0,0,0|2,0,1]=4 163 B13R1.17 C=CCNC(=O)C1=CC=C(C=C1)N Z317077190 [0,1,0,0,0,0|1,0,1]=3 164 B13R1.17 CC1=CC=C(C=C1)C(=O)NCC#N Z56801319 [0,1,0,0,0,0|2,0,1]=4 165 B13R1.17 CC1=CC=C(C=C1)C(=O)NCCN Z259720736 [0,1,0,0,0,0|2,0,0]=3 166 B13R1.17 CCCCC(=O)C1=CC=C(C=C1)F Z104483210 [0,1,0,0,0,0|2,0,0]=3 167 B13R1.17 CCCCN(C)C1=CC=C(C=C1)N Z285202632 [0,1,0,0,0,0|3,0,0]=4 168 B13R1.17 CCCNC(=O)C1=CC=C(C=C1)N Z607822600 [0,1,0,0,0,0|1,0,0]=2 169 B13R1.17 CCCNC(=O)C1=CN=C(C=C1)C Z237806076 [0,1,0,0,0,0|3,0,0]=4 170 B13R1.17 CCCNC(=O)C1=CN=C(C=C1)Cl Z33030598 [0,1,0,0,0,0|3,0,0]=4 171 B13R1.17 CCCNC(=O)C1=CN=C(C=C1)F Z1183725597 [0,1,0,0,0,0|3,0,0]=4 172 B13R1.17 CCCOC(=O)C1=CC=C(C=C1)C Z53835724 [0,1,0,0,0,0|1,0,0]=2 173 B13R1.17 CCCOC(=O)C1=CC=C(C=C1)Cl Z53833147 [0,1,0,0,0,0|1,0,0]=2 174 B13R1.17 COCCC(=O)C1=CC=C(C=C1)F Z447807240 [0,1,0,0,0,0|2,0,0]=3 175 B13R1.17 N#CCCC(=O)C1=CC=C(C=C1)Br Z440602696 [0,1,0,0,0,0|2,0,1]=4 176 B13R1.17 N#CCCC(=O)C1=CC=C(C=C1)Cl Z440602698 [0,1,0,0,0,0|2,0,1]=4 177 B13R1.17 N#CCNC(=O)C1=CC=C(C=C1)Br Z600498322 [0,1,0,0,0,0|2,0,1]=4 178 B13R1.17 NC1=CC=C(C=C1)C(=O)NCCO Z390184974 [0,1,0,0,0,0|1,0,0]=2 179 B13R1.17 NCCNC(=O)C1=CC=C(C=C1)Br Z259720692 [0,1,0,0,0,0|2,0,0]=3 180 B13R1.17 NCCNC(=O)C1=CC=C(C=C1)Cl Z285139152 [0,1,0,0,0,0|2,0,0]=3 181 B13R1.17 NCCNC(=O)C1=CC=C(C=C1)F Z259720696 [0,1,0,0,0,0|2,0,0]=3 182 B13R1.17 NCCNC(=O)C1=CC=C(C=C1)O Z285197958 [0,1,0,0,0,0|2,0,0]=3 183 B13R1.17 NCCNC(=O)C1=NC=C(C=C1)Br Z2445760236 [0,1,0,0,0,0|3,0,0]=4 184 B13R1.17 NCCNC(=O)C1=NC=C(C=C1)Cl Z1455674448 [0,1,0,0,0,0|3,0,0]=4 185 B13R1.17 O=C(CCCO)C1=CC=C(C=C1)F Z228585372 [0,1,0,0,0,0|2,0,0]=3 186 B13R1.17 O=C(NCCO)C1=CC=C(C=C1)Cl Z31725206 [0,1,0,0,0,0|2,0,0]=3 187 B13R1.17 O=C(NCCO)C1=CC=C(C=C1)O Z253505576 [0,1,0,0,0,0|2,0,0]=3 188 B13R1.17 O=C(NCCO)C1=NC=C(C=C1)Br Z1065600868 [0,1,0,0,0,0|3,0,0]=4 189 B13R1.21 CCN(C)C(=O)C1=CN=C(C=C1)Cl Z347221360 [0,1,0,0,0,0|3,0,0]=4 190 B13R1.21 CON(C)C(=O)C1=CC=C(C=C1)F Z54739555 [0,1,0,0,0,0|3,0,0]=4 191 B13R1.21 CON(C)C(=O)C1=CC=C(C=C1)N Z234896801 [0,1,0,0,0,0|2,0,0]=3 192 B13R1.29 CCNS(=O)(=O)C1=CC=C(C=C1)Br Z45528325 [0,1,0,0,0,0|3,0,0]=4 193 B13R1.29 CCNS(=O)(=O)C1=CC=C(C=C1)C Z45528338 [0,1,0,0,0,0|3,0,0]=4 194 B13R1.29 CCNS(=O)(=O)C1=CC=C(C=C1)Cl Z45528324 [0,1,0,0,0,0|3,0,0]=4 195 B13R1.29 CCNS(=O)(=O)C1=CC=C(C=C1)F Z45528341 [0,1,0,0,0,0|3,0,0]=4 196 B13R1.29 CCNS(=O)(=O)C1=CC=C(C=C1)I Z111456838 [0,1,0,0,0,0|3,0,0]=4 197 B13R1.29 CCNS(=O)(=O)C1=CC=C(C=C1)N Z111577334 [0,1,0,0,0,0|2,0,0]=3 198 B13R1.29 CCOS(=O)(=O)C1=CC=C(C=C1)C Z57169563 [0,1,0,0,0,0|2,0,0]=3 199 B13R1.29 NC1=CC=C(C=C1)S(=O)(=O)CCO Z1268152352 [0,1,0,0,0,0|3,0,0]=4 200 B13R1.132 CC(=CC(=O)C1=CC=C(C=C1)F)C Z1313486101 [0,1,0,0,0,0|2,0,1]=4 201 B13R1.132 CC(=O)CC(=O)C1=CC=C(C=C1)Br Z56941083 [0,1,0,0,0,0|2,0,1]=4 202 B13R1.132 CC(=O)CC(=O)C1=CC=C(C=C1)C Z56941082 [0,1,0,0,0,0|2,0,1]=4 203 B13R1.132 CC(=O)CC(=O)C1=CC=C(C=C1)Cl Z56876401 [0,1,0,0,0,0|2,0,1]=4 204 B13R1.132 CC(=O)CC(=O)C1=CC=C(C=C1)F Z56911911 [0,1,0,0,0,0|2,0,1]=4 205 B13R1.132 CC(C)CC(=O)C1=CC=C(C=C1)Cl Z385417372 [0,1,0,0,0,0|2,0,0]=3 206 B13R1.132 CC(C)NC(=O)C1=CC=C(C=C1)Cl Z31385854 [0,1,0,0,0,0|2,0,0]=3 207 B13R1.132 CC(C)NC(=O)C1=CC=C(C=C1)N Z239124428 [0,1,0,0,0,0|1,0,0]=2 208 B13R1.132 CC(C)NC(=O)C1=CN=C(C=C1)Cl Z31386046 [0,1,0,0,0,0|3,0,0]=4 209 B13R1.132 CC(C)OC(=O)C1=CC=C(C=C1)Cl Z53833146 [0,1,0,0,0,0|1,0,0]=2 210 B13R1.132 CC(C)OC(=O)C1=CC=C(C=C1)N Z54178707 [0,1,0,0,0,0|0,0,0]=1 211 B13R1.132 CC(C)OC(=O)C1=CC=C(C=C1)O Z53833637 [0,1,0,0,0,0|1,0,0]=2 212 B13R1.132 CC(C)OC(=O)C1=NC=C(C=C1)F Z1655715727 [0,1,0,0,0,0|2,0,0]=3 213 B13R1.132 CC(N)CC(=O)C1=CC=C(C=C1)F Z1431002692 [0,1,0,0,0,0|2,0,0]=3 214 B13R1.452 CCCC(=O)C1=CC=C(C=C1)OC Z385418282 [0,1,0,0,0,0|2,0,0]=3 215 B13R1.452 CCNC(=O)C1=CC=C(C=C1)C=O Z1068186388 [0,1,0,0,0,0|2,0,0]=3 216 B13R1.452 CCNC(=O)C1=CC=C(C=C1)CN Z239125928 [0,1,0,0,0,0|1,0,0]=2 217 B13R1.452 CCNC(=O)C1=CC=C(C=C1)OC Z32024428 [0,1,0,0,0,0|2,0,0]=3 218 B13R1.452 CCOC(=O)C1=CC=C(C=C1)CN Z56788169 [0,1,0,0,0,0|0,0,0]=1 219 B13R1.452 CCOC(=O)C1=CC=C(C=C1)SC Z292454850 [0,1,0,0,0,0|1,0,0]=2 220 B13R1.452 CONC(=O)C1=CC=C(C=C1)C#N Z188880130 [0,1,0,0,0,0|2,0,1]=4 221 B13R1.452 CONC(=O)C1=CC=C(C=C1)OC Z240605130 [0,1,0,0,0,0|3,0,0]=4 222 B13R1.466 CCCC(=O)C1=CC(=C(C=C1)Cl)Cl Z389926872 [0,1,0,0,0,0|2,0,0]=3 223 B13R1.466 CCNC(=O)C1=CC(=C(C=C1)C)I Z1090275538 [0,1,0,0,0,0|2,0,0]=3 224 B13R1.466 CCNC(=O)C1=CC(=C(C=C1)C)N Z239124824 [0,1,0,0,0,0|2,0,0]=3 225 B13R1.466 CCNC(=O)C1=CC(=C(N=C1)Br)Br Z2216606029 [0,1,0,0,0,0|3,0,0]=4 226 B13R1.466 CCOC(=O)C1=CC(=C(C=C1)Br)Cl Z1269181841 [0,1,0,0,0,0|1,0,0]=2 227 B13R1.466 CCOC(=O)C1=CC(=C(C=C1)Cl)N Z53836841 [0,1,0,0,0,0|1,0,0]=2 228 B13R1.466 CCOC(=O)C1=CC(=C(C=C1)F)F Z292646542 [0,1,0,0,0,0|1,0,0]=2 229 B13R1.466 CCOC(=O)C1=CC(=C(C=C1)I)N Z1079174236 [0,1,0,0,0,0|1,0,0]=2 230 B13R1.466 CCOC(=O)C1=CC(=C(C=C1)N)Br Z300089520 [0,1,0,0,0,0|0,0,0]=1 231 B13R1.466 CCOC(=O)C1=CC(=C(C=C1)N)Cl Z3847061950 [0,1,0,0,0,0|0,0,0]=1 232 B13R1.466 CCOC(=O)C1=CC(=C(C=C1)N)O Z594210704 [0,1,0,0,0,0|0,0,0]=1 233 B13R1.466 CCOC(=O)C1=NC(=C(C=C1)Cl)Cl Z1269160484 [0,1,0,0,0,0|2,0,0]=3 234 B13R1.466 CCOC(=O)C1=NC(=C(C=N1)Br)Cl Z1649573972 [0,1,0,0,0,0|3,0,0]=4 235 B13R1.466 CCOC(=O)C1=NC(=C(C=N1)I)Cl Z2527858437 [0,1,0,0,0,0|3,0,0]=4 236 B13R1.466 CONC(=O)C1=CC(=C(C=C1)C)C Z247486236 [0,1,0,0,0,0|3,0,0]=4 237 B13R1.466 CONC(=O)C1=CC(=C(C=C1)C)F Z247486444 [0,1,0,0,0,0|3,0,0]=4 238 B13R1.466 CONC(=O)C1=CC(=C(C=C1)C)I Z1090925878 [0,1,0,0,0,0|3,0,0]=4 239 B13R1.466 CONC(=O)C1=CC(=C(C=C1)I)C Z1119040360 [0,1,0,0,0,0|3,0,0]=4 240 B13R1.466 CONC(=O)C1=CC(=C(C=C1)I)F Z1127961092 [0,1,0,0,0,0|3,0,0]=4 241 B13R1.1511 CCCC(=O)C1=C(C=C(C=C1)Cl)Cl Z802544640 [0,1,0,0,0,0|2,0,0]=3 242 B13R1.1511 CCNC(=O)C1=C(C=C(C=C1)Cl)Cl Z32024432 [0,1,0,0,0,0|2,0,0]=3 243 B13R1.1511 CCNC(=O)C1=C(C=C(C=C1)Cl)N Z239124804 [0,1,0,0,0,0|2,0,0]=3 244 B13R1.1511 CCNC(=O)C1=C(C=C(C=C1)Cl)O Z68258951 [0,1,0,0,0,0|2,0,0]=3 245 B13R1.1511 CCNC(=O)C1=C(C=C(C=C1)F)Br Z90728444 [0,1,0,0,0,0|2,0,0]=3 246 B13R1.1511 CCNC(=O)C1=C(C=C(C=C1)F)Cl Z32024895 [0,1,0,0,0,0|2,0,0]=3 247 B13R1.1511 CCNC(=O)C1=C(C=C(C=C1)I)Cl Z1090275550 [0,1,0,0,0,0|2,0,0]=3 248 B13R1.1511 CCOC(=O)C1=C(C=C(C=C1)F)Br Z283348920 [0,1,0,0,0,0|1,0,0]=2 249 B13R1.1511 CCOC(=O)C1=C(C=C(C=C1)F)C Z1198166822 [0,1,0,0,0,0|1,0,0]=2 250 B13R1.1511 CCOC(=O)C1=C(C=C(C=C1)F)F Z53836105 [0,1,0,0,0,0|1,0,0]=2 251 B13R1.1511 CCOC(=O)C1=C(C=C(N=C1)Br)Cl Z2310130184 [0,1,0,0,0,0|2,0,0]=3 252 B13R1.1511 CCOC(=O)C1=C(C=C(N=C1)Cl)Cl Z1262255699 [0,1,0,0,0,0|2,0,0]=3 253 B13R1.1511 CCOC(=O)C1=C(C=C(N=N1)Cl)Cl Z1269237931 [0,1,0,0,0,0|3,0,0]=4 254 B13R1.1511 CCOC(=O)C1=C(C=C(N=N1)O)O Z3235029602 [0,1,0,0,0,0|3,0,0]=4 255 B13R1.1511 CCOC(=O)C1=C(N=C(C=C1)Cl)Cl Z962652392 [0,1,0,0,0,0|2,0,0]=3 256 B13R1.1511 CCOC(=O)C1=C(N=C(N=C1)Br)C Z1587311278 [0,1,0,0,0,0|3,0,0]=4 257 B13R1.1511 CCOC(=O)C1=C(N=C(N=C1)C)Br Z2044745522 [0,1,0,0,0,0|3,0,0]=4 258 B13R1.1511 CCOC(=O)C1=C(N=C(N=C1)C)N Z445289902 [0,1,0,0,0,0|3,0,0]=4 259 B13R1.1511 CCOC(=O)C1=C(N=C(N=C1)Cl)C Z1269180990 [0,1,0,0,0,0|3,0,0]=4 260 B13R1.1511 CCOC(=O)C1=C(N=C(N=C1)Cl)Cl Z1269125797 [0,1,0,0,0,0|3,0,0]=4 261 B13R1.1511 CCOC(=O)C1=C(N=C(N=C1)F)F Z4934248518 [0,1,0,0,0,0|3,0,0]=4 262 B13R1.1511 CCOC(=O)C1=C(N=C(N=C1)N)O Z2070537902 [0,1,0,0,0,0|2,0,0]=3 263 B13R1.1511 CCOC(=O)C1=C(N=C(N=C1)S)O Z317042702 [0,1,0,0,0,0|3,0,0]=4 264 B13R1.1511 CCOC(=O)C1=C(N=C(N=C1)[S-])N Z57040525 [0,1,0,0,0,0|3,0,0]=4 265 B13R1.1511 CCOC(=O)C1=CNC(=CC1=O)O Z1270640440 [0,1,0,0,0,0|2,0,0]=3 266 B13R1.1511 CCOC(=O)C1=CNC(=O)N=C1C Z1582263071 [0,1,0,0,0,0|3,0,0]=4 267 B13R1.1511 CCOC(=O)C1=NC=C(NC1=O)C Z3036746829 [0,1,0,0,0,0|3,0,0]=4 268 B13R1.1511 CONC(=O)C1=C(C=C(C=C1)Br)F Z193294486 [0,1,0,0,0,0|3,0,0]=4 269 B13R1.1511 CONC(=O)C1=C(C=C(C=C1)C)C Z247486226 [0,1,0,0,0,0|3,0,0]=4 270 B13R1.1511 CONC(=O)C1=C(C=C(C=C1)Cl)Cl Z245507028 [0,1,0,0,0,0|3,0,0]=4 271 B13R1.1511 CONC(=O)C1=C(C=C(C=C1)F)Cl Z247486244 [0,1,0,0,0,0|3,0,0]=4 272 B13R1.1511 CONC(=O)C1=C(C=C(C=C1)F)F Z247486214 [0,1,0,0,0,0|3,0,0]=4 273 B13R2.12 BrC1=CC=C(C=C1)C2OCCO2 Z1269186914 [0,0,0,1,0,0|1,0,2]=4 274 B13R2.12 CC1=CC=C(C=C1)C2=NCCN2 Z283690302 [0,0,0,1,0,0|3,0,0]=4 275 B13R2.12 ClC1=CC=C(C=C1)C2=NCCN2 Z235362997 [0,0,0,1,0,0|3,0,0]=4 276 B13R2.12 NC1=CC=C(C=C1)C2=CC=CO2 Z1742055083 [0,0,0,1,0,0|1,0,2]=4 277 B13R2.12 NC1=CC=C(C=C1)C2=CN=CO2 Z478697638 [0,0,0,1,0,0|2,0,1]=4 278 B13R2.12 NC1=CC=C(C=C1)C2=NC=CO2 Z815304296 [0,0,0,1,0,0|1,0,2]=4 279 B13R2.12 NC1=CC=C(C=C1)C2=NC=NO2 Z760031264 [0,0,0,1,0,0|2,0,1]=4 280 B13R2.12 NC1=CC=C(C=C1)C2=NN=CO2 Z228586394 [0,0,0,1,0,0|2,0,1]=4 281 B13R2.12 NC1=CC=C(C=C1)C2SCCS2 Z119989558 [0,0,0,1,0,0|0,2,1]=4 282 B13R2.12 NC1=CC=C(C=C1)N2CCCC2 Z90122552 [0,0,0,1,0,0|3,0,0]=4 283 B13R2.520 CC1=CC=C(C=C1)C(=O)C2CC2 Z99599706 [0,0,0,1,0,0|2,0,0]=3 284 B13R2.520 NC1=CC=C(C=C1)C(=O)C2CC2 Z2429426254 [0,0,0,1,0,0|1,0,0]=2 285 B13R2.520 O=C(C1=CC=C(C=C1)Br)C2CC2 Z385417650 [0,0,0,1,0,0|2,0,0]=3 286 B13R2.520 O=C(C1=CC=C(C=C1)F)C2CC2 Z361989374 [0,0,0,1,0,0|2,0,0]=3 287 B13R2.5179 CN1CCCC2=C1C=CC(=C2)N Z334596472 [0,0,0,1,0,0|3,0,0]=4 288 B13R2.5179 NC1=CC2=C(C=C1)C(=O)C=CN2 Z1820178046 [0,0,0,1,0,0|2,0,1]=4 289 B13R2.5179 NC1=CC2=C(C=C1)C(=O)CCC2 Z968852624 [0,0,0,1,0,0|1,0,0]=2 290 B13R2.5179 NC1=CC2=C(C=C1)C(=O)NC=C2 Z1255396439 [0,0,0,1,0,0|1,0,2]=4 291 B13R2.5179 NC1=CC2=C(C=C1)C(=O)NC=N2 Z3616141083 [0,0,0,1,0,0|2,0,1]=4 292 B13R2.5179 NC1=CC2=C(C=C1)C(=O)NCC2 Z1198280382 [0,0,0,1,0,0|1,0,0]=2 293 B13R2.5179 NC1=NC2=C(C=C1)C(=O)CCC2 Z1198334034 [0,0,0,1,0,0|2,0,0]=3 294 B13R2.5179 NC1=NC2=C(C=N1)C(=O)CCC2 Z361989360 [0,0,0,1,0,0|3,0,0]=4 295 B13R2.5179 NC1=NC2=C(C=N1)C(=O)NCC2 Z1551937667 [0,0,0,1,0,0|3,0,0]=4 296 B13R2.5179 O=C1C=C2CCCC(=O)C2=CN1 Z1255464911 [0,0,0,1,0,0|3,0,0]=4 297 B13R2.5179 O=C1C=CC2=C(N1)CCCC2=O Z57107743 [0,0,0,1,0,0|3,0,0]=4 298 B13R2.5179 O=C1C=CC2=C(O1)CCCC2=O Z56766426 [0,0,0,1,0,0|3,0,0]=4 299 B13R2.5179 O=C1CCCC2=C1C=CC(=C2)F Z1198183228 [0,0,0,1,0,0|2,0,0]=3 300 B13R2.5179 O=C1CCCC2=C1C=CC(=C2)O Z877546758 [0,0,0,1,0,0|2,0,0]=3 301 B13R2.5179 O=C1CCCC2=C1C=CC(=N2)Cl Z1198181042 [0,0,0,1,0,0|3,0,0]=4 302 B13R2.5179 O=C1CCCC2=CC(=NC=C12)Cl Z1255441743 [0,0,0,1,0,0|3,0,0]=4 303 B13R2.5179 O=C1CCOC2=C1C=CC(=C2)Cl Z1198222022 [0,0,0,1,0,0|3,0,0]=4 304 B13R2.5179 O=C1CCOC2=C1C=CC(=C2)O Z1198180631 [0,0,0,1,0,0|3,0,0]=4 305 B13R2.5179 O=C1COCC2=C1C=CC(=C2)Br Z1269218551 [0,0,0,1,0,0|3,0,0]=4 306 B13R2.5179 O=C1COCC2=C1C=CC(=C2)Cl Z1255365577 [0,0,0,1,0,0|3,0,0]=4 307 B13R2.5179 O=C1NCCC2=C1C=CC(=C2)Br Z1192379518 [0,0,0,1,0,0|2,0,0]=3 308 B13R2.5179 O=C1NCCC2=C1C=CC(=C2)Cl Z1198164329 [0,0,0,1,0,0|2,0,0]=3 309 B13R2.5179 O=C1NCCC2=C1C=CC(=C2)F Z1198164327 [0,0,0,1,0,0|2,0,0]=3 310 B13R2.5179 O=C1NCCC2=C1C=CC(=C2)O Z1198175558 [0,0,0,1,0,0|2,0,0]=3 311 B13R2.5179 O=C1OCCC2=C1C=CC(=C2)Br Z1269190773 [0,0,0,1,0,0|1,0,0]=2 312 B13R2.5179 OB1OCCC2=C1C=CC(=C2)Cl Z4636749583 [0,0,0,1,0,0|2,0,1]=4 313 B13R2.5179 OB1OCCC2=C1C=CC(=C2)F Z1939450320 [0,0,0,1,0,0|2,0,1]=4 314 B13R2.5187 CC1OB(C2=C1C=C(C=C2)Cl)O Z1504679572 [0,0,0,1,0,0|2,0,1]=4 315 B13R2.5187 CC1OB(C2=C1C=C(C=C2)F)O Z1504678266 [0,0,0,1,0,0|2,0,1]=4 316 B13R2.5187 NC1=CC2=C(C=C1)C(=O)NC2=O Z56795283 [0,0,0,1,0,0|2,0,1]=4 317 B11R1.15 CCNC(=O)C1=CC(=CN1)Br Z183864280 [0,0,0,0,1,0|3,0,0]=4 318 B11R1.15 CCNC(=O)C1=CC=C(O1)Br Z32024589 [0,0,0,0,1,0|3,0,0]=4 319 B11R1.15 CCNC(=O)C1=CC=C(S1)C Z32024412 [0,0,0,0,1,0|3,0,0]=4 320 B11R1.15 CCNC(=O)C1=CC=C(S1)Cl Z32024516 [0,0,0,0,1,0|3,0,0]=4 321 B11R1.15 CCNC(=O)C1=CSC(=C1)I Z1151267912 [0,0,0,0,1,0|3,0,0]=4 322 B11R1.15 CCOC(=O)C1=CC(=CN1)Br Z283387614 [0,0,0,0,1,0|2,0,0]=3 323 B11R1.15 CCOC(=O)C1=CC(=CN1)F Z1255392371 [0,0,0,0,1,0|2,0,0]=3 324 B11R1.15 CCOC(=O)C1=CC(=CN1)N Z1295580423 [0,0,0,0,1,0|1,0,0]=2 325 B11R1.15 CCOC(=O)C1=CC(=NN1)C Z335451448 [0,0,0,0,1,0|3,0,0]=4 326 B11R1.15 CCOC(=O)C1=CC=C(N1)Br Z1269164038 [0,0,0,0,1,0|2,0,0]=3 327 B11R1.15 CCOC(=O)C1=CC=C(O1)Cl Z292566016 [0,0,0,0,1,0|2,0,0]=3 328 B11R1.15 CCOC(=O)C1=CN(C=C1)C Z1198315028 [0,0,0,0,1,0|2,0,0]=3 329 B11R1.15 CCOC(=O)C1=CN=C(N1)S Z1198159497 [0,0,0,0,1,0|3,0,0]=4 330 B11R1.15 CCOC(=O)C1=CN=C(O1)N Z1201623573 [0,0,0,0,1,0|2,0,0]=3 331 B11R1.15 CCOC(=O)C1=CN=C(S1)N Z744606094 [0,0,0,0,1,0|2,0,0]=3 332 B11R1.15 CCOC(=O)C1=CNC(=C1)C Z1255391095 [0,0,0,0,1,0|2,0,0]=3 333 B11R1.15 CCOC(=O)C1=CNC(=N1)C Z1198160507 [0,0,0,0,1,0|3,0,0]=4 334 B11R1.15 CCOC(=O)C1=COC(=C1)C Z1255385163 [0,0,0,0,1,0|2,0,0]=3 335 B11R1.15 CCOC(=O)C1=COC(=N1)C Z1162445878 [0,0,0,0,1,0|3,0,0]=4 336 B11R1.15 CCOC(=O)C1=COC(=N1)N Z1201623660 [0,0,0,0,1,0|2,0,0]=3 337 B11R1.15 CCOC(=O)C1=CSC(=N1)C Z48850613 [0,0,0,0,1,0|3,0,0]=4 338 B11R1.15 CCOC(=O)C1=CSC(=N1)N Z48847558 [0,0,0,0,1,0|2,0,0]=3 339 B11R1.15 CCOC(=O)C1=CSC(=N1)O Z1255367240 [0,0,0,0,1,0|3,0,0]=4 340 B11R1.15 CCOC(=O)C1=NC(=CN1)N Z2689172071 [0,0,0,0,1,0|2,0,0]=3 341 B11R1.15 CCOC(=O)C1=NC=C(O1)C Z1198234155 [0,0,0,0,1,0|3,0,0]=4 342 B11R1.15 CCOC(=O)C1=NC=C(S1)I Z1270528623 [0,0,0,0,1,0|3,0,0]=4 343 B11R1.15 CCOC(=O)C1=NN(C=C1)C Z1198164769 [0,0,0,0,1,0|3,0,0]=4 344 B11R1.15 CCOC(=O)C1=NN=C(S1)N Z1201622009 [0,0,0,0,1,0|3,0,0]=4 345 B11R1.15 CCOC(=O)C1=NNC(=C1)O Z1198219309 [0,0,0,0,1,0|3,0,0]=4 346 B11R1.15 CCOC(=O)C1=NOC(=C1)Cl Z1255405175 [0,0,0,0,1,0|3,0,0]=4 347 B13R1.19 CCCC(=O)NC1=CC=C(C=C1)Br Z27786845 [0,0,0,0,0,1|2,0,0]=3 348 B13R1.19 CCCC(=O)NC1=NC=C(C=C1)C Z71579617 [0,0,0,0,0,1|3,0,0]=4 349 B13R1.19 CCCC(=O)NC1=NC=C(C=C1)Cl Z71484787 [0,0,0,0,0,1|3,0,0]=4 350 B13R1.19 CCCS(=O)CC1=CC=C(C=C1)Br Z2933960114 [0,0,0,0,0,1|3,0,0]=4 351 B13R1.19 CCNC(=O)CC1=CC=C(C=C1)F Z32024691 [0,0,0,0,0,1|2,0,0]=3 352 B13R1.19 CCNC(=O)CC1=CC=C(C=C1)N Z239124818 [0,0,0,0,0,1|1,0,0]=2 353 B13R1.19 CCNC(=O)NC1=CC=C(C=C1)C Z44589983 [0,0,0,0,0,1|2,0,0]=3 354 B13R1.19 CCNC(=O)NC1=CC=C(C=C1)F Z44586779 [0,0,0,0,0,1|2,0,0]=3 355 B13R1.19 CCOC(=O)CC1=CC=C(C=C1)F Z53835949 [0,0,0,0,0,1|1,0,0]=2 356 B13R1.19 CCOC(=O)CC1=CN=C(N=C1)Cl Z1269169927 [0,0,0,0,0,1|3,0,0]=4 357 B13R1.19 CCOC(=O)CC1=NC=C(C=C1)N Z1262633765 [0,0,0,0,0,1|1,0,0]=2 358 B13R1.19 CCOC(=O)CC1=NC=C(C=N1)O Z1813344960 [0,0,0,0,0,1|3,0,0]=4 359 B13R1.19 CCOC(=O)CC1=NN=C(C=C1)Cl Z1269154732 [0,0,0,0,0,1|3,0,0]=4 360 B13R1.19 CCOC(=O)NC1=CC=C(C=C1)Br Z31510257 [0,0,0,0,0,1|1,0,0]=2 361 B13R1.19 CCOC(=O)NC1=CC=C(C=C1)I Z32028321 [0,0,0,0,0,1|1,0,0]=2 362 B13R1.19 CCOC(=O)NC1=CC=C(C=C1)N Z283822580 [0,0,0,0,0,1|0,0,0]=1 363 B13R1.19 CCOC(=O)NC1=CC=C(C=C1)O Z64464377 [0,0,0,0,0,1|1,0,0]=2 364 B13R1.19 CCOC(=O)NC1=NC=C(C=C1)Br Z56754173 [0,0,0,0,0,1|2,0,0]=3 365 B13R1.19 CNCC(=O)NC1=CC=C(C=C1)C Z46191128 [0,0,0,0,0,1|3,0,0]=4 366 B13R1.19 CNCC(=O)NC1=CC=C(C=C1)Cl Z56957571 [0,0,0,0,0,1|3,0,0]=4 367 B13R1.19 CNCC(=O)NC1=CC=C(C=C1)F Z46191184 [0,0,0,0,0,1|3,0,0]=4 368 B13R1.19 CNCC(=O)NC1=CC=C(C=C1)O Z1162448845 [0,0,0,0,0,1|3,0,0]=4 369 B13R1.19 COCC(=O)NC1=CC=C(C=C1)Br Z31510666 [0,0,0,0,0,1|3,0,0]=4 370 B13R1.19 COCC(=O)NC1=CC=C(C=C1)F Z31837970 [0,0,0,0,0,1|3,0,0]=4 371 B13R1.19 COCC(=O)NC1=CC=C(C=C1)I Z32028730 [0,0,0,0,0,1|3,0,0]=4 372 B13R1.19 COCC(=O)NC1=CC=C(C=C1)N Z239120948 [0,0,0,0,0,1|2,0,0]=3 373 B13R1.19 CSCC(=O)NC1=CC=C(C=C1)Cl Z28161059 [0,0,0,0,0,1|3,0,0]=4 374 B13R1.19 CSCC(=O)NC1=CC=C(C=C1)O Z351737026 [0,0,0,0,0,1|3,0,0]=4 375 B13R1.19 NCCC(=O)NC1=CC=C(C=C1)Br Z744754404 [0,0,0,0,0,1|3,0,0]=4 376 B13R1.19 O=C(CCCl)NC1=CC=C(C=C1)Br Z240090024 [0,0,0,0,0,1|3,0,0]=4 377 B13R1.19 O=C(CCCl)NC1=CC=C(C=C1)Cl Z57805686 [0,0,0,0,0,1|3,0,0]=4 378 B13R1.19 O=C(CCCl)NC1=CC=C(C=C1)F Z240090040 [0,0,0,0,0,1|3,0,0]=4 379 B13R1.19 O=C(CCCl)NC1=CC=C(C=C1)O Z425490042 [0,0,0,0,0,1|3,0,0]=4 380 B10R1.1 CCCC1=CC=C(C=C1)Br Z299596168 [2,0,0,0,0,0|1,0,1]=4 381 B10R1.1 CCCC1=CC=C(C=C1)N Z104492166 [2,0,0,0,0,0|0,0,1]=3 382 B10R1.1 CCNC1=CC=C(C=C1)Br Z286365048 [2,0,0,0,0,0|2,0,0]=4 383 B10R1.1 CCNC1=CC=C(C=C1)Cl Z2902298062 [2,0,0,0,0,0|2,0,0]=4 384 B10R1.1 CCNC1=CC=C(C=C1)F Z89270849 [2,0,0,0,0,0|2,0,0]=4 385 B10R1.1 CCNC1=CC=C(C=C1)N Z359511474 [2,0,0,0,0,0|1,0,0]=3 386 B10R1.1 CCNC1=CC=C(C=C1)O Z1823256830 [2,0,0,0,0,0|2,0,0]=4 387 B10R1.1 CCOC1=CC=C(C=C1)C Z53834228 [2,0,0,0,0,0|1,0,0]=3 388 B10R1.1 CCOC1=CC=C(C=C1)N Z57127438 [2,0,0,0,0,0|0,0,0]=2 389 B10R1.1 CCOC1=CC=C(C=C1)S Z166646982 [2,0,0,0,0,0|1,0,0]=3 390 B10R1.1 CCOC1=NC=C(C=C1)N Z240084310 [2,0,0,0,0,0|1,0,0]=3 391 B10R1.1 CCSC1=NC=C(C=C1)N Z332377604 [2,0,0,0,0,0|1,1,0]=4 392 B10R1.1 COCC1=CC=C(C=C1)N Z240084568 [2,0,0,0,0,0|0,0,1]=3 393 B10R1.1 CSCC1=CC=C(C=C1)N Z732207336 [2,0,0,0,0,0|0,1,1]=4 394 B10R1.1 NC1=CC=C(C=C1)CCO Z276600190 [2,0,0,0,0,0|1,0,1]=4 395 B10R1.17 CCCCC1=CC=CC=C1 Z104492496 [2,0,0,0,0,0|1,0,1]=4 396 B10R1.17 CCNCC1=CC=CC=C1 Z57327176 [2,0,0,0,0,0|1,0,1]=4 397 B10R1.17 NC/C=C/C1=CC=CC=C1 Z2953771905 [2,0,0,0,0,0|2,0,0]=4 398 B10R1.17 OC/C=C/C1=CC=CC=C1 Z104473562 [2,0,0,0,0,0|2,0,0]=4 399 B10R1.15 C=C(CN)C1=CC=CC=C1 Z2065464323 [2,0,0,0,0,0|2,0,0]=4 400 B10R1.15 CCC(=O)C1=CC=CC=C1 Z104473068 [2,0,0,0,0,0|0,0,0]=2 401 B10R1.15 CCC(=O)C1=CC=NC=C1 Z513733916 [2,0,0,0,0,0|1,0,0]=3 402 B10R1.15 CCC(=O)C1=CN=CN=C1 Z992240310 [2,0,0,0,0,0|2,0,0]=4 403 B10R1.15 CCC(N)C1=CC=CC=C1 Z1262252904 [2,0,0,0,0,0|1,0,1]=4 404 B10R1.15 CCC(O)C1=CC=CC=C1 Z335245178 [2,0,0,0,0,0|0,0,2]=4 405 B10R1.15 CNC(=N)C1=CC=CC=C1 