0 B13R1.17 C#CCNC(=O)C1=CC=C(C=C1)Br Z52404043 [0,0,0,0,0,0|1,1,1]=3 1 B13R1.17 C#CCNC(=O)C1=CC=C(C=C1)Cl Z52403935 [0,0,0,0,0,0|1,0,1]=2 2 B13R1.17 C#CCNC(=O)C1=CC=C(C=C1)F Z52403932 [0,0,0,0,0,0|1,1,1]=3 3 B13R1.17 C#CCNC(=O)C1=CC=C(C=C1)I Z52403973 [0,0,0,0,0,0|1,1,1]=3 4 B13R1.17 C#CCNC(=O)C1=CN=C(C=C1)Cl Z52404268 [0,0,0,0,0,0|2,0,1]=3 5 B13R1.17 C#CCNC(=O)C1=CNC(=O)C=C1 Z842079346 [0,0,0,0,0,0|3,0,1]=4 6 B13R1.17 C#CCNC(=O)C1=NN=C(C=C1)Cl Z594849492 [0,0,0,0,0,0|3,0,1]=4 7 B13R1.17 C/C=N/NC(=O)C1=CC=C(C=C1)Cl Z57101908 [0,0,0,0,0,0|2,0,1]=3 8 B13R1.17 C=CCNC(=O)C1=CC=C(C=C1)Cl Z32064558 [0,0,0,0,0,0|1,0,1]=2 9 B13R1.17 C=CCNC(=O)C1=CC=C(C=C1)F Z32064555 [0,0,0,0,0,0|1,1,1]=3 10 B13R1.17 C=CCNC(=O)C1=CC=C(C=C1)N Z317077190 [0,0,0,0,0,0|2,0,1]=3 11 B13R1.17 C=CCNC(=O)C1=CN=C(C=C1)Cl Z32064750 [0,0,0,0,0,0|2,0,1]=3 12 B13R1.17 CC1=CC=C(C=C1)C(=O)NCC#N Z56801319 [0,0,0,0,0,0|2,0,1]=3 13 B13R1.17 CC1=CC=C(C=C1)C(=O)NCCN Z259720736 [0,0,0,0,0,0|2,0,0]=2 14 B13R1.17 CCCCC(=O)C1=CC=C(C=C1)F Z104483210 [0,0,0,0,0,0|2,1,0]=3 15 B13R1.17 CCCNC(=O)C1=CC=C(C=C1)N Z607822600 [0,0,0,0,0,0|2,0,0]=2 16 B13R1.17 CCCNC(=O)C1=CN=C(C=C1)C Z237806076 [0,0,0,0,0,0|3,0,0]=3 17 B13R1.17 CCCNC(=O)C1=CN=C(C=C1)Cl Z33030598 [0,0,0,0,0,0|2,0,0]=2 18 B13R1.17 CCCNC(=O)C1=CN=C(C=C1)F Z1183725597 [0,0,0,0,0,0|2,1,0]=3 19 B13R1.17 CCCOC(=O)C1=CC=C(C=C1)C Z53835724 [0,0,0,0,0,0|3,0,0]=3 20 B13R1.17 CCCOC(=O)C1=CC=C(C=C1)Cl Z53833147 [0,0,0,0,0,0|2,0,0]=2 21 B13R1.17 COCCC(=O)C1=CC=C(C=C1)F Z447807240 [0,0,0,0,0,0|3,1,0]=4 22 B13R1.17 N#CCCC(=O)C1=CC=C(C=C1)Br Z440602696 [0,0,0,0,0,0|2,1,1]=4 23 B13R1.17 N#CCCC(=O)C1=CC=C(C=C1)Cl Z440602698 [0,0,0,0,0,0|2,0,1]=3 24 B13R1.17 N#CCNC(=O)C1=CC=C(C=C1)Br Z600498322 [0,0,0,0,0,0|1,1,1]=3 25 B13R1.17 NC1=CC=C(C=C1)C(=O)NCCO Z390184974 [0,0,0,0,0,0|1,0,0]=1 26 B13R1.17 NCCNC(=O)C1=CC=C(C=C1)Br Z259720692 [0,0,0,0,0,0|1,1,0]=2 27 B13R1.17 NCCNC(=O)C1=CC=C(C=C1)Cl Z285139152 [0,0,0,0,0,0|1,0,0]=1 28 B13R1.17 NCCNC(=O)C1=CC=C(C=C1)F Z259720696 [0,0,0,0,0,0|1,1,0]=2 29 B13R1.17 NCCNC(=O)C1=CC=C(C=C1)O Z285197958 [0,0,0,0,0,0|2,0,0]=2 30 B13R1.17 NCCNC(=O)C1=NC=C(C=C1)Br Z2445760236 [0,0,0,0,0,0|2,1,0]=3 31 B13R1.17 NCCNC(=O)C1=NC=C(C=C1)Cl Z1455674448 [0,0,0,0,0,0|2,0,0]=2 32 B13R1.17 O=C(CCCO)C1=CC=C(C=C1)F Z228585372 [0,0,0,0,0,0|1,1,0]=2 33 B13R1.17 O=C(NCCO)C1=CC=C(C=C1)Cl Z31725206 [0,0,0,0,0,0|0,0,0]=0 34 B13R1.17 O=C(NCCO)C1=CC=C(C=C1)O Z253505576 [0,0,0,0,0,0|1,0,0]=1 35 B13R1.17 O=C(NCCO)C1=NC=C(C=C1)Br Z1065600868 [0,0,0,0,0,0|1,1,0]=2 36 B13R1.17 O=C(NCCO)C1=NN=C(C=C1)Cl Z734059746 [0,0,0,0,0,0|2,0,0]=2 37 B13R1.17 OCCCC(O)C1=CC=C(C=C1)F Z1251359270 [0,0,0,0,0,0|1,1,2]=4 38 B12R1.1 CC1=CC=C(C=C1)CNCCO Z57328136 [1,0,0,0,0,0|1,0,1]=3 39 B12R1.1 CCCNCC1=CC=C(C=C1)F Z57065603 [1,0,0,0,0,0|1,1,1]=4 40 B12R1.1 ClC1=CC=C(C=C1)OCCCBr Z90122426 [1,0,0,0,0,0|3,0,0]=4 41 B12R1.1 NC1=CC=C(C=C1)CCCCO Z1262622677 [1,0,0,0,0,0|2,0,1]=4 42 B12R1.1 NC1=CC=C(C=C1)COCCO Z332379572 [1,0,0,0,0,0|2,0,1]=4 43 B12R1.1 NC1=CC=C(C=C1)OCCCO Z382707186 [1,0,0,0,0,0|3,0,0]=4 44 B12R1.1 NC1=CC=C(C=C1)SCCCO Z412012390 [1,0,0,0,0,0|3,0,0]=4 45 B12R1.1 NCC/C=C/C1=CC=C(C=C1)Br Z2651620817 [1,0,0,0,0,0|2,1,0]=4 46 B12R1.1 NCCCCC1=CC=C(C=C1)Cl Z3234944947 [1,0,0,0,0,0|2,0,1]=4 47 B12R1.1 NCCOCC1=CC=C(C=C1)Cl Z1511495255 [1,0,0,0,0,0|2,0,1]=4 48 B12R1.1 NCCSCC1=CC=C(C=C1)Cl Z1891773800 [1,0,0,0,0,0|2,0,1]=4 49 B12R1.1 OCCCNC1=CC=C(C=C1)Cl Z104647680 [1,0,0,0,0,0|2,0,0]=3 50 B12R1.1 OCCCOC1=CC=C(C=C1)Br Z425795726 [1,0,0,0,0,0|2,1,0]=4 51 B12R1.1 OCCCOC1=CC=C(C=C1)F Z228585902 [1,0,0,0,0,0|2,1,0]=4 52 B12R1.1 OCCNCC1=CC=C(C=C1)F Z3225797537 [1,0,0,0,0,0|0,1,1]=3 53 B12R1.16 C=CCC(=O)C1=CC=C(C=C1)F Z808661950 [1,0,0,0,0,0|1,1,1]=4 54 B12R1.16 CC1=CC=C(C=C1)C(=O)CC#N Z317042080 [1,0,0,0,0,0|2,0,1]=4 55 B12R1.16 CC1=CC=C(C=C1)C(=O)NCO Z56801291 [1,0,0,0,0,0|1,0,0]=2 56 B12R1.16 CCCC(=O)C1=CC=C(C=C1)Cl Z104483624 [1,0,0,0,0,0|1,0,0]=2 57 B12R1.16 CCCC(=O)C1=NC=C(C=C1)Cl Z1392159744 [1,0,0,0,0,0|2,0,0]=3 58 B12R1.16 CCCC(N)C1=CC=C(C=C1)Cl Z1416203204 [1,0,0,0,0,0|2,0,1]=4 59 B12R1.16 CCNC(=O)C1=CC=C(C=C1)I Z30281227 [1,0,0,0,0,0|0,1,0]=2 60 B12R1.16 CCNC(=O)C1=CC=C(C=C1)N Z239124802 [1,0,0,0,0,0|1,0,0]=2 61 B12R1.16 CCNC(=O)C1=CC=C(C=C1)O Z183861716 [1,0,0,0,0,0|1,0,0]=2 62 B12R1.16 CCNC(=O)C1=CN=C(C=C1)Cl Z32024590 [1,0,0,0,0,0|1,0,0]=2 63 B12R1.16 CCNC(=O)C1=NN=C(C=C1)Cl Z594847842 [1,0,0,0,0,0|2,0,0]=3 64 B12R1.16 CCNC(C)C1=CC=C(C=C1)F Z451452334 [1,0,0,0,0,0|1,1,1]=4 65 B12R1.16 CCOC(=O)C1=CC=C(C=C1)N Z54178706 [1,0,0,0,0,0|2,0,0]=3 66 B12R1.16 CCOC(=O)C1=CC=C(C=C1)O Z53833636 [1,0,0,0,0,0|2,0,0]=3 67 B12R1.16 CCOC(=O)C1=CN=C(C=C1)Cl Z53836175 [1,0,0,0,0,0|2,0,0]=3 68 B12R1.16 CCOC(=O)C1=CN=C(C=C1)S Z271138134 [1,0,0,0,0,0|3,0,0]=4 69 B12R1.16 CCOC(=O)C1=CN=C(N=C1)Cl Z1160999475 [1,0,0,0,0,0|3,0,0]=4 70 B12R1.16 CCOC(=O)C1=NC=C(C=C1)N Z1198222817 [1,0,0,0,0,0|3,0,0]=4 71 B12R1.16 CCOC(=O)C1=NC=C(N=C1)Cl Z1255448994 [1,0,0,0,0,0|3,0,0]=4 72 B12R1.16 CCOC(=O)C1=NN=C(C=C1)Cl Z1160850452 [1,0,0,0,0,0|3,0,0]=4 73 B12R1.16 CN(CCO)C1=CC=C(C=C1)F Z905079510 [1,0,0,0,0,0|2,1,0]=4 74 B12R1.16 CN(CCO)C1=CC=C(C=C1)N Z359383966 [1,0,0,0,0,0|3,0,0]=4 75 B12R1.16 N#CCC(=O)C1=CC=C(C=C1)Br Z317042050 [1,0,0,0,0,0|1,1,1]=4 76 B12R1.16 N#CCC(=O)C1=CC=C(C=C1)Cl Z56963409 [1,0,0,0,0,0|1,0,1]=3 77 B12R1.16 N#CCC(=O)C1=CC=C(C=C1)F Z104520972 [1,0,0,0,0,0|1,1,1]=4 78 B12R1.16 NC(CCO)C1=CC=C(C=C1)Br Z979743656 [1,0,0,0,0,0|1,1,1]=4 79 B12R1.16 NC(CCO)C1=CC=C(C=C1)F Z979743658 [1,0,0,0,0,0|1,1,1]=4 80 B12R1.16 O=C(/C=C/[O-])C1=CC=C(C=C1)Cl Z56943452 [1,0,0,0,0,0|0,0,3]=4 81 B12R1.16 O=C(CCCl)C1=CC=C(C=C1)F Z104478542 [1,0,0,0,0,0|1,1,0]=3 82 B12R1.16 O=C(NCO)C1=CC=C(C=C1)Cl Z1198154132 [1,0,0,0,0,0|0,0,0]=1 83 B12R1.30 C#CCCC(=O)C1=CC=CC=C1 Z406376668 [1,0,0,0,0,0|2,0,1]=4 84 B12R1.30 C#CCNC(=O)C1=CC=CC=C1 Z52404005 [1,0,0,0,0,0|1,0,1]=3 85 B12R1.30 C#CCNC(=O)C1=CN=CC=C1 Z246935876 [1,0,0,0,0,0|2,0,1]=4 86 B12R1.30 C#CCNC(=O)C1=NC=CC=C1 Z220957456 [1,0,0,0,0,0|2,0,1]=4 87 B12R1.30 C=CCCC(=O)C1=CC=CC=C1 Z406376458 [1,0,0,0,0,0|2,0,1]=4 88 B12R1.30 C=CCNC(=O)C1=CC=NC=C1 Z32064550 [1,0,0,0,0,0|2,0,1]=4 89 B12R1.30 CCCNC(=O)C1=CN=CC=C1 Z33030407 [1,0,0,0,0,0|2,0,0]=3 90 B12R1.30 CCCNC(=O)C1=NC=CC=C1 Z33030324 [1,0,0,0,0,0|2,0,0]=3 91 B12R1.30 CCCNC(=O)C1=NC=CN=C1 Z33030588 [1,0,0,0,0,0|3,0,0]=4 92 B12R1.30 CCCNC(C)C1=CC=CC=C1 Z57397067 [1,0,0,0,0,0|2,0,1]=4 93 B12R1.30 CCCOC(=O)C1=CC=CC=C1 Z53835171 [1,0,0,0,0,0|2,0,0]=3 94 B12R1.30 CCSCC(=O)C1=CC=CC=C1 Z447928014 [1,0,0,0,0,0|3,0,0]=4 95 B12R1.30 CN(CCCO)C1=CC=CC=C1 Z104585644 [1,0,0,0,0,0|3,0,0]=4 96 B12R1.30 CSCCC(=O)C1=CC=CC=C1 Z1201679033 [1,0,0,0,0,0|3,0,0]=4 97 B12R1.30 C[C@H](NCCO)C1=CC=CC=C1 Z1079131628 [1,0,0,0,0,0|1,0,1]=3 98 B12R1.30 N#CCCC(=O)C1=CC=CC=C1 Z168884010 [1,0,0,0,0,0|2,0,1]=4 99 B12R1.30 NC(CCCO)C1=CC=CC=C1 Z1245735325 [1,0,0,0,0,0|2,0,1]=4 100 B12R1.30 NCCNC(=O)C1=CC=CC=C1 Z235363051 [1,0,0,0,0,0|1,0,0]=2 101 B12R1.30 NCCNC(=O)C1=CN=CC=C1 Z259720702 [1,0,0,0,0,0|2,0,0]=3 102 B12R1.30 NCCNC(=O)C1=NC=CN=C1 Z259720742 [1,0,0,0,0,0|3,0,0]=4 103 B12R1.30 O=C(CCCCl)C1=CC=CC=C1 Z104477558 [1,0,0,0,0,0|2,0,0]=3 104 B12R1.30 O=C(NCCO)C1=CC=CC=C1 Z31725250 [1,0,0,0,0,0|0,0,0]=1 105 B12R1.30 O=C(NCCO)C1=CC=NC=C1 Z31725198 [1,0,0,0,0,0|1,0,0]=2 106 B12R1.30 O=C(NCCO)C1=CN=CC=C1 Z31725207 [1,0,0,0,0,0|1,0,0]=2 107 B12R1.30 O=C(OCCCl)C1=CC=CC=C1 Z56928949 [1,0,0,0,0,0|2,0,0]=3 108 B12R1.30 O=C(OCCO)C1=CC=CC=C1 Z228585788 [1,0,0,0,0,0|1,0,0]=2 109 B14R1.10 C=CC(C)NC(=O)C1=CC=C(C=C1)C Z1401640457 [0,1,0,0,0,0|2,0,1]=4 110 B14R1.10 CC(CO)NC(=O)C1=CC=C(C=C1)N Z425723638 [0,1,0,0,0,0|1,0,0]=2 111 B14R1.10 CCC(C)NC(=O)C1=CC=C(C=C1)N Z239124564 [0,1,0,0,0,0|2,0,0]=3 112 B14R1.10 C[C@@H](C#N)NC(=O)C1=CC=C(C=C1)I Z1870626391 [0,1,0,0,0,0|1,1,1]=4 113 B14R1.10 O=C(CCl)NC(=O)C1=CC=C(C=C1)Cl Z56896918 [0,1,0,0,0,0|1,0,1]=3 114 B14R1.19 CC1=CC=C(C=C1)C(=O)CCCC#N Z1255403116 [0,1,0,0,0,0|3,0,0]=4 115 B14R1.19 CCCCNC(=O)C1=CC=C(C=C1)Cl Z31763358 [0,1,0,0,0,0|1,0,0]=2 116 B14R1.19 CCCCOC(=O)C1=CC=C(C=C1)Cl Z291806332 [0,1,0,0,0,0|2,0,0]=3 117 B14R1.19 CCCCOC(=O)C1=CC=C(C=C1)N Z57126994 [0,1,0,0,0,0|3,0,0]=4 118 B14R1.19 CCCCOC(=O)C1=CC=C(C=C1)O Z291799028 [0,1,0,0,0,0|3,0,0]=4 119 B14R1.19 COCCCC(=O)C1=CC=C(C=C1)Br Z447807228 [0,1,0,0,0,0|1,1,0]=3 120 B14R1.19 COCCNC(=N)C1=CC=C(C=C1)C Z1428159809 [0,1,0,0,0,0|2,0,0]=3 121 B14R1.19 COCCNC(=O)C1=CC=C(C=C1)Cl Z31438062 [0,1,0,0,0,0|0,0,0]=1 122 B14R1.19 COCCNC(=O)C1=CC=C(C=C1)I Z27706961 [0,1,0,0,0,0|0,1,0]=2 123 B14R1.19 