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B13R1.42 CSCC(=O)NCC1=CN=CC=C1 Z30172185 [0,0,0,0,0,0|3,0,0]=3 16 B13R1.42 N#CCC(=O)CCC1=CC=CC=C1 Z360167300 [0,0,0,0,0,0|2,0,1]=3 17 B13R1.42 N#CCC(=O)NCC1=CC=CC=C1 Z56809221 [0,0,0,0,0,0|1,0,1]=2 18 B13R1.42 NCCC(=O)NCC1=CC=CC=C1 Z285214492 [0,0,0,0,0,0|1,0,0]=1 19 B13R1.42 NCCC(=O)NCC1=CC=NC=C1 Z359354526 [0,0,0,0,0,0|2,0,0]=2 20 B13R1.42 NCCC(=O)NCC1=CN=CC=C1 Z803145540 [0,0,0,0,0,0|2,0,0]=2 21 B13R1.42 NCCC(=O)NCC1=NC=CC=C1 Z1455721115 [0,0,0,0,0,0|2,0,0]=2 22 B13R1.42 NCCC(=O)OCC1=CC=CC=C1 Z1436181402 [0,0,0,0,0,0|2,0,0]=2 23 B13R1.42 NCCC(O)CCC1=CC=CC=C1 Z1255452410 [0,0,0,0,0,0|2,0,2]=4 24 B12R1.8 CCCNCCC1=CC=CC=C1 Z90518163 [1,0,0,0,0,0|3,0,0]=4 25 B12R1.8 CNCCNCC1=CC=CC=C1 Z425484772 [1,0,0,0,0,0|2,0,1]=4 26 B12R1.8 COCCNCC1=CC=CC=C1 Z56945503 [1,0,0,0,0,0|2,0,1]=4 27 B12R1.8 NCCCCCC1=CC=CC=C1 Z820118542 [1,0,0,0,0,0|2,0,1]=4 28 B12R1.8 NCCCOCC1=CC=CC=C1 Z104377938 [1,0,0,0,0,0|2,0,1]=4 29 B12R1.8 NCCOCCC1=CC=CC=C1 Z1270210787 [1,0,0,0,0,0|3,0,0]=4 30 B12R1.8 OCCCNCC1=CC=CC=C1 Z57079457 [1,0,0,0,0,0|1,0,1]=3 31 B12R1.8 OCCCNCC1=CC=NC=C1 Z57455339 [1,0,0,0,0,0|2,0,1]=4 32 B12R1.8 OCCCNCC1=CN=CC=C1 Z57244080 [1,0,0,0,0,0|2,0,1]=4 33 B12R1.8 OCCCOCC1=CC=CC=C1 Z1080358454 [1,0,0,0,0,0|2,0,1]=4 34 B12R1.8 OCCCSCC1=CC=CC=C1 Z104944808 [1,0,0,0,0,0|2,0,1]=4 35 B12R1.8 OCCNCCC1=CC=CC=C1 Z90504498 [1,0,0,0,0,0|3,0,0]=4 36 B12R1.27 C#CC(=O)CCC1=CC=CC=C1 Z1266856412 [1,0,0,0,0,0|1,0,2]=4 37 B12R1.27 C#CC(=O)NCC1=CC=CC=C1 Z1509142729 [1,0,0,0,0,0|0,0,2]=3 38 B12R1.27 C#CC(=O)OCC1=CC=CC=C1 Z1255365960 [1,0,0,0,0,0|1,0,2]=4 39 B12R1.27 C/N=C(\N)/NCC1=CN=CC=C1 Z1090000620 [1,0,0,0,0,0|3,0,0]=4 40 B12R1.27 C=CC(=O)NCC1=CC=CC=C1 Z56757233 [1,0,0,0,0,0|0,0,2]=3 41 B12R1.27 CCC(C)NCC1=CC=CC=C1 Z57981002 [1,0,0,0,0,0|1,0,1]=3 42 B12R1.27 CCC(N)CCC1=CC=CC=C1 Z406453862 [1,0,0,0,0,0|2,0,1]=4 43 B12R1.27 CNC(=O)CCC1=CC=CC=C1 Z32016418 [1,0,0,0,0,0|2,0,0]=3 44 B12R1.27 