Z2096088186 [2,0,0,0,0,0|2,0,0]=4 406 B10R1.15 CNC(=O)C1=CC=CC=C1 Z32016410 [2,0,0,0,0,0|1,0,0]=3 407 B10R1.15 CNC(=O)C1=NC=CC=C1 Z32016284 [2,0,0,0,0,0|2,0,0]=4 408 B10R1.15 COC(=O)C1=CC=CC=C1 Z19825577 [2,0,0,0,0,0|0,0,0]=2 409 B10R1.15 COC(=O)C1=CN=CC=C1 Z57036282 [2,0,0,0,0,0|1,0,0]=3 410 B10R1.15 COC(=O)C1=NC=CC=C1 Z19673259 [2,0,0,0,0,0|1,0,0]=3 411 B10R1.15 COC(=O)C1=NC=CN=C1 Z18351140 [2,0,0,0,0,0|2,0,0]=4 412 B10R1.15 NCC(=O)C1=CC=CC=C1 Z600428568 [2,0,0,0,0,0|1,0,0]=3 413 B10R1.15 NCC(=O)C1=CC=NC=C1 Z2677521709 [2,0,0,0,0,0|2,0,0]=4 414 B10R1.15 NNC(=O)C1=CC=CC=C1 Z56926669 [2,0,0,0,0,0|2,0,0]=4 415 B10R1.15 O=C(CCl)C1=CC=CC=C1 Z57834468 [2,0,0,0,0,0|1,0,0]=3 416 B10R1.15 O=C(CCl)C1=CC=NC=C1 Z1198181039 [2,0,0,0,0,0|2,0,0]=4 417 B10R1.15 O=C(CCl)C1=CN=CC=C1 Z2768198137 [2,0,0,0,0,0|2,0,0]=4 418 B10R1.15 O=C(CCl)C1=NC=CC=C1 Z1205657985 [2,0,0,0,0,0|2,0,0]=4 419 B10R1.15 O=C(CO)C1=CC=CC=C1 Z906206792 [2,0,0,0,0,0|1,0,0]=3 420 B10R1.15 O=C(NO)C1=CC=CC=C1 Z56912029 [2,0,0,0,0,0|2,0,0]=4 421 B10R1.15 O=CC(=O)C1=CC=CC=C1 Z1954804411 [2,0,0,0,0,0|1,0,1]=4 422 B10R1.13 CC(=O)C1=CC=C(C=C1)Br Z57127459 [2,0,0,0,0,0|1,0,0]=3 423 B10R1.13 CC(=O)C1=CC=C(C=C1)C Z57127458 [2,0,0,0,0,0|1,0,0]=3 424 B10R1.13 CC(=O)C1=CC=C(C=C1)Cl Z57127462 [2,0,0,0,0,0|1,0,0]=3 425 B10R1.13 CC(=O)C1=CC=C(C=C1)F Z57127466 [2,0,0,0,0,0|1,0,0]=3 426 B10R1.13 CC(=O)C1=CC=C(C=C1)I Z57073725 [2,0,0,0,0,0|1,0,0]=3 427 B10R1.13 CC(=O)C1=CC=C(C=C1)N Z57127377 [2,0,0,0,0,0|0,0,0]=2 428 B10R1.13 CC(=O)C1=CC=C(C=C1)O Z57040434 [2,0,0,0,0,0|1,0,0]=3 429 B10R1.13 CC(=O)C1=CN=C(C=C1)Br Z1269224642 [2,0,0,0,0,0|2,0,0]=4 430 B10R1.13 CC(=O)C1=CN=C(C=C1)Cl Z1201622182 [2,0,0,0,0,0|2,0,0]=4 431 B10R1.13 CC(=O)C1=CN=C(C=C1)F Z1198173101 [2,0,0,0,0,0|2,0,0]=4 432 B10R1.13 CC(=O)C1=NC=C(C=C1)Br Z1945984212 [2,0,0,0,0,0|2,0,0]=4 433 B10R1.13 CC(=O)C1=NC=C(C=C1)Cl Z1198173098 [2,0,0,0,0,0|2,0,0]=4 434 B10R1.13 CC(=O)C1=NC=C(C=C1)F Z1575143877 [2,0,0,0,0,0|2,0,0]=4 435 B10R1.13 CC(C)C1=CC=C(C=C1)N Z104476320 [2,0,0,0,0,0|1,0,1]=4 436 B10R1.13 CC1=CC=C(C=C1)C(=O)O Z57902424 [2,0,0,0,0,0|1,0,0]=3 437 B10R1.13 CC1=CN=C(C=C1)C(=O)O Z1511494596 [2,0,0,0,0,0|2,0,0]=4 438 B10R1.13 CC1=NC=C(C=C1)C(=O)O Z235485476 [2,0,0,0,0,0|2,0,0]=4 439 B10R1.13 CS(=O)C1=CC=C(C=C1)N Z609944508 [2,0,0,0,0,0|1,0,0]=3 440 B10R1.13 NC(=O)C1=CC=C(C=C1)Br Z33546526 [2,0,0,0,0,0|2,0,0]=4 441 B10R1.13 NC(=O)C1=CC=C(C=C1)F Z33546459 [2,0,0,0,0,0|2,0,0]=4 442 B10R1.13 NC(=O)C1=CC=C(C=C1)I Z33546486 [2,0,0,0,0,0|2,0,0]=4 443 B10R1.13 NC(=O)C1=CC=C(C=C1)N Z104474782 [2,0,0,0,0,0|1,0,0]=3 444 B10R1.13 NC(=O)C1=CC=C(C=C1)O Z104502228 [2,0,0,0,0,0|2,0,0]=4 445 B10R1.13 NC(=O)C1=CN=C(C=C1)N Z959893184 [2,0,0,0,0,0|2,0,0]=4 446 B10R1.13 NC(=O)C1=NC=C(C=C1)N Z1116403989 [2,0,0,0,0,0|2,0,0]=4 447 B10R1.13 NC(=S)C1=CC=C(C=C1)N Z234895465 [2,0,0,0,0,0|1,1,0]=4 448 B10R1.13 NC1=CC=C(C=C1)B(O)O Z1741970842 [2,0,0,0,0,0|1,0,1]=4 449 B10R1.13 NC1=CC=C(C=C1)C(=O)O Z57127446 [2,0,0,0,0,0|0,0,0]=2 450 B10R1.13 NC1=CC=C(C=C1)[N+](=O)[O-] Z275127984 [2,0,0,0,0,0|1,0,1]=4 451 B10R1.13 NC1=CN=C(C=C1)C(=O)O Z1649677869 [2,0,0,0,0,0|1,0,0]=3 452 B10R1.13 NC1=NC=C(C=C1)C(=O)O Z90122558 [2,0,0,0,0,0|1,0,0]=3 453 B10R1.13 NC1=NC=C(C=N1)C(=O)O Z274575484 [2,0,0,0,0,0|2,0,0]=4 454 B10R1.13 NC1=NN=C(C=C1)C(=O)O Z502337450 [2,0,0,0,0,0|2,0,0]=4 455 B10R1.13 O=C(O)C1=CC=C(C=C1)Br Z57127530 [2,0,0,0,0,0|1,0,0]=3 456 B10R1.13 O=C(O)C1=CC=C(C=C1)Cl Z104473324 [2,0,0,0,0,0|1,0,0]=3 457 B10R1.13 O=C(O)C1=CC=C(C=C1)F Z57367354 [2,0,0,0,0,0|1,0,0]=3 458 B10R1.13 O=C(O)C1=CC=C(C=C1)I Z57636572 [2,0,0,0,0,0|1,0,0]=3 459 B10R1.13 O=C(O)C1=CC=C(C=C1)O Z104498098 [2,0,0,0,0,0|1,0,0]=3 460 B10R1.13 O=C(O)C1=CC=C(C=C1)S Z223639246 [2,0,0,0,0,0|1,0,0]=3 461 B10R1.13 O=C(O)C1=CN=C(C=C1)Br Z1258919772 [2,0,0,0,0,0|2,0,0]=4 462 B10R1.13 O=C(O)C1=CN=C(C=C1)Cl Z104476110 [2,0,0,0,0,0|2,0,0]=4 463 B10R1.13 O=C(O)C1=CN=C(C=C1)F Z1182395505 [2,0,0,0,0,0|2,0,0]=4 464 B10R1.13 O=C(O)C1=CN=C(C=C1)O Z104500708 [2,0,0,0,0,0|2,0,0]=4 465 B10R1.13 O=C(O)C1=NC=C(C=C1)Br Z972791012 [2,0,0,0,0,0|2,0,0]=4 466 B10R1.13 O=C(O)C1=NC=C(C=C1)Cl Z1201622823 [2,0,0,0,0,0|2,0,0]=4 467 B10R1.13 O=C(O)C1=NC=C(C=C1)I Z1069125846 [2,0,0,0,0,0|2,0,0]=4 468 B10R1.13 O=C1C=CC(=CO1)C(=O)O Z104472302 [2,0,0,0,0,0|2,0,0]=4 469 B10R1.13 O=P(O)C1=CC=C(C=C1)Cl Z56798029 [2,0,0,0,0,0|2,0,0]=4 470 B12R1.1 CNC/C=C/C1=CC=C(C=C1)Br Z1834223589 [1,1,0,0,0,0|2,0,0]=4 471 B12R1.1 COCCNC1=CC=C(C=C1)N Z812516870 [1,1,0,0,0,0|2,0,0]=4 472 B12R1.1 COCCSC1=CC=C(C=C1)N Z412014166 [1,1,0,0,0,0|2,0,0]=4 473 B12R1.1 NC1=CC=C(C=C1)CCCCO Z1262622677 [1,1,0,0,0,0|1,0,1]=4 474 B12R1.1 NC1=CC=C(C=C1)COCCO Z332379572 [1,1,0,0,0,0|0,0,1]=3 475 B12R1.1 NC1=CC=C(C=C1)OCCCO Z382707186 [1,1,0,0,0,0|2,0,0]=4 476 B12R1.1 NC1=CC=C(C=C1)SCCCO Z412012390 [1,1,0,0,0,0|2,0,0]=4 477 B12R1.1 NCC/C=C/C1=CC=C(C=C1)Br Z2651620817 [1,1,0,0,0,0|2,0,0]=4 478 B12R1.1 NCCOCC1=CC=C(C=C1)Cl Z1511495255 [1,1,0,0,0,0|1,0,1]=4 479 B12R1.21 CC(C)CCC1=CC=C(C=C1)N Z424736042 [1,1,0,0,0,0|1,0,1]=4 480 B12R1.21 CC(C)OCC1=CC=C(C=C1)Br Z823855528 [1,1,0,0,0,0|1,0,1]=4 481 B12R1.21 CC(C)OCC1=CC=C(C=C1)N Z285178068 [1,1,0,0,0,0|0,0,1]=3 482 B12R1.49 CCC(=O)NC1=CC=C(C=C1)N Z432066898 [1,1,0,0,0,0|2,0,0]=4 483 B12R1.49 CCC(C)OC1=CC=C(C=C1)N Z274541874 [1,1,0,0,0,0|2,0,0]=4 484 B12R1.69 CCCOC1=C(C=C(C=C1)N)C Z2689925106 [1,1,0,0,0,0|2,0,0]=4 485 B12R1.69 CCCOC1=C(C=C(C=C1)N)Cl Z239873352 [1,1,0,0,0,0|2,0,0]=4 486 B12R1.69 CCCOC1=C(C=C(C=C1)N)F Z406677828 [1,1,0,0,0,0|2,0,0]=4 487 B12R1.71 CCCCC1=CC=C(C=C1)NC Z1331041631 [1,1,0,0,0,0|1,0,1]=4 488 B12R1.71 CCCOC1=CC=C(C=C1)CN Z57102483 [1,1,0,0,0,0|2,0,0]=4 489 B12R1.71 CCOCC1=CC=C(C=C1)C#N Z295205422 [1,1,0,0,0,0|0,0,2]=4 490 B12R1.385 CCCOC1=CC(=C(C=C1)N)C Z239604814 [1,1,0,0,0,0|2,0,0]=4 491 B12R1.3 CCCC(C=O)C1=CC=CC=C1 Z1251357295 [1,1,0,0,0,0|1,0,1]=4 492 B12R1.3 CCOC(C#N)C1=CC=CC=C1 Z1270207114 [1,1,0,0,0,0|1,0,1]=4 493 B12R1.17 CCCC(=O)C1=NC=CC(=C1)C Z1160863703 [1,1,0,0,0,0|2,0,0]=4 494 B12R1.17 CCNC(=O)C1=CC(=CC=C1)Cl Z32024415 [1,1,0,0,0,0|1,0,0]=3 495 B12R1.17 CCNC(=O)C1=CC(=CC=C1)N Z90120590 [1,1,0,0,0,0|1,0,0]=3 496 B12R1.17 CCNC(=O)C1=CC(=CC=C1)O Z32024396 [1,1,0,0,0,0|1,0,0]=3 497 B12R1.17 CCNC(=O)C1=CC(=CN=C1)Br Z30281273 [1,1,0,0,0,0|2,0,0]=4 498 B12R1.17 CCNC(=O)C1=NC(=CC=C1)N Z969100826 [1,1,0,0,0,0|2,0,0]=4 499 B12R1.17 CCNC(=O)C1=NC=CC(=C1)Cl Z82196854 [1,1,0,0,0,0|2,0,0]=4 500 B12R1.17 CCNC(=O)C1=NC=CC(=C1)N Z425852906 [1,1,0,0,0,0|2,0,0]=4 501 B12R1.17 CCOC(=O)C1=CC(=CC=C1)N Z94601364 [1,1,0,0,0,0|0,0,0]=2 502 B12R1.17 CCOC(=O)C1=CC(=NC=C1)Cl Z293052298 [1,1,0,0,0,0|1,0,0]=3 503 B12R1.17 CCOC(=O)C1=CC(=NN=C1)Br Z1862009872 [1,1,0,0,0,0|2,0,0]=4 504 B12R1.17 CCOC(=O)C1=NC(=CC=C1)Br Z1209388585 [1,1,0,0,0,0|1,0,0]=3 505 B12R1.17 CCOC(=O)C1=NC(=CC=C1)Cl Z987238224 [1,1,0,0,0,0|1,0,0]=3 506 B12R1.17 CCOC(=O)C1=NC(=CC=C1)N Z4764606887 [1,1,0,0,0,0|1,0,0]=3 507 B12R1.17 CCOC(=O)C1=NC(=CC=N1)Cl Z1198277492 [1,1,0,0,0,0|2,0,0]=4 508 B12R1.17 CCOC(=O)C1=NC(=NC=C1)Cl Z1198176967 [1,1,0,0,0,0|2,0,0]=4 509 B12R1.17 CCOC(=O)C1=NC(=NC=C1)N Z1416184718 [1,1,0,0,0,0|2,0,0]=4 510 B12R1.17 CCOC(=O)C1=NC=NC(=C1)O Z2689031686 [1,1,0,0,0,0|2,0,0]=4 511 B12R1.17 COCC(=O)C1=CC(=CC=C1)Cl Z447898040 [1,1,0,0,0,0|2,0,0]=4 512 B12R1.17 CONC(=O)C1=CC(=CC=C1)I Z193289686 [1,1,0,0,0,0|2,0,0]=4 513 B12R1.30 C#CCCC(=O)C1=CC=CC=C1 Z406376668 [1,1,0,0,0,0|1,0,1]=4 514 B12R1.30 C#CCNC(=O)C1=CC=CC=C1 Z52404005 [1,1,0,0,0,0|1,0,1]=4 515 B12R1.30 C=CCCC(=O)C1=CC=CC=C1 Z406376458 [1,1,0,0,0,0|1,0,1]=4 516 B12R1.30 CCCNC(=O)C1=CN=CC=C1 Z33030407 [1,1,0,0,0,0|2,0,0]=4 517 B12R1.30 CCCNC(=O)C1=NC=CC=C1 Z33030324 [1,1,0,0,0,0|2,0,0]=4 518 B12R1.30 CCCOC(=O)C1=CC=CC=C1 Z53835171 [1,1,0,0,0,0|0,0,0]=2 519 B12R1.30 CCN/N=C(\N)/C1=CC=CC=C1 Z56770998 [1,1,0,0,0,0|2,0,0]=4 520 B12R1.30 CCSCC(=O)C1=CC=CC=C1 Z447928014 [1,1,0,0,0,0|0,1,0]=3 521 B12R1.30 CSCCC(=O)C1=CC=CC=C1 Z1201679033 [1,1,0,0,0,0|1,0,0]=3 522 B12R1.30 N#CCCC(=O)C1=CC=CC=C1 Z168884010 [1,1,0,0,0,0|1,0,1]=4 523 B12R1.30 NCCNC(=O)C1=CC=CC=C1 Z235363051 [1,1,0,0,0,0|1,0,0]=3 524 B12R1.30 NCCNC(=O)C1=CN=CC=C1 Z259720702 [1,1,0,0,0,0|2,0,0]=4 525 B12R1.30 O=C(CCCCl)C1=CC=CC=C1 Z104477558 [1,1,0,0,0,0|1,0,0]=3 526 B12R1.30 O=C(NCCO)C1=CC=CC=C1 Z31725250 [1,1,0,0,0,0|1,0,0]=3 527 B12R1.30 O=C(NCCO)C1=CC=NC=C1 Z31725198 [1,1,0,0,0,0|2,0,0]=4 528 B12R1.30 O=C(NCCO)C1=CN=CC=C1 Z31725207 [1,1,0,0,0,0|2,0,0]=4 529 B12R1.30 O=C(OCCCl)C1=CC=CC=C1 Z56928949 [1,1,0,0,0,0|0,0,0]=2 530 B12R1.30 O=C(OCCO)C1=CC=CC=C1 Z228585788 [1,1,0,0,0,0|0,0,0]=2 531 B12R1.34 CC(CO)C(=O)C1=CC=CC=C1 Z1198183441 [1,1,0,0,0,0|2,0,0]=4 532 B12R1.34 CCC(=O)C(=O)C1=CC=CC=C1 Z1251352835 [1,1,0,0,0,0|1,0,0]=3 