COCCNC(=O)C1=CC=C(C=C1)O Z184584378 [0,1,0,0,0,0|1,0,0]=2 124 B14R1.19 COCCNC(=O)C1=CC=[N+](C=C1)[O-] Z31438667 [0,1,0,0,0,0|2,0,0]=3 125 B14R1.19 COCCNC(=O)C1=CN=C(C=C1)C Z241853534 [0,1,0,0,0,0|2,0,0]=3 126 B14R1.19 COCCNC(=O)C1=CN=C(C=C1)Cl Z31438254 [0,1,0,0,0,0|1,0,0]=2 127 B14R1.19 NC1=CC=C(C=C1)C(=O)NCCCO Z390184874 [0,1,0,0,0,0|1,0,0]=2 128 B14R1.19 NCCCNC(=O)C1=CC=C(C=C1)Br Z295405122 [0,1,0,0,0,0|1,1,0]=3 129 B14R1.19 NCCCNC(=O)C1=CC=C(C=C1)Cl Z295405126 [0,1,0,0,0,0|1,0,0]=2 130 B14R1.19 NCCCNC(=O)C1=CC=C(C=C1)F Z1165351299 [0,1,0,0,0,0|1,1,0]=3 131 B14R1.19 NCCCNC(=O)C1=CC=C(C=C1)O Z234898163 [0,1,0,0,0,0|2,0,0]=3 132 B14R1.19 O=C(NCCCO)C1=CC=C(C=C1)Cl Z68223302 [0,1,0,0,0,0|0,0,0]=1 133 B14R1.35 CC(CC#N)C(=O)C1=CC=C(C=C1)Cl Z56788137 [0,1,0,0,0,0|2,0,1]=4 134 B14R1.35 CCOC(=O)C(=O)C1=CC=C(C=C1)Cl Z838170334 [0,1,0,0,0,0|3,0,0]=4 135 B14R1.35 CN(CCO)C(=O)C1=CC=C(C=C1)Cl Z68138270 [0,1,0,0,0,0|0,0,0]=1 136 B14R1.35 CN(CCO)C(=O)C1=CC=C(C=C1)F Z68138268 [0,1,0,0,0,0|0,1,0]=2 137 B14R1.35 CN(CCO)C(=O)C1=CC=C(C=C1)O Z636112682 [0,1,0,0,0,0|1,0,0]=2 138 B14R1.35 CN(CCO)C(=O)C1=CN=C(C=C1)Cl Z352450078 [0,1,0,0,0,0|1,0,0]=2 139 B14R1.35 CN(CCO)C(=O)C1=NN=C(C=C1)Cl Z636335704 [0,1,0,0,0,0|2,0,0]=3 140 B14R1.125 C#CCNS(=O)(=O)C1=CC=C(C=C1)Cl Z53051130 [0,1,0,0,0,0|2,0,1]=4 141 B14R1.125 C=CCNS(=O)(=O)C1=CC=C(C=C1)Cl Z45529906 [0,1,0,0,0,0|2,0,1]=4 142 B14R1.125 CC1=CC=C(C=C1)S(=O)(=O)NCCN Z235352009 [0,1,0,0,0,0|3,0,0]=4 143 B14R1.125 CCCNS(=O)(=O)C1=CC=C(C=C1)Br Z45545162 [0,1,0,0,0,0|2,1,0]=4 144 B14R1.125 CCCNS(=O)(=O)C1=CC=C(C=C1)C Z45545175 [0,1,0,0,0,0|3,0,0]=4 145 B14R1.125 CCCNS(=O)(=O)C1=CC=C(C=C1)Cl Z45545161 [0,1,0,0,0,0|2,0,0]=3 146 B14R1.125 CCCNS(=O)(=O)C1=CC=C(C=C1)F Z45545178 [0,1,0,0,0,0|2,1,0]=4 147 B14R1.125 CCCNS(=O)(=O)C1=CC=C(C=C1)I Z199511130 [0,1,0,0,0,0|2,1,0]=4 148 B14R1.125 CCCNS(=O)(=O)C1=CC=C(C=C1)N Z57708626 [0,1,0,0,0,0|3,0,0]=4 149 B14R1.125 CCCNS(=O)(=O)C1=CC=C(C=C1)O Z381036118 [0,1,0,0,0,0|3,0,0]=4 150 B14R1.125 NCCNS(=O)(=O)C1=CC=C(C=C1)Br Z317256510 [0,1,0,0,0,0|2,1,0]=4 151 B14R1.125 O=S(=O)(NCCO)C1=CC=C(C=C1)Br Z57187575 [0,1,0,0,0,0|1,1,0]=3 152 B14R1.125 O=S(=O)(NCCO)C1=CC=C(C=C1)I Z425749942 [0,1,0,0,0,0|1,1,0]=3 153 B14R1.678 CC(C)CCC(=O)C1=CC=C(C=C1)Cl Z385417182 [0,1,0,0,0,0|2,0,0]=3 154 B14R1.678 CC(C)CNC(=O)C1=CC=C(C=C1)N Z239124632 [0,1,0,0,0,0|2,0,0]=3 155 B14R1.678 CC(C)CNC(=O)C1=CN=C(C=C1)Cl Z32386030 [0,1,0,0,0,0|2,0,0]=3 156 B14R1.678 CC(C)CNC(=O)C1=CN=C(C=C1)F Z1183725610 [0,1,0,0,0,0|2,1,0]=4 157 B14R1.678 CC(C)CNC(=O)C1=NN=C(C=C1)Cl Z594847832 [0,1,0,0,0,0|3,0,0]=4 158 B14R1.678 CC(O)CNC(=O)C1=CC=C(C=C1)Br Z68385279 [0,1,0,0,0,0|0,1,0]=2 159 B14R1.678 CC(O)CNC(=O)C1=CC=C(C=C1)Cl Z68385286 [0,1,0,0,0,0|0,0,0]=1 160 B14R1.678 CC1=CC=C(C=C1)C(=O)CCC(=O)O Z56899081 [0,1,0,0,0,0|2,0,1]=4 161 B14R1.678 CC1=CC=C(C=C1)C(=O)NCC(=O)N Z33547062 [0,1,0,0,0,0|1,0,2]=4 162 B14R1.678 CC1=CC=C(C=C1)C(=O)NCC(=O)O Z56899118 [0,1,0,0,0,0|1,0,1]=3 163 B14R1.678 CC1=NC=C(C=C1)C(=O)NCC(C)C Z241245692 [0,1,0,0,0,0|3,0,0]=4 164 B14R1.678 NC(=O)CNC(=O)C1=CC=C(C=C1)N Z239124972 [0,1,0,0,0,0|1,0,2]=4 165 B14R1.678 NC(=O)CNC(=O)C1=CC=C(C=C1)O Z253842400 [0,1,0,0,0,0|1,0,2]=4 166 B14R1.678 NC(=O)COC(=O)C1=CC=C(C=C1)Cl Z19702035 [0,1,0,0,0,0|1,0,2]=4 167 B14R1.678 NC1=CC=C(C=C1)C(=O)CCC(=O)O Z1255439771 [0,1,0,0,0,0|2,0,1]=4 168 B14R1.678 NC1=CC=C(C=C1)C(=O)NCC(=O)O Z104484866 [0,1,0,0,0,0|1,0,1]=3 169 B14R1.678 O=C(NCC(F)F)C1=NC=C(C=C1)Cl Z1366326024 [0,1,0,0,0,0|2,0,0]=3 170 B14R1.678 O=C(O)CCC(=O)C1=CC=C(C=C1)Br Z56860296 [0,1,0,0,0,0|1,1,1]=4 171 B14R1.678 O=C(O)CCC(=O)C1=CC=C(C=C1)Cl Z56860292 [0,1,0,0,0,0|1,0,1]=3 172 B14R1.678 O=C(O)CCC(=O)C1=CC=C(C=C1)F Z57984615 [0,1,0,0,0,0|1,1,1]=4 173 B14R1.678 O=C(O)CCC(=O)C1=CC=C(C=C1)I Z56899021 [0,1,0,0,0,0|1,1,1]=4 174 B14R1.678 O=C(O)CCC(=O)C1=CC=C(C=C1)O Z1255458188 [0,1,0,0,0,0|2,0,1]=4 175 B14R1.678 O=C(O)CCC(=O)C1=NC=C(C=C1)Cl Z1392165814 [0,1,0,0,0,0|2,0,1]=4 176 B14R1.678 O=C(O)CNC(=O)C1=CC=C(C=C1)Br Z56827662 [0,1,0,0,0,0|0,1,1]=3 177 B14R1.678 O=C(O)CNC(=O)C1=CC=C(C=C1)Cl Z56840113 [0,1,0,0,0,0|0,0,1]=2 178 B14R1.678 O=C(O)CNC(=O)C1=CC=C(C=C1)F Z56896220 [0,1,0,0,0,0|0,1,1]=3 179 B14R1.678 O=C(O)CNC(=O)C1=CC=C(C=C1)O Z285193230 [0,1,0,0,0,0|1,0,1]=3 180 B14R1.678 O=C(O)CNC(=O)C1=CN=C(C=C1)Cl Z85886785 [0,1,0,0,0,0|1,0,1]=3 181 B14R1.926 C#CCNC(=O)C1=CC=C(C=C1)C#N Z52404269 [0,1,0,0,0,0|2,0,1]=4 182 B14R1.926 C#CCNC(=O)C1=CC=C(C=C1)CN Z1686781780 [0,1,0,0,0,0|2,0,1]=4 183 B14R1.926 C#CCNC(=O)C1=CC=C(C=C1)OC Z52403983 [0,1,0,0,0,0|2,0,1]=4 184 B14R1.926 C#CCNC(=O)C1=CC=C(C=C1)SC Z52405470 [0,1,0,0,0,0|2,0,1]=4 185 B14R1.926 CCCNC(=O)C1=CC=C(C=C1)C#N Z33030599 [0,1,0,0,0,0|2,0,0]=3 186 B14R1.926 COC1=CC=C(C=C1)C(=O)NCC#N Z600498184 [0,1,0,0,0,0|2,0,1]=4 187 B14R1.926 COC1=CC=C(C=C1)C(=O)NCCN Z594272034 [0,1,0,0,0,0|2,0,0]=3 188 B14R1.926 COC1=CC=C(C=C1)C(=O)NCCO Z31725236 [0,1,0,0,0,0|1,0,0]=2 189 B14R1.926 O=CC1=CC=C(C=C1)C(=O)OCCO Z291847696 [0,1,0,0,0,0|2,0,0]=3 190 B14R1.941 C#CCNC(=O)C1=CC(=C(C=C1)C)C Z52404762 [0,1,0,0,0,0|2,0,1]=4 191 B14R1.941 C#CCNC(=O)C1=CC(=C(C=C1)C)F Z117080054 [0,1,0,0,0,0|2,0,1]=4 192 B14R1.941 C#CCNC(=O)C1=CC(=C(C=C1)Cl)Cl Z52403994 [0,1,0,0,0,0|1,0,1]=3 193 B14R1.941 C#CCNC(=O)C1=CC(=C(C=C1)I)C Z1118987154 [0,1,0,0,0,0|1,1,1]=4 194 B14R1.941 C#CCNC(=O)C1=CC(=C(C=C1)O)Cl Z188793148 [0,1,0,0,0,0|2,0,1]=4 195 B14R1.941 C=CCNC(=O)C1=CC(=C(C=C1)F)F Z82197192 [0,1,0,0,0,0|1,1,1]=4 196 B14R1.941 C=CCNC(=O)C1=CC(=C(N=C1)Cl)Cl Z32064881 [0,1,0,0,0,0|2,0,1]=4 197 B14R1.941 CC1=C(C=C(C=C1)C(=O)NCC#N)I Z1091098354 [0,1,0,0,0,0|2,0,1]=4 198 B14R1.941 CC1=C(C=C(C=C1)C(=O)NCCN)F Z259720794 [0,1,0,0,0,0|2,0,0]=3 199 B14R1.941 CC1=C(C=C(C=C1)C(=O)NCCO)Cl Z57261333 [0,1,0,0,0,0|1,0,0]=2 200 B14R1.941 CC1=C(C=CC(=C1)C(=O)NCC#N)Cl Z1413986180 [0,1,0,0,0,0|1,0,1]=3 201 B14R1.941 CC1=C(C=CC(=C1)C(=O)NCC#N)F Z1098326610 [0,1,0,0,0,0|1,1,1]=4 202 B14R1.941 CC1=C(C=CC(=C1)C(=O)NCC#N)I Z1119172205 [0,1,0,0,0,0|1,1,1]=4 203 B14R1.941 CC1=C(C=CC(=C1)C(C)NCCO)Br Z1620245808 [0,1,0,0,0,0|1,1,1]=4 204 B14R1.941 CCCNC(=O)C1=CC(=C(C=C1)C)F Z135571270 [0,1,0,0,0,0|2,0,0]=3 205 B14R1.941 CCCNC(=O)C1=CC(=C(C=C1)O)Cl Z68365931 [0,1,0,0,0,0|2,0,0]=3 206 B14R1.941 CCCNC(C)C1=CC(=C(C=C1)Cl)Cl Z451350566 [0,1,0,0,0,0|2,0,1]=4 207 B14R1.941 CCCOC(=O)C1=CC(=C(C=C1)Cl)N Z53836843 [0,1,0,0,0,0|2,0,0]=3 208 B14R1.941 CCONC(=O)C1=CC(=C(C=C1)C)I Z1090920066 [0,1,0,0,0,0|3,0,0]=4 209 B14R1.941 CCONC(=O)C1=CC(=C(C=C1)I)C Z1119015806 [0,1,0,0,0,0|2,1,0]=4 210 B14R1.941 CN1C=C(C=CC1=O)C(=O)NCCN Z2439799034 [0,1,0,0,0,0|3,0,0]=4 211 B14R1.941 N#CCNC(=O)C1=CC(=C(C=C1)Cl)Cl Z600498338 [0,1,0,0,0,0|1,0,1]=3 212 B14R1.941 N#CCNC(=O)C1=CC(=C(C=C1)I)F Z1128701974 [0,1,0,0,0,0|1,1,1]=4 213 B14R1.941 NCCNC(=O)C1=CC(=C(C=C1)Cl)Cl Z1455670971 [0,1,0,0,0,0|1,0,0]=2 214 B14R1.941 NCCNC(=O)C1=CC(=C(C=C1)F)F Z285198060 [0,1,0,0,0,0|1,1,0]=3 215 B14R1.2523 C#CCNC(=O)C1=C(C=C(C=C1)Br)C Z605768332 [0,1,0,0,0,0|1,1,1]=4 216 B14R1.2523 C#CCNC(=O)C1=C(C=C(C=C1)Br)F Z109298778 [0,1,0,0,0,0|1,1,1]=4 217 B14R1.2523 C#CCNC(=O)C1=C(C=C(C=C1)C)C Z52404525 [0,1,0,0,0,0|2,0,1]=4 218 B14R1.2523 C#CCNC(=O)C1=C(C=C(C=C1)C)O Z188792584 [0,1,0,0,0,0|2,0,1]=4 219 B14R1.2523 C#CCNC(=O)C1=C(C=C(C=C1)Cl)Br Z1419075731 [0,1,0,0,0,0|1,0,1]=3 220 B14R1.2523 C#CCNC(=O)C1=C(C=C(C=C1)Cl)Cl Z52403987 [0,1,0,0,0,0|1,0,1]=3 221 B14R1.2523 C#CCNC(=O)C1=C(C=C(C=C1)Cl)F Z109298884 [0,1,0,0,0,0|1,0,1]=3 222 B14R1.2523 C#CCNC(=O)C1=C(C=C(C=C1)F)Br Z90905235 [0,1,0,0,0,0|1,1,1]=4 223 B14R1.2523 C#CCNC(=O)C1=C(C=C(C=C1)F)Cl Z52404824 [0,1,0,0,0,0|1,1,1]=4 224 B14R1.2523 C#CCNC(=O)C1=C(C=C(C=C1)F)F Z52404473 [0,1,0,0,0,0|1,1,1]=4 225 B14R1.2523 C#CCNC(=O)C1=C(C=C(C=C1)F)I Z406565490 [0,1,0,0,0,0|1,1,1]=4 226 B14R1.2523 C#CCNC(=O)C1=C(C=C(C=C1)I)Cl Z1090895884 [0,1,0,0,0,0|1,1,1]=4 227 B14R1.2523 C=CCNC(=O)C1=C(C=C(C=C1)Br)F Z108761434 [0,1,0,0,0,0|1,1,1]=4 228 B14R1.2523 C=CCNC(=O)C1=C(C=C(C=C1)Cl)F Z108761606 [0,1,0,0,0,0|1,0,1]=3 229 B14R1.2523 C=CCNC(=O)C1=C(C=C(C=C1)F)Br Z90729834 [0,1,0,0,0,0|1,1,1]=4 230 B14R1.2523 C=CCNC(=O)C1=C(C=C(C=C1)F)Cl Z32065055 [0,1,0,0,0,0|1,1,1]=4 231 B14R1.2523 C=CCNC(=O)C1=C(C=C(C=C1)N)O Z135517292 [0,1,0,0,0,0|2,0,1]=4 232 B14R1.2523 CCCNC(=O)C1=C(C=C(C=C1)Cl)N Z239124192 [0,1,0,0,0,0|1,0,0]=2 233 B14R1.2523 CCCNC(=O)C1=C(C=C(C=C1)N)Cl Z239124194 [0,1,0,0,0,0|2,0,0]=3 234 B14R1.2523 CCONC(=O)C1=C(C=C(C=C1)Br)F Z193289032 [0,1,0,0,0,0|2,1,0]=4 235 B14R1.2523 CCONC(=O)C1=C(C=C(C=C1)Br)O Z910449340 [0,1,0,0,0,0|2,1,0]=4 236 