CNC(=O)COC1=CC=CC=C1 Z19735428 [1,0,0,0,0,0|3,0,0]=4 45 B12R1.27 CNC(=O)CSC1=CC=CC=C1 Z19750829 [1,0,0,0,0,0|3,0,0]=4 46 B12R1.27 CNC(=O)NCC1=NN=CC=C1 Z1881574487 [1,0,0,0,0,0|3,0,0]=4 47 B12R1.27 CNC(=O)OCC1=CC=CC=C1 Z32016983 [1,0,0,0,0,0|2,0,0]=3 48 B12R1.27 COC(=O)/C=C/C1=CC=CC=C1 Z19782655 [1,0,0,0,0,0|2,0,1]=4 49 B12R1.27 COC(=O)CCC1=CC=CC=C1 Z18264384 [1,0,0,0,0,0|2,0,0]=3 50 B12R1.27 COC(=O)CCC1=CC=NC=C1 Z1198171999 [1,0,0,0,0,0|3,0,0]=4 51 B12R1.27 COC(=O)CCC1=CN=CC=C1 Z1069406844 [1,0,0,0,0,0|3,0,0]=4 52 B12R1.27 COC(=O)CNC1=CC=CC=C1 Z1250132387 [1,0,0,0,0,0|3,0,0]=4 53 B12R1.27 COC(=O)NNC1=CC=CC=C1 Z56755853 [1,0,0,0,0,0|2,0,0]=3 54 B12R1.27 C[C@H](CO)NCC1=CC=CC=C1 Z823499606 [1,0,0,0,0,0|2,0,1]=4 55 B12R1.27 NCC(=O)CCC1=CC=CC=C1 Z3719299469 [1,0,0,0,0,0|2,0,0]=3 56 B12R1.27 NCC(=O)NCC1=CC=CC=C1 Z398557160 [1,0,0,0,0,0|1,0,0]=2 57 B12R1.27 NCC(=O)NCC1=CC=NC=C1 Z1262246178 [1,0,0,0,0,0|2,0,0]=3 58 B12R1.27 NCC(=O)OCC1=CC=CC=C1 Z56904671 [1,0,0,0,0,0|2,0,0]=3 59 B12R1.27 NNC(=S)NCC1=CC=CC=C1 Z56828396 [1,0,0,0,0,0|2,1,0]=4 60 B12R1.27 O=C(CCl)CCC1=CC=CC=C1 Z1255432257 [1,0,0,0,0,0|1,0,0]=2 61 B12R1.27 O=C(CCl)COC1=CC=CC=C1 Z1255416714 [1,0,0,0,0,0|2,0,0]=3 62 B12R1.27 O=C(CCl)NCC1=CC=CC=C1 Z56896328 [1,0,0,0,0,0|0,0,0]=1 63 B12R1.27 O=C(CCl)NCC1=CN=CC=C1 Z1787158603 [1,0,0,0,0,0|1,0,0]=2 64 B12R1.27 O=C(CCl)NCC1=NC=CC=C1 Z1954802789 [1,0,0,0,0,0|1,0,0]=2 65 B12R1.27 O=C(CCl)NCC1=NC=CN=C1 Z1262483696 [1,0,0,0,0,0|2,0,0]=3 66 B12R1.27 O=C(CCl)NNC1=NC=CC=C1 Z104511140 [1,0,0,0,0,0|2,0,0]=3 67 B12R1.27 O=C(CO)NCC1=CC=CC=C1 Z228585446 [1,0,0,0,0,0|1,0,0]=2 68 B14R1.29 CC(NC(=O)CC#N)C1=CC=CC=C1 Z56812708 [0,1,0,0,0,0|1,0,1]=3 69 B14R1.29 CC(NC(=O)CCCl)C1=CC=CC=C1 Z217707120 [0,1,0,0,0,0|0,0,0]=1 70 B14R1.29 CCCC(=O)NC(C)C1=CC=CC=C1 Z31450109 [0,1,0,0,0,0|1,0,0]=2 71 B14R1.29 CCOC(=O)CC(N)C1=CC=CC=C1 Z1259340983 [0,1,0,0,0,0|3,0,0]=4 72 B14R1.29 CCOC(=O)CC(O)C1=CC=CC=C1 Z982131446 [0,1,0,0,0,0|3,0,0]=4 73 B14R1.29 