533 B12R1.107 CC(C)CC(=O)C1=CC=CC=C1 Z104484314 [1,1,0,0,0,0|1,0,0]=3 534 B12R1.107 CC(C)CC(=O)C1=CC=NC=C1 Z513733930 [1,1,0,0,0,0|2,0,0]=4 535 B12R1.107 CC(C)CC(=O)C1=NC=CC=C1 Z513733780 [1,1,0,0,0,0|2,0,0]=4 536 B12R1.107 CC(C)OC(=O)C1=CC=NC=C1 Z53833082 [1,1,0,0,0,0|1,0,0]=3 537 B12R1.107 CC(C)OC(=O)C1=CN=CC=C1 Z209417626 [1,1,0,0,0,0|1,0,0]=3 538 B12R1.107 CC(N)CC(=O)C1=CC=CC=C1 Z1413780437 [1,1,0,0,0,0|1,0,0]=3 539 B12R1.308 CCCC(=O)C1=C(C=CC=C1)Cl Z733415242 [1,1,0,0,0,0|1,0,0]=3 540 B12R1.308 CCNC(=O)C1=C(C=CC=C1)Br Z30281214 [1,1,0,0,0,0|1,0,0]=3 541 B12R1.308 CCNC(=O)C1=C(C=CC=C1)Cl Z32024315 [1,1,0,0,0,0|1,0,0]=3 542 B12R1.308 CCNC(=O)C1=C(C=CC=C1)N Z99599872 [1,1,0,0,0,0|1,0,0]=3 543 B12R1.308 CCNC(=O)C1=C(C=CC=C1)O Z252387016 [1,1,0,0,0,0|1,0,0]=3 544 B12R1.308 CCNC(=O)C1=C(N=CC=C1)Cl Z32024438 [1,1,0,0,0,0|2,0,0]=4 545 B12R1.308 CCOC(=O)C1=C(C=CC=C1)O Z53833295 [1,1,0,0,0,0|0,0,0]=2 546 B12R1.308 CCOC(=O)C1=C(C=CC=N1)N Z1119051055 [1,1,0,0,0,0|1,0,0]=3 547 B12R1.308 CCOC(=O)C1=C(C=CN=C1)N Z1198166874 [1,1,0,0,0,0|1,0,0]=3 548 B12R1.308 CCOC(=O)C1=C(C=NC=C1)N Z1201622438 [1,1,0,0,0,0|1,0,0]=3 549 B12R1.308 CCOC(=O)C1=C(C=NC=N1)Cl Z1198316378 [1,1,0,0,0,0|2,0,0]=4 550 B12R1.308 CCOC(=O)C1=C(N=CC=C1)C Z1020694348 [1,1,0,0,0,0|1,0,0]=3 551 B12R1.308 CCOC(=O)C1=C(N=CC=C1)Cl Z53834299 [1,1,0,0,0,0|1,0,0]=3 552 B12R1.308 CCOC(=O)C1=C(N=CC=C1)N Z54734987 [1,1,0,0,0,0|1,0,0]=3 553 B12R1.308 CCOC(=O)C1=C(N=CC=C1)O Z53837718 [1,1,0,0,0,0|1,0,0]=3 554 B12R1.308 CCOC(=O)C1=C(N=CN=C1)O Z1436472914 [1,1,0,0,0,0|2,0,0]=4 555 B12R1.308 CCOC(=O)C1=C(N=NC=C1)Cl Z1255373892 [1,1,0,0,0,0|2,0,0]=4 556 B12R1.308 NCCC(=O)C1=C(C=CC=C1)N Z2037273395 [1,1,0,0,0,0|2,0,0]=4 557 B12R1.5 C#CC1=CC=C(C=C1)C(=O)CCl Z1262485899 [1,1,0,0,0,0|2,0,0]=4 558 B12R1.5 C#CC1=CC=C(C=C1)C(=O)OC Z1198151571 [1,1,0,0,0,0|1,0,0]=3 559 B12R1.5 C#CC1=NC=C(C=C1)C(=O)OC Z1122484055 [1,1,0,0,0,0|2,0,0]=4 560 B12R1.5 C=CC1=CC=C(C=C1)C(=O)CCl Z1999524831 [1,1,0,0,0,0|2,0,0]=4 561 B12R1.5 CCC(=O)C1=CC=C(C=C1)C#N Z1251353904 [1,1,0,0,0,0|0,0,1]=3 562 B12R1.5 CCC(=O)C1=CC=C(C=C1)CC Z285137084 [1,1,0,0,0,0|1,0,0]=3 563 B12R1.5 CCC1=CC=C(C=C1)C(=O)CCl Z56881220 [1,1,0,0,0,0|2,0,0]=4 564 B12R1.5 CNC(=O)C1=CC=C(C=C1)C#N Z32016559 [1,1,0,0,0,0|1,0,1]=4 565 B12R1.5 CNC(=O)C1=CC=C(C=C1)C=O Z235353065 [1,1,0,0,0,0|2,0,0]=4 566 B12R1.5 CNC(=O)C1=CC=C(C=C1)CN Z234893745 [1,1,0,0,0,0|1,0,0]=3 567 B12R1.5 CNC(=O)C1=CC=C(C=C1)OC Z32016396 [1,1,0,0,0,0|2,0,0]=4 568 B12R1.5 CNC(=O)C1=CC=C(C=C1)SC Z51983114 [1,1,0,0,0,0|2,0,0]=4 569 B12R1.5 CNC(=O)C1=NC=C(C=C1)CN Z3071303314 [1,1,0,0,0,0|2,0,0]=4 570 B12R1.5 CNC1=CC=C(C=C1)C(=O)OC Z3014412034 [1,1,0,0,0,0|0,0,0]=2 571 B12R1.5 CNC1=NC=C(C=N1)C(=O)OC Z1939439656 [1,1,0,0,0,0|2,0,0]=4 572 B12R1.5 CNC1=NN=C(C=C1)C(=O)OC Z502405672 [1,1,0,0,0,0|2,0,0]=4 573 B12R1.5 COC(=O)C1=CC=C(C=C1)C#N Z18372983 [1,1,0,0,0,0|0,0,1]=3 574 B12R1.5 COC(=O)C1=CC=C(C=C1)C=O Z18297598 [1,1,0,0,0,0|1,0,0]=3 575 B12R1.5 COC(=O)C1=CC=C(C=C1)CBr Z57358719 [1,1,0,0,0,0|1,0,0]=3 576 B12R1.5 COC(=O)C1=CC=C(C=C1)CN Z56839665 [1,1,0,0,0,0|0,0,0]=2 577 B12R1.5 COC(=O)C1=CC=C(C=C1)CO Z25262776 [1,1,0,0,0,0|1,0,0]=3 578 B12R1.5 COC(=O)C1=CN=C(C=C1)C#N Z1198265899 [1,1,0,0,0,0|1,0,1]=4 579 B12R1.5 COC(=O)C1=CN=C(C=C1)C=O Z1139751256 [1,1,0,0,0,0|2,0,0]=4 580 B12R1.5 COC(=O)C1=CN=C(C=C1)CN Z1993522701 [1,1,0,0,0,0|1,0,0]=3 581 B12R1.5 COC(=O)C1=CN=C(C=C1)CO Z1139751257 [1,1,0,0,0,0|2,0,0]=4 582 B12R1.5 COC(=O)C1=NC=C(C=C1)C#N Z1153263089 [1,1,0,0,0,0|1,0,1]=4 583 B12R1.5 COC(=O)C1=NC=C(C=C1)C=O Z4858117581 [1,1,0,0,0,0|2,0,0]=4 584 B12R1.5 COC(=O)C1=NC=C(C=C1)CN Z2065616400 [1,1,0,0,0,0|1,0,0]=3 585 B12R1.5 COC1=CC=C(C=C1)C(=O)CCl Z56945957 [1,1,0,0,0,0|2,0,0]=4 586 B12R1.5 COC1=CC=C(C=C1)C(=O)CO Z228585822 [1,1,0,0,0,0|2,0,0]=4 587 B12R1.5 CSC1=CC=C(C=C1)C(=O)CCl Z104493412 [1,1,0,0,0,0|2,0,0]=4 588 B12R1.5 N#CC1=CC=C(C=C1)C(=O)CBr Z104496340 [1,1,0,0,0,0|1,0,1]=4 589 B12R1.5 N#CC1=CC=C(C=C1)C(=O)CCl Z854066922 [1,1,0,0,0,0|1,0,1]=4 590 B12R1.5 NCC1=CC=C(C=C1)C(=O)NO Z2065616423 [1,1,0,0,0,0|2,0,0]=4 591 B12R1.9 CCS(=O)(=O)C1=CC=C(C=C1)Br Z432548638 [1,1,0,0,0,0|2,0,0]=4 592 B12R1.9 CCS(=O)(=O)C1=CC=C(C=C1)F Z425338420 [1,1,0,0,0,0|2,0,0]=4 593 B12R1.9 CCS(=O)(=O)C1=CC=C(C=C1)N Z227830172 [1,1,0,0,0,0|1,0,0]=3 594 B12R1.9 CCS(=O)(=O)C1=NC=C(C=C1)N Z317047116 [1,1,0,0,0,0|2,0,0]=4 595 B12R1.9 CNS(=O)(=O)C1=CC=C(C=C1)N Z56995190 [1,1,0,0,0,0|2,0,0]=4 596 B12R1.12 CC/C(=N/O)/C1=CC=C(C=C1)O Z49568596 [1,1,0,0,0,0|1,0,1]=4 597 B12R1.20 C=C(C)C(=O)C1=CC=C(C=C1)O Z1513599636 [1,1,0,0,0,0|1,0,1]=4 598 B12R1.20 CC(C)C(=O)C1=CC=C(C=C1)Cl Z385417200 [1,1,0,0,0,0|1,0,0]=3 599 B12R1.20 CC(C)C(=O)C1=CC=C(C=C1)N Z1198162397 [1,1,0,0,0,0|0,0,0]=2 600 B12R1.20 CC(C)C(=O)C1=CC=C(C=C1)O Z1198150713 [1,1,0,0,0,0|1,0,0]=3 601 B12R1.20 CC(C)C(=O)C1=NC=C(C=C1)F Z1341677118 [1,1,0,0,0,0|2,0,0]=4 602 B12R1.20 CC(Cl)C(=O)C1=CC=C(C=C1)Br Z56928896 [1,1,0,0,0,0|1,0,0]=3 603 B12R1.20 CC(Cl)C(=O)C1=CC=C(C=C1)Cl Z85933873 [1,1,0,0,0,0|1,0,0]=3 604 B12R1.20 CC(Cl)C(=O)C1=CC=C(C=C1)F Z56968508 [1,1,0,0,0,0|1,0,0]=3 605 B12R1.20 CC(N)C(=O)C1=CC=C(C=C1)Cl Z3023980683 [1,1,0,0,0,0|1,0,0]=3 606 B12R1.20 CC1=CC=C(C=C1)C(=O)C(C)Cl Z56921784 [1,1,0,0,0,0|1,0,0]=3 607 B12R1.20 CC1=CC=C(C=C1)C(=O)C(O)O Z1263714779 [1,1,0,0,0,0|2,0,0]=4 608 B12R1.20 CN(C)C(=O)C1=CC=C(C=C1)Br Z32014422 [1,1,0,0,0,0|2,0,0]=4 609 B12R1.20 CN(C)C(=O)C1=CC=C(C=C1)Cl Z32014358 [1,1,0,0,0,0|2,0,0]=4 610 B12R1.20 CN(C)C(=O)C1=CC=C(C=C1)I Z32014382 [1,1,0,0,0,0|2,0,0]=4 611 B12R1.20 CN(C)C(=O)C1=CC=C(C=C1)N Z56979314 [1,1,0,0,0,0|1,0,0]=3 612 B12R1.20 CN(C)C(=O)C1=CC=C(C=C1)O Z68247175 [1,1,0,0,0,0|2,0,0]=4 613 B12R1.20 CN(C)C(=O)C1=CN=C(C=C1)N Z959882994 [1,1,0,0,0,0|2,0,0]=4 614 B12R1.20 NC1=CC=C(C=C1)C(=O)C(F)F Z3211701572 [1,1,0,0,0,0|1,0,0]=3 615 B12R1.20 O=C(C1=CC=C(C=C1)Br)C(Br)Br Z228591592 [1,1,0,0,0,0|2,0,0]=4 616 B12R1.20 O=C(C1=CC=C(C=C1)F)C(O)O Z1263714872 [1,1,0,0,0,0|2,0,0]=4 617 B12R1.367 CC1=C(C=C(C=C1)C(=O)CBr)C Z56881219 [1,1,0,0,0,0|2,0,0]=4 618 B12R1.367 CC1=C(C=C(C=C1)C(=O)CCl)C Z56891233 [1,1,0,0,0,0|2,0,0]=4 619 B12R1.367 CC1=C(C=C(C=C1)C(=O)CN)Br Z3689015562 [1,1,0,0,0,0|2,0,0]=4 620 B12R1.367 CC1=C(C=CC(=C1)C(=O)CCl)F Z1255486882 [1,1,0,0,0,0|2,0,0]=4 621 B12R1.367 CCC(=O)C1=CC(=C(C=C1)Cl)Cl Z56858267 [1,1,0,0,0,0|1,0,0]=3 622 B12R1.367 CCC(=O)C1=CC(=C(C=C1)Cl)N Z1255492628 [1,1,0,0,0,0|1,0,0]=3 623 B12R1.367 CCC(=O)C1=CC(=C(C=C1)F)N Z1255373684 [1,1,0,0,0,0|1,0,0]=3 624 B12R1.367 CCC(=O)C1=CC(=C(C=C1)O)F Z1255468561 [1,1,0,0,0,0|1,0,0]=3 625 B12R1.367 CCC(=O)C1=CC(=C(C=C1)O)N Z2177031047 [1,1,0,0,0,0|1,0,0]=3 626 B12R1.367 CNC(=O)C1=CC(=C(C=C1)Br)F Z851829140 [1,1,0,0,0,0|2,0,0]=4 627 B12R1.367 CNC(=O)C1=CC(=C(C=C1)C)C Z32016830 [1,1,0,0,0,0|2,0,0]=4 628 B12R1.367 CNC(=O)C1=CC(=C(C=C1)C)F Z135505554 [1,1,0,0,0,0|2,0,0]=4 629 B12R1.367 CNC(=O)C1=CC(=C(C=C1)C)I Z1090926294 [1,1,0,0,0,0|2,0,0]=4 630 B12R1.367 CNC(=O)C1=CC(=C(C=C1)C)N Z239124756 [1,1,0,0,0,0|2,0,0]=4 631 B12R1.367 CNC(=O)C1=CC(=C(C=C1)Cl)Cl Z32016404 [1,1,0,0,0,0|2,0,0]=4 632 B12R1.367 CNC(=O)C1=CC(=C(C=C1)Cl)N Z239124726 [1,1,0,0,0,0|2,0,0]=4 633 B12R1.367 CNC(=O)C1=CC(=C(C=C1)I)C Z1119025243 [1,1,0,0,0,0|2,0,0]=4 634 B12R1.367 CNC(=O)C1=CC(=C(C=C1)I)F Z1127932232 [1,1,0,0,0,0|2,0,0]=4 635 B12R1.367 CNC(=O)C1=CC(=C(C=C1)N)C Z239124740 [1,1,0,0,0,0|1,0,0]=3 636 B12R1.367 CNC(=O)C1=CC(=C(C=C1)N)F Z4969382756 [1,1,0,0,0,0|1,0,0]=3 637 B12R1.367 COC(=O)C1=CC(=C(C=C1)C)Br Z1269194715 [1,1,0,0,0,0|1,0,0]=3 638 B12R1.367 COC(=O)C1=CC(=C(C=C1)C)N Z104483958 [1,1,0,0,0,0|1,0,0]=3 639 B12R1.367 COC(=O)C1=CC(=C(C=C1)C)O Z293101132 [1,1,0,0,0,0|1,0,0]=3 640 B12R1.367 COC(=O)C1=CC(=C(C=C1)Cl)Cl Z19801006 [1,1,0,0,0,0|1,0,0]=3 641 B12R1.367 COC(=O)C1=CC(=C(C=C1)Cl)N Z53836840 [1,1,0,0,0,0|1,0,0]=3 642 B12R1.367 COC(=O)C1=CC(=C(C=C1)F)C Z1098328360 [1,1,0,0,0,0|1,0,0]=3 643 B12R1.367 COC(=O)C1=CC(=C(C=C1)F)N Z235344925 [1,1,0,0,0,0|1,0,0]=3 644 B12R1.367 COC(=O)C1=CC(=C(C=C1)I)O Z1269171510 [1,1,0,0,0,0|1,0,0]=3 645 B12R1.367 COC(=O)C1=CC(=C(C=C1)N)Br Z57468480 [1,1,0,0,0,0|0,0,0]=2 646 B12R1.367 COC(=O)C1=CC(=C(C=C1)N)C Z235351515 [1,1,0,0,0,0|0,0,0]=2 647 B12R1.367 COC(=O)C1=CC(=C(C=C1)N)Cl Z1243607759 [1,1,0,0,0,0|0,0,0]=2 648 B12R1.367 COC(=O)C1=CC(=C(C=C1)N)I Z1269124704 [1,1,0,0,0,0|0,0,0]=2 649 B12R1.367 COC(=O)C1=CC(=C(C=C1)N)O Z594210650 [1,1,0,0,0,0|0,0,0]=2 650 B12R1.367 COC(=O)C1=CC(=C(C=C1)O)Br Z111782420 [1,1,0,0,0,0|1,0,0]=3 651 B12R1.367 COC(=O)C1=CC(=C(C=C1)O)Cl Z25120254 [1,1,0,0,0,0|1,0,0]=3 652 B12R1.367 COC(=O)C1=CC(=C(C=C1)O)F Z1198152178 [1,1,0,0,0,0|1,0,0]=3 653 B12R1.367 COC(=O)C1=CC(=C(C=C1)O)N Z802838774 [1,1,0,0,0,0|1,0,0]=3 654 B12R1.367 