B14R1.2523 CCONC(=O)C1=C(C=C(C=C1)Cl)Cl Z245505802 [0,1,0,0,0,0|2,0,0]=3 237 B14R1.2523 CCONC(=O)C1=C(C=C(C=C1)Cl)F Z193288994 [0,1,0,0,0,0|2,0,0]=3 238 B14R1.2523 CCONC(=O)C1=C(C=C(C=C1)F)Br Z193288508 [0,1,0,0,0,0|2,1,0]=4 239 B14R1.2523 CCONC(=O)C1=C(C=C(C=C1)F)Cl Z247485926 [0,1,0,0,0,0|2,1,0]=4 240 B14R1.2523 N#CCNC(=O)C1=C(C=C(C=C1)F)I Z981014138 [0,1,0,0,0,0|1,1,1]=4 241 B14R1.2523 NC1=CC(=C(C=C1)C(=O)NCCO)Cl Z390184964 [0,1,0,0,0,0|1,0,0]=2 242 B14R1.2523 NCCNC(=O)C1=C(C=C(C=C1)F)F Z992717078 [0,1,0,0,0,0|1,1,0]=3 243 B14R2.20 OC1CNC(C1)C2=CC=C(C=C2)Br Z2733682944 [0,0,0,1,0,0|1,1,1]=4 244 B14R2.68 BrC1=CC=C(C=C1)C2COCCN2 Z2514855011 [0,0,0,1,0,0|1,1,1]=4 245 B14R2.68 CC1=CC=C(C=C1)C2COCCN2 Z3244744194 [0,0,0,1,0,0|2,0,1]=4 246 B14R2.68 ClC1=CC=C(C=C1)C2CCCCN2 Z1082216820 [0,0,0,1,0,0|2,0,1]=4 247 B14R2.68 ClC1=CC=C(C=C1)C2CNCCN2 Z1198163929 [0,0,0,1,0,0|2,0,1]=4 248 B14R2.68 ClC1=CC=C(C=C1)C2CSCCN2 Z1210297684 [0,0,0,1,0,0|1,1,1]=4 249 B14R2.933 CC(NC1CC1)C2=CC=C(C=C2)Cl Z234893257 [0,0,0,1,0,0|2,0,1]=4 250 B14R2.933 CC1=NC=C(C=C1)C(=O)NC2CC2 Z237825502 [0,0,0,1,0,0|3,0,0]=4 251 B14R2.933 NC1=CC=C(C=C1)C(=O)NC2CC2 Z218602490 [0,0,0,1,0,0|2,0,0]=3 252 B14R2.933 O=C(CC1CC1)C2=CC=C(C=C2)Cl Z826523960 [0,0,0,1,0,0|2,0,0]=3 253 B14R2.933 O=C(NC1CC1)C2=CC=C(C=C2)Br Z30841042 [0,0,0,1,0,0|1,1,0]=3 254 B14R2.933 O=C(NC1CC1)C2=CC=C(C=C2)I Z30841053 [0,0,0,1,0,0|1,1,0]=3 255 B14R2.933 O=C(NC1CC1)C2=CC=C(C=C2)O Z183418594 [0,0,0,1,0,0|2,0,0]=3 256 B14R2.933 O=C(NC1CC1)C2=CN=C(C=C2)Br Z1269146121 [0,0,0,1,0,0|2,1,0]=4 257 B14R2.933 O=C(NC1CC1)C2=CN=C(C=C2)Cl Z32367958 [0,0,0,1,0,0|2,0,0]=3 258 B14R2.933 O=C(NC1CC1)C2=NC=C(C=C2)Br Z1065605110 [0,0,0,1,0,0|2,1,0]=4 259 B14R2.933 O=C(NC1CC1)C2=NC=C(C=C2)Cl Z1231609616 [0,0,0,1,0,0|2,0,0]=3 260 B14R2.933 O=C(NC1CC1)C2=NN=C(C=C2)Cl Z594847830 [0,0,0,1,0,0|3,0,0]=4 261 B14R2.8719 CC1=CC2=C(C=C1)C(=O)CCCO2 Z1362956347 [0,0,0,1,0,0|2,0,0]=3 262 B14R2.8719 O=C1CCCCC2=C1C=CC(=C2)Br Z1269159915 [0,0,0,1,0,0|2,1,0]=4 263 B14R2.8719 O=C1CCCOC2=C1C=CC(=C2)Br Z235344819 [0,0,0,1,0,0|1,1,0]=3 264 B14R2.8719 O=C1CCCOC2=C1C=CC(=C2)Cl Z1362956332 [0,0,0,1,0,0|1,0,0]=2 265 B14R2.8719 O=C1NCCCC2=C1C=CC(=C2)O Z1198174116 [0,0,0,1,0,0|2,0,0]=3 266 B14R2.8719 O=C1NCCOC2=C1C=CC(=C2)Br Z1661213704 [0,0,0,1,0,0|0,1,0]=2 267 B14R2.8751 NC1CCC(=O)C2=C1C=C(C=C2)Br Z3782678910 [0,0,0,1,0,0|2,1,0]=4 268 B14R2.8751 O=C1NNC(=O)C2=C1C=CC(=C2)Cl Z1813178453 [0,0,0,1,0,0|1,0,2]=4 269 B14R2.10606 NC1=CC=C(C=C1)C(=O)C2CCC2 Z1206804874 [0,0,0,1,0,0|3,0,0]=4 270 B14R2.10606 O=C(C1=CC=C(C=C1)Br)C2CCC2 Z385417624 [0,0,0,1,0,0|2,1,0]=4 271 B12R1.29 C#CCNC(=O)C1=CC=C(O1)Cl Z65871410 [0,0,0,0,1,0|2,0,1]=4 272 B12R1.29 C#CCNC(=O)C1=CC=C(S1)Cl Z52404142 [0,0,0,0,1,0|2,0,1]=4 273 B12R1.29 C=CCNC(=O)C1=CC=C(O1)Cl Z79523540 [0,0,0,0,1,0|2,0,1]=4 274 B12R1.29 CCCNC(=O)C1=CC(=CN1)Br Z183047762 [0,0,0,0,1,0|2,1,0]=4 275 B12R1.29 CCCNC(=O)C1=CC=C(S1)C Z33030420 [0,0,0,0,1,0|3,0,0]=4 276 B12R1.29 CCCNC(=O)C1=CC=C(S1)Cl Z33030524 [0,0,0,0,1,0|2,0,0]=3 277 B12R1.29 CCCNC(=O)C1=CSC(=C1)Br Z332623630 [0,0,0,0,1,0|2,1,0]=4 278 B14R1.33 C#CCNC(=O)CC1=CC=C(C=C1)Br Z52404823 [0,0,0,0,0,1|1,1,1]=4 279 B14R1.33 C#CCNC(=O)CC1=CC=C(C=C1)Cl Z52404304 [0,0,0,0,0,1|1,0,1]=3 280 B14R1.33 C#CCNC(=O)NC1=CC=C(C=C1)C Z85920003 [0,0,0,0,0,1|2,0,1]=4 281 B14R1.33 C#CCNC(=O)NC1=CC=C(C=C1)Cl Z124970690 [0,0,0,0,0,1|1,0,1]=3 282 B14R1.33 C#CCNC(=O)NC1=CC=C(C=C1)F Z166726160 [0,0,0,0,0,1|1,1,1]=4 283 B14R1.33 C=CCNC(=O)CC1=CC=C(C=C1)Br Z30519332 [0,0,0,0,0,1|1,1,1]=4 284 B14R1.33 C=CCNC(=O)NC1=CC=C(C=C1)Br Z409537556 [0,0,0,0,0,1|1,1,1]=4 285 B14R1.33 C=CCNC(=O)NC1=CC=C(C=C1)C Z55295501 [0,0,0,0,0,1|2,0,1]=4 286 B14R1.33 C=CCNC(=O)NC1=CC=C(C=C1)Cl Z55295477 [0,0,0,0,0,1|1,0,1]=3 287 B14R1.33 C=CCNC(=O)NC1=CC=C(C=C1)I Z409803848 [0,0,0,0,0,1|1,1,1]=4 288 B14R1.33 C=CCNC(=O)NC1=CC=C(C=C1)N Z270673580 [0,0,0,0,0,1|2,0,1]=4 289 B14R1.33 CCCCC(=O)OC1=CC=C(C=C1)Br Z28205141 [0,0,0,0,0,1|2,1,0]=4 290 B14R1.33 CCCNC(=O)NC1=CC=C(C=C1)F Z44586769 [0,0,0,0,0,1|1,1,0]=3 291 B14R1.33 CCONC(=O)CC1=CC=C(C=C1)Br Z193284454 [0,0,0,0,0,1|2,1,0]=4 292 B14R1.33 CCONC(=O)CC1=CC=C(C=C1)Cl Z245505846 [0,0,0,0,0,1|2,0,0]=3 293 B14R1.33 CN(CCCO)CC1=CC=C(C=C1)Cl Z105905670 [0,0,0,0,0,1|3,0,0]=4 294 B14R1.33 COCNC(=O)NC1=CC=C(C=C1)Cl Z56757265 [0,0,0,0,0,1|2,0,0]=3 295 B14R1.33 NC1=CC=C(C=C1)CC(=O)NCCO Z1160900184 [0,0,0,0,0,1|1,0,0]=2 296 B14R1.33 NCCCC(=O)NC1=CC=C(C=C1)Cl Z600397728 [0,0,0,0,0,1|2,0,0]=3 297 B14R1.33 O=C(CC1=CC=C(C=C1)O)NCCO Z135440350 [0,0,0,0,0,1|1,0,0]=2 298 B14R1.33 O=C(NCCCl)NC1=NC=C(C=C1)Cl Z44597732 [0,0,0,0,0,1|2,0,0]=3 299 B14R1.33 O=C(NCCO)NC1=CC=C(C=C1)Cl Z123743880 [0,0,0,0,0,1|0,0,0]=1 300 B14R1.33 O=C(NCCO)NC1=NC=C(C=C1)Br Z1665418173 [0,0,0,0,0,1|1,1,0]=3 301 B11R1.1 C#CCNC1=CC=C(C=C1)Cl Z3210379676 [2,0,0,0,0,0|1,0,1]=4 302 B11R1.1 CC1=CC=C(C=C1)SCCO Z149178580 [2,0,0,0,0,0|2,0,0]=4 303 B11R1.1 CCCNC1=CC=C(C=C1)Cl Z1266933829 [2,0,0,0,0,0|1,0,0]=3 304 B11R1.1 CCNCC1=CC=C(C=C1)F Z3244655509 [2,0,0,0,0,0|0,1,1]=4 305 B11R1.1 ClC1=CC=C(C=C1)OCCBr Z56926557 [2,0,0,0,0,0|2,0,0]=4 306 B11R1.1 ClCCSC1=CC=C(C=C1)Cl Z55993025 [2,0,0,0,0,0|2,0,0]=4 307 B11R1.1 NC1=CC=C(C=C1)OCCO Z332379386 [2,0,0,0,0,0|2,0,0]=4 308 B11R1.1 NCCCC1=CC=C(C=C1)Cl Z992716848 [2,0,0,0,0,0|1,0,1]=4 309 B11R1.1 NCCNC1=CC=C(C=C1)O Z3386315806 [2,0,0,0,0,0|2,0,0]=4 310 B11R1.1 NCCOC1=CC=C(C=C1)Cl Z85957193 [2,0,0,0,0,0|2,0,0]=4 311 B11R1.1 NCCSC1=CC=C(C=C1)Cl Z54751093 [2,0,0,0,0,0|2,0,0]=4 312 B11R1.1 OC/C=C/C1=CC=C(C=C1)O Z2235811101 [2,0,0,0,0,0|1,0,1]=4 313 B11R1.1 OCC#CC1=CC=C(C=C1)Cl Z540350074 [2,0,0,0,0,0|0,0,2]=4 314 B11R1.1 OCCCC1=CC=C(C=C1)F Z992949550 [2,0,0,0,0,0|0,1,1]=4 315 B11R1.1 OCCNC1=CC=C(C=C1)Br Z335275406 [2,0,0,0,0,0|0,1,0]=3 316 B11R1.1 OCCNC1=NC=C(C=C1)I Z1269164771 [2,0,0,0,0,0|1,1,0]=4 317 B11R1.1 OCCNC1=NN=C(C=C1)Cl Z359301940 [2,0,0,0,0,0|2,0,0]=4 318 B11R1.1 OCCOC1=CC=C(C=C1)Br Z335092354 [2,0,0,0,0,0|1,1,0]=4 319 B11R1.1 OCCOC1=CC=C(C=C1)O Z381414946 [2,0,0,0,0,0|2,0,0]=4 320 B11R1.1 OCCSC1=CC=C(C=C1)Br Z149190682 [2,0,0,0,0,0|1,1,0]=4 321 B11R1.1 OCCSC1=CC=C(C=C1)Cl Z149162370 [2,0,0,0,0,0|1,0,0]=3 322 B11R1.28 CCCNCC1=CC=CC=C1 Z56946091 [2,0,0,0,0,0|1,0,1]=4 323 B11R1.28 ClCCNCC1=CC=CC=C1 Z57158447 [2,0,0,0,0,0|1,0,1]=4 324 B11R1.28 OCCCNC1=CC=CC=C1 Z104584292 [2,0,0,0,0,0|2,0,0]=4 325 B11R1.28 OCCCSC1=CC=CC=C1 Z104650330 [2,0,0,0,0,0|2,0,0]=4 326 B11R1.28 OCCNCC1=CN=CC=C1 Z90504502 [2,0,0,0,0,0|1,0,1]=4 327 B11R1.28 OCCOCC1=CC=CC=C1 Z854223062 [2,0,0,0,0,0|1,0,1]=4 328 B11R1.16 C/C=C/C(=O)C1=CC=CC=C1 Z2259130553 [2,0,0,0,0,0|1,0,1]=4 329 B11R1.16 CCCC(=O)C1=CC=CC=C1 Z104477742 [2,0,0,0,0,0|1,0,0]=3 330 B11R1.16 CCCC(=O)C1=CN=CC=C1 Z513733856 [2,0,0,0,0,0|2,0,0]=4 331 B11R1.16 CCCC(=O)C1=NC=CC=C1 Z513733774 [2,0,0,0,0,0|2,0,0]=4 332 B11R1.16 CCOC(=O)C1=CC=CC=C1 Z53835169 [2,0,0,0,0,0|1,0,0]=3 333 B11R1.16 CCOC(=O)C1=CC=NC=C1 Z53833081 [2,0,0,0,0,0|2,0,0]=4 334 B11R1.16 CCOC(=O)C1=CN=CC=C1 Z104476924 [2,0,0,0,0,0|2,0,0]=4 335 B11R1.16 CN(CCO)C1=CC=CC=C1 Z138702688 [2,0,0,0,0,0|2,0,0]=4 336 B11R1.16 CSCC(=O)C1=CC=CC=C1 Z732208586 [2,0,0,0,0,0|2,0,0]=4 337 B11R1.16 N#CCC(=O)C1=CC=CC=C1 Z56899088 [2,0,0,0,0,0|1,0,1]=4 338 B11R1.16 N#CNC(=O)C1=CC=CC=C1 Z276572712 [2,0,0,0,0,0|1,0,1]=4 339 B11R1.16 NC(CCO)C1=CC=CC=C1 Z382816560 [2,0,0,0,0,0|1,0,1]=4 340 B11R1.16 NCCS(=O)C1=CC=CC=C1 Z1266854955 [2,0,0,0,0,0|2,0,0]=4 341 B11R1.16 O=C(CCCl)C1=CC=CC=C1 Z1065610596 [2,0,0,0,0,0|1,0,0]=3 342 B11R1.16 O=C(NCO)C1=CC=CC=C1 Z56799838 [2,0,0,0,0,0|0,0,0]=2 343 B11R1.16 O=C(NCO)C1=CN=CC=C1 Z57472937 [2,0,0,0,0,0|1,0,0]=3 344 B11R1.16 O=S(CCCl)C1=CC=CC=C1 Z421771494 [2,0,0,0,0,0|2,0,0]=4 345 B11R1.22 C#CC(=O)C1=CC=C(C=C1)Cl Z1266856320 [2,0,0,0,0,0|0,0,2]=4 346 B11R1.22 C=C(CO)C1=CC=C(C=C1)C Z1896562587 [2,0,0,0,0,0|2,0,0]=4 347 B11R1.22 CC1=CC=C(C=C1)C(=O)CBr Z104481640 [2,0,0,0,0,0|2,0,0]=4 348 B11R1.22 CC1=CC=C(C=C1)C(=O)CCl Z56886309 [2,0,0,0,0,0|2,0,0]=4 349 B11R1.22 CC1=CC=C(C=C1)C(=O)CN Z275368898 [2,0,0,0,0,0|2,0,0]=4 350 B11R1.22 CC1=CC=C(C=C1)C(=O)CO Z228585628 [2,0,0,0,0,0|1,0,0]=3 351 B11R1.22 CC1=CC=C(C=C1)C(=O)NO Z59182007 [2,0,0,0,0,0|1,0,0]=3 352 B11R1.22 CCC(=O)C1=CC=C(C=C1)Br Z104485724 [2,0,0,0,0,0|0,1,0]=3 353 B11R1.22 CCC(=O)C1=CC=C(C=C1)Cl Z104477486 [2,0,0,0,0,0|0,0,0]=2 354 B11R1.22 CCC(=O)C1=CC=C(C=C1)F Z104477898 [2,0,0,0,0,0|0,1,0]=3 355 B11R1.22 CCC(=O)C1=CC=C(C=C1)I Z285137052 [2,0,0,0,0,0|0,1,0]=3 356 B11R1.22 CCC(=O)C1=CC=C(C=C1)N Z1203578051 [2,0,0,0,0,0|1,0,0]=3 357 B11R1.22 