CCOC(=O)C[C@@H](N)C1=CC=CC=C1 Z1413780466 [0,1,0,0,0,0|3,0,0]=4 74 B14R1.29 CCOC(=O)C[C@H](N)C1=CC=CC=C1 Z1416200903 [0,1,0,0,0,0|3,0,0]=4 75 B14R1.29 CCOC(=O)C[C@H](O)C1=CC=CC=C1 Z1255372825 [0,1,0,0,0,0|3,0,0]=4 76 B14R1.29 COCC(=O)NC(C)C1=CC=CC=C1 Z31450426 [0,1,0,0,0,0|2,0,0]=3 77 B14R1.29 COCC(=O)NC(C)C1=CN=CC=C1 Z220997524 [0,1,0,0,0,0|3,0,0]=4 78 B14R1.29 CSCC(=O)NC(C)C1=CC=CC=C1 Z31449316 [0,1,0,0,0,0|2,0,0]=3 79 B14R1.32 CCCC(C)NCC1=CC(=CC=C1)O Z86145734 [0,1,0,0,0,0|2,0,1]=4 80 B14R1.32 CCNC(=O)NCC1=CC(=CC=C1)Br Z642328022 [0,1,0,0,0,0|2,0,0]=3 81 B14R1.32 CCNC(=O)NCC1=CC(=CC=C1)Cl Z44603123 [0,1,0,0,0,0|2,0,0]=3 82 B14R1.32 CCNC(=O)NCC1=CC(=CN=C1)Br Z2677533297 [0,1,0,0,0,0|3,0,0]=4 83 B14R1.32 CCNC(=O)NCC1=NC=CC(=C1)Cl Z1591030106 [0,1,0,0,0,0|3,0,0]=4 84 B14R1.32 CCOC(=O)CCC1=CC(=CC=C1)C Z293141262 [0,1,0,0,0,0|3,0,0]=4 85 B14R1.32 COCC(=O)NCC1=CC(=CC=C1)Br Z337901336 [0,1,0,0,0,0|2,0,0]=3 86 B14R1.32 COCC(=O)NCC1=CC(=CC=C1)C Z312466124 [0,1,0,0,0,0|2,0,0]=3 87 B14R1.32 COCC(=O)NNC1=CC(=CC=C1)Cl Z258934230 [0,1,0,0,0,0|3,0,0]=4 88 B14R1.32 CSCC(=O)NCC1=CC(=CC=C1)C Z314423678 [0,1,0,0,0,0|2,0,0]=3 89 B14R1.32 N#CCC(=O)NCC1=CC=CC(=C1)F Z362629728 [0,1,0,0,0,0|1,0,1]=3 90 B14R1.60 CC(CCN)N(C)CC1=CC=CC=C1 Z802903566 [0,1,0,0,0,0|2,0,1]=4 91 B14R1.60 CCOC(=O)C(N)CC1=CC=CC=C1 Z223645256 [0,1,0,0,0,0|3,0,0]=4 92 B14R1.60 CCOC(=O)C(O)CC1=CC=CC=C1 Z965048074 [0,1,0,0,0,0|3,0,0]=4 93 B14R1.60 CSCC(=O)N(C)CC1=CC=CC=C1 Z27744758 [0,1,0,0,0,0|2,0,0]=3 94 B14R1.156 C#CCNC(=O)CCC1=CC=CC=C1 Z52404020 [0,1,0,0,0,0|2,0,1]=4 95 B14R1.156 C#CCNC(=O)NCC1=CC=CC=C1 Z166726184 [0,1,0,0,0,0|1,0,1]=3 96 B14R1.156 C#CCNC(=O)OCC1=CC=CC=C1 Z193021306 [0,1,0,0,0,0|2,0,1]=4 97 B14R1.156 C=CCNC(=O)CCC1=CC=CC=C1 Z32064610 [0,1,0,0,0,0|2,0,1]=4 98 B14R1.156 CCCNC(=O)CSC1=CC=CC=C1 Z19750894 [0,1,0,0,0,0|3,0,0]=4 99 B14R1.156 CCONC(=O)CCC1=CC=CC=C1 Z281499448 [0,1,0,0,0,0|3,0,0]=4 100 B14R1.156 CCONC(=O)NCC1=CN=CC=C1 Z196069628 [0,1,0,0,0,0|3,0,0]=4 