COC(=O)C1=CC(=C(N=C1)Cl)Br Z1269219819 [1,1,0,0,0,0|2,0,0]=4 655 B12R1.367 COC(=O)C1=CC(=C(N=C1)Cl)Cl Z18518515 [1,1,0,0,0,0|2,0,0]=4 656 B12R1.367 COC(=O)C1=CC(=C(N=C1)F)Br Z1269174199 [1,1,0,0,0,0|2,0,0]=4 657 B12R1.367 COC(=O)C1=CC(=C(N=C1)F)Cl Z1201626560 [1,1,0,0,0,0|2,0,0]=4 658 B12R1.367 COC(=O)C1=CC(=C(N=C1)N)Br Z1269229201 [1,1,0,0,0,0|1,0,0]=3 659 B12R1.367 COC(=O)C1=CC(=C(N=C1)N)C Z1255388174 [1,1,0,0,0,0|1,0,0]=3 660 B12R1.367 COC(=O)C1=CC(=C(N=C1)N)Cl Z955107360 [1,1,0,0,0,0|1,0,0]=3 661 B12R1.367 COC(=O)C1=CC(=C(N=C1)N)F Z1255398328 [1,1,0,0,0,0|1,0,0]=3 662 B12R1.367 COC(=O)C1=CC(=C(N=C1)N)N Z1255365747 [1,1,0,0,0,0|1,0,0]=3 663 B12R1.367 COC(=O)C1=CC(=C(N=C1)N)O Z1255402198 [1,1,0,0,0,0|1,0,0]=3 664 B12R1.367 COC(=O)C1=CC(=C(N=C1)O)I Z1269115281 [1,1,0,0,0,0|2,0,0]=4 665 B12R1.367 COC(=O)C1=CC=C(C(=O)N1)N Z1993522661 [1,1,0,0,0,0|1,0,0]=3 666 B12R1.367 COC(=O)C1=CNC(=O)C(=C1)N Z425364744 [1,1,0,0,0,0|2,0,0]=4 667 B12R1.367 COC(=O)C1=COC(=O)C(=C1)Br Z1269138230 [1,1,0,0,0,0|2,0,0]=4 668 B12R1.367 COC(=O)C1=NC(=C(C=C1)F)C Z1255467152 [1,1,0,0,0,0|2,0,0]=4 669 B12R1.367 COC(=O)C1=NC(=C(C=C1)N)N Z1966488664 [1,1,0,0,0,0|1,0,0]=3 670 B12R1.367 COC(=O)C1=NC(=C(C=C1)O)N Z3327465872 [1,1,0,0,0,0|2,0,0]=4 671 B12R1.367 COC(=O)C1=NC(=C(N=C1)N)C Z1813199913 [1,1,0,0,0,0|2,0,0]=4 672 B12R1.367 COC(=O)C1=NC=C(C(=C1)N)Br Z3242940308 [1,1,0,0,0,0|2,0,0]=4 673 B12R1.367 NCC(=O)C1=CC(=C(C=C1)Br)F Z2719320982 [1,1,0,0,0,0|2,0,0]=4 674 B12R1.367 NCC(=O)C1=CC(=C(C=C1)Cl)Cl Z1269180328 [1,1,0,0,0,0|2,0,0]=4 675 B12R1.367 O=C(CCl)C1=CC(=C(C=C1)Br)Cl Z1269210166 [1,1,0,0,0,0|2,0,0]=4 676 B12R1.367 O=C(CCl)C1=CC(=C(C=C1)Cl)Cl Z56896209 [1,1,0,0,0,0|2,0,0]=4 677 B12R1.367 O=C(CCl)C1=CC(=C(C=C1)F)Cl Z854067206 [1,1,0,0,0,0|2,0,0]=4 678 B12R1.367 O=C(CCl)C1=CC(=C(C=C1)F)F Z56891298 [1,1,0,0,0,0|2,0,0]=4 679 B12R1.367 O=C(CCl)C1=CC(=C(C=C1)O)O Z56912624 [1,1,0,0,0,0|2,0,0]=4 680 B12R1.367 O=C(CO)C1=CC(=C(C=C1)Cl)Cl Z228585652 [1,1,0,0,0,0|2,0,0]=4 681 B12R1.1703 CC1=CC(=C(C=C1)C(=O)CCl)C Z147641498 [1,1,0,0,0,0|2,0,0]=4 682 B12R1.1703 CCC(=O)C1=C(C=C(C=C1)C)O Z1513595149 [1,1,0,0,0,0|1,0,0]=3 683 B12R1.1703 CCC(=O)C1=C(C=C(C=C1)F)F Z285136992 [1,1,0,0,0,0|1,0,0]=3 684 B12R1.1703 CCC(=O)C1=C(C=C(C=C1)F)O Z1255424803 [1,1,0,0,0,0|1,0,0]=3 685 B12R1.1703 CNC(=O)C1=C(C=C(C=C1)Br)C Z605596250 [1,1,0,0,0,0|2,0,0]=4 686 B12R1.1703 CNC(=O)C1=C(C=C(C=C1)Br)Cl Z605596242 [1,1,0,0,0,0|2,0,0]=4 687 B12R1.1703 CNC(=O)C1=C(C=C(C=C1)C)C Z32016701 [1,1,0,0,0,0|2,0,0]=4 688 B12R1.1703 CNC(=O)C1=C(C=C(C=C1)Cl)N Z239124736 [1,1,0,0,0,0|2,0,0]=4 689 B12R1.1703 CNC(=O)C1=C(C=C(C=C1)Cl)O Z183854114 [1,1,0,0,0,0|2,0,0]=4 690 B12R1.1703 CNC(=O)C1=C(C=C(C=C1)F)Br Z166966662 [1,1,0,0,0,0|2,0,0]=4 691 B12R1.1703 CNC(=O)C1=C(C=C(C=C1)I)Cl Z1090926278 [1,1,0,0,0,0|2,0,0]=4 692 B12R1.1703 CNC(=O)C1=C(C=C(C=C1)N)C Z877632648 [1,1,0,0,0,0|1,0,0]=3 693 B12R1.1703 CNC(=O)C1=C(C=C(C=C1)N)Cl Z239124738 [1,1,0,0,0,0|1,0,0]=3 694 B12R1.1703 CNC(=O)C1=C(C=C(C=C1)N)N Z756172188 [1,1,0,0,0,0|1,0,0]=3 695 B12R1.1703 COC(=O)C1=C(C=C(C=C1)Br)Cl Z448248598 [1,1,0,0,0,0|1,0,0]=3 696 B12R1.1703 COC(=O)C1=C(C=C(C=C1)Br)F Z113842026 [1,1,0,0,0,0|1,0,0]=3 697 B12R1.1703 COC(=O)C1=C(C=C(C=C1)Br)I Z1088081422 [1,1,0,0,0,0|1,0,0]=3 698 B12R1.1703 COC(=O)C1=C(C=C(C=C1)Br)N Z607863798 [1,1,0,0,0,0|1,0,0]=3 699 B12R1.1703 COC(=O)C1=C(C=C(C=C1)Br)O Z862267138 [1,1,0,0,0,0|1,0,0]=3 700 B12R1.1703 COC(=O)C1=C(C=C(C=C1)C)C Z18557172 [1,1,0,0,0,0|1,0,0]=3 701 B12R1.1703 COC(=O)C1=C(C=C(C=C1)C)F Z1198166777 [1,1,0,0,0,0|1,0,0]=3 702 B12R1.1703 COC(=O)C1=C(C=C(C=C1)C)O Z16128570 [1,1,0,0,0,0|1,0,0]=3 703 B12R1.1703 COC(=O)C1=C(C=C(C=C1)Cl)I Z418640052 [1,1,0,0,0,0|1,0,0]=3 704 B12R1.1703 COC(=O)C1=C(C=C(C=C1)Cl)N Z53833897 [1,1,0,0,0,0|1,0,0]=3 705 B12R1.1703 COC(=O)C1=C(C=C(C=C1)Cl)O Z25116596 [1,1,0,0,0,0|1,0,0]=3 706 B12R1.1703 COC(=O)C1=C(C=C(C=C1)I)F Z1269165900 [1,1,0,0,0,0|1,0,0]=3 707 B12R1.1703 COC(=O)C1=C(C=C(C=C1)N)Br Z1269157980 [1,1,0,0,0,0|0,0,0]=2 708 B12R1.1703 COC(=O)C1=C(C=C(C=C1)N)C Z877640768 [1,1,0,0,0,0|0,0,0]=2 709 B12R1.1703 COC(=O)C1=C(C=C(C=C1)N)Cl Z802847294 [1,1,0,0,0,0|0,0,0]=2 710 B12R1.1703 COC(=O)C1=C(C=C(C=C1)N)F Z851819790 [1,1,0,0,0,0|0,0,0]=2 711 B12R1.1703 COC(=O)C1=C(C=C(C=C1)N)O Z276846542 [1,1,0,0,0,0|0,0,0]=2 712 B12R1.1703 COC(=O)C1=C(C=C(C=C1)O)Cl Z1198164600 [1,1,0,0,0,0|1,0,0]=3 713 B12R1.1703 COC(=O)C1=C(C=C(C=C1)O)F Z1198184471 [1,1,0,0,0,0|1,0,0]=3 714 B12R1.1703 COC(=O)C1=C(C=C(C=C1)O)N Z1255399732 [1,1,0,0,0,0|1,0,0]=3 715 B12R1.1703 COC(=O)C1=C(C=C(C=C1)O)O Z25218921 [1,1,0,0,0,0|1,0,0]=3 716 B12R1.1703 COC(=O)C1=C(C=C(C=N1)Br)N Z1269153389 [1,1,0,0,0,0|2,0,0]=4 717 B12R1.1703 COC(=O)C1=C(C=C(C=N1)F)N Z5099863059 [1,1,0,0,0,0|2,0,0]=4 718 B12R1.1703 COC(=O)C1=C(C=C(C=N1)I)C Z1551943795 [1,1,0,0,0,0|2,0,0]=4 719 B12R1.1703 COC(=O)C1=C(C=C(C=N1)N)Cl Z2065788254 [1,1,0,0,0,0|1,0,0]=3 720 B12R1.1703 COC(=O)C1=C(C=C(N=C1)Br)C Z1486001053 [1,1,0,0,0,0|2,0,0]=4 721 B12R1.1703 COC(=O)C1=C(C=C(N=C1)Cl)Cl Z1269150448 [1,1,0,0,0,0|2,0,0]=4 722 B12R1.1703 COC(=O)C1=C(C=C(N=C1)F)C Z2310987363 [1,1,0,0,0,0|2,0,0]=4 723 B12R1.1703 COC(=O)C1=C(C=C(N=C1)F)F Z1862016068 [1,1,0,0,0,0|2,0,0]=4 724 B12R1.1703 COC(=O)C1=C(C=C(N=C1)N)C Z1216823926 [1,1,0,0,0,0|1,0,0]=3 725 B12R1.1703 COC(=O)C1=C(N=C(C=C1)Br)C Z1269210012 [1,1,0,0,0,0|2,0,0]=4 726 B12R1.1703 COC(=O)C1=C(N=C(C=C1)C)Cl Z794649992 [1,1,0,0,0,0|2,0,0]=4 727 B12R1.1703 COC(=O)C1=C(N=C(C=C1)Cl)C Z1255362268 [1,1,0,0,0,0|2,0,0]=4 728 B12R1.1703 COC(=O)C1=C(N=C(C=C1)Cl)Cl Z962652390 [1,1,0,0,0,0|2,0,0]=4 729 B12R1.1703 COC(=O)C1=C(N=C(C=C1)F)Br Z1269113980 [1,1,0,0,0,0|2,0,0]=4 730 B12R1.1703 COC(=O)C1=C(N=C(N=C1)N)C Z1198236094 [1,1,0,0,0,0|2,0,0]=4 731 B12R1.1703 COC(=O)C1=C(NC(=O)C=C1)C Z1483991912 [1,1,0,0,0,0|2,0,0]=4 732 B12R1.1703 COC(=O)C1=CC=C(NC1=O)C Z912241490 [1,1,0,0,0,0|2,0,0]=4 733 B12R1.1703 COC(=O)C1=CNC(=O)C=C1C Z1216862083 [1,1,0,0,0,0|2,0,0]=4 734 B12R1.1703 NCC(=O)C1=C(C=C(C=C1)Cl)F Z2687203864 [1,1,0,0,0,0|2,0,0]=4 735 B12R1.1703 NCC(=O)C1=C(C=C(C=C1)F)Cl Z2694742562 [1,1,0,0,0,0|2,0,0]=4 736 B12R1.1703 O=C(CCl)C1=C(C=C(C=C1)Cl)Cl Z57127890 [1,1,0,0,0,0|2,0,0]=4 737 B12R1.1703 O=C(CCl)C1=C(C=C(C=C1)F)F Z147642150 [1,1,0,0,0,0|2,0,0]=4 738 B12R1.1703 O=C(CCl)C1=C(C=C(C=C1)O)O Z56886635 [1,1,0,0,0,0|2,0,0]=4 739 B12R1.1703 O=C(CO)C1=C(C=C(C=C1)F)F Z906206870 [1,1,0,0,0,0|2,0,0]=4 740 B12R1.29 CCONC(=O)C1=CC=C(O1)Br Z245505826 [0,1,0,0,1,0|2,0,0]=4 741 B12R1.29 CCONC(=O)C1=COC(=C1)Br Z332780130 [0,1,0,0,1,0|2,0,0]=4 742 B12R1.29 CCONC(=O)C1=CSC(=C1)I Z1151663659 [0,1,0,0,1,0|2,0,0]=4 743 B12R1.103 CC(C)OC(=O)C1=CC(=NN1)N Z1233260668 [0,1,0,0,1,0|2,0,0]=4 744 B12R1.103 CC(C)OC(=O)C1=CSC(=N1)N Z1262685252 [0,1,0,0,1,0|2,0,0]=4 745 B12R1.312 CCOC(=O)C1=CC(=CN1)C=O Z1198164626 [0,1,0,0,1,0|2,0,0]=4 746 B12R1.312 CCOC(=O)C1=CC(=NN1)CN Z3399467181 [0,1,0,0,1,0|2,0,0]=4 747 B12R1.312 CCOC(=O)C1=CC=C(N1)C=O Z1198151475 [0,1,0,0,1,0|2,0,0]=4 748 B12R1.312 CCOC(=O)C1=CC=C(O1)C=O Z1255498143 [0,1,0,0,1,0|2,0,0]=4 749 B12R1.312 CCOC(=O)C1=CC=C(O1)CN Z1359429541 [0,1,0,0,1,0|1,0,0]=3 750 B12R1.312 CCOC(=O)C1=CN=C(O1)NC Z2732506203 [0,1,0,0,1,0|2,0,0]=4 751 B12R1.312 CCOC(=O)C1=COC(=C1)C=O Z1255448117 [0,1,0,0,1,0|2,0,0]=4 752 B12R1.312 CCOC(=O)C1=COC(=N1)NC Z2306210291 [0,1,0,0,1,0|2,0,0]=4 753 B12R1.312 CCOC(=O)C1=CSC(=N1)CN Z1182328472 [0,1,0,0,1,0|2,0,0]=4 754 B12R1.312 CCOC(=O)C1=CSC(=N1)NC Z48860953 [0,1,0,0,1,0|2,0,0]=4 755 B12R1.312 CCOC(=O)C1=NOC(=C1)CN Z2740003092 [0,1,0,0,1,0|2,0,0]=4 756 B12R1.313 CCOC(=O)C1=C(C=C(N1)C)C Z57201481 [0,1,0,0,1,0|2,0,0]=4 757 B12R1.313 CCOC(=O)C1=C(C=C(N1)C)N Z1255458627 [0,1,0,0,1,0|2,0,0]=4 758 B12R1.313 CCOC(=O)C1=C(C=C(S1)N)C Z56799353 [0,1,0,0,1,0|1,0,0]=3 759 B12R1.313 CCOC(=O)C1=C(N=C(S1)N)C Z48847590 [0,1,0,0,1,0|2,0,0]=4 760 B12R1.313 CCOC(=O)C1=C(NC(=C1)C)C Z89269601 [0,1,0,0,1,0|2,0,0]=4 761 B12R1.313 CCOC(=O)C1=C(OC(=N1)N)C Z1198310373 [0,1,0,0,1,0|2,0,0]=4 762 B12R1.313 CCOC(=O)C1=C(SC(=C1)C)N Z274567874 [0,1,0,0,1,0|2,0,0]=4 763 B12R1.313 CCOC(=O)C1=CC(=CN1C)N Z1272670410 [0,1,0,0,1,0|1,0,0]=3 764 B12R1.313 CCOC(=O)C1=CN(C=C1N)C Z2896881017 [0,1,0,0,1,0|2,0,0]=4 765 B12R1.313 CCOC(=O)C1=NC(=CN1C)N Z2574923459 [0,1,0,0,1,0|2,0,0]=4 766 B12R1.314 CCNC(=O)C1=CC(=C(S1)C)N Z756172290 [0,1,0,0,1,0|2,0,0]=4 767 B12R1.314 CCOC(=O)C1=CC(=C(N1)C)C Z1198164103 [0,1,0,0,1,0|2,0,0]=4 768 B12R1.1579 CCOC(=O)C1=C(C(=CN1)Br)N Z1504677745 [0,1,0,0,1,0|2,0,0]=4 769 B12R1.1579 CCOC(=O)C1=CC=C(N1C)C Z166414024 [0,1,0,0,1,0|2,0,0]=4 770 B12R1.1579 CCOC(=O)C1=CN=C(N1C)N Z1198269666 [0,1,0,0,1,0|2,0,0]=4 771 B12R1.1579 CCOC(=O)C1=NNC(=C1Br)N Z1618007339 [0,1,0,0,1,0|2,0,0]=4 