CCC(=O)C1=CC=C(C=C1)O Z104499156 [2,0,0,0,0,0|1,0,0]=3 358 B11R1.22 CCC(=O)C1=CN=C(C=C1)F Z1216820526 [2,0,0,0,0,0|1,1,0]=4 359 B11R1.22 CCC(=O)C1=NC=C(C=C1)F Z1341677536 [2,0,0,0,0,0|1,1,0]=4 360 B11R1.22 CCC(N)C1=CC=C(C=C1)Cl Z221421644 [2,0,0,0,0,0|1,0,1]=4 361 B11R1.22 CCC(O)C1=CC=C(C=C1)Cl Z228586168 [2,0,0,0,0,0|0,0,2]=4 362 B11R1.22 CCS(=O)C1=CC=C(C=C1)F Z1154828228 [2,0,0,0,0,0|1,1,0]=4 363 B11R1.22 CNC(=O)C1=CC=C(C=C1)Br Z30272262 [2,0,0,0,0,0|0,1,0]=3 364 B11R1.22 CNC(=O)C1=CC=C(C=C1)C Z32016517 [2,0,0,0,0,0|1,0,0]=3 365 B11R1.22 CNC(=O)C1=CC=C(C=C1)Cl Z32016366 [2,0,0,0,0,0|0,0,0]=2 366 B11R1.22 CNC(=O)C1=CC=C(C=C1)I Z30272273 [2,0,0,0,0,0|0,1,0]=3 367 B11R1.22 CNC(=O)C1=CC=C(C=C1)N Z56985799 [2,0,0,0,0,0|1,0,0]=3 368 B11R1.22 CNC(=O)C1=CC=C(C=C1)O Z183855140 [2,0,0,0,0,0|1,0,0]=3 369 B11R1.22 CNC(=O)C1=CN=C(C=C1)Cl Z32016558 [2,0,0,0,0,0|1,0,0]=3 370 B11R1.22 CNC(=O)C1=CNC(=O)C=C1 Z812517114 [2,0,0,0,0,0|2,0,0]=4 371 B11R1.22 CNC(=O)C1=NC=C(C=C1)Br Z1065605118 [2,0,0,0,0,0|1,1,0]=4 372 B11R1.22 CNC(=O)C1=NC=C(C=C1)Cl Z1227711542 [2,0,0,0,0,0|1,0,0]=3 373 B11R1.22 CNC(=O)C1=NC=C(C=C1)N Z1438226266 [2,0,0,0,0,0|2,0,0]=4 374 B11R1.22 CNC(=O)C1=NC=C(N=C1)Cl Z1454937018 [2,0,0,0,0,0|2,0,0]=4 375 B11R1.22 CNC(=O)C1=NN=C(C=C1)Cl Z594847838 [2,0,0,0,0,0|2,0,0]=4 376 B11R1.22 CNC(C)C1=CC=C(C=C1)Cl Z159528172 [2,0,0,0,0,0|1,0,1]=4 377 B11R1.22 COC(=O)C1=CC=C(C=C1)Br Z19682625 [2,0,0,0,0,0|1,1,0]=4 378 B11R1.22 COC(=O)C1=CC=C(C=C1)I Z19776689 [2,0,0,0,0,0|1,1,0]=4 379 B11R1.22 COC(=O)C1=CC=C(C=C1)N Z54178705 [2,0,0,0,0,0|2,0,0]=4 380 B11R1.22 COC(=O)C1=CC=C(C=C1)O Z19674820 [2,0,0,0,0,0|2,0,0]=4 381 B11R1.22 COC(=O)C1=CN=C(C=C1)Cl Z18370508 [2,0,0,0,0,0|2,0,0]=4 382 B11R1.22 COC(=O)C1=NC=C(C=C1)Cl Z2903977159 [2,0,0,0,0,0|2,0,0]=4 383 B11R1.22 N/C(=N\O)/C1=CC=C(C=C1)Cl Z57627739 [2,0,0,0,0,0|1,0,1]=4 384 B11R1.22 NCC(=O)C1=CC=C(C=C1)Br Z1741980207 [2,0,0,0,0,0|1,1,0]=4 385 B11R1.22 NCC(=O)C1=CC=C(C=C1)Cl Z56928681 [2,0,0,0,0,0|1,0,0]=3 386 B11R1.22 NCC(=O)C1=CC=C(C=C1)F Z275365838 [2,0,0,0,0,0|1,1,0]=4 387 B11R1.22 NCC(=O)C1=CC=C(C=C1)O Z1198177329 [2,0,0,0,0,0|2,0,0]=4 388 B11R1.22 NCC(=O)C1=CN=C(C=C1)Cl Z2768165577 [2,0,0,0,0,0|2,0,0]=4 389 B11R1.22 NNC(=O)C1=CC=C(C=C1)Br Z56899079 [2,0,0,0,0,0|1,1,0]=4 390 B11R1.22 NNC(=O)C1=CC=C(C=C1)F Z56862389 [2,0,0,0,0,0|1,1,0]=4 391 B11R1.22 NNC(=O)C1=CC=C(C=C1)N Z57199627 [2,0,0,0,0,0|2,0,0]=4 392 B11R1.22 NNC(=O)C1=CC=C(C=C1)O Z57036327 [2,0,0,0,0,0|2,0,0]=4 393 B11R1.22 NNC(=O)C1=CN=C(C=C1)Cl Z58981925 [2,0,0,0,0,0|2,0,0]=4 394 B11R1.22 O=C(CBr)C1=CC=C(C=C1)Br Z57708731 [2,0,0,0,0,0|1,1,0]=4 395 B11R1.22 O=C(CBr)C1=CC=C(C=C1)Cl Z104484576 [2,0,0,0,0,0|1,0,0]=3 396 B11R1.22 O=C(CBr)C1=CC=C(C=C1)F Z104495742 [2,0,0,0,0,0|1,1,0]=4 397 B11R1.22 O=C(CCl)C1=CC=C(C=C1)Br Z56886257 [2,0,0,0,0,0|1,1,0]=4 398 B11R1.22 O=C(CCl)C1=CC=C(C=C1)Cl Z104477840 [2,0,0,0,0,0|1,0,0]=3 399 B11R1.22 O=C(CCl)C1=CC=C(C=C1)F Z104478978 [2,0,0,0,0,0|1,1,0]=4 400 B11R1.22 O=C(CCl)C1=CC=C(C=C1)I Z57046985 [2,0,0,0,0,0|1,1,0]=4 401 B11R1.22 O=C(CCl)C1=CC=C(C=C1)O Z104378296 [2,0,0,0,0,0|2,0,0]=4 402 B11R1.22 O=C(CO)C1=CC=C(C=C1)Cl Z906206720 [2,0,0,0,0,0|0,0,0]=2 403 B11R1.22 O=C(NO)C1=CC=C(C=C1)Br Z59181930 [2,0,0,0,0,0|0,1,0]=3 404 B11R1.22 O=C(NO)C1=CC=C(C=C1)Cl Z59181938 [2,0,0,0,0,0|0,0,0]=2 405 B11R1.22 O=C(NO)C1=CC=C(C=C1)I Z59181951 [2,0,0,0,0,0|0,1,0]=3 406 B11R1.22 O=C(NO)C1=CN=C(C=C1)Br Z1776118638 [2,0,0,0,0,0|1,1,0]=4 407 B13R1.9 COCCNCC1=CC=C(C=C1)F Z86129589 [1,1,0,0,0,0|0,1,1]=4 408 B13R1.9 NC1=CC=C(C=C1)CCNCCO Z1251358284 [1,1,0,0,0,0|1,0,1]=4 409 B13R1.9 OCCN/N=C/C1=CC=C(C=C1)Br Z56850458 [1,1,0,0,0,0|0,1,0]=3 410 B13R1.9 OCCN/N=C/C1=CC=C(C=C1)Cl Z56850515 [1,1,0,0,0,0|0,0,0]=2 411 B13R1.14 O=C(CO)NCC1=CC=C(C=C1)Cl Z199532110 [1,1,0,0,0,0|0,0,2]=4 412 B13R1.14 OCC(O)COC1=CC=C(C=C1)Cl Z995094004 [1,1,0,0,0,0|2,0,0]=4 413 B13R1.513 CC(C)CNCC1=CC=C(C=C1)Cl Z3300708565 [1,1,0,0,0,0|1,0,1]=4 414 B13R1.513 O=C(O)CNCC1=CC=C(C=C1)Cl Z1259339984 [1,1,0,0,0,0|0,0,2]=4 415 B13R1.669 OCCNCC1=CC(=C(C=C1)Cl)Cl Z90504544 [1,1,0,0,0,0|0,0,1]=3 416 B13R1.669 OCCNCC1=CC(=C(C=C1)F)Br Z90504976 [1,1,0,0,0,0|0,1,1]=4 417 B13R1.669 OCCNCC1=CC(=C(C=C1)F)F Z90504971 [1,1,0,0,0,0|0,1,1]=4 418 B13R1.21 CCN(C)C(=O)C1=CN=C(C=C1)Cl Z347221360 [1,1,0,0,0,0|1,0,0]=3 419 B13R1.21 CON(C)C(=O)C1=CC=C(C=C1)F Z54739555 [1,1,0,0,0,0|1,1,0]=4 420 B13R1.21 CON(C)C(=O)C1=CC=C(C=C1)N Z234896801 [1,1,0,0,0,0|2,0,0]=4 421 B13R1.21 NC(CO)C(O)C1=CC=C(C=C1)Cl Z2670838766 [1,1,0,0,0,0|0,0,2]=4 422 B13R1.29 CCNS(=O)(=O)C1=CC=C(C=C1)Br Z45528325 [1,1,0,0,0,0|1,1,0]=4 423 B13R1.29 CCNS(=O)(=O)C1=CC=C(C=C1)C Z45528338 [1,1,0,0,0,0|2,0,0]=4 424 B13R1.29 CCNS(=O)(=O)C1=CC=C(C=C1)Cl Z45528324 [1,1,0,0,0,0|1,0,0]=3 425 B13R1.29 CCNS(=O)(=O)C1=CC=C(C=C1)F Z45528341 [1,1,0,0,0,0|1,1,0]=4 426 B13R1.29 CCNS(=O)(=O)C1=CC=C(C=C1)I Z111456838 [1,1,0,0,0,0|1,1,0]=4 427 B13R1.29 CCNS(=O)(=O)C1=CC=C(C=C1)N Z111577334 [1,1,0,0,0,0|2,0,0]=4 428 B13R1.29 CCNS(=O)(=O)C1=CN=C(C=C1)Cl Z45528400 [1,1,0,0,0,0|2,0,0]=4 429 B13R1.29 NC1=CC=C(C=C1)S(=O)(=O)CCO Z1268152352 [1,1,0,0,0,0|2,0,0]=4 430 B13R1.29 NCCS(=O)(=O)C1=CC=C(C=C1)Cl Z803145608 [1,1,0,0,0,0|2,0,0]=4 431 B13R1.29 O=S(=O)(CCO)C1=CC=C(C=C1)Br Z431953074 [1,1,0,0,0,0|1,1,0]=4 432 B13R1.29 O=S(=O)(CCO)C1=CC=C(C=C1)Cl Z431953296 [1,1,0,0,0,0|1,0,0]=3 433 B13R1.132 CC(=O)CC(=O)C1=CC=C(C=C1)Cl Z56876401 [1,1,0,0,0,0|0,0,2]=4 434 B13R1.132 CC(C)CC(=O)C1=CC=C(C=C1)Cl Z385417372 [1,1,0,0,0,0|1,0,0]=3 435 B13R1.132 CC(C)NC(=O)C1=CC=C(C=C1)Cl Z31385854 [1,1,0,0,0,0|0,0,0]=2 436 B13R1.132 CC(C)NC(=O)C1=CC=C(C=C1)N Z239124428 [1,1,0,0,0,0|1,0,0]=3 437 B13R1.132 CC(C)NC(=O)C1=CN=C(C=C1)Cl Z31386046 [1,1,0,0,0,0|1,0,0]=3 438 B13R1.132 CC(C)NC(=O)C1=NN=C(C=C1)Cl Z594847820 [1,1,0,0,0,0|2,0,0]=4 439 B13R1.132 CC(C)OC(=O)C1=CC=C(C=C1)Cl Z53833146 [1,1,0,0,0,0|1,0,0]=3 440 B13R1.132 CC(C)OC(=O)C1=CC=C(C=C1)N Z54178707 [1,1,0,0,0,0|2,0,0]=4 441 B13R1.132 CC(C)OC(=O)C1=CC=C(C=C1)O Z53833637 [1,1,0,0,0,0|2,0,0]=4 442 B13R1.132 CC(N)CC(=O)C1=CC=C(C=C1)F Z1431002692 [1,1,0,0,0,0|1,1,0]=4 443 B13R1.132 NC(=S)NC(=O)C1=CC=C(C=C1)Cl Z85924860 [1,1,0,0,0,0|0,1,1]=4 444 B13R1.132 O=C(O)CS(=O)C1=CC=C(C=C1)Cl Z802568764 [1,1,0,0,0,0|1,0,1]=4 445 B13R1.452 CCCC(=O)C1=CC=C(C=C1)OC Z385418282 [1,1,0,0,0,0|2,0,0]=4 446 B13R1.452 CCNC(=O)C1=CC=C(C=C1)C=O Z1068186388 [1,1,0,0,0,0|1,0,0]=3 447 B13R1.452 CCNC(=O)C1=CC=C(C=C1)CN Z239125928 [1,1,0,0,0,0|1,0,0]=3 448 B13R1.452 CCNC(=O)C1=CC=C(C=C1)OC Z32024428 [1,1,0,0,0,0|1,0,0]=3 449 B13R1.452 CCOC(=O)C1=CC=C(C=C1)CN Z56788169 [1,1,0,0,0,0|2,0,0]=4 450 B13R1.452 CCOC(=O)C1=CC=C(C=C1)SC Z292454850 [1,1,0,0,0,0|2,0,0]=4 451 B13R1.452 CONC(=O)C1=CC=C(C=C1)C#N Z188880130 [1,1,0,0,0,0|2,0,0]=4 452 B13R1.452 CONC(=O)C1=CC=C(C=C1)OC Z240605130 [1,1,0,0,0,0|2,0,0]=4 453 B13R1.466 CCCC(=O)C1=CC(=C(C=C1)Cl)Cl Z389926872 [1,1,0,0,0,0|1,0,0]=3 454 B13R1.466 CCNC(=O)C1=CC(=C(C=C1)C)I Z1090275538 [1,1,0,0,0,0|1,0,0]=3 455 B13R1.466 CCNC(=O)C1=CC(=C(C=C1)C)N Z239124824 [1,1,0,0,0,0|1,0,0]=3 456 B13R1.466 CCNC(=O)C1=CC(=C(N=C1)Br)Br Z2216606029 [1,1,0,0,0,0|1,1,0]=4 457 B13R1.466 CCOC(=O)C1=CC(=C(C=C1)Br)Cl Z1269181841 [1,1,0,0,0,0|1,1,0]=4 458 B13R1.466 CCOC(=O)C1=CC(=C(C=C1)Cl)N Z53836841 [1,1,0,0,0,0|1,0,0]=3 459 B13R1.466 CCOC(=O)C1=CC(=C(C=C1)F)F Z292646542 [1,1,0,0,0,0|1,1,0]=4 460 B13R1.466 CCOC(=O)C1=CC(=C(C=C1)I)N Z1079174236 [1,1,0,0,0,0|1,1,0]=4 461 B13R1.466 CCOC(=O)C1=CC(=C(C=C1)N)Br Z300089520 [1,1,0,0,0,0|2,0,0]=4 462 B13R1.466 CCOC(=O)C1=CC(=C(C=C1)N)Cl Z3847061950 [1,1,0,0,0,0|2,0,0]=4 463 B13R1.466 CCOC(=O)C1=CC(=C(C=C1)N)O Z594210704 [1,1,0,0,0,0|2,0,0]=4 464 B13R1.466 CCOC(=O)C1=NC(=C(C=C1)Cl)Cl Z1269160484 [1,1,0,0,0,0|2,0,0]=4 465 B13R1.466 CONC(=O)C1=CC(=C(C=C1)C)C Z247486236 [1,1,0,0,0,0|2,0,0]=4 466 B13R1.466 CONC(=O)C1=CC(=C(C=C1)C)F Z247486444 [1,1,0,0,0,0|2,0,0]=4 467 B13R1.466 CONC(=O)C1=CC(=C(C=C1)C)I Z1090925878 [1,1,0,0,0,0|2,0,0]=4 468 B13R1.466 CONC(=O)C1=CC(=C(C=C1)I)C Z1119040360 [1,1,0,0,0,0|1,1,0]=4 469 B13R1.466 CONC(=O)C1=CC(=C(C=C1)I)F Z1127961092 [1,1,0,0,0,0|1,1,0]=4 470 B13R1.466 NC(CCO)C1=CC(=C(C=C1)Cl)F Z979743780 [1,1,0,0,0,0|1,0,1]=4 471 B13R1.1511 CCCC(=O)C1=C(C=C(C=C1)Cl)Cl Z802544640 [1,1,0,0,0,0|1,0,0]=3 472 B13R1.1511 CCNC(=O)C1=C(C=C(C=C1)Cl)Cl Z32024432 [1,1,0,0,0,0|0,0,0]=2 473 B13R1.1511 CCNC(=O)C1=C(C=C(C=C1)Cl)N Z239124804 [1,1,0,0,0,0|0,0,0]=2 474 B13R1.1511 CCNC(=O)C1=C(C=C(C=C1)Cl)O Z68258951 [1,1,0,0,0,0|0,0,0]=2 475 B13R1.1511 CCNC(=O)C1=C(C=C(C=C1)F)Br Z90728444 [1,1,0,0,0,0|0,1,0]=3 476 B13R1.1511 