101 B14R1.156 CNCCC(=O)OCC1=CC=CC=C1 Z3210329196 [0,1,0,0,0,0|2,0,0]=3 102 B14R1.156 CSCCC(=O)NCC1=CC=NC=C1 Z30168308 [0,1,0,0,0,0|2,0,0]=3 103 B14R1.156 CSCCC(=O)NCC1=CN=CC=C1 Z30172636 [0,1,0,0,0,0|2,0,0]=3 104 B14R1.156 CSCCC(=O)NCC1=NC=CC=C1 Z30166091 [0,1,0,0,0,0|2,0,0]=3 105 B14R1.156 N#CCNC(=O)CCC1=CC=CC=C1 Z600498292 [0,1,0,0,0,0|2,0,1]=4 106 B14R1.156 N#CCNC(=O)OCC1=CC=CC=C1 Z1255386820 [0,1,0,0,0,0|2,0,1]=4 107 B14R1.156 NCCCC(=O)OCC1=CC=CC=C1 Z2943527868 [0,1,0,0,0,0|2,0,0]=3 108 B14R1.156 NCCNC(=O)COC1=CC=CC=C1 Z381061494 [0,1,0,0,0,0|3,0,0]=4 109 B14R1.156 NCCNC(=O)NCC1=NC=CC=C1 Z5409054586 [0,1,0,0,0,0|2,0,0]=3 110 B14R1.156 NCCNC(=O)OCC1=CC=CC=C1 Z1741979610 [0,1,0,0,0,0|2,0,0]=3 111 B14R1.156 O=C(/C=C/C1=CC=CC=C1)NCCO Z2681891576 [0,1,0,0,0,0|2,0,1]=4 112 B14R1.156 O=C(CCC1=CC=CC=C1)NCCO Z31725258 [0,1,0,0,0,0|2,0,0]=3 113 B14R1.156 O=C(CCCCl)NCC1=CN=CC=C1 Z56768436 [0,1,0,0,0,0|1,0,0]=2 114 B14R1.156 O=C(NCC1=CC=CC=C1)OCCO Z1198155419 [0,1,0,0,0,0|1,0,0]=2 115 B14R1.156 O=C(NCCO)OCC1=CC=CC=C1 Z31725823 [0,1,0,0,0,0|2,0,0]=3 116 B14R1.502 CC1=CC=C(C=C1)CNC(=O)CC#N Z275151924 [0,1,0,0,0,0|1,0,1]=3 117 B14R1.502 CCNC(=O)CCC1=CC=C(C=C1)O Z1634469457 [0,1,0,0,0,0|3,0,0]=4 118 B14R1.502 CCNC(=O)NCC1=CC=C(C=C1)C Z44616623 [0,1,0,0,0,0|2,0,0]=3 119 B14R1.502 CCNC(=O)NCC1=CC=C(C=C1)Cl Z44585267 [0,1,0,0,0,0|2,0,0]=3 120 B14R1.502 CCNC(=O)NCC1=CC=C(C=C1)N Z600392026 [0,1,0,0,0,0|2,0,0]=3 121 B14R1.502 CCOC(=O)CCC1=CC=C(C=C1)N Z1250132306 [0,1,0,0,0,0|3,0,0]=4 122 B14R1.502 COCC(=O)NCC1=CC=C(C=C1)C Z33297786 [0,1,0,0,0,0|2,0,0]=3 123 B14R1.502 COCC(=O)NCC1=CC=C(C=C1)Cl Z31452434 [0,1,0,0,0,0|2,0,0]=3 124 B14R1.502 COCC(=O)NCC1=CN=C(C=C1)C Z437519148 [0,1,0,0,0,0|3,0,0]=4 125 B14R1.502 CSCC(=O)NCC1=CC=C(C=C1)C Z28428678 [0,1,0,0,0,0|2,0,0]=3 126 B14R1.502 CSCC(=O)NCC1=CC=C(C=C1)F Z26779006 [0,1,0,0,0,0|2,0,0]=3 127 B14R1.502 N#CCC(=O)NCC1=CC=C(C=C1)Cl Z56809222 [0,1,0,0,0,0|1,0,1]=3 128 B14R1.598 CC1=C(C=CC=C1)CNC(=O)CC#N