772 B14R1.33 C=CCNC(=O)NC1=CC=C(C=C1)N Z270673580 [0,1,0,0,0,1|1,0,1]=4 773 B14R1.33 CCCCC(=O)OC1=CC=C(C=C1)Br Z28205141 [0,1,0,0,0,1|2,0,0]=4 774 B14R1.33 CCCNC(=O)NC1=CC=C(C=C1)F Z44586769 [0,1,0,0,0,1|2,0,0]=4 775 B14R1.33 CCNCC(=O)NC1=CC=C(C=C1)Br Z46193506 [0,1,0,0,0,1|2,0,0]=4 776 B14R1.33 CCONC(=O)CC1=CC=C(C=C1)Br Z193284454 [0,1,0,0,0,1|1,0,0]=3 777 B14R1.33 CCONC(=O)CC1=CC=C(C=C1)Cl Z245505846 [0,1,0,0,0,1|1,0,0]=3 778 B14R1.33 CNCCC(=O)NC1=CC=C(C=C1)F Z852428062 [0,1,0,0,0,1|2,0,0]=4 779 B14R1.33 COCNC(=O)NC1=CC=C(C=C1)Cl Z56757265 [0,1,0,0,0,1|2,0,0]=4 780 B14R1.33 NC1=CC=C(C=C1)CC(=O)NCCO Z1160900184 [0,1,0,0,0,1|1,0,0]=3 781 B14R1.33 NCCCC(=O)NC1=CC=C(C=C1)Cl Z600397728 [0,1,0,0,0,1|2,0,0]=4 782 B14R1.33 O=C(CC1=CC=C(C=C1)O)NCCO Z135440350 [0,1,0,0,0,1|2,0,0]=4 783 B14R1.33 O=C(NCCO)NC1=CC=C(C=C1)Cl Z123743880 [0,1,0,0,0,1|2,0,0]=4 784 B14R1.35 CCOC(=O)C(=O)C1=CC=C(C=C1)C Z99599884 [0,1,0,0,0,1|1,0,0]=3 785 B14R1.35 CCOC(=O)C(=O)C1=CC=C(C=C1)Cl Z838170334 [0,1,0,0,0,1|1,0,0]=3 786 B14R1.35 CCOC(=O)C(=O)C1=CC=C(C=C1)F Z838170298 [0,1,0,0,0,1|1,0,0]=3 787 B14R1.35 CCOC(=O)C(=O)C1=CN=C(C=C1)Cl Z1269153053 [0,1,0,0,0,1|2,0,0]=4 788 B14R1.35 CCOC(=O)C(N)C1=CC=C(C=C1)Cl Z221603864 [0,1,0,0,0,1|1,0,0]=3 789 B14R1.35 CCOC(=O)C(O)C1=CC=C(C=C1)C Z965048106 [0,1,0,0,0,1|1,0,0]=3 790 B14R1.35 CCOC(=O)N(C)C1=CC=C(C=C1)N Z810541812 [0,1,0,0,0,1|0,0,0]=2 791 B14R1.134 CCC(C)C(=O)NC1=CC=C(C=C1)F Z237758822 [0,1,0,0,0,1|2,0,0]=4 792 B14R1.134 CCN(C)C(=O)NC1=CC=C(C=C1)C Z642326330 [0,1,0,0,0,1|2,0,0]=4 793 B14R1.698 CC(C)CC(=O)NC1=CC=C(C=C1)N Z57442166 [0,1,0,0,0,1|1,0,0]=3 794 B14R1.698 CC(C)NC(=O)CC1=CC=C(C=C1)N Z239124444 [0,1,0,0,0,1|1,0,0]=3 795 B14R1.698 CC(C)NC(=O)NC1=CC=C(C=C1)Cl Z44580876 [0,1,0,0,0,1|2,0,0]=4 796 B14R1.698 CC(C)NC(=O)NC1=CC=C(C=C1)F Z44580890 [0,1,0,0,0,1|2,0,0]=4 797 B14R1.698 CC(C)NC(=O)NC1=CC=C(C=C1)N Z283246018 [0,1,0,0,0,1|1,0,0]=3 798 B14R1.698 CC(C)OC(=O)NC1=CC=C(C=C1)F Z55310390 [0,1,0,0,0,1|1,0,0]=3 799 B14R1.698 CC1=CC=C(C=C1)CC(=O)NC(C)C Z57285765 [0,1,0,0,0,1|2,0,0]=4 800 B14R1.698 CC1=CC=C(C=C1)NC(=O)NC(C)C Z44580902 [0,1,0,0,0,1|2,0,0]=4 801 B14R1.954 CCCC(=O)NC1=CC=C(C=C1)CN Z285189314 [0,1,0,0,0,1|1,0,0]=3 802 B14R1.954 CCOC(=O)CC1=CC=C(C=C1)CN Z3234813519 [0,1,0,0,0,1|0,0,0]=2 803 B14R1.967 CCCC(=O)NC1=CC(=C(C=C1)Cl)N Z57242870 [0,1,0,0,0,1|2,0,0]=4 804 B14R1.967 CCNC(=O)NC1=CC(=C(C=C1)C)N Z385457280 [0,1,0,0,0,1|2,0,0]=4 805 B14R1.967 CCOC(=O)CC1=CC(=C(C=C1)Br)F Z1269194860 [0,1,0,0,0,1|1,0,0]=3 806 B14R1.967 CCOC(=O)CC1=CC(=C(C=C1)N)Cl Z1269164666 [0,1,0,0,0,1|0,0,0]=2 807 B14R1.967 CCOC(=O)CC1=CNC(=O)C(=C1)Cl Z2234631209 [0,1,0,0,0,1|2,0,0]=4 808 B14R1.6817 CCCS(=O)(=O)NC1=CC=C(C=C1)N Z239122836 [0,1,0,0,0,1|2,0,0]=4 809 B14R1.6823 CCCC(=O)NC1=C(C=C(C=C1)C)C Z27801622 [0,1,0,0,0,1|2,0,0]=4 810 B14R1.6823 CCCC(=O)NC1=C(C=C(C=C1)C)Cl Z30261837 [0,1,0,0,0,1|2,0,0]=4 811 B14R1.6823 CCCC(=O)NC1=C(C=C(C=C1)C)O Z33452085 [0,1,0,0,0,1|2,0,0]=4 812 B14R1.6823 CCCC(=O)NC1=C(C=C(C=C1)F)C Z29828003 [0,1,0,0,0,1|2,0,0]=4 813 B14R1.6823 CCNC(=O)NC1=C(C=C(C=C1)F)Br Z385457552 [0,1,0,0,0,1|2,0,0]=4 814 B14R1.6823 CCNC(=O)NC1=C(C=C(C=C1)F)F Z44602727 [0,1,0,0,0,1|2,0,0]=4 815 B14R1.6823 CCOC(=O)CC1=C(C=C(C=C1)F)F Z1020789024 [0,1,0,0,0,1|1,0,0]=3 816 B14R1.6823 CCOC(=O)NC1=C(C=C(C=C1)Br)Br Z56754697 [0,1,0,0,0,1|1,0,0]=3 817 B14R1.10 C#CC(C)OC(=O)C1=NC=C(C=C1)Cl Z1291437808 [0,2,0,0,0,0|2,0,0]=4 818 B14R1.10 C=CC(C)NC(=O)C1=CC=C(C=C1)C Z1401640457 [0,2,0,0,0,0|2,0,0]=4 819 B14R1.10 CC(C#N)CC(=O)C1=CC=C(C=C1)F Z838953686 [0,2,0,0,0,0|2,0,0]=4 820 B14R1.10 CC(CO)NC(=O)C1=CC=C(C=C1)N Z425723638 [0,2,0,0,0,0|1,0,0]=3 821 B14R1.10 CCC(=O)CC(=O)C1=CC=C(C=C1)Br Z359504784 [0,2,0,0,0,0|2,0,0]=4 822 B14R1.10 CCC(C)NC(=O)C1=CC=C(C=C1)N Z239124564 [0,2,0,0,0,0|1,0,0]=3 823 B14R1.10 C[C@@H](C#N)NC(=O)C1=CC=C(C=C1)I Z1870626391 [0,2,0,0,0,0|2,0,0]=4 824 B14R1.19 CC1=CC=C(C=C1)C(=O)CCCC#N Z1255403116 [0,2,0,0,0,0|2,0,0]=4 825 B14R1.19 CCCCNC(=O)C1=CC=C(C=C1)Cl Z31763358 [0,2,0,0,0,0|2,0,0]=4 826 B14R1.19 CCCCOC(=O)C1=CC=C(C=C1)Cl Z291806332 [0,2,0,0,0,0|1,0,0]=3 827 B14R1.19 CCCCOC(=O)C1=CC=C(C=C1)N Z57126994 [0,2,0,0,0,0|0,0,0]=2 828 B14R1.19 CCCCOC(=O)C1=CC=C(C=C1)O Z291799028 [0,2,0,0,0,0|1,0,0]=3 829 B14R1.19 COCCCC(=O)C1=CC=C(C=C1)Br Z447807228 [0,2,0,0,0,0|2,0,0]=4 830 B14R1.19 COCCNC(=O)C1=CC=C(C=C1)Cl Z31438062 [0,2,0,0,0,0|2,0,0]=4 831 B14R1.19 COCCNC(=O)C1=CC=C(C=C1)I Z27706961 [0,2,0,0,0,0|2,0,0]=4 832 B14R1.19 COCCNC(=O)C1=CC=C(C=C1)O Z184584378 [0,2,0,0,0,0|2,0,0]=4 833 B14R1.19 NC1=CC=C(C=C1)C(=O)NCCCO Z390184874 [0,2,0,0,0,0|1,0,0]=3 834 B14R1.19 NCCCNC(=O)C1=CC=C(C=C1)Br Z295405122 [0,2,0,0,0,0|2,0,0]=4 835 B14R1.19 NCCCNC(=O)C1=CC=C(C=C1)Cl Z295405126 [0,2,0,0,0,0|2,0,0]=4 836 B14R1.19 NCCCNC(=O)C1=CC=C(C=C1)F Z1165351299 [0,2,0,0,0,0|2,0,0]=4 837 B14R1.19 NCCCNC(=O)C1=CC=C(C=C1)O Z234898163 [0,2,0,0,0,0|2,0,0]=4 838 B14R1.19 O=C(NCCCO)C1=CC=C(C=C1)Cl Z68223302 [0,2,0,0,0,0|2,0,0]=4 839 B14R1.125 CCCNS(=O)(=O)C1=CC=C(C=C1)N Z57708626 [0,2,0,0,0,0|2,0,0]=4 840 B14R1.125 CCCOS(=O)(=O)C1=CC=C(C=C1)C Z1269122153 [0,2,0,0,0,0|2,0,0]=4 841 B14R1.125 COCCS(=O)(=O)C1=CC=C(C=C1)N Z1762997352 [0,2,0,0,0,0|2,0,0]=4 842 B14R1.678 CC(C)CCC(=O)C1=CC=C(C=C1)Cl Z385417182 [0,2,0,0,0,0|2,0,0]=4 843 B14R1.678 CC(C)CNC(=O)C1=CC=C(C=C1)N Z239124632 [0,2,0,0,0,0|1,0,0]=3 844 B14R1.678 CC(O)CNC(=O)C1=CC=C(C=C1)Br Z68385279 [0,2,0,0,0,0|2,0,0]=4 845 B14R1.678 CC(O)CNC(=O)C1=CC=C(C=C1)Cl Z68385286 [0,2,0,0,0,0|2,0,0]=4 846 B14R1.678 CN(C)CCC(=O)C1=CC=C(C=C1)F Z57073897 [0,2,0,0,0,0|2,0,0]=4 847 B14R1.678 NC(=O)CNC(=O)C1=CC=C(C=C1)N Z239124972 [0,2,0,0,0,0|1,0,1]=4 848 B14R1.678 NC(=O)COC(=O)C1=CC=C(C=C1)Br Z19682631 [0,2,0,0,0,0|1,0,1]=4 849 B14R1.678 NC(=O)COC(=O)C1=CC=C(C=C1)Cl Z19702035 [0,2,0,0,0,0|1,0,1]=4 850 B14R1.678 NC(=O)COC(=O)C1=CC=C(C=C1)I Z19776695 [0,2,0,0,0,0|1,0,1]=4 851 B14R1.678 NC(=O)COC(=O)C1=CC=C(C=C1)O Z19674826 [0,2,0,0,0,0|1,0,1]=4 852 B14R1.678 NC1=CC=C(C=C1)C(=O)CCC(=O)O Z1255439771 [0,2,0,0,0,0|1,0,1]=4 853 B14R1.678 NC1=CC=C(C=C1)C(=O)NCC(=O)O Z104484866 [0,2,0,0,0,0|1,0,1]=4 854 B14R1.926 C#CCNC(=O)C1=CC=C(C=C1)CN Z1686781780 [0,2,0,0,0,0|1,0,1]=4 855 B14R1.926 CCCNC(=O)C1=CC=C(C=C1)C#N Z33030599 [0,2,0,0,0,0|1,0,1]=4 856 B14R1.926 CCONC(=O)C1=CN=C(C=C1)OC Z254324700 [0,2,0,0,0,0|2,0,0]=4 857 B14R1.926 COC1=CC=C(C=C1)C(=O)NCCN Z594272034 [0,2,0,0,0,0|2,0,0]=4 858 B14R1.926 COC1=CC=C(C=C1)C(=O)NCCO Z31725236 [0,2,0,0,0,0|2,0,0]=4 859 B14R1.926 O=CC1=CC=C(C=C1)C(=O)OCCO Z291847696 [0,2,0,0,0,0|1,0,0]=3 860 B14R1.941 CC1=C(C=C(C=C1)C(=O)NCCN)F Z259720794 [0,2,0,0,0,0|2,0,0]=4 861 B14R1.941 CC1=C(C=C(C=C1)C(=O)NCCO)Cl Z57261333 [0,2,0,0,0,0|2,0,0]=4 862 B14R1.941 CCCNC(=O)C1=CC(=C(C=C1)C)F Z135571270 [0,2,0,0,0,0|2,0,0]=4 863 B14R1.941 CCCNC(=O)C1=CC(=C(C=C1)O)Cl Z68365931 [0,2,0,0,0,0|2,0,0]=4 864 B14R1.941 CCCOC(=O)C1=CC(=C(C=C1)Cl)N Z53836843 [0,2,0,0,0,0|1,0,0]=3 865 B14R1.941 CCONC(=O)C1=CC(=C(C=C1)C)I Z1090920066 [0,2,0,0,0,0|1,0,0]=3 866 B14R1.941 CCONC(=O)C1=CC(=C(C=C1)I)C Z1119015806 [0,2,0,0,0,0|1,0,0]=3 867 B14R1.941 NCCNC(=O)C1=CC(=C(C=C1)Cl)Cl Z1455670971 [0,2,0,0,0,0|2,0,0]=4 868 B14R1.941 NCCNC(=O)C1=CC(=C(C=C1)F)F Z285198060 [0,2,0,0,0,0|2,0,0]=4 869 B14R1.2523 C=CCNC(=O)C1=C(C=C(C=C1)N)O Z135517292 [0,2,0,0,0,0|1,0,1]=4 870 B14R1.2523 CCCNC(=O)C1=C(C=C(C=C1)Cl)N Z239124192 [0,2,0,0,0,0|2,0,0]=4 871 B14R1.2523 CCCNC(=O)C1=C(C=C(C=C1)N)Cl Z239124194 [0,2,0,0,0,0|1,0,0]=3 872 B14R1.2523 CCONC(=O)C1=C(C=C(C=C1)Br)F Z193289032 [0,2,0,0,0,0|1,0,0]=3 873 B14R1.2523 CCONC(=O)C1=C(C=C(C=C1)Br)O Z910449340 [0,2,0,0,0,0|1,0,0]=3 874 B14R1.2523 CCONC(=O)C1=C(C=C(C=C1)Cl)Cl Z245505802 [0,2,0,0,0,0|1,0,0]=3 875 B14R1.2523 CCONC(=O)C1=C(C=C(C=C1)Cl)F Z193288994 [0,2,0,0,0,0|1,0,0]=3 876 B14R1.2523 CCONC(=O)C1=C(C=C(C=C1)F)Br Z193288508 [0,2,0,0,0,0|1,0,0]=3 877 B14R1.2523 CCONC(=O)C1=C(C=C(C=C1)F)Cl Z247485926 [0,2,0,0,0,0|1,0,0]=3 878 B14R1.2523 NC1=CC(=C(C=C1)C(=O)NCCO)Cl Z390184964 [0,2,0,0,0,0|1,0,0]=3 879 B14R1.2523 NCCNC(=O)C1=C(C=C(C=C1)F)F Z992717078 [0,2,0,0,0,0|2,0,0]=4 880 B14R1.7 CCN(C)C(=O)C1=CC=C(C=C1)C=O Z1068274428 [0,2,0,0,0,0|2,0,0]=4 881 B14R1.7 CCN(C)C(=O)C1=CC=C(C=C1)SC Z344844812 [0,2,0,0,0,0|2,0,0]=4 882 B14R1.88 CCC(NC)C(=O)C1=CC=C(C=C1)Br Z4889932911 [0,2,0,0,0,0|2,0,0]=4 883 B14R1.88 CCC(NC)C(=O)C1=CC=C(C=C1)F Z4889932910 [0,2,0,0,0,0|2,0,0]=4 884 B14R1.88 CCN(CC)C(=O)C1=CC=C(C=C1)C Z31723349 [0,2,0,0,0,0|2,0,0]=4 885 B14R1.88 CCN(CC)C(=O)C1=CC=C(C=C1)F Z31723195 [0,2,0,0,0,0|2,0,0]=4 886 B14R1.88 CCN(CC)C(=O)C1=CC=C(C=C1)N Z55993012 [0,2,0,0,0,0|1,0,0]=3 887 B14R1.88 CCN(CC)C(=O)C1=CC=C(C=C1)O Z68161094 [0,2,0,0,0,0|2,0,0]=4 888 B14R1.1003 CCN(C)C(=O)C1=CC(=C(C=C1)C)I