CCNC(=O)C1=C(C=C(C=C1)F)Cl Z32024895 [1,1,0,0,0,0|0,1,0]=3 477 B13R1.1511 CCNC(=O)C1=C(C=C(C=C1)I)Cl Z1090275550 [1,1,0,0,0,0|0,1,0]=3 478 B13R1.1511 CCOC(=O)C1=C(C=C(C=C1)F)Br Z283348920 [1,1,0,0,0,0|1,1,0]=4 479 B13R1.1511 CCOC(=O)C1=C(C=C(C=C1)F)C Z1198166822 [1,1,0,0,0,0|1,1,0]=4 480 B13R1.1511 CCOC(=O)C1=C(C=C(C=C1)F)F Z53836105 [1,1,0,0,0,0|1,1,0]=4 481 B13R1.1511 CCOC(=O)C1=C(C=C(N=C1)Cl)Cl Z1262255699 [1,1,0,0,0,0|2,0,0]=4 482 B13R1.1511 CCOC(=O)C1=C(N=C(C=C1)Cl)Cl Z962652392 [1,1,0,0,0,0|2,0,0]=4 483 B13R1.1511 CONC(=O)C1=C(C=C(C=C1)Br)F Z193294486 [1,1,0,0,0,0|1,1,0]=4 484 B13R1.1511 CONC(=O)C1=C(C=C(C=C1)C)C Z247486226 [1,1,0,0,0,0|2,0,0]=4 485 B13R1.1511 CONC(=O)C1=C(C=C(C=C1)Cl)Cl Z245507028 [1,1,0,0,0,0|1,0,0]=3 486 B13R1.1511 CONC(=O)C1=C(C=C(C=C1)F)Cl Z247486244 [1,1,0,0,0,0|1,1,0]=4 487 B13R1.1511 CONC(=O)C1=C(C=C(C=C1)F)F Z247486214 [1,1,0,0,0,0|1,1,0]=4 488 B13R1.1511 N#CCC(=O)C1=C(C=C(C=C1)Cl)Cl Z317042070 [1,1,0,0,0,0|1,0,1]=4 489 B13R1.11 CC(CO)NC(=O)C1=CN=CC=C1 Z353249734 [1,1,0,0,0,0|1,0,0]=3 490 B13R1.11 O=C(CCl)NC(=O)C1=CC=CC=C1 Z56907603 [1,1,0,0,0,0|1,0,1]=4 491 B13R1.18 C#CCNC(=O)C1=CC=CC(=C1)Br Z52404026 [1,1,0,0,0,0|1,0,1]=4 492 B13R1.18 C#CCNC(=O)C1=CC=CC(=C1)C Z52404761 [1,1,0,0,0,0|1,0,1]=4 493 B13R1.18 C#CCNC(=O)C1=CC=CC(=C1)Cl Z52403959 [1,1,0,0,0,0|1,0,1]=4 494 B13R1.18 C#CCNC(=O)C1=CC=CC(=C1)F Z52404583 [1,1,0,0,0,0|1,0,1]=4 495 B13R1.18 C#CCNC(=O)C1=CC=CC(=C1)I Z52404260 [1,1,0,0,0,0|1,0,1]=4 496 B13R1.18 C=CCNC(=O)C1=CC=CC(=C1)Br Z30519214 [1,1,0,0,0,0|1,0,1]=4 497 B13R1.18 C=CCNC(=O)C1=CC=CC(=C1)I Z30519239 [1,1,0,0,0,0|1,0,1]=4 498 B13R1.18 CC1=CC(=CC=C1)C(=O)NCCN Z259720776 [1,1,0,0,0,0|1,0,0]=3 499 B13R1.18 CCCNC(=O)C1=CC(=CC=C1)N Z239124184 [1,1,0,0,0,0|1,0,0]=3 500 B13R1.18 CCCNC(=O)C1=CC(=CC=C1)O Z33030404 [1,1,0,0,0,0|1,0,0]=3 501 B13R1.18 CCCNC(=O)C1=NC=CC(=C1)Cl Z82200429 [1,1,0,0,0,0|2,0,0]=4 502 B13R1.18 CCCOC(=O)C1=CC(=CC=C1)Br Z53834959 [1,1,0,0,0,0|2,0,0]=4 503 B13R1.18 CCCOC(=O)C1=CC(=CC=C1)F Z53835820 [1,1,0,0,0,0|2,0,0]=4 504 B13R1.18 CCCOC(=O)C1=CC(=CC=C1)O Z53833422 [1,1,0,0,0,0|2,0,0]=4 505 B13R1.18 CCONC(=O)C1=CC(=CC=C1)I Z193284234 [1,1,0,0,0,0|2,0,0]=4 506 B13R1.18 N#CCNC(=O)C1=CC=CC(=C1)Br Z600498404 [1,1,0,0,0,0|1,0,1]=4 507 B13R1.18 NC1=CC(=CC=C1)C(=O)NCCO Z1262250890 [1,1,0,0,0,0|0,0,0]=2 508 B13R1.18 NCCNC(=O)C1=CC(=CC=C1)Br Z992716926 [1,1,0,0,0,0|1,0,0]=3 509 B13R1.18 O=C(NCCO)C1=CC(=CC=C1)O Z31725204 [1,1,0,0,0,0|0,0,0]=2 510 B13R1.18 O=C(NCCO)C1=CC(=CN=C1)Br Z31725404 [1,1,0,0,0,0|1,0,0]=3 511 B13R1.18 O=C(OCCF)C1=CC(=CC=C1)F Z1245230115 [1,1,0,0,0,0|2,0,0]=4 512 B13R1.24 C/C(=N\NCCO)/C1=CC=NC=C1 Z56825935 [1,1,0,0,0,0|2,0,0]=4 513 B13R1.24 C=CCCCC(=O)C1=CC=CC=C1 Z1219747350 [1,1,0,0,0,0|2,0,0]=4 514 B13R1.24 CCCCNC(=O)C1=CC=CC=C1 Z31763402 [1,1,0,0,0,0|1,0,0]=3 515 B13R1.24 CCCCOC(=O)C1=CC=CC=C1 Z104473208 [1,1,0,0,0,0|2,0,0]=4 516 B13R1.24 COCCCC(=O)C1=CN=CC=C1 Z992963354 [1,1,0,0,0,0|2,0,0]=4 517 B13R1.24 COCCNC(C)C1=CC=CC=C1 Z137543082 [1,1,0,0,0,0|1,0,1]=4 518 B13R1.24 N#CCCOC(=O)C1=CC=CC=C1 Z54336333 [1,1,0,0,0,0|2,0,0]=4 519 B13R1.24 NCCCNC(=O)C1=CC=CC=C1 Z1455806932 [1,1,0,0,0,0|1,0,0]=3 520 B13R1.24 O=C(N/N=C/CCl)C1=CC=CC=C1 Z56946854 [1,1,0,0,0,0|1,0,1]=4 521 B13R1.45 CC(C)CNC(=O)C1=NC=CC=C1 Z32385756 [1,1,0,0,0,0|2,0,0]=4 522 B13R1.45 CC(O)CNC(=O)C1=CN=CC=C1 Z1416282904 [1,1,0,0,0,0|1,0,0]=3 523 B13R1.45 C[C@@H](O)CNC(=O)C1=CN=CC=C1 Z1564778137 [1,1,0,0,0,0|1,0,0]=3 524 B13R1.45 NC(=S)CNC(=O)C1=CC=CC=C1 Z211300040 [1,1,0,0,0,0|0,1,1]=4 525 B13R1.45 O=C(O)CCC(=O)C1=CC=CC=C1 Z57127328 [1,1,0,0,0,0|1,0,1]=4 526 B13R1.45 O=C(O)CNC(=O)C1=CC=CC=C1 Z56771024 [1,1,0,0,0,0|0,0,1]=3 527 B13R1.45 O=C(O)CNC(=O)C1=CC=NC=C1 Z239129814 [1,1,0,0,0,0|1,0,1]=4 528 B13R1.45 O=C(O)CNC(=O)C1=CN=CC=C1 Z239129822 [1,1,0,0,0,0|1,0,1]=4 529 B13R1.45 O=C(O)CNC(=O)C1=NC=CC=C1 Z228588744 [1,1,0,0,0,0|1,0,1]=4 530 B13R1.47 CCCC(N)C(=O)C1=CC=CC=C1 Z1507357367 [1,1,0,0,0,0|2,0,0]=4 531 B13R1.47 CN(CC#N)C(=O)C1=CC=CC=C1 Z883138496 [1,1,0,0,0,0|1,0,1]=4 532 B13R1.122 CCCNS(=O)(=O)C1=CC=CC=C1 Z45545165 [1,1,0,0,0,0|2,0,0]=4 533 B13R1.122 NCCNS(=O)(=O)C1=CC=CC=C1 Z235352029 [1,1,0,0,0,0|2,0,0]=4 534 B13R1.674 C#CCNC(=O)C1=C(C=CC=C1)C Z52404273 [1,1,0,0,0,0|1,0,1]=4 535 B13R1.674 C#CCNC(=O)C1=C(C=CC=C1)Cl Z52403781 [1,1,0,0,0,0|1,0,1]=4 536 B13R1.674 C#CCNC(=O)C1=C(C=CC=C1)F Z52403990 [1,1,0,0,0,0|1,0,1]=4 537 B13R1.674 C#CCNC(=O)C1=C(C=CC=C1)N Z94602256 [1,1,0,0,0,0|1,0,1]=4 538 B13R1.674 C#CCNC(=O)C1=C(C=CC=C1)O Z246935860 [1,1,0,0,0,0|1,0,1]=4 539 B13R1.674 C=CCNC(=O)C1=C(C=CC=C1)C Z32064754 [1,1,0,0,0,0|1,0,1]=4 540 B13R1.674 C=CCNC(=O)C1=C(C=CC=C1)N Z56808160 [1,1,0,0,0,0|1,0,1]=4 541 B13R1.674 CCCNC(=O)C1=C(C=CC=C1)N Z56347081 [1,1,0,0,0,0|1,0,0]=3 542 B13R1.674 CCCNC(=O)C1=C(C=CC=C1)O Z239152242 [1,1,0,0,0,0|1,0,0]=3 543 B13R1.674 CCCNC(=O)C1=C(N=CC=C1)Cl Z33030446 [1,1,0,0,0,0|2,0,0]=4 544 B13R1.674 CCCOC(=O)C1=C(C=CC=C1)Cl Z53833362 [1,1,0,0,0,0|2,0,0]=4 545 B13R1.674 CCCOC(=O)C1=C(C=CC=C1)O Z53833297 [1,1,0,0,0,0|2,0,0]=4 546 B13R1.674 CCONC(=O)C1=C(C=CC=C1)Br Z193284104 [1,1,0,0,0,0|2,0,0]=4 547 B13R1.674 CCONC(=O)C1=C(C=CC=C1)C Z245505830 [1,1,0,0,0,0|2,0,0]=4 548 B13R1.674 N#CCNC(=O)C1=C(C=CC=C1)F Z979003436 [1,1,0,0,0,0|1,0,1]=4 549 B13R1.674 N#CCNC(=O)C1=C(C=CC=C1)N Z799954878 [1,1,0,0,0,0|1,0,1]=4 550 B13R1.674 NC1=C(C=CC=C1)C(=O)NCCO Z390185000 [1,1,0,0,0,0|0,0,0]=2 551 B13R1.674 NCCNC(=O)C1=C(C=CC=C1)Cl Z1250132251 [1,1,0,0,0,0|1,0,0]=3 552 B13R1.674 NCCNC(=O)C1=C(C=CC=C1)F Z259720724 [1,1,0,0,0,0|1,0,0]=3 553 B13R1.674 NCCNC(=O)C1=C(C=CC=N1)O Z2377197309 [1,1,0,0,0,0|2,0,0]=4 554 B13R1.10 CCC(C)NC(=O)C1=CC=C(O1)Cl Z79365436 [0,1,0,0,1,0|2,0,0]=4 555 B13R1.10 CCC(C)NC(=O)C1=CC=C(S1)Cl Z31442196 [0,1,0,0,1,0|2,0,0]=4 556 B13R1.10 C[C@H](CF)NC(=O)C1=CC(=CS1)Cl Z3060806967 [0,1,0,0,1,0|2,0,0]=4 557 B13R1.23 COCCNC(=O)C1=CC=C(O1)Br Z31438253 [0,1,0,0,1,0|1,1,0]=4 558 B13R1.23 COCCNC(=O)C1=CC=C(O1)Cl Z79387684 [0,1,0,0,1,0|1,0,0]=3 559 B13R1.23 COCCNC(=O)C1=CC=C(S1)Br Z27706926 [0,1,0,0,1,0|1,1,0]=4 560 B13R1.23 COCCNC(=O)C1=COC(=C1)Br Z332592672 [0,1,0,0,1,0|1,1,0]=4 561 B13R1.46 CCCN(C)C(=O)C1=CSC(=C1)Cl Z1802265884 [0,1,0,0,1,0|2,0,0]=4 562 B13R1.129 CC(C)CNC(=O)C1=CC(=CN1)Cl Z139945408 [0,1,0,0,1,0|2,0,0]=4 563 B13R1.129 CC(C)CNC(=O)C1=CC=C(O1)Cl Z79547450 [0,1,0,0,1,0|2,0,0]=4 564 B13R1.129 CC(C)CNC(=O)C1=CC=C(S1)Cl Z32385956 [0,1,0,0,1,0|2,0,0]=4 565 B13R1.129 O=C(NCC(F)F)C1=CC=C(O1)Cl Z1366326155 [0,1,0,0,1,0|2,0,0]=4 566 B15R1.48 CC1=CC=C(C=C1)NC(=O)N(C)CCO Z339866240 [0,1,0,0,0,1|1,0,0]=3 567 B15R1.48 CC1=CC=C(C=C1)NC(=S)N(N)CCO Z56846721 [0,1,0,0,0,1|1,1,0]=4 568 B15R1.48 NN(CCO)C(=S)NC1=CC=C(C=C1)Cl Z56844973 [0,1,0,0,0,1|0,1,0]=3 569 B15R1.111 CC(C)CNC(=O)NC1=CC=C(C=C1)Br Z409537522 [0,1,0,0,0,1|1,1,0]=4 570 B15R1.111 CC(C)CNC(=O)NC1=CC=C(C=C1)F Z44603426 [0,1,0,0,0,1|1,1,0]=4 571 B15R1.111 CC(C)CNC(=O)NC1=CC=C(C=C1)I Z409803814 [0,1,0,0,0,1|1,1,0]=4 572 B15R1.111 CC(O)CNC(=O)NC1=CC=C(C=C1)Cl Z124035892 [0,1,0,0,0,1|0,0,0]=2 573 B15R1.111 CC1=CC=C(C=C1)NC(=O)NCC(C)O Z124035912 [0,1,0,0,0,1|1,0,0]=3 574 B15R1.111 O=C(O)CCC(=O)NC1=CC=C(C=C1)Cl Z56176927 [0,1,0,0,0,1|1,0,1]=4 575 B15R1.111 O=C(O)CNC(=O)CC1=CC=C(C=C1)O Z361585418 [0,1,0,0,0,1|1,0,1]=4 576 B15R1.111 O=C(O)CNC(=O)NC1=CC=C(C=C1)Br Z285611914 [0,1,0,0,0,1|0,1,1]=4 577 B15R1.128 CCCNCC(=O)NC1=CC=C(C=C1)Cl Z52924042 [0,1,0,0,0,1|1,0,0]=3 578 B15R1.128 CCOCNC(=O)NC1=CC=C(C=C1)Br Z56757263 [0,1,0,0,0,1|1,1,0]=4 579 B15R1.128 COCCNC(=O)CC1=CC=C(C=C1)Cl Z31438277 [0,1,0,0,0,1|0,0,0]=2 580 B15R1.128 COCCNC(=O)CC1=CC=C(C=C1)N Z239124546 [0,1,0,0,0,1|1,0,0]=3 581 B15R1.128 COCCNC(=O)NC1=CC=C(C=C1)Br Z409537676 [0,1,0,0,0,1|0,1,0]=3 582 B15R1.128 COCCNC(=O)NC1=CC=C(C=C1)C Z44584970 [0,1,0,0,0,1|1,0,0]=3 583 B15R1.128 COCCNC(=O)NC1=CC=C(C=C1)Cl Z44584944 [0,1,0,0,0,1|0,0,0]=2 584 B15R1.128 COCCNC(=O)NC1=CC=C(C=C1)F Z44584958 [0,1,0,0,0,1|0,1,0]=3 585 B15R1.128 COCCNC(=O)NC1=CC=C(C=C1)I Z409803968 [0,1,0,0,0,1|0,1,0]=3 586 B15R1.128 COCCNC(=O)NC1=CC=C(C=C1)N Z275758748 [0,1,0,0,0,1|1,0,0]=3 587 B15R1.128 COCCNC(=O)NC1=NC=C(C=C1)C Z1656953585 [0,1,0,0,0,1|2,0,0]=4 588 B15R1.128 O=C(CC1=CC=C(C=C1)I)NCCCF Z1851684984 [0,1,0,0,0,1|1,1,0]=4 589 B15R1.128 O=C(NCCCO)NC1=CC=C(C=C1)Br Z409537584 [0,1,0,0,0,1|0,1,0]=3 590 B15R1.128 O=C(NCCCO)NC1=CC=C(C=C1)Cl Z123781608 [0,1,0,0,0,1|0,0,0]=2 591 B15R1.128 O=C(NCCCO)NC1=CC=C(C=C1)I Z409803876 [0,1,0,0,0,1|0,1,0]=3 592 B15R1.981 CC(CO)NC(=O)NC1=CC=C(C=C1)Cl Z332430512 [0,1,0,0,0,1|0,0,0]=2 593 B15R1.981 