Z847150434 [0,1,0,0,0,0|1,0,1]=3 129 B14R1.598 CCCC(=O)NCC1=C(C=CC=C1)C Z52337357 [0,1,0,0,0,0|1,0,0]=2 130 B14R1.598 CCCC(=O)NCC1=C(C=CC=C1)F Z29857757 [0,1,0,0,0,0|1,0,0]=2 131 B14R1.598 CCCC(C)NCC1=C(C=CC=C1)O Z334892844 [0,1,0,0,0,0|2,0,1]=4 132 B14R1.598 CCNC(=O)CCC1=C(C=CC=C1)Br Z605597262 [0,1,0,0,0,0|3,0,0]=4 133 B14R1.598 CCNC(=O)NCC1=C(C=CC=C1)C Z53120536 [0,1,0,0,0,0|2,0,0]=3 134 B14R1.598 COCC(=O)NCC1=C(C=CC=C1)C Z52350958 [0,1,0,0,0,0|2,0,0]=3 135 B14R1.598 COCC(=O)NCC1=C(C=CC=C1)F Z33641154 [0,1,0,0,0,0|2,0,0]=3 136 B14R1.598 CSCC(=O)NCC1=C(C=CC=C1)F Z29857028 [0,1,0,0,0,0|2,0,0]=3 137 B14R1.598 N#CCC(=O)NCC1=C(C=CC=C1)Br Z818731186 [0,1,0,0,0,0|1,0,1]=3 138 B14R1.598 N#CCC(=O)NCC1=C(C=CC=C1)F Z316158148 [0,1,0,0,0,0|1,0,1]=3 139 B14R1.598 O=C(CCCl)NCC1=C(C=CC=C1)Cl Z217707170 [0,1,0,0,0,0|0,0,0]=1 140 B14R1.598 O=S(CCO)CCC1=C(C=CC=C1)Cl Z1614747993 [0,1,0,0,0,0|3,0,0]=4 141 B14R1.756 CCC(C)C(=O)NCC1=CC=NC=C1 Z237877922 [0,1,0,0,0,0|2,0,0]=3 142 B14R1.756 CCC(C)C(=O)OCC1=CC=CC=C1 Z237551464 [0,1,0,0,0,0|2,0,0]=3 143 B14R1.756 CCC(Cl)C(=O)NCC1=CC=CC=C1 Z169917708 [0,1,0,0,0,0|1,0,0]=2 144 B14R1.756 CSC(C)C(=O)NCC1=CC=NC=C1 Z406448886 [0,1,0,0,0,0|3,0,0]=4 145 B14R1.756 CSC(C)C(=O)NCC1=CN=CC=C1 Z406449038 [0,1,0,0,0,0|3,0,0]=4 146 B14R1.756 CSC(C)C(=O)NCC1=NC=CC=C1 Z406448808 [0,1,0,0,0,0|3,0,0]=4 147 B14R1.756 NC(CO)C(=O)OCC1=CC=CC=C1 Z2418413533 [0,1,0,0,0,0|2,0,0]=3 148 B14R1.818 CC(C)CC(=O)OCC1=CC=CC=C1 Z18259706 [0,1,0,0,0,0|2,0,0]=3 149 B14R1.818 NC(=S)CC(=O)NCC1=CC=CC=C1 Z56922197 [0,1,0,0,0,0|1,0,1]=3 150 B14R1.6829 NCCS(=O)(=O)NCC1=CC=CC=C1 Z425449850 [0,1,0,0,0,0|2,0,0]=3 151 B14R1.6829 O=S(=O)(CCO)NCC1=CC=CC=C1 Z1267897647 [0,1,0,0,0,0|2,0,0]=3 152 B14R2.21 CC1CCCC(N1)C2=CC=CC=C2 Z1198181090 [0,0,0,1,0,0|2,0,1]=4 153 B14R2.21 O=C1C=C(CCC1)C2=CC=CC=C2 Z1201617608 [0,0,0,1,0,0|2,0,1]=4 154 B14R2.21 O=C1CCCC(C1)C2=CC=CC=C2 Z1198152074 [0,0,0,1,0,0|2,0,0]=3 155 B14R2.21 O=C1CCCC(N1)C2=CC=CC=C2 