Z1090320524 [0,2,0,0,0,0|2,0,0]=4 889 B14R1.1003 CCN(C)C(=O)C1=CC(=C(C=C1)I)C Z1118666276 [0,2,0,0,0,0|2,0,0]=4 890 B14R1.1003 CCN(C)C(=O)C1=CC(=C(C=C1)I)F Z1123999929 [0,2,0,0,0,0|2,0,0]=4 891 B14R1.694 CC(C)NS(=O)(=O)C1=CC=C(C=C1)N Z56995183 [0,2,0,0,0,0|2,0,0]=4 892 B14R1.3175 CCNS(=O)(=O)C1=CC=C(C=C1)CN Z1431002702 [0,2,0,0,0,0|2,0,0]=4 893 B14R1.3190 CCNS(=O)(=O)C1=CC(=C(C=C1)N)N Z1557403041 [0,2,0,0,0,0|2,0,0]=4 894 B14R1.2 CC(C)NC(=O)C1=CC=C(C=C1)C#N Z31386047 [0,2,0,0,0,0|1,0,1]=4 895 B14R1.2 CSC1=CC=C(C=C1)C(=O)NC(C)C Z51810878 [0,2,0,0,0,0|2,0,0]=4 896 B14R1.683 CC(C)(C)CC(=O)C1=CC=C(C=C1)Br Z385417460 [0,2,0,0,0,0|2,0,0]=4 897 B14R1.683 CC(C)(C)CC(=O)C1=CC=C(C=C1)Cl Z385417192 [0,2,0,0,0,0|2,0,0]=4 898 B14R1.683 CC(C)(C)CC(=O)C1=CC=C(C=C1)F Z385412724 [0,2,0,0,0,0|2,0,0]=4 899 B14R1.683 CC(C)(C)NC(=O)C1=CC=C(C=C1)N Z235362715 [0,2,0,0,0,0|1,0,0]=3 900 B14R1.683 CC(C)(C)OC(=O)C1=CC=C(C=C1)F Z1160860795 [0,2,0,0,0,0|1,0,0]=3 901 B14R1.683 CC(C)(C)OC(=O)C1=CN=C(C=C1)Cl Z1160860788 [0,2,0,0,0,0|2,0,0]=4 902 B14R1.683 CC(C)(C)OC(=O)C1=CN=C(C=C1)F Z1813247549 [0,2,0,0,0,0|2,0,0]=4 903 B14R1.683 CC(C)(C)OC(=O)C1=CN=C(C=C1)N Z1117858126 [0,2,0,0,0,0|1,0,0]=3 904 B14R1.683 CC(C)(C)OC(=O)C1=CNC(=O)C=C1 Z1171190109 [0,2,0,0,0,0|2,0,0]=4 905 B14R1.683 CC(C)(C)OC(=O)C1=NC=C(C=C1)Br Z1171190143 [0,2,0,0,0,0|2,0,0]=4 906 B14R1.683 CC(C)(C)OC(=O)C1=NC=C(C=C1)F Z1222424984 [0,2,0,0,0,0|2,0,0]=4 907 B14R1.683 CS(=O)(=O)NC(=O)C1=CC=C(C=C1)N Z1835765827 [0,2,0,0,0,0|2,0,0]=4 908 B14R1.685 CC(C)NC(=O)C1=CC(=C(C=C1)Cl)N Z239124420 [0,2,0,0,0,0|2,0,0]=4 909 B14R1.685 CC(C)NC(=O)C1=CC(=C(C=C1)I)Br Z382841838 [0,2,0,0,0,0|2,0,0]=4 910 B14R1.685 CC(C)NC(=O)C1=CC(=C(C=C1)O)Cl Z68108650 [0,2,0,0,0,0|2,0,0]=4 911 B14R1.685 CC(C)NC(=O)C1=CC(=C(C=C1)O)O Z1625091152 [0,2,0,0,0,0|2,0,0]=4 912 B14R1.685 CC(C)OC(=O)C1=CC(=C(C=C1)Cl)N Z53836842 [0,2,0,0,0,0|1,0,0]=3 913 B14R1.685 CC(C)OC(=O)C1=CC(=C(C=C1)O)O Z292797840 [0,2,0,0,0,0|1,0,0]=3 914 B14R1.685 CC1=C(C=C(C=C1)C(=O)NC(C)C)F Z116305524 [0,2,0,0,0,0|2,0,0]=4 915 B14R1.685 CC1=C(C=CC(=C1)C(=O)NC(C)C)N Z752371138 [0,2,0,0,0,0|1,0,0]=3 916 B14R1.6048 CC(C)NC(=O)C1=C(C=C(C=C1)Br)F Z108625116 [0,2,0,0,0,0|2,0,0]=4 917 B14R1.6048 CC(C)NC(=O)C1=C(C=C(C=C1)Cl)N Z239124430 [0,2,0,0,0,0|2,0,0]=4 918 B14R1.6048 CC(C)NC(=O)C1=C(C=C(C=C1)F)I Z406437552 [0,2,0,0,0,0|2,0,0]=4 919 B14R1.6048 CC(C)OC(=O)C1=C(C=C(C=N1)F)F Z1864493364 [0,2,0,0,0,0|2,0,0]=4 920 B14R1.6048 CC1=C(C=CC(=C1)N)C(=O)NC(C)C Z877632602 [0,2,0,0,0,0|1,0,0]=3 921 B14R1.6048 CC1=CC(=C(C=C1)C(=O)NC(C)C)C Z31386189 [0,2,0,0,0,0|2,0,0]=4 922 B14R1.25 CCOC(=O)C1=CC=C(C=C1)N=C=S Z57040496 [0,2,0,0,0,0|0,0,1]=3 923 B14R1.25 CCOC(=O)C1=CC=C(C=C1)OCC Z53835769 [0,2,0,0,0,0|1,0,0]=3 924 B14R1.610 CCOC(=O)C1=CC=C(C=C1)C(=O)C Z104474458 [0,2,0,0,0,0|1,0,0]=3 925 B14R1.610 CCOC(=O)C1=CC=C(C=C1)C(=O)O Z1198153982 [0,2,0,0,0,0|1,0,0]=3 926 B14R1.610 CCOC(=O)C1=CC=C(C=C1)[N+](=O)[O-] Z53834185 [0,2,0,0,0,0|0,0,1]=3 927 B14R1.610 CCOC(=O)C1=CN=C(C=C1)C(=O)O Z1262512412 [0,2,0,0,0,0|2,0,0]=4 928 B14R1.628 CCOC(=O)C1=CC(=C(C=C1)NC)N Z802832552 [0,2,0,0,0,0|0,0,0]=2 929 B14R1.628 CCOC(=O)C1=NC(=C(C=C1)C#N)Cl Z2311180848 [0,2,0,0,0,0|1,0,1]=4 930 B14R1.628 CCOC(=O)C1=NC(=C(C=C1)C#N)S Z235344663 [0,2,0,0,0,0|1,0,1]=4 931 B14R1.7234 CCOC(=O)C1=C(C=C(C=C1)C=O)Cl Z1617995615 [0,2,0,0,0,0|1,0,0]=3 932 B14R1.626 CCOC(=O)C1=CC(=C(N=C1)C)C#N Z1198177066 [0,2,0,0,0,0|2,0,0]=4 933 B14R1.6821 CCOC(=O)C1=CC(=C(C(=C1)Cl)O)Cl Z54462278 [0,2,0,0,0,0|1,0,0]=3 934 B14R1.6821 CCOC(=O)C1=CC(=C(C(=C1)F)F)F Z1097093402 [0,2,0,0,0,0|1,0,0]=3 935 B14R1.7264 CCOC(=O)C1=C(C=C(C(=C1)Br)C)N Z1618009652 [0,2,0,0,0,0|1,0,0]=3 936 B14R1.7264 CCOC(=O)C1=C(C=C(C(=C1)Br)F)I Z2235790712 [0,2,0,0,0,0|1,0,0]=3 937 B14R1.7264 CCOC(=O)C1=C(C=C(C(=C1)Cl)Br)F Z1450943639 [0,2,0,0,0,0|1,0,0]=3 938 B14R1.7264 CCOC(=O)C1=C(C=C(C(=C1)F)F)N Z594218558 [0,2,0,0,0,0|1,0,0]=3 939 B14R1.7264 CCOC(=O)C1=C(C=C(C(=C1)N)F)C Z1650048557 [0,2,0,0,0,0|1,0,0]=3 940 B14R1.7265 CCOC(=O)C1=C(C(=C(C=C1)F)Br)C Z2027062155 [0,2,0,0,0,0|1,0,0]=3 941 B14R1.7265 CCOC(=O)C1=C(C(=C(C=C1)F)C)N Z838919144 [0,2,0,0,0,0|1,0,0]=3 942 B14R1.18811 CCOC(=O)C1=C(N=C(C=C1C)C)S Z56887538 [0,2,0,0,0,0|2,0,0]=4 943 B14R1.18811 CCOC(=O)C1=C(N=C(NC1=O)N)C Z3785493823 [0,2,0,0,0,0|2,0,0]=4 944 B14R1.18811 CCOC(=O)C1=C(OC(=O)C=C1C)C Z293099934 [0,2,0,0,0,0|2,0,0]=4 945 B12R2.24 NC1=CC2=C(C=C1)CCCC2 Z278204684 [1,0,0,1,0,0|1,0,1]=4 946 B12R2.24 NC1=CC2=C(C=C1)OCCC2 Z728136682 [1,0,0,1,0,0|2,0,0]=4 947 B12R2.24 OC1=CC2=C(C=C1)COCC2 Z1255359696 [1,0,0,1,0,0|1,0,1]=4 948 B12R2.79 C[C@@H]1O[C@H]1C2=CC=C(C=C2)Cl Z3074487523 [1,0,0,1,0,0|1,0,1]=4 949 B12R2.79 C[C@@H]1O[C@H]1C2=CC=C(C=C2)F Z2527567177 [1,0,0,1,0,0|1,0,1]=4 950 B12R2.132 CN1C=CC2=C1C=C(C=C2)N Z414315292 [1,0,0,1,0,0|2,0,0]=4 951 B12R2.132 CN1N=CC2=C1C=C(C=C2)N Z444871566 [1,0,0,1,0,0|2,0,0]=4 952 B12R2.2302 NC1=CC=C(C=C1)C2CCC2 Z1203579606 [1,0,0,1,0,0|1,0,1]=4 953 B12R2.2 C1=CC=C(C=C1)C2=NCCC2 Z235344923 [1,0,0,1,0,0|2,0,0]=4 954 B12R2.2 C1=CC=C(C=C1)C2=NCCN2 Z283858536 [1,0,0,1,0,0|2,0,0]=4 955 B12R2.1081 O=C1CCCC2=C1C=CC=C2 Z104477014 [1,0,0,1,0,0|1,0,0]=3 956 B12R2.1081 O=C1CCCC2=C1C=CC=N2 Z1201621685 [1,0,0,1,0,0|2,0,0]=4 957 B12R2.1081 O=C1CCCC2=C1N=CC=C2 Z1201622535 [1,0,0,1,0,0|2,0,0]=4 958 B12R2.1081 O=C1CCC[N+]2=C1C=CC=C2 Z1269112409 [1,0,0,1,0,0|2,0,0]=4 959 B12R2.1081 O=C1CCNC2=C1C=CC=C2 Z1492781321 [1,0,0,1,0,0|2,0,0]=4 960 B12R2.1081 O=C1CCOC2=C1C=CC=C2 Z85920466 [1,0,0,1,0,0|2,0,0]=4 961 B12R2.1081 O=C1CCSC2=C1C=CC=C2 Z56914832 [1,0,0,1,0,0|2,0,0]=4 962 B12R2.1081 O=C1COCC2=C1C=CC=C2 Z1201625145 [1,0,0,1,0,0|2,0,0]=4 963 B12R2.1081 O=C1NCCC2=C1C=CC=C2 Z56801375 [1,0,0,1,0,0|1,0,0]=3 964 B12R2.1081 O=C1NCCC2=C1C=NC=C2 Z3513877919 [1,0,0,1,0,0|2,0,0]=4 965 B12R2.1081 O=C1OC=CC2=C1C=CC=C2 Z1198175817 [1,0,0,1,0,0|0,0,2]=4 966 B12R2.1081 OB1OCCC2=C1C=CC=C2 Z1201624582 [1,0,0,1,0,0|1,0,1]=4 967 B12R2.2028 CC1CC(=O)C2=C1C=CC=C2 Z335243948 [1,0,0,1,0,0|1,0,0]=3 968 B12R2.2028 CC1OB(C2=C1C=CC=C2)O Z1939448686 [1,0,0,1,0,0|1,0,1]=4 969 B12R2.2028 CN1NC(=O)C2=C1C=CC=C2 Z1255452290 [1,0,0,1,0,0|2,0,0]=4 970 B12R2.2028 C[C@@H]1OB(C2=C1C=CC=C2)O Z5065219956 [1,0,0,1,0,0|1,0,1]=4 971 B12R2.2028 C[C@H]1OB(C2=C1C=CC=C2)O Z5777881779 [1,0,0,1,0,0|1,0,1]=4 972 B12R2.2028 O=C1OC(C2=C1C=CC=C2)O Z104507040 [1,0,0,1,0,0|1,0,0]=3 973 B12R2.290 CC1(CC1)C2=CC=C(C=C2)N Z3033960685 [1,0,0,1,0,0|1,0,1]=4 974 B12R2.612 CC1=CC2=C(C=C1)C(=O)CC2 Z318770612 [1,0,0,1,0,0|1,0,0]=3 975 B12R2.612 CC1=CC2=C(C=C1)C(=O)CO2 Z1255397223 [1,0,0,1,0,0|2,0,0]=4 976 B12R2.612 CC1=CC2=C(C=C1)C(=O)CS2 Z1255404471 [1,0,0,1,0,0|2,0,0]=4 977 B12R2.612 CC1=CC2=C(C=C1)C(=O)NC2 Z1198184833 [1,0,0,1,0,0|2,0,0]=4 978 B12R2.612 CN1CCC2=C1C=CC(=C2)N Z992717374 [1,0,0,1,0,0|2,0,0]=4 979 B12R2.612 NC1=CC2=C(C=C1)B(OC2)O Z3034936399 [1,0,0,1,0,0|1,0,1]=4 980 B12R2.612 NC1=CC2=C(C=C1)C(=O)CC2 Z57109500 [1,0,0,1,0,0|0,0,0]=2 981 B12R2.612 NC1=CC2=C(C=C1)C(=O)NC2 Z1198272534 [1,0,0,1,0,0|1,0,0]=3 982 B12R2.612 NC1=CC2=C(C=C1)C(=O)NS2 Z1262664713 [1,0,0,1,0,0|2,0,0]=4 983 B12R2.612 NC1=CC2=C(C=C1)C(CC2)N Z2526714445 [1,0,0,1,0,0|1,0,1]=4 984 B12R2.612 NC1=CC2=C(N=C1)C(=O)NC2 Z2940236344 [1,0,0,1,0,0|2,0,0]=4 985 B12R2.612 NC1=CC2=C(N=C1)C(=O)OC2 Z4874130121 [1,0,0,1,0,0|1,0,0]=3 986 B12R2.612 O=C1CCC2=C1C=CC(=C2)Br Z318770638 [1,0,0,1,0,0|1,0,0]=3 987 B12R2.612 O=C1CCC2=C1C=CC(=C2)Cl Z318770634 [1,0,0,1,0,0|1,0,0]=3 988 B12R2.612 O=C1CCC2=C1C=CC(=C2)F Z318770630 [1,0,0,1,0,0|1,0,0]=3 989 B12R2.612 O=C1CCC2=C1C=CC(=C2)O Z1255457932 [1,0,0,1,0,0|1,0,0]=3 990 B12R2.612 O=C1CCC2=C1C=CC(=N2)Br Z1269178427 [1,0,0,1,0,0|2,0,0]=4 991 B12R2.612 O=C1CCC2=C1C=CC(=N2)Cl Z1198334033 [1,0,0,1,0,0|2,0,0]=4 992 B12R2.612 O=C1CCC2=CC(=NC=C12)Cl Z2417242924 [1,0,0,1,0,0|2,0,0]=4 993 B12R2.612 O=C1COC2=C1C=CC(=C2)Br Z1269152090 [1,0,0,1,0,0|2,0,0]=4 994 B12R2.612 O=C1COC2=C1C=CC(=C2)Cl Z1198169822 [1,0,0,1,0,0|2,0,0]=4 995 B12R2.612 O=C1COC2=C1C=CC(=C2)F Z1198221984 [1,0,0,1,0,0|2,0,0]=4 996 B12R2.612 O=C1COC2=C1C=CC(=C2)O Z111875098 [1,0,0,1,0,0|2,0,0]=4 997 B12R2.612 O=C1NCC2=C1C=CC(=C2)Br Z1269136562 [1,0,0,1,0,0|2,0,0]=4 998 B12R2.612 O=C1NCC2=C1C=CC(=C2)Cl Z1198176501 [1,0,0,1,0,0|2,0,0]=4 999 B12R2.612 O=C1NCC2=C1C=CC(=C2)F Z1255503451 [1,0,0,1,0,0|2,0,0]=4 1000 B12R2.612 O=C1NCC2=C1C=CC(=C2)O Z1198272536 [1,0,0,1,0,0|2,0,0]=4 1001 B12R2.612 O=C1OCC2=C1C=CC(=C2)Cl Z1198234542 [1,0,0,1,0,0|1,0,0]=3 1002 B12R2.612 O=C1OCC2=C1C=CC(=C2)F Z1198234543 [1,0,0,1,0,0|1,0,0]=3 1003 B12R2.612 O=C1OCC2=C1C=CC(=C2)O Z1198162647 [1,0,0,1,0,0|1,0,0]=3 1004 B12R2.612 O=C1OCC2=C1C=CC(=N2)Cl Z6002904019 [1,0,0,1,0,0|2,0,0]=4 1005 B14R2.106 CCOC1=NC2=C(O1)C=CC(=C2)N Z1375686388 [0,0,0,1,0,1|1,0,0]=3 1006 B14R2.926 CC1=CC=C(C=C1)C2CCCC2=O Z993018192 [0,0,0,1,0,1|2,0,0]=4 1007 B14R2.926 NC1=CC=C(C=C1)N2CCCC2=O Z94601206 [0,0,0,1,0,1|1,0,0]=3 1008 B14R2.926 NC1=CC=C(C=C1)N2CCNC2=O Z218602504 [0,0,0,1,0,1|1,0,0]=3 1009 B14R2.926 NC1=CC=C(C=C1)N2CCOC2=O Z336028106 [0,0,0,1,0,1|0,0,0]=2 1010 B14R2.926 NC1=CN=C(C=C1)N2CCCC2=O Z448249000 [0,0,0,1,0,1|2,0,0]=4 1011 B14R2.926 NC1=NC=C(C=C1)N2CCCC2=O Z1117899729 [0,0,0,1,0,1|2,0,0]=4 1012 B14R2.926 O=C1CCCC1C2=CC=C(C=C2)Cl Z993018300 [0,0,0,1,0,1|2,0,0]=4 1013 B14R2.926 O=C1CCCC1C2=CC=C(C=C2)F Z993018334 [0,0,0,1,0,1|2,0,0]=4 1014 B14R2.926 O=C1CCCN1C2=CC=C(C=C2)Br Z55670891 [0,0,0,1,0,1|2,0,0]=4 1015 B14R2.926 O=C1CCCN1C2=CC=C(C=C2)O Z99599028 [0,0,0,1,0,1|2,0,0]=4 1016 B14R2.926 O=C1NCCC1C2=CC=C(C=C2)Cl Z1251353018 [0,0,0,1,0,1|2,0,0]=4 1017 B14R2.926 O=C1NCCN1C2=CC=C(C=C2)Br Z1269213212 [0,0,0,1,0,1|2,0,0]=4 1018 B14R2.926 O=C1NCCN1C2=CC=C(C=C2)Cl Z1491195468 [0,0,0,1,0,1|2,0,0]=4 1019 B14R2.926 O=C1OCCN1C2=CC=C(C=C2)O Z367679170 [0,0,0,1,0,1|1,0,0]=3 1020 B14R2.949 CC1=CC=C(C=C1)CC(=O)C2CC2 Z513735712 [0,0,0,1,0,1|2,0,0]=4 1021 B14R2.949 CC1=CC=C(C=C1)NC(=O)C2CC2 Z28134742 [0,0,0,1,0,1|2,0,0]=4 1022 B14R2.949 NC1=CC=C(C=C1)NC(=O)C2CC2 Z223607174 [0,0,0,1,0,1|1,0,0]=3 1023 B14R2.949 NC1=CN=C(C=C1)NC(=O)C2CC2 Z381427436 [0,0,0,1,0,1|2,0,0]=4 1024 B14R2.949 O=C(CC1=CC=C(C=C1)Cl)C2CC2 Z513735698 [0,0,0,1,0,1|2,0,0]=4 1025 B14R2.949 O=C(NC1=CC=C(C=C1)Br)C2CC2 Z27786884 [0,0,0,1,0,1|2,0,0]=4 1026 B14R2.949 O=C(NC1=CC=C(C=C1)F)C2CC2 Z27805883 [0,0,0,1,0,1|2,0,0]=4 1027 B14R2.949 O=C(NC1=CC=C(C=C1)I)C2CC2 Z30316436 [0,0,0,1,0,1|2,0,0]=4 1028 B14R2.949 O=C(NC1=CC=C(C=C1)O)C2CC2 Z335807382 [0,0,0,1,0,1|2,0,0]=4 1029 B14R2.7974 NC1=CC2=C(C=C1)NC(=O)CCC2 Z291280252 [0,0,0,1,0,1|1,0,0]=3 1030 B14R2.7974 O=C1CCCC2=C(N1)C=CC(=C2)Br Z385461178 [0,0,0,1,0,1|2,0,0]=4 1031 B14R2.7974 O=C1CCCC2=C(N1)C=CC(=C2)Cl Z1263715714 [0,0,0,1,0,1|2,0,0]=4 1032 B14R2.7974 O=C1CCCC2=C(N1)C=CC(=C2)O Z1509164164 [0,0,0,1,0,1|2,0,0]=4 1033 B14R2.8235 CC1=CC(=O)NC2=C1C=C(C=C2)N Z2588063537 [0,0,0,1,0,1|1,0,1]=4 1034 B14R2.8235 CC1CC(=O)OC2=C1C=C(C=C2)O Z1513898194 [0,0,0,1,0,1|2,0,0]=4 1035 B14R2.20 CC1=NC(=CO1)C2=CC=C(C=C2)N Z235352191 [0,1,0,1,0,0|1,0,1]=4 1036 B14R2.20 CC1=NC(=NO1)C2=CC=C(C=C2)N Z427942110 [0,1,0,1,0,0|1,0,1]=4 1037 B14R2.20 CC1=NC=C(O1)C2=CC=C(C=C2)N Z235352197 [0,1,0,1,0,0|1,0,1]=4 1038 B14R2.20 CC1=NN=C(O1)C2=CC=C(C=C2)N Z440640456 [0,1,0,1,0,0|1,0,1]=4 1039 B14R2.20 CC1=NOC(=N1)C2=CC=C(C=C2)N Z1473029611 [0,1,0,1,0,0|1,0,1]=4 1040 B14R2.68 NC1=CC=C(C=C1)C2CNCCO2 Z1278927036 [0,1,0,1,0,0|1,0,1]=4 1041 B14R2.68 NC1=CC=C(C=C1)C2COCCO2 Z4052749825 [0,1,0,1,0,0|0,0,2]=4 1042 B14R2.933 NC1=CC=C(C=C1)C(=O)NC2CC2 Z218602490 [0,1,0,1,0,0|1,0,0]=3 1043 B14R2.933 O=C(CC1CC1)C2=CC=C(C=C2)Cl Z826523960 [0,1,0,1,0,0|2,0,0]=4 1044 B14R2.933 O=C(NC1CC1)C2=CC=C(C=C2)Br Z30841042 [0,1,0,1,0,0|2,0,0]=4 1045 B14R2.933 O=C(NC1CC1)C2=CC=C(C=C2)I Z30841053 [0,1,0,1,0,0|2,0,0]=4 1046 B14R2.933 O=C(NC1CC1)C2=CC=C(C=C2)O Z183418594 [0,1,0,1,0,0|2,0,0]=4 1047 B14R2.8719 CC1=CC2=C(C=C1)C(=O)CCCO2 Z1362956347 [0,1,0,1,0,0|2,0,0]=4 1048 B14R2.8719 O=C1CCCCC2=C1C=CC(=C2)Br Z1269159915 [0,1,0,1,0,0|2,0,0]=4 1049 B14R2.8719 O=C1CCCOC2=C1C=CC(=C2)Br Z235344819 [0,1,0,1,0,0|2,0,0]=4 1050 B14R2.8719 O=C1CCCOC2=C1C=CC(=C2)Cl Z1362956332 [0,1,0,1,0,0|2,0,0]=4 1051 B14R2.8719 O=C1NCCCC2=C1C=CC(=C2)O Z1198174116 [0,1,0,1,0,0|2,0,0]=4 1052 B14R2.8719 O=C1NCCOC2=C1C=CC(=C2)Br Z1661213704 [0,1,0,1,0,0|2,0,0]=4 1053 B14R2.8751 NC1CCC(=O)C2=C1C=C(C=C2)Br Z3782678910 [0,1,0,1,0,0|2,0,0]=4 1054 B14R2.10606 NC1=CC=C(C=C1)C(=O)C2CCC2 Z1206804874 [0,1,0,1,0,0|1,0,0]=3 1055 B14R2.10606 O=C(C1=CC=C(C=C1)Br)C2CCC2 Z385417624 [0,1,0,1,0,0|2,0,0]=4 1056 B14R2.29369 CN1CCC2=C(C1=O)C=CC(=C2)N Z1262680424 [0,1,0,1,0,0|1,0,0]=3 1057 B14R2.29369 CN1CCC2=C(C1=O)C=CC(=C2)O Z1255436417 [0,1,0,1,0,0|2,0,0]=4 1058 B14R2.938 NC1=CC=C(C=C1)S(=O)(=O)C2CC2 Z1255462397 [0,1,0,1,0,0|2,0,0]=4 1059 B14R2.4640 NC1=CC2=C(C=C1)S(=O)(=O)CCC2 Z1813166616 [0,1,0,1,0,0|2,0,0]=4 1060 B14R2.29365 CC1CC2=C(C=CC(=C2)Br)C(=O)O1 Z1813376808 [0,1,0,1,0,0|1,0,0]=3 1061 B14R2.1801 CSC1=CC2=C(C=C1)C(=O)CCC2 Z959246968 [0,1,0,1,0,0|2,0,0]=4 1062 B14R2.1801 N#CC1=CC2=C(C=C1)C(=O)CCC2 Z1198159840 [0,1,0,1,0,0|1,0,1]=4 1063 B14R2.1801 NCC1=NC2=C(C=C1)C(=O)CCC2 Z1601559173 [0,1,0,1,0,0|2,0,0]=4 1064 B14R2.954 O=C(C1=CC(=C(C=C1)Cl)Cl)C2CC2 Z389927220 [0,1,0,1,0,0|2,0,0]=4 1065 B14R2.8038 NC1=C(C2=C(C=C1)C(=O)CCC2)Br Z1269122911 [0,1,0,1,0,0|1,0,0]=3 1066 B14R2.8038 NC1=C(C2=C(C=C1)C(=O)NCC2)F Z1262645254 [0,1,0,1,0,0|1,0,0]=3 1067 B14R2.8038 O=C1NCCC2=C(C(=CC=C12)Br)F Z2238689044 [0,1,0,1,0,0|2,0,0]=4 1068 B14R2.8038 O=C1NCCC2=C1C=CC(=C2Br)F Z2235192947 [0,1,0,1,0,0|2,0,0]=4 1069 B14R2.8038 O=C1NCCC2=C1C=CC(=C2Cl)Cl Z994559888 [0,1,0,1,0,0|2,0,0]=4 1070 B14R2.8038 O=C1OCCN2C1=CC=C(C2=O)Br Z3803813348 [0,1,0,1,0,0|2,0,0]=4 1071 B14R2.28472 NC1=C(C=C2CCNC(=O)C2=C1)Br Z3443962854 [0,1,0,1,0,0|2,0,0]=4 1072 B14R2.28472 NC1=C(C=C2CCNC(=O)C2=C1)F Z1262673195 [0,1,0,1,0,0|2,0,0]=4 1073 B14R2.739 NC1=C(C=CC(=C1)Br)C2=NCCO2 Z2830598017 [0,1,0,1,0,0|2,0,0]=4 1074 B14R2.9203 O=C(C1=C(C=C(C=C1)Br)Cl)C2CC2 Z1723816085 [0,1,0,1,0,0|2,0,0]=4 1075 B14R2.28480 O=C1CCCC2=C1C(=CC(=C2)F)F Z1198329497 [0,1,0,1,0,0|2,0,0]=4 1076 B10R1.11 CCOC(=O)C1=CC=CN1 Z292815334 [1,0,0,0,1,0|1,0,0]=3 1077 B10R1.11 CCOC(=O)C1=CC=NN1 Z303730206 [1,0,0,0,1,0|2,0,0]=4 1078 B10R1.11 CCOC(=O)C1=CN=CS1 Z293196510 [1,0,0,0,1,0|2,0,0]=4 1079 B10R1.11 CCOC(=O)C1=CNN=C1 Z975817026 [1,0,0,0,1,0|2,0,0]=4 1080 B10R1.11 CCOC(=O)C1=COC=N1 Z1083217768 [1,0,0,0,1,0|2,0,0]=4 1081 B10R1.11 CCOC(=O)C1=CSC=N1 Z851814010 [1,0,0,0,1,0|2,0,0]=4 1082 B10R1.14 CCC(=O)C1=CC(=CN1)Br Z3593685045 [1,0,0,0,1,0|2,0,0]=4 1083 B10R1.14 CCC(=O)C1=CC=C(S1)Cl Z275168444 [1,0,0,0,1,0|2,0,0]=4 1084 B10R1.14 COC(=O)C1=CC(=CN1)Br Z99028679 [1,0,0,0,1,0|2,0,0]=4 1085 B10R1.14 COC(=O)C1=CC(=CN1)Cl Z209672926 [1,0,0,0,1,0|2,0,0]=4 1086 B10R1.14 COC(=O)C1=CC(=CN1)N Z802671458 [1,0,0,0,1,0|1,0,0]=3 1087 B10R1.14 COC(=O)C1=CC(=CO1)Br Z1269235333 [1,0,0,0,1,0|2,0,0]=4 1088 B10R1.14 COC(=O)C1=CC(=CS1)N Z1198172172 [1,0,0,0,1,0|1,0,0]=3 1089 B10R1.14 COC(=O)C1=CC(=NN1)N Z2289798543 [1,0,0,0,1,0|2,0,0]=4 1090 B10R1.14 COC(=O)C1=CC=C(N1)Br Z1269211284 [1,0,0,0,1,0|2,0,0]=4 1091 B10R1.14 COC(=O)C1=CC=C(N1)C Z1255384708 [1,0,0,0,1,0|2,0,0]=4 1092 B10R1.14 COC(=O)C1=CC=C(O1)Br Z18368947 [1,0,0,0,1,0|2,0,0]=4 1093 B10R1.14 COC(=O)C1=CC=C(S1)N Z271004852 [1,0,0,0,1,0|1,0,0]=3 1094 B10R1.14 COC(=O)C1=CN=C(S1)N Z166605572 [1,0,0,0,1,0|2,0,0]=4 1095 B10R1.14 COC(=O)C1=CSC(=C1)I Z1153249243 [1,0,0,0,1,0|2,0,0]=4 1096 B10R1.14 COC(=O)C1=CSC(=C1)N Z1079174394 [1,0,0,0,1,0|1,0,0]=3 1097 B10R1.14 COC(=O)C1=NOC(=C1)N Z1862015833 [1,0,0,0,1,0|2,0,0]=4 1098 B12R1.32 CC#CC(=O)NC1=CC=CC=C1 Z1509183430 [1,0,0,0,0,1|1,0,1]=4 1099 B12R1.32 CCCC(=O)CC1=CC=CC=C1 Z513733628 [1,0,0,0,0,1|1,0,0]=3 1100 B12R1.32 CCNC(=O)NC1=CC=CC=C1 Z44586347 [1,0,0,0,0,1|1,0,0]=3 1101 B12R1.32 CCNC(=O)NC1=CN=CC=C1 Z44592359 [1,0,0,0,0,1|2,0,0]=4 1102 B12R1.32 CCOC(=O)CC1=CN=CC=C1 Z982129808 [1,0,0,0,0,1|1,0,0]=3 1103 B12R1.32 CCOC(=O)NC1=CN=CC=C1 Z31791377 [1,0,0,0,0,1|1,0,0]=3 1104 B12R1.32 CNCC(=O)NC1=CC=CC=C1 Z380844554 [1,0,0,0,0,1|2,0,0]=4 1105 B12R1.32 COCC(=O)CC1=CC=CC=C1 Z447897954 [1,0,0,0,0,1|2,0,0]=4 1106 B12R1.32 COCC(=O)NC1=CC=CC=C1 Z31504642 [1,0,0,0,0,1|2,0,0]=4 1107 B12R1.32 CSCC(=O)NC1=CC=CC=C1 Z27781929 [1,0,0,0,0,1|2,0,0]=4 1108 B12R1.32 NCCC(=O)NC1=CC=CC=C1 Z241054028 [1,0,0,0,0,1|2,0,0]=4 1109 B12R1.32 O=C(CCCl)NC1=CC=CC=C1 Z217707130 [1,0,0,0,0,1|2,0,0]=4 1110 B14R1.502 CCNC(=O)CCC1=CC=C(C=C1)O Z1634469457 [0,0,0,0,0,2|2,0,0]=4 1111 B14R1.502 CCNC(=O)CNC1=CC=C(C=C1)Br Z104586806 [0,0,0,0,0,2|2,0,0]=4 1112 B14R1.502 CCNC(=O)COC1=CC=C(C=C1)Cl Z19727269 [0,0,0,0,0,2|2,0,0]=4 1113 B14R1.502 CCNC(=O)COC1=CC=C(C=C1)N Z239127440 [0,0,0,0,0,2|1,0,0]=3 1114 B14R1.502 CCNC(=O)NCC1=CC=C(C=C1)C Z44616623 [0,0,0,0,0,2|2,0,0]=4 1115 B14R1.502 CCNC(=O)NCC1=CC=C(C=C1)Cl Z44585267 [0,0,0,0,0,2|2,0,0]=4 1116 B14R1.502 CCNC(=O)NCC1=CC=C(C=C1)N Z600392026 [0,0,0,0,0,2|1,0,0]=3 1117 B14R1.502 CCOC(=O)/C=C/C1=CC=C(C=C1)C Z54083206 [0,0,0,0,0,2|1,0,0]=3 1118 B14R1.502 CCOC(=O)/C=C/C1=CC=C(C=C1)N Z56770907 [0,0,0,0,0,2|0,0,0]=2 1119 B14R1.502 CCOC(=O)/C=C/C1=NC=C(C=C1)Br Z1725938497 [0,0,0,0,0,2|2,0,0]=4 1120 B14R1.502 CCOC(=O)CCC1=CC=C(C=C1)N Z1250132306 [0,0,0,0,0,2|0,0,0]=2 1121 B14R1.502 CCOC(=O)CNC1=CC=C(C=C1)F Z56968885 [0,0,0,0,0,2|1,0,0]=3 1122 B14R1.502 CCOC(=O)COC1=CC=C(C=C1)N Z239127424 [0,0,0,0,0,2|0,0,0]=2 1123 B14R1.502 CCOC(=O)COC1=CC=C(C=C1)O Z1200224157 [0,0,0,0,0,2|1,0,0]=3