CC(CO)NC(=O)NC1=CC=C(C=C1)F Z332430520 [0,1,0,0,0,1|0,1,0]=3 594 B15R1.981 CC(CO)NC(=O)NC1=CC=C(C=C1)I Z409801624 [0,1,0,0,0,1|0,1,0]=3 595 B15R1.981 CC1=CC=C(C=C1)NC(=O)NC(C)CO Z332430522 [0,1,0,0,0,1|1,0,0]=3 596 B15R1.981 CCC(C)NC(=O)CC1=CC=C(C=C1)Cl Z31442293 [0,1,0,0,0,1|1,0,0]=3 597 B15R1.981 CCC(C)NC(=O)NC1=CC=C(C=C1)C Z44585042 [0,1,0,0,0,1|2,0,0]=4 598 B15R1.981 CCC(C)NC(=O)NC1=CC=C(C=C1)Cl Z44585016 [0,1,0,0,0,1|1,0,0]=3 599 B15R1.981 CCC(C)NC(=O)NC1=CC=C(C=C1)F Z44585030 [0,1,0,0,0,1|1,1,0]=4 600 B15R1.981 C[C@@H](CO)NC(=O)NC1=NC=C(C=C1)F Z1732184523 [0,1,0,0,0,1|1,1,0]=4 601 B15R1.3908 C#CCNC(=O)NC1=CC(=C(C=C1)Cl)Cl Z85931716 [0,1,0,0,0,1|1,0,1]=4 602 B15R1.3908 C=CCNC(=O)CC1=CC(=C(C=C1)Cl)Cl Z30519248 [0,1,0,0,0,1|1,0,1]=4 603 B15R1.3908 CC1=C(C=CC(=C1)NC(=O)NCCO)Br Z445999228 [0,1,0,0,0,1|0,1,0]=3 604 B15R1.3908 CC1=C(C=CC(=C1)NC(=O)NCCO)F Z1104800648 [0,1,0,0,0,1|0,1,0]=3 605 B15R1.3908 CCCNC(=O)CC1=CC(=C(C=C1)O)O Z2044770980 [0,1,0,0,0,1|2,0,0]=4 606 B15R1.3908 N#CCNC(=O)CC1=CC(=C(C=C1)Cl)Cl Z979003726 [0,1,0,0,0,1|1,0,1]=4 607 B15R1.3908 O=C(NCCO)NC1=CC(=C(C=C1)F)Cl Z445999260 [0,1,0,0,0,1|0,1,0]=3 608 B15R1.5927 C#CCNC(=O)CC1=C(C=C(C=C1)Cl)Cl Z52404471 [0,1,0,0,0,1|1,0,1]=4 609 B15R1.5927 C=CCNC(=O)NC1=C(C=C(C=C1)Cl)C Z409699716 [0,1,0,0,0,1|1,0,1]=4 610 B15R1.5927 C=CCNC(=O)NC1=C(C=C(C=C1)Cl)F Z409943712 [0,1,0,0,0,1|1,0,1]=4 611 B15R1.5927 CC1=CC(=C(C=C1)NC(=O)NCCO)C Z445994668 [0,1,0,0,0,1|1,0,0]=3 612 B15R1.5927 CCCNC(=O)NC1=C(C=C(C=C1)F)Cl Z44603149 [0,1,0,0,0,1|1,1,0]=4 613 B15R1.5927 O=C(NCCO)NC1=C(C=C(C=C1)Cl)I Z1424632531 [0,1,0,0,0,1|0,0,0]=2 614 B15R1.5929 CCCNC(=O)NC1=CC=C(C=C1)OC Z44590045 [0,1,0,0,0,1|2,0,0]=4 615 B15R1.5929 CCCNC(=O)NC1=CC=C(C=C1)SC Z126471410 [0,1,0,0,0,1|2,0,0]=4 616 B15R1.23 CCOC(=O)NC(=O)C1=CC=C(C=C1)Cl Z107776088 [0,2,0,0,0,0|1,0,1]=4 617 B15R1.23 COCC(C)NC(=O)C1=CC=C(C=C1)Br Z26836882 [0,2,0,0,0,0|0,1,0]=3 618 B15R1.46 CCC(CO)NC(=O)C1=CC=C(C=C1)N Z425723446 [0,2,0,0,0,0|1,0,0]=3 619 B15R1.46 CC[C@H](CO)NC(=O)C1=CC=C(C=C1)I Z1594501758 [0,2,0,0,0,0|0,1,0]=3 620 B15R1.75 CC(CN)N(C)C(=O)C1=CC=C(C=C1)Br Z1457340445 [0,2,0,0,0,0|1,1,0]=4 621 B15R1.211 CCC(C)NC(=O)C1=CC=C(C=C1)C#N Z31442271 [0,2,0,0,0,0|2,0,0]=4 622 B15R1.211 CCC(C)NC(=O)C1=CC=C(C=C1)CN Z426041560 [0,2,0,0,0,0|2,0,0]=4 623 B15R1.299 CCC(C)(C)NC(=O)C1=CC=C(C=C1)F Z54128493 [0,2,0,0,0,0|1,1,0]=4 624 B15R1.299 CCC(C)(C)NC(=O)C1=CC=C(C=C1)N Z600428306 [0,2,0,0,0,0|2,0,0]=4 625 B15R1.758 CC(C#N)NC(=O)C1=CC(=C(C=C1)Cl)F Z1552297450 [0,2,0,0,0,0|1,0,1]=4 626 B15R1.758 CC(CO)NC(=O)C1=CC(=C(C=C1)F)F Z353287218 [0,2,0,0,0,0|0,1,0]=3 627 B15R1.758 CC1=C(C=C(C=C1)C(=O)N[C@@H](C)CO)I Z1468338836 [0,2,0,0,0,0|1,0,0]=3 628 B15R1.758 CCC(C)NC(=O)C1=CC(=C(C=C1)N)C Z239124570 [0,2,0,0,0,0|2,0,0]=4 629 B15R1.758 C[C@@H](C#N)NC(=O)C1=CC(=C(C=C1)Cl)F Z1870633872 [0,2,0,0,0,0|1,0,1]=4 630 B15R1.881 CC(C)C(C)NC(=O)C1=CC=C(C=C1)Cl Z56961389 [0,2,0,0,0,0|1,0,0]=3 631 B15R1.881 CC(C)C(C)NC(=O)C1=CC=C(C=C1)I Z29414626 [0,2,0,0,0,0|1,1,0]=4 632 B15R1.881 CC(CC(=O)C1=CC=C(C=C1)Cl)C(=O)O Z838957314 [0,2,0,0,0,0|1,0,1]=4 633 B15R1.881 CC(NC(=O)C1=CC=C(C=C1)Br)C(=O)O Z57229045 [0,2,0,0,0,0|0,1,1]=4 634 B15R1.881 CC(NC(=O)C1=CC=C(C=C1)Cl)C(=O)O Z57229047 [0,2,0,0,0,0|0,0,1]=3 635 B15R1.881 C[C@H](NC(=O)C1=CC=C(C=C1)Cl)C(=O)O Z56840112 [0,2,0,0,0,0|0,0,1]=3 636 B15R1.881 C[C@H](NC(=O)C1=CC=C(C=C1)F)C(=O)O Z56936647 [0,2,0,0,0,0|0,1,1]=4 637 B15R1.881 C[C@H](NC(=O)C1=NC=C(C=C1)Cl)C(=O)O Z1227711050 [0,2,0,0,0,0|1,0,1]=4 638 B15R1.10256 CC(CO)NC(=O)C1=C(C=C(C=C1)F)Br Z353243890 [0,2,0,0,0,0|0,1,0]=3 639 B15R1.10256 CCC(C)NC(=O)C1=C(C=C(C=C1)C)C Z31442413 [0,2,0,0,0,0|2,0,0]=4 640 B15R1.10256 CCC(C)NC(=O)C1=C(C=C(C=C1)Cl)F Z108602358 [0,2,0,0,0,0|1,0,0]=3 641 B15R1.10256 CCC(C)NC(=O)C1=C(C=C(C=C1)F)Cl Z31442575 [0,2,0,0,0,0|1,1,0]=4 642 B15R1.30 CCC/C=N/NC(=O)C1=CC=C(C=C1)F Z57157611 [0,2,0,0,0,0|1,1,0]=4 643 B15R1.30 CCC/C=N/NC(=O)C1=CC=C(C=C1)O Z56756945 [0,2,0,0,0,0|2,0,0]=4 644 B15R1.30 CCOCCCC(=O)C1=CC=C(C=C1)F Z447807280 [0,2,0,0,0,0|1,1,0]=4 645 B15R1.30 CCOCCNC(=O)C1=CC=C(C=C1)Br Z432417522 [0,2,0,0,0,0|0,1,0]=3 646 B15R1.30 CCOCCNC(=O)C1=CN=C(C=C1)C Z667418510 [0,2,0,0,0,0|2,0,0]=4 647 B15R1.30 COCCCNC(=O)C1=CC=C(C=C1)Br Z30233648 [0,2,0,0,0,0|0,1,0]=3 648 B15R1.30 O=C(NCCCCO)C1=CC=C(C=C1)Cl Z1888323218 [0,2,0,0,0,0|0,0,0]=2 649 B15R1.38 CC1=CC=C(C=C1)S(=O)(=O)NCCCO Z57800717 [0,2,0,0,0,0|2,0,0]=4 650 B15R1.38 CCCCNS(=O)(=O)C1=CC=C(C=C1)Cl Z45516911 [0,2,0,0,0,0|2,0,0]=4 651 B15R1.38 COCCNS(=O)(=O)C1=CC=C(C=C1)Br Z53860945 [0,2,0,0,0,0|1,1,0]=4 652 B15R1.38 COCCNS(=O)(=O)C1=CC=C(C=C1)I Z300519674 [0,2,0,0,0,0|1,1,0]=4 653 B15R1.38 COCCNS(=O)(=O)C1=CC=C(C=C1)N Z278031290 [0,2,0,0,0,0|2,0,0]=4 654 B15R1.38 O=S(=O)(NCCCO)C1=CC=C(C=C1)Br Z57800775 [0,2,0,0,0,0|1,1,0]=4 655 B15R1.38 O=S(=O)(NCCCO)C1=CC=C(C=C1)Cl Z57800749 [0,2,0,0,0,0|1,0,0]=3 656 B15R1.38 O=S(=O)(NCCCO)C1=CC=C(C=C1)I Z425748590 [0,2,0,0,0,0|1,1,0]=4 657 B15R1.132 CNC(=O)CNC(=O)C1=CC=C(C=C1)Cl Z32016168 [0,2,0,0,0,0|0,0,2]=4 658 B15R1.132 COC(=O)CNC(=O)C1=CC=C(C=C1)Br Z19498914 [0,2,0,0,0,0|0,1,1]=4 659 B15R1.132 COC(=O)CNC(=O)C1=CC=C(C=C1)F Z20188124 [0,2,0,0,0,0|0,1,1]=4 660 B15R1.132 COC(=O)CNC(=O)C1=CC=C(C=C1)I Z32887862 [0,2,0,0,0,0|0,1,1]=4 661 B15R1.132 COC(=O)CNC(=O)C1=CC=C(C=C1)N Z96092044 [0,2,0,0,0,0|1,0,1]=4 662 B15R1.132 O=C(CCl)NNC(=O)C1=CC=C(C=C1)Cl Z56899126 [0,2,0,0,0,0|1,0,1]=4 663 B15R1.132 O=C(NCC(O)CO)C1=NC=C(C=C1)Br Z1270415256 [0,2,0,0,0,0|1,1,0]=4 664 B15R1.882 CC1=CC=C(C=C1)C(=O)CCCC(=O)O Z361415418 [0,2,0,0,0,0|2,0,0]=4 665 B15R1.882 CC1=CC=C(C=C1)C(=O)NCCC(=O)O Z85914376 [0,2,0,0,0,0|1,0,0]=3 666 B15R1.882 CN(C)CCNC(=O)C1=CC=C(C=C1)Br Z30277689 [0,2,0,0,0,0|1,1,0]=4 667 B15R1.882 CN(C)CCNC(=O)C1=CC=C(C=C1)N Z239124768 [0,2,0,0,0,0|2,0,0]=4 668 B15R1.882 NC(=O)CCNC(=O)C1=CC=C(C=C1)Cl Z33547125 [0,2,0,0,0,0|0,0,1]=3 669 B15R1.882 NC(=O)CCNC(=O)C1=CC=C(C=C1)I Z816025410 [0,2,0,0,0,0|0,1,1]=4 670 B15R1.882 NC(=O)CCNC(=O)C1=CC=C(C=C1)N Z415735020 [0,2,0,0,0,0|1,0,1]=4 671 B15R1.882 NC1=CC=C(C=C1)C(=O)NCCC(=O)O Z90661320 [0,2,0,0,0,0|1,0,0]=3 672 B15R1.882 O=C(O)CCCC(=O)C1=CC=C(C=C1)Br Z361415350 [0,2,0,0,0,0|1,1,0]=4 673 B15R1.882 O=C(O)CCCC(=O)C1=CC=C(C=C1)F Z330828710 [0,2,0,0,0,0|1,1,0]=4 674 B15R1.882 O=C(O)CCNC(=O)C1=CC=C(C=C1)Br Z56940973 [0,2,0,0,0,0|0,1,0]=3 675 B15R1.882 O=C(O)CCNC(=O)C1=CC=C(C=C1)Cl Z56943777 [0,2,0,0,0,0|0,0,0]=2 676 B15R1.882 O=C(O)CCNC(=O)C1=CC=C(C=C1)F Z85914341 [0,2,0,0,0,0|0,1,0]=3 677 B15R1.882 O=C(O)CSCC(=O)C1=CC=C(C=C1)Cl Z275931696 [0,2,0,0,0,0|1,0,1]=4 678 B15R1.1389 CCC1=CC=C(C=C1)C(=O)NCCOC Z31438377 [0,2,0,0,0,0|1,0,0]=3 679 B15R1.1389 CCCCNC(=O)C1=CC=C(C=C1)C#N Z31763551 [0,2,0,0,0,0|2,0,0]=4 680 B15R1.1389 CCCCNC(=O)C1=CC=C(C=C1)CN Z415636648 [0,2,0,0,0,0|2,0,0]=4 681 B15R1.1389 CCCCNC(=O)C1=CC=C(C=C1)OC Z31763388 [0,2,0,0,0,0|2,0,0]=4 682 B15R1.1389 COCCNC(=O)C1=CC=C(C=C1)C#N Z31438255 [0,2,0,0,0,0|1,0,0]=3 683 B15R1.1389 COCCNC(=O)C1=CC=C(C=C1)SC Z51814939 [0,2,0,0,0,0|1,0,0]=3 684 B15R1.1404 CC1=C(C=CC(=C1)C(=O)NCCC#N)Br Z1649788267 [0,2,0,0,0,0|1,1,0]=4 685 B15R1.1404 CCCCNC(=O)C1=CC(=C(C=C1)O)Cl Z68179024 [0,2,0,0,0,0|2,0,0]=4 686 B15R1.1404 COCCNC(=O)C1=CC(=C(C=C1)C)C Z31438526 [0,2,0,0,0,0|1,0,0]=3 687 B15R1.1404 COCCNC(=O)C1=CC(=C(C=C1)Cl)N Z239124522 [0,2,0,0,0,0|0,0,0]=2 688 B15R1.1404 COCCNC(=O)C1=CC(=C(C=C1)O)Cl Z68107497 [0,2,0,0,0,0|1,0,0]=3 689 B15R1.1404 N#CCCNC(=O)C1=CC(=C(C=C1)F)Cl Z1551903153 [0,2,0,0,0,0|1,1,0]=4 690 B15R1.1404 O=C(NCCCO)C1=CC(=C(C=C1)Cl)Cl Z68225261 [0,2,0,0,0,0|0,0,0]=2 691 B15R1.3309 CCCCNC(=O)C1=C(C=C(C=C1)Cl)O Z183600048 [0,2,0,0,0,0|1,0,0]=3 692 B15R1.3309 COCCNC(=O)C1=C(C=C(C=C1)Br)F Z108623836 [0,2,0,0,0,0|0,1,0]=3 693 B15R1.3309 COCCNC(=O)C1=C(C=C(C=C1)Br)O Z862270214 [0,2,0,0,0,0|0,1,0]=3 694 B15R1.3309 COCCNC(=O)C1=C(C=C(C=C1)C)C Z31438397 [0,2,0,0,0,0|1,0,0]=3 695 B15R1.3309 COCCNC(=O)C1=C(C=C(C=C1)Cl)F Z108624038 [0,2,0,0,0,0|0,0,0]=2 696 B15R1.3309 COCCNC(=O)C1=C(C=C(C=C1)F)Br Z90705240 [0,2,0,0,0,0|0,1,0]=3 697 B15R1.3309 COCCNC(=O)C1=C(C=C(C=C1)F)Cl Z31438559 [0,2,0,0,0,0|0,1,0]=3 698 B15R1.3309 COCCNC(=O)C1=C(C=C(C=C1)N)Cl Z594038076 [0,2,0,0,0,0|1,0,0]=3 699 B15R1.3309 COCCNC(=O)C1=CC=C(NC1=O)C Z608429832 [0,2,0,0,0,0|2,0,0]=4 700 B15R1.3309 O=C(NCCCF)C1=C(C=C(C=C1)O)O Z1633554867 [0,2,0,0,0,0|2,0,0]=4 701 B15R1.3309 O=C(NCCCO)C1=C(C=C(C=C1)I)Cl Z1451540668 [0,2,0,0,0,0|0,1,0]=3 702 B15R1.3309 O=C(NCCCO)C1=C(C=C(C=N1)Br)Br Z1676792288 [0,2,0,0,0,0|1,1,0]=4 703 B15R1.619 CN(CCO)S(=O)(=O)C1=CC=C(C=C1)N Z390185328 [0,2,0,0,0,0|2,0,0]=4 704 B15R1.880 CC(CC(=O)O)C(=O)C1=CC=C(C=C1)Cl Z56763686 [0,2,0,0,0,0|1,0,1]=4 705 B15R1.880 CN(CC(=O)O)C(=O)C1=CC=C(C=C1)F Z85895198 [0,2,0,0,0,0|0,1,1]=4 706 B15R1.880 CN(CC(=O)O)C(=O)C1=NC=C(C=C1)Cl Z1227710940 [0,2,0,0,0,0|1,0,1]=4 707 B15R1.880 O=C(O)CC(Br)C(=O)C1=CC=C(C=C1)Cl Z56886304 [0,2,0,0,0,0|1,0,1]=4 708 B15R1.3956 C#CCN(C)C(=O)C1=CC(=C(C=C1)Cl)F Z1841064433 [0,2,0,0,0,0|1,0,1]=4 709 B15R1.3956 CC1=C(C=C(C=C1)C(=O)N(C)CCO)C Z68138453 [0,2,0,0,0,0|1,0,0]=3 710 B15R1.3956 CC1=C(C=C(C=C1)C(=O)N(C)CCO)F Z135426658 [0,2,0,0,0,0|1,0,0]=3 711 B15R1.3956 CC1=C(C=CC(=C1)C(=O)N(C)CCO)Cl Z1527154441 [0,2,0,0,0,0|0,0,0]=2 712 B15R1.3956 CCCN(C)C(=O)C1=CC(=C(C=C1)Cl)F Z1552324767 [0,2,0,0,0,0|1,0,0]=3 713 B15R1.3956 CN(CCO)C(=O)C1=CC(=C(C=C1)F)Cl Z1527143356 [0,2,0,0,0,0|0,1,0]=3 714 B15R1.16836 C#CCN(C)C(=O)C1=C(C=C(C=C1)Cl)C Z1841067246 [0,2,0,0,0,0|1,0,1]=4 715 B15R1.16836 CC1=C(C=CC(=C1)F)C(=O)N(C)CCO Z1527148054 [0,2,0,0,0,0|0,1,0]=3 716 B15R1.16836 CC1=CC(=C(C=C1)C(=O)N(C)CCO)C Z68138388 [0,2,0,0,0,0|1,0,0]=3 717 B15R1.903 CC(C)CNS(=O)(=O)C1=CC=C(C=C1)Cl Z45535330 [0,2,0,0,0,0|2,0,0]=4 718 B15R1.903 CC(O)CNS(=O)(=O)C1=CC=C(C=C1)Br Z223278666 [0,2,0,0,0,0|1,1,0]=4 719 B15R1.903 CC(O)CNS(=O)(=O)C1=CC=C(C=C1)Cl Z223278662 [0,2,0,0,0,0|1,0,0]=3 720 B15R1.903 CC(O)CNS(=O)(=O)C1=CC=C(C=C1)I Z405928168 [0,2,0,0,0,0|1,1,0]=4 721 B15R1.903 O=C(O)CNS(=O)(=O)C1=CC=C(C=C1)Cl Z45658529 [0,2,0,0,0,0|1,0,1]=4 722 B15R1.5419 CC1=C(C=C(C=C1)S(=O)(=O)NCCO)C Z425750170 [0,2,0,0,0,0|2,0,0]=4 723 B15R1.5419 CC1=C(C=CC(=C1)S(=O)(=O)NCCO)Cl Z992948444 [0,2,0,0,0,0|1,0,0]=3 724 B15R1.5419 CCCNS(=O)(=O)C1=CC(=C(C=C1)Cl)C Z1965692784 [0,2,0,0,0,0|2,0,0]=4 725 B15R1.5419 CCCNS(=O)(=O)C1=CC(=C(C=C1)Cl)Cl Z45545184 [0,2,0,0,0,0|2,0,0]=4 726 B15R1.5419 O=S(=O)(NCCO)C1=CC(=C(C=C1)Cl)Cl Z425749890 [0,2,0,0,0,0|1,0,0]=3 727 B15R1.22397 CC1=CC(=C(C=C1)S(=O)(=O)NCCO)C Z425750180 [0,2,0,0,0,0|2,0,0]=4 728 B15R1.22397 CCCNS(=O)(=O)C1=C(C=C(C=C1)Cl)Cl Z1966677469 [0,2,0,0,0,0|2,0,0]=4 729 B15R1.22397 O=S(=O)(NCCO)C1=C(C=C(C=C1)Cl)Cl Z992948460 [0,2,0,0,0,0|1,0,0]=3 730 B15R1.5 CC(C)CNC(=O)C1=CC=C(C=C1)C#N Z32386031 [0,2,0,0,0,0|2,0,0]=4 731 B15R1.5 COC1=CC=C(C=C1)C(=O)NCC(=O)O Z56922151 [0,2,0,0,0,0|1,0,1]=4 732 B15R1.5 N#CC1=CC=C(C=C1)C(=O)NCC(=O)O Z85886786 [0,2,0,0,0,0|1,0,1]=4 733 B15R1.5 O=C(O)CNC(=O)C1=CC=C(C=C1)CO Z99599328 [0,2,0,0,0,0|1,0,1]=4 734 B15R1.889 CC(C)CNC(=O)C1=CC(=C(C=C1)O)Cl Z68275976 [0,2,0,0,0,0|2,0,0]=4 735 B15R1.889 CC(C)ONC(=O)C1=CC(=C(C=C1)Cl)F Z2230002146 [0,2,0,0,0,0|2,0,0]=4 736 B15R1.889 CC1=C(C=C(C=C1)C(=O)NCC(=O)O)C Z56884346 [0,2,0,0,0,0|1,0,1]=4 737 B15R1.889 CC1=C(C=C(C=C1)C(=O)NCC(=O)O)F Z224128906 [0,2,0,0,0,0|1,0,1]=4 738 B15R1.889 CC1=C(C=CC(=C1)C(=O)NCC(=O)O)Cl Z1455009926 [0,2,0,0,0,0|0,0,1]=3 739 B15R1.889 CC1=C(C=CC(=C1)C(=O)NCC(=O)O)I Z1443710972 [0,2,0,0,0,0|0,1,1]=4 740 B15R1.889 CC1=C(C=CC(=C1)C(=O)NCC(C)C)N Z239124638 [0,2,0,0,0,0|2,0,0]=4 741 B15R1.889 CC1=C(C=CC(=C1)C(=O)NCC(C)O)F Z1098328423 [0,2,0,0,0,0|0,1,0]=3 742 B15R1.889 C[C@@H](O)CNC(=O)C1=CC(=C(C=C1)F)F Z1566429385 [0,2,0,0,0,0|0,1,0]=3 743 B15R1.889 O=C(O)CNC(=O)C1=CC(=C(C=C1)Cl)Cl Z56921152 [0,2,0,0,0,0|0,0,1]=3 744 B15R1.889 O=C(O)CNC(=O)C1=CC(=C(C=C1)Cl)F Z1869504329 [0,2,0,0,0,0|0,0,1]=3 745 B15R1.889 O=C(O)CNC(=O)C1=CC(=C(C=C1)F)Cl Z1455012309 [0,2,0,0,0,0|0,1,1]=4 746 B15R1.889 O=C(O)CNC(=O)C1=CC(=C(C=C1)F)F Z57249053 [0,2,0,0,0,0|0,1,1]=4 747 B15R1.889 O=C(O)CNC(=O)C1=CC(=C(N=C1)Cl)Br Z2068979302 [0,2,0,0,0,0|1,0,1]=4 748 B15R1.889 O=C(O)CNC(=O)C1=CC(=C(N=C1)Cl)Cl Z85886822 [0,2,0,0,0,0|1,0,1]=4 749 B15R1.892 CC(C)(O)CNC(=O)C1=NC=C(C=C1)Cl Z1258733828 [0,2,0,0,0,0|1,0,0]=3 750 B15R1.892 NC1=CC=C(C=C1)C(=O)NCC(F)(F)F Z295451420 [0,2,0,0,0,0|2,0,0]=4 751 B15R1.892 O=C(NCC(F)(F)F)C1=CC=C(C=C1)F Z33476179 [0,2,0,0,0,0|1,1,0]=4 752 B15R1.892 O=C(NCC(F)(F)F)C1=CC=C(C=C1)O Z68679833 [0,2,0,0,0,0|2,0,0]=4 753 B15R1.5822 CC(C)CNC(=O)C1=C(C=C(C=C1)N)Cl Z239124636 [0,2,0,0,0,0|2,0,0]=4 754 B15R1.5822 CC(O)CNC(=O)C1=C(C=C(C=C1)Br)Cl Z448248614 [0,2,0,0,0,0|0,1,0]=3 755 B15R1.5822 CC(O)CNC(=O)C1=C(C=C(C=C1)Br)F Z352704742 [0,2,0,0,0,0|0,1,0]=3 756 B15R1.5822 CC1=C(C=CC(=C1)Br)C(=O)NCC(C)O Z444299230 [0,2,0,0,0,0|0,1,0]=3 757 B15R1.5822 CC1=CC(=C(C=C1)C(=O)NCC(C)C)C Z32386173 [0,2,0,0,0,0|2,0,0]=4 758 B15R1.5822 CC1=CC(=C(C=C1)C(=O)NCC(C)O)C Z68385404 [0,2,0,0,0,0|1,0,0]=3 759 B15R1.5822 O=C(O)CNC(=O)C1=C(C=C(C=C1)Cl)Cl Z56823545 [0,2,0,0,0,0|0,0,1]=3 760 B15R1.5822 O=C(O)CNC(=O)C1=C(C=C(C=C1)F)Cl Z85886873 [0,2,0,0,0,0|0,1,1]=4 761 B15R1.5822 O=C(O)CNC(=O)C1=C(C=C(C=C1)F)F Z85886770 [0,2,0,0,0,0|0,1,1]=4 762 B15R1.1222 CCCNC(=O)C1=CC=C(C=C1)N(C)C Z33030616 [0,2,0,0,0,0|2,0,0]=4 763 B15R1.2345 C#CCNC(=O)C1=CC(=C(C=C1Cl)Cl)F Z90905211 [0,2,0,0,0,0|1,0,1]=4 764 B13R2.12 CC1=CC=C(C=C1)C2=NCCN2 Z283690302 [1,0,0,1,0,0|2,0,0]=4 765 B13R2.12 ClC1=CC=C(C=C1)C2=NCCN2 Z235362997 [1,0,0,1,0,0|1,0,0]=3 766 B13R2.12 ClC1=CC=C(C=C1)C2CCCN2 Z1262246112 [1,0,0,1,0,0|1,0,1]=4 767 B13R2.162 OC1CCCC2=C1C=C(C=C2)Cl Z1008483484 [1,0,0,1,0,0|1,0,1]=4 768 B13R2.527 ClC1=CC=C(C=C1)CNC2CC2 Z86138866 [1,0,0,1,0,0|1,0,1]=4 769 B13R2.527 ClC1=CC=C(C=C1)OCC2CO2 Z94602271 [1,0,0,1,0,0|2,0,0]=4 770 B13R2.527 ClC1=CC=C(C=C1)OC[C@H]2CO2 Z1198182187 [1,0,0,1,0,0|2,0,0]=4 771 B13R2.3729 BrC1=CC2=C(C=C1)CNCCO2 Z2587654837 [1,0,0,1,0,0|0,1,1]=4 772 B13R2.3729 CC1=CC2=C(C=C1)CNCCO2 Z5001789364 [1,0,0,1,0,0|1,0,1]=4 773 B13R2.3729 ClC1=CC2=C(C=C1)CNCCO2 Z3292855287 [1,0,0,1,0,0|0,0,1]=3 774 B13R2.3729 ClC1=CC2=C(C=C1)OCCCO2 Z382713972 [1,0,0,1,0,0|2,0,0]=4 775 B13R2.3729 OC1=CC2=C(C=C1)CNCCO2 Z2034364686 [1,0,0,1,0,0|1,0,1]=4 776 B13R2.520 CC1=CC=C(C=C1)C(=O)C2CC2 Z99599706 [1,0,0,1,0,0|2,0,0]=4 777 B13R2.520 NC1=CC=C(C=C1)C(=O)C2CC2 Z2429426254 [1,0,0,1,0,0|2,0,0]=4 778 B13R2.520 O=C(C1=CC=C(C=C1)Br)C2CC2 Z385417650 [1,0,0,1,0,0|1,1,0]=4 779 B13R2.520 O=C(C1=CC=C(C=C1)F)C2CC2 Z361989374 [1,0,0,1,0,0|1,1,0]=4 780 B13R2.5179 NC1=CC2=C(C=C1)C(=O)CCC2 Z968852624 [1,0,0,1,0,0|2,0,0]=4 781 B13R2.5179 NC1=CC2=C(C=C1)C(=O)NCC2 Z1198280382 [1,0,0,1,0,0|1,0,0]=3 782 B13R2.5179 NC1CCOC2=C1C=CC(=C2)Cl Z2044769360 [1,0,0,1,0,0|1,0,1]=4 783 B13R2.5179 O=C1CCCC2=C1C=CC(=C2)F Z1198183228 [1,0,0,1,0,0|1,1,0]=4 784 B13R2.5179 O=C1CCCC2=C1C=CC(=C2)O Z877546758 [1,0,0,1,0,0|2,0,0]=4 785 B13R2.5179 O=C1CCCC2=C1C=CC(=N2)Cl Z1198181042 [1,0,0,1,0,0|2,0,0]=4 786 B13R2.5179 O=C1CCCC2=CC(=NC=C12)Cl Z1255441743 [1,0,0,1,0,0|2,0,0]=4 787 B13R2.5179 O=C1CCOC2=C1C=CC(=C2)Cl Z1198222022 [1,0,0,1,0,0|0,0,0]=2 788 B13R2.5179 O=C1CCOC2=C1C=CC(=C2)O Z1198180631 [1,0,0,1,0,0|1,0,0]=3 789 B13R2.5179 O=C1COCC2=C1C=CC(=C2)Cl Z1255365577 [1,0,0,1,0,0|2,0,0]=4 790 B13R2.5179 O=C1NC=CC2=C1C=CC(=C2)Cl Z1255461954 [1,0,0,1,0,0|0,0,2]=4 791 B13R2.5179 O=C1NC=NC2=C1C=CC(=C2)Cl Z57683681 [1,0,0,1,0,0|1,0,1]=4 792 B13R2.5179 O=C1NCCC2=C1C=CC(=C2)Br Z1192379518 [1,0,0,1,0,0|0,1,0]=3 793 B13R2.5179 O=C1NCCC2=C1C=CC(=C2)Cl Z1198164329 [1,0,0,1,0,0|0,0,0]=2 794 B13R2.5179 O=C1NCCC2=C1C=CC(=C2)F Z1198164327 [1,0,0,1,0,0|0,1,0]=3 795 B13R2.5179 O=C1NCCC2=C1C=CC(=C2)O Z1198175558 [1,0,0,1,0,0|1,0,0]=3 796 B13R2.5179 O=C1NN=CC2=C1C=CC(=C2)Cl Z1255374703 [1,0,0,1,0,0|1,0,1]=4 797 B13R2.5179 O=C1OCCC2=C1C=CC(=C2)Br Z1269190773 [1,0,0,1,0,0|1,1,0]=4 798 B13R2.3 C1=CC=C(C=C1)C2=NCCCN2 Z57932430 [1,0,0,1,0,0|2,0,0]=4 799 B13R2.3 C1=CC=C(C=C1)C2COCCN2 Z1097086259 [1,0,0,1,0,0|1,0,1]=4 800 B13R2.10 OC1CNC(C1)C2=CC=CC=C2 Z2298064173 [1,0,0,1,0,0|1,0,1]=4 801 B13R2.371 CC1CCC(=O)C2=C1C=CC=C2 Z1255449974 [1,0,0,1,0,0|2,0,0]=4 802 B13R2.371 NC1CCC(=O)C2=C1C=CC=C2 Z1443588580 [1,0,0,1,0,0|2,0,0]=4 803 B13R2.371 O=C1NC=C(C2=C1C=CC=C2)O Z276119362 [1,0,0,1,0,0|0,0,2]=4 804 B13R2.690 O=C(CC1CC1)C2=CC=CC=C2 Z826523958 [1,0,0,1,0,0|2,0,0]=4 805 B13R2.690 O=C(NC1CC1)C2=NC=CC=C2 Z32367684 [1,0,0,1,0,0|2,0,0]=4 806 B13R2.2931 NCC1NC(=O)C2=C1C=CC=C2 Z3327074187 [1,0,0,1,0,0|1,0,0]=3 807 B13R2.2931 O=C1N/C(=N/O)/C2=C1C=CC=C2 Z2418414106 [1,0,0,1,0,0|1,0,1]=4 808 B13R2.5252 C=C1CCCOC2=C1C=CC=C2 Z1097113969 [1,0,0,1,0,0|2,0,0]=4 809 B13R2.5252 O=C1CCCCC2=C1C=CC=C2 Z56922160 [1,0,0,1,0,0|2,0,0]=4 810 B13R2.5252 O=C1CCCOC2=C1C=CC=C2 Z382721394 [1,0,0,1,0,0|1,0,0]=3 811 B13R2.5252 O=C1CCCSC2=C1C=CC=C2 Z384973676 [1,0,0,1,0,0|1,1,0]=4 812 B13R2.5252 O=C1NCC=NC2=C1C=CC=C2 Z1198311535 [1,0,0,1,0,0|1,0,1]=4 813 B13R2.5252 O=C1NCCCC2=C1C=CC=C2 Z1201622867 [1,0,0,1,0,0|1,0,0]=3 814 B13R2.5252 O=C1NCCOC2=C1C=CC=C2 Z234898083 [1,0,0,1,0,0|0,0,0]=2 815 B13R2.5252 O=C1NCCSC2=C1C=CC=C2 Z1255372525 [1,0,0,1,0,0|0,1,0]=3 816 B13R2.8137 O=C(C1=CC=NC=C1)N2CCC2 Z102876376 [1,0,0,1,0,0|2,0,0]=4 817 B13R2.8137 O=C(C1=CN=CC=C1)N2CCC2 Z102876378 [1,0,0,1,0,0|2,0,0]=4 818 B13R2.2975 O=C(NC1CC1)C2=CC=C(O2)Cl Z79587780 [0,0,0,1,1,0|2,0,0]=4 819 B13R2.2975 O=C(NC1CC1)C2=CC=C(S2)Cl Z32367884 [0,0,0,1,1,0|2,0,0]=4 820 B15R2.308 O=C1NCCNC1C2=CC=C(C=C2)Br Z978934970 [0,0,0,1,0,1|1,1,0]=4 821 B15R2.308 O=C1NCCNC1C2=CC=C(C=C2)I Z2031672072 [0,0,0,1,0,1|1,1,0]=4 822 B15R2.1546 CC1CC1C(=O)NC2=CC=C(C=C2)Cl Z28161922 [0,0,0,1,0,1|2,0,0]=4 823 B15R2.18927 CC1=CC=C(C=C1)CC(=O)NC2CC2 Z100741314 [0,0,0,1,0,1|2,0,0]=4 824 B15R2.18927 CC1=CC=C(C=C1)NC(=O)NC2CC2 Z44603222 [0,0,0,1,0,1|2,0,0]=4 825 B15R2.18927 NC1=CC=C(C=C1)NC(=O)NC2CC2 Z275032062 [0,0,0,1,0,1|2,0,0]=4 826 B15R2.18927 O=C(CC1=CC=C(C=C1)Br)NC2CC2 Z30841186 [0,0,0,1,0,1|1,1,0]=4 827 B15R2.18927 O=C(CC1=CC=C(C=C1)Cl)NC2CC2 Z32367981 [0,0,0,1,0,1|1,0,0]=3 828 B15R2.18927 O=C(CC1=CC=C(C=C1)F)NC2CC2 Z32368059 [0,0,0,1,0,1|1,1,0]=4 829 B15R2.18927 O=C(NC1=CC=C(C=C1)F)NC2CC2 Z44603210 [0,0,0,1,0,1|1,1,0]=4 830 B15R2.19022 O=C(CC1=CC=C(C=C1)F)N2CCC2 Z69031721 [0,0,0,1,0,1|1,1,0]=4 831 B15R2.19022 O=C(NC1=CC=C(C=C1)Cl)C2CCC2 Z28161859 [0,0,0,1,0,1|2,0,0]=4 832 B15R2.275 OCC1=CNC(=N1)C2=CC=C(C=C2)Cl Z1094714428 [0,1,0,1,0,0|1,0,1]=4 833 B15R2.2708 O=C1NC(=NC2=C1C=CC(=C2)Cl)CCl Z56943792 [0,1,0,1,0,0|1,0,1]=4 834 B15R2.7182 CC1CNC2=C(C=CC(=C2)F)C(=O)N1 Z1558280553 [0,1,0,1,0,0|1,1,0]=4 835 B15R2.18979 O=C(NC1CCC1)C2=CN=C(C=C2)Cl Z979784184 [0,1,0,1,0,0|2,0,0]=4 836 B15R2.18979 O=C(NC1COC1)C2=NC=C(C=C2)Cl Z1380971352 [0,1,0,1,0,0|1,0,0]=3 837 B15R2.91 CC1=CC=C(C=C1)C(=O)N2CCSC2 Z1127208023 [0,1,0,1,0,0|1,1,0]=4 838 B15R2.91 NC1=CC=C(C=C1)C(=O)N2CCCC2 Z239124088 [0,1,0,1,0,0|2,0,0]=4 839 B15R2.91 O=C(C1=CC=C(C=C1)Br)C2CCCO2 Z385417596 [0,1,0,1,0,0|1,1,0]=4 840 B15R2.91 O=C(C1=CC=C(C=C1)Br)N2CCCC2 Z27753723 [0,1,0,1,0,0|1,1,0]=4 841 B15R2.91 O=C(C1=CC=C(C=C1)Cl)C2CCCC2 Z385417354 [0,1,0,1,0,0|2,0,0]=4 842 B15R2.91 O=C(C1=CC=C(C=C1)Cl)N2CCCC2 Z31480230 [0,1,0,1,0,0|1,0,0]=3 843 B15R2.91 O=C(C1=CC=C(C=C1)F)N2CCCC2 Z31480227 [0,1,0,1,0,0|1,1,0]=4 844 B15R2.91 O=C(C1=CC=C(C=C1)I)C2CCCO2 Z385416520 [0,1,0,1,0,0|1,1,0]=4 845 B15R2.91 O=C(C1=CC=C(C=C1)O)C2CCCN2 Z4320607413 [0,1,0,1,0,0|2,0,0]=4 846 B15R2.91 O=C(C1=CC=C(C=C1)O)N2CCCC2 Z68129365 [0,1,0,1,0,0|2,0,0]=4 847 B15R2.91 O=C(C1=CN=C(C=C1)Cl)N2CCCC2 Z31480422 [0,1,0,1,0,0|2,0,0]=4 848 B15R2.6983 CC1=CC=C(C=C1)C(=O)NCC2CC2 Z275845352 [0,1,0,1,0,0|2,0,0]=4 849 B15R2.6983 NC1=CC=C(C=C1)C(=O)NCC2CC2 Z239125414 [0,1,0,1,0,0|2,0,0]=4 850 B15R2.6983 O=C(NCC1CC1)C2=CC=C(C=C2)Br Z288770974 [0,1,0,1,0,0|1,1,0]=4 851 B15R2.6983 O=C(NCC1CC1)C2=CC=C(C=C2)Cl Z275845242 [0,1,0,1,0,0|1,0,0]=3 852 B15R2.6983 O=C(NCC1CC1)C2=CC=C(C=C2)F Z275845234 [0,1,0,1,0,0|1,1,0]=4 853 B15R2.6983 O=C(NCC1CC1)C2=CN=C(C=C2)Cl Z275845470 [0,1,0,1,0,0|2,0,0]=4 854 B15R2.1527 CN(C(=O)C1=CN=C(C=C1)Cl)C2CC2 Z409099182 [0,1,0,1,0,0|2,0,0]=4 855 B15R2.18962 NC1(CCC1)C(=O)C2=CC=C(C=C2)Cl Z3244519262 [0,1,0,1,0,0|2,0,0]=4 856 B15R2.447 COC1=CC=C(C=C1)C(=O)NC2CC2 Z32367796 [0,1,0,1,0,0|2,0,0]=4 857 B15R2.447 CSC1=CC=C(C=C1)C(=O)NC2CC2 Z52020671 [0,1,0,1,0,0|2,0,0]=4 858 B15R2.447 N#CC1=CC=C(C=C1)C(=O)NC2CC2 Z32367959 [0,1,0,1,0,0|2,0,0]=4 859 B15R2.447 NCC1=CC=C(C=C1)C(=O)NC2CC2 Z823287460 [0,1,0,1,0,0|2,0,0]=4 860 B15R2.447 O=CC1=CC=C(C=C1)C(=O)NC2CC2 Z235361327 [0,1,0,1,0,0|2,0,0]=4 861 B15R2.7890 COC1=CC=C(C=C1)C(=O)N2CCC2 Z102876386 [0,1,0,1,0,0|2,0,0]=4 862 B15R2.7890 N#CC1=CC=C(C=C1)C(=O)N2CCC2 Z69031740 [0,1,0,1,0,0|2,0,0]=4 863 B15R2.22338 COC1=CC2=C(C=C1)C(=O)CCCO2 Z1251356564 [0,1,0,1,0,0|2,0,0]=4 864 B15R2.22338 COC1=CC2=C(C=C1)C(=O)NCCO2 Z1504680914 [0,1,0,1,0,0|1,0,0]=3 865 B15R2.15102 CC1=C(C2=C(C=C1)C(=O)CCCO2)C Z384973042 [0,1,0,1,0,0|2,0,0]=4 866 B15R2.15102 O=C1CCCOC2=C1C=CC(=C2Cl)Cl Z384972990 [0,1,0,1,0,0|1,0,0]=3 867 B15R2.15102 O=C1NCCOC2=C(C(=CC=C12)Br)F Z2940294467 [0,1,0,1,0,0|0,1,0]=3 868 B15R2.18898 CC1=C(C=C(C=C1)C(=O)NC2CC2)F Z116525604 [0,1,0,1,0,0|2,0,0]=4 869 B15R2.18898 CC1=C(C=C(C=C1)C(=O)NC2CC2)N Z239124620 [0,1,0,1,0,0|2,0,0]=4 870 B15R2.18898 CC1=C(C=CC(=C1)C(=O)NC2CC2)I Z1118969701 [0,1,0,1,0,0|1,1,0]=4 871 B15R2.18898 O=C(NC1CC1)C2=CC(=C(C=C2)Cl)Br Z1505719480 [0,1,0,1,0,0|1,0,0]=3 872 B15R2.18898 O=C(NC1CC1)C2=CC(=C(C=C2)O)Cl Z68307268 [0,1,0,1,0,0|2,0,0]=4 873 B15R2.19038 CC1=C(C=C(C=C1)C(=O)N2CCC2)F Z117073070 [0,1,0,1,0,0|2,0,0]=4 874 B15R2.19038 CC1=C(C=CC(=C1)C(=O)N2CCC2)Cl Z1413828475 [0,1,0,1,0,0|1,0,0]=3 875 B15R2.19038 O=C(C1=CC(=C(C=C1)Cl)Br)N2CCC2 Z1505730517 [0,1,0,1,0,0|1,0,0]=3 876 B15R2.19038 O=C(C1=CC(=C(C=C1)O)Cl)N2CCC2 Z69032471 [0,1,0,1,0,0|2,0,0]=4 877 B15R2.64537 CC1=C(C=C2C(=O)CCCOC2=C1)C Z384973030 [0,1,0,1,0,0|2,0,0]=4 878 B15R2.64537 O=C1NCCNC2=CC(=C(C=C12)F)F Z1592159944 [0,1,0,1,0,0|1,1,0]=4 879 B15R2.64537 O=C1NCCOC2=CC(=C(C=C12)Br)F Z1661213745 [0,1,0,1,0,0|0,1,0]=3 880 B15R2.7543 CC1=CC(=C(C=C1)C(=O)NC2CC2)C Z32368101 [0,1,0,1,0,0|2,0,0]=4 881 B15R2.7543 CC1=CC(=C(C=C1)C(=O)NC2CC2)O Z68307252 [0,1,0,1,0,0|2,0,0]=4 882 B15R2.7543 NC1=CC(=C(C=C1)C(=O)NC2CC2)Cl Z239124602 [0,1,0,1,0,0|2,0,0]=4 883 B15R2.7543 O=C(NC1CC1)C2=C(C=C(C=C2)Br)F Z108823762 [0,1,0,1,0,0|1,1,0]=4 884 B15R2.7543 O=C(NC1CC1)C2=C(C=C(C=C2)Cl)Cl Z32367800 [0,1,0,1,0,0|1,0,0]=3 885 B15R2.7543 O=C(NC1CC1)C2=C(C=C(C=C2)Cl)F Z108823936 [0,1,0,1,0,0|1,0,0]=3 886 B15R2.7543 O=C(NC1CC1)C2=C(C=C(C=C2)Cl)O Z183415760 [0,1,0,1,0,0|1,0,0]=3 887 B15R2.7543 O=C(NC1CC1)C2=C(C=C(C=C2)F)Cl Z32368263 [0,1,0,1,0,0|1,1,0]=4 888 B15R2.64545 CC1=CC2=C(C(=O)CCCO2)C(=C1)C Z384972986 [0,1,0,1,0,0|2,0,0]=4 889 B15R2.64545 O=C1CCCOC2=C1C(=CC(=C2)F)F Z1013753298 [0,1,0,1,0,0|1,1,0]=4 890 B15R2.64545 O=C1NCCOC2=CC(=CC(=C12)F)Br Z2737406484 [0,1,0,1,0,0|0,1,0]=3 891 B15R2.65869 CC1=CC(=C(C=C1)C(=O)N2CCC2)C Z69031762 [0,1,0,1,0,0|2,0,0]=4 892 B15R2.65869 CC1=CC(=C(C=C1)C(=O)N2CCC2)O Z69032455 [0,1,0,1,0,0|2,0,0]=4 893 B15R2.65869 O=C(C1=C(C=C(C=C1)Cl)Br)N2CCC2 Z1419111561 [0,1,0,1,0,0|1,0,0]=3 894 B11R1.15 CCNC(=O)C1=CC(=CN1)Br Z183864280 [1,0,0,0,1,0|1,1,0]=4 895 B11R1.15 CCNC(=O)C1=CC=C(O1)Br Z32024589 [1,0,0,0,1,0|1,1,0]=4 896 B11R1.15 CCNC(=O)C1=CC=C(S1)C Z32024412 [1,0,0,0,1,0|2,0,0]=4 897 B11R1.15 CCNC(=O)C1=CC=C(S1)Cl Z32024516 [1,0,0,0,1,0|1,0,0]=3 898 B11R1.15 CCNC(=O)C1=CSC(=C1)I Z1151267912 [1,0,0,0,1,0|1,1,0]=4 899 B11R1.15 CCOC(=O)C1=CC=C(O1)Cl Z292566016 [1,0,0,0,1,0|2,0,0]=4 900 B11R1.15 CONC(=O)C1=CC=C(O1)Cl Z193293510 [1,0,0,0,1,0|2,0,0]=4 901 B11R1.15 CONC(=O)C1=CC=C(S1)Cl Z247486298 [1,0,0,0,1,0|2,0,0]=4 902 B11R1.29 CCCNC(=O)C1=CC=CO1 Z33030415 [1,0,0,0,1,0|2,0,0]=4 903 B11R1.29 CCCNC(=O)C1=CC=CS1 Z33030702 [1,0,0,0,1,0|2,0,0]=4 904 B11R1.29 CCCNC(=O)C1=COC=C1 Z166866462 [1,0,0,0,1,0|2,0,0]=4 905 B11R1.29 NCCNC(=O)C1=CC=CO1 Z235361371 [1,0,0,0,1,0|2,0,0]=4 906 B11R1.29 NCCNC(=O)C1=CC=CS1 Z259720766 [1,0,0,0,1,0|2,0,0]=4 907 B11R1.29 NCCNC(=O)C1=COC=C1 Z815264142 [1,0,0,0,1,0|2,0,0]=4 908 B11R1.29 O=C(NCCO)C1=CN=CN1 Z1268706049 [1,0,0,0,1,0|2,0,0]=4 909 B11R1.29 O=C(NCCO)C1=NNC=C1 Z425737482 [1,0,0,0,1,0|2,0,0]=4 910 B13R1.44 C#CCNC(=O)NC1=CC=CC=C1 Z105755866 [1,0,0,0,0,1|1,0,1]=4 911 B13R1.44 C=CCNC(=O)NC1=CC=CC=C1 Z55295481 [1,0,0,0,0,1|1,0,1]=4 912 B13R1.44 CCCNC(=O)NC1=CC=CC=C1 Z44586337 [1,0,0,0,0,1|1,0,0]=3 913 B13R1.44 NCCCC(=O)NC1=CC=CC=C1 Z1449746694 [1,0,0,0,0,1|2,0,0]=4 914 B13R1.44 NCCNC(=O)CC1=CC=CC=C1 Z285226374 [1,0,0,0,0,1|1,0,0]=3 915 B13R1.44 NCCNC(=S)NC1=CC=CC=C1 Z56814594 [1,0,0,0,0,1|1,1,0]=4 916 B13R1.44 O=C(NCCO)OC1=CC=CC=C1 Z31725824 [1,0,0,0,0,1|0,0,0]=2 917 B15R1.139 C#CCNC(=O)COC1=CC=C(C=C1)Cl Z52404306 [0,0,0,0,0,2|1,0,1]=4 918 B15R1.139 C#CCNC(=O)NCC1=CC=C(C=C1)Cl Z211756778 [0,0,0,0,0,2|1,0,1]=4 919 B15R1.139 CC1=CC=C(C=C1)CCC(=O)NCCO Z194856678 [0,0,0,0,0,2|1,0,0]=3 920 B15R1.139 CC1=CC=C(C=C1)CNC(=O)NCCO Z299658950 [0,0,0,0,0,2|1,0,0]=3 921 B15R1.139 CCCNC(=O)/C=C/C1=CC=C(C=C1)F Z33030769 [0,0,0,0,0,2|1,1,0]=4 922 B15R1.139 CCCNC(=O)CCC1=CC=C(C=C1)C Z192605382 [0,0,0,0,0,2|2,0,0]=4 923 B15R1.139 CCCNC(=O)CSC1=CC=C(C=C1)F Z16034325 [0,0,0,0,0,2|1,1,0]=4 924 B15R1.139 CCCNC(=O)CSC1=CC=C(C=C1)O Z733875534 [0,0,0,0,0,2|2,0,0]=4 925 B15R1.139 CCCNC(=O)NCC1=CC=C(C=C1)C Z44616613 [0,0,0,0,0,2|2,0,0]=4 926 B15R1.139 CCCNC(=O)NCC1=CC=C(C=C1)Cl Z44585257 [0,0,0,0,0,2|1,0,0]=3 927 B15R1.139 CCCNC(=O)NNC1=CC=C(C=C1)F Z44603545 [0,0,0,0,0,2|1,1,0]=4 928 B15R1.139 CCCNC(=S)NCC1=CC=C(C=C1)Cl Z45793356 [0,0,0,0,0,2|1,1,0]=4 929 B15R1.139 CCONC(=O)CCC1=CC=C(C=C1)Cl Z281502332 [0,0,0,0,0,2|2,0,0]=4