Z1255365075 [0,0,0,1,0,0|1,0,0]=2 156 B14R2.21 O=C1CNCC(N1)C2=CC=CC=C2 Z2867580643 [0,0,0,1,0,0|2,0,0]=3 157 B14R2.21 O=C1COCC(N1)C2=CC=CC=C2 Z1255426729 [0,0,0,1,0,0|2,0,0]=3 158 B14R2.21 O=C1CSCC(N1)C2=CC=CC=C2 Z1509259667 [0,0,0,1,0,0|2,0,0]=3 159 B14R2.30 CC1=NCCN1CC2=CC=CC=C2 Z2732222644 [0,0,0,1,0,0|3,0,0]=4 160 B14R2.30 O=C1CC=NN1CC2=CC=CC=C2 Z1278926316 [0,0,0,1,0,0|1,0,1]=3 161 B14R2.30 O=C1CCCC1CC2=CC=CC=C2 Z813018324 [0,0,0,1,0,0|2,0,0]=3 162 B14R2.30 O=C1CNCN1CC2=CC=CC=C2 Z1551463562 [0,0,0,1,0,0|2,0,0]=3 163 B14R2.30 O=C1NCCC1CC2=CC=CC=C2 Z1255435851 [0,0,0,1,0,0|3,0,0]=4 164 B14R2.30 O=C1NCCN1CC2=CC=CC=C2 Z1201622519 [0,0,0,1,0,0|2,0,0]=3 165 B14R2.30 O=C1NCCN1CC2=CN=CC=C2 Z1491195659 [0,0,0,1,0,0|3,0,0]=4 166 B14R2.30 O=C\1CCC/C1=C/C2=CC=CC=C2 Z56782493 [0,0,0,1,0,0|2,0,1]=4 167 B14R2.101 C1=CC=C(C=C1)CNC2=NCCN2 Z1089994872 [0,0,0,1,0,0|3,0,0]=4 168 B14R2.101 C1=CC=C(C=C1)CNC2=NCCS2 Z56858227 [0,0,0,1,0,0|2,1,0]=4 169 B14R2.101 C1=CC=C(C=C1)CNC2CCCC2 Z90661352 [0,0,0,1,0,0|2,0,1]=4 170 B14R2.101 C1=CC=C(C=C1)CNC2CCNC2 Z1255502479 [0,0,0,1,0,0|2,0,1]=4 171 B14R2.101 C1=CC=C(C=C1)CNC2CCOC2 Z1124552713 [0,0,0,1,0,0|2,0,1]=4 172 B14R2.112 COCC1=NC2=C(C=CC=C2)CN1 Z1219048779 [0,0,0,1,0,0|3,0,0]=4 173 B14R2.112 OCCC1CC2=C(C=CC=C2)CN1 Z1262573037 [0,0,0,1,0,0|2,0,1]=4 174 B14R2.280 O=C1CCC2=C(C=CC=C2)CCN1 Z1255361336 [0,0,0,1,0,0|3,0,0]=4 175 B14R2.436 NC1CC(C1)NCC2=CC=CC=C2 Z1413694081 [0,0,0,1,0,0|2,0,1]=4 176 B14R2.598 O=C1CC(=O)N(N1)C2=CC=CC=C2 Z57475324 [0,0,0,1,0,0|2,0,1]=4 177 B14R2.598 O=C1NC(=O)C(N1)C2=CC=CC=C2 Z57474290 [0,0,0,1,0,0|2,0,1]=4 178 B14R2.2899 CC(NCC1=CC=CC=C1)C2CC2 Z56910424 [0,0,0,1,0,0|2,0,1]=4 179 B14R2.2899 O=C(NCC1=CC=CC=C1)C2CC2 Z27749554 [0,0,0,1,0,0|1,0,0]=2 180 B14R2.2899 O=C(NNC1=CC=CC=C1)C2CC2 Z27767779 [0,0,0,1,0,0|2,0,0]=3 181 B14R2.2899 O=C(NNC1=NC=CC=C1)C2CC2 Z1610538694 [0,0,0,1,0,0|3,0,0]=4 182 B14R2.33858 CCNC(=O)C1CC2=C1C=CC=C2 Z1250591407 [0,0,0,1,0,0|3,0,0]=4 183 B12R1.32 CC#CC(=O)NC1=CC=CC=C1 Z1509183430 [0,0,0,0,1,0|1,0,2]=4 184 B12R1.32 CCCC(=O)CC1=CC=CC=C1 Z513733628 [0,0,0,0,1,0|1,0,0]=2 185 B12R1.32 CCCC(C)NC1=CC=CC=C1 Z334878280 [0,0,0,0,1,0|2,0,1]=4 186 B12R1.32 CCCC(N)CC1=CC=CC=C1 Z513795750 [0,0,0,0,1,0|2,0,1]=4 187 B12R1.32 CCNC(=O)NC1=CC=CC=C1 Z44586347 [0,0,0,0,1,0|2,0,0]=3 188 B12R1.32 CCNC(=O)NC1=CN=CC=C1 Z44592359 [0,0,0,0,1,0|3,0,0]=4 189 B12R1.32 CCOC(=O)CC1=CN=CC=C1 Z982129808 [0,0,0,0,1,0|3,0,0]=4 190 B12R1.32 CCOC(=O)NC1=CN=CC=C1 Z31791377 [0,0,0,0,1,0|3,0,0]=4 191 B12R1.32 CN(CCN)CC1=CC=CC=C1 Z285207092 [0,0,0,0,1,0|3,0,0]=4 192 B12R1.32 CN(CCO)CC1=CC=CC=C1 Z137706074 [0,0,0,0,1,0|3,0,0]=4 193 B12R1.32 CNCC(=O)NC1=CC=CC=C1 Z380844554 [0,0,0,0,1,0|2,0,0]=3 194 B12R1.32 CNCC(=O)NC1=CC=NC=C1 Z1459449253 [0,0,0,0,1,0|3,0,0]=4 195 B12R1.32 COCC(=O)CC1=CC=CC=C1 Z447897954 [0,0,0,0,1,0|2,0,0]=3 196 B12R1.32 COCC(=O)NC1=CC=CC=C1 Z31504642 [0,0,0,0,1,0|2,0,0]=3 197 B12R1.32 CSCC(=O)NC1=CC=CC=C1 Z27781929 [0,0,0,0,1,0|2,0,0]=3 198 B12R1.32 CSCC(=O)NC1=CN=CC=C1 Z31790676 [0,0,0,0,1,0|3,0,0]=4 199 B12R1.32 N#CCC(=O)NC1=CC=CC=C1 Z56813510 [0,0,0,0,1,0|1,0,1]=3 200 B12R1.32 N#CCC(=O)NC1=NC=CC=C1 Z56886336 [0,0,0,0,1,0|2,0,1]=4 201 B12R1.32 NC(CCO)CC1=CC=CC=C1 Z1992316427 [0,0,0,0,1,0|2,0,1]=4 202 B12R1.32 NCCC(=O)NC1=CC=CC=C1 Z241054028 [0,0,0,0,1,0|1,0,0]=2 203 B12R1.32 NCCC(=O)NC1=CC=NC=C1 Z992716916 [0,0,0,0,1,0|2,0,0]=3 204 B12R1.32 NCCC(=O)NC1=CN=CC=C1 Z1101435045 [0,0,0,0,1,0|2,0,0]=3 205 B12R1.32 NCCC(=O)NC1=NC=CC=C1 Z398557256 [0,0,0,0,1,0|2,0,0]=3 206 B12R1.32 NCCS(=O)CC1=CC=CC=C1 Z802568488 [0,0,0,0,1,0|2,0,0]=3 207 B12R1.32 O=C(/C=N/O)NC1=CC=CC=C1 Z56871811 [0,0,0,0,1,0|2,0,1]=4 208 B12R1.32 O=C(CCCl)NC1=CC=CC=C1 Z217707130 [0,0,0,0,1,0|0,0,0]=1 209 B12R1.51 CCCC(=O)NCC1=CC=CS1 Z29693716 [0,0,0,0,1,0|2,0,0]=3 210 B12R1.51 CNCC(=O)NCC1=CC=CO1 Z90662238 [0,0,0,0,1,0|3,0,0]=4 211 B12R1.51 CNCC(=O)NCC1=CC=CS1 Z1184858179 [0,0,0,0,1,0|3,0,0]=4 212 B12R1.51 COCC(=O)NCC1=CC=CS1 Z33600994 [0,0,0,0,1,0|3,0,0]=4 213 B12R1.51 CSCC(=O)NCC1=CC=CO1 Z31407148 [0,0,0,0,1,0|3,0,0]=4 214 B12R1.51 N#CCC(=O)NCC1=CC=CO1 Z56896260 [0,0,0,0,1,0|2,0,1]=4 215 B14R1.520 CCCC(=O)N/N=C/C1=CC=CC=C1 Z56754459 [0,0,0,0,0,1|1,0,1]=3 216 B14R1.520 CCCC(=O)NCCC1=CC=CC=C1 Z27761591 [0,0,0,0,0,1|1,0,0]=2 217 B14R1.520 CCCC(=O)NCCC1=CC=NC=C1 Z1238609676 [0,0,0,0,0,1|2,0,0]=3 218 B14R1.520 CCCC(=O)NCCC1=CN=CN=C1 Z2719752131 [0,0,0,0,0,1|3,0,0]=4 219 B14R1.520 CCCC(=O)NOCC1=CC=CC=C1 Z101951210 [0,0,0,0,0,1|1,0,0]=2 220 B14R1.520 CCOC(=O)CNCC1=CC=CC=C1 Z266079588 [0,0,0,0,0,1|2,0,0]=3 221 B14R1.520 CCOC(=O)COCC1=CC=CC=C1 Z292402590 [0,0,0,0,0,1|3,0,0]=4 222 B14R1.520 CCOC(=O)NCCC1=CC=CC=C1 Z31486161 [0,0,0,0,0,1|2,0,0]=3 223 B14R1.520 COCC(=O)NCCC1=CC=CC=C1 Z31486570 [0,0,0,0,0,1|2,0,0]=3 224 B14R1.520 COCC(=O)NCCC1=CN=CC=C1 Z296586802 [0,0,0,0,0,1|3,0,0]=4 225 B14R1.520 COCC(=O)NCCC1=NC=CC=C1 Z32446394 [0,0,0,0,0,1|3,0,0]=4 226 B14R1.520 COCC(=O)NOCC1=CC=CC=C1 Z101951560 [0,0,0,0,0,1|2,0,0]=3 227 B14R1.520 CONC(=O)NCCC1=CC=CC=C1 Z332501710 [0,0,0,0,0,1|3,0,0]=4 228 B14R1.520 CSCC(=O)NCCC1=CC=CC=C1 Z27760862 [0,0,0,0,0,1|2,0,0]=3 229 B14R1.520 CSCC(=O)NCCC1=NC=CC=C1 Z32445284 [0,0,0,0,0,1|3,0,0]=4 230 B14R1.520 N#CCC(=O)NCCC1=CC=CC=C1 Z56820394 [0,0,0,0,0,1|1,0,1]=3 231 B14R1.520 O=C(CCCl)NCCC1=CC=CC=C1 Z240089880 [0,0,0,0,0,1|0,0,0]=1 232 B11R1.28 C#CCNCC1=CC=CC=C1 Z2082999436 [2,0,0,0,0,0|1,0,1]=4 233 B11R1.28 C=CCNCC1=CC=CC=C1 Z86135577 [2,0,0,0,0,0|1,0,1]=4 234 B11R1.28 CCCCCC1=CC=CC=C1 Z199507042 [2,0,0,0,0,0|1,0,1]=4 235 B11R1.28 CCCNCC1=CC=CC=C1 Z56946091 [2,0,0,0,0,0|0,0,1]=3 236 B11R1.28 CCCNCC1=CC=NC=C1 Z3247723488 [2,0,0,0,0,0|1,0,1]=4 237 B11R1.28 CCCNCC1=CN=CC=C1 Z3247723489 [2,0,0,0,0,0|1,0,1]=4 238 B11R1.28 CCCNCC1=NC=CC=C1 Z4401052052 [2,0,0,0,0,0|1,0,1]=4 239 B11R1.28 CCNCCC1=CC=CC=C1 Z444350074 [2,0,0,0,0,0|2,0,0]=4 240 B11R1.28 CCOCCC1=CC=CC=C1 Z1198150519 [2,0,0,0,0,0|2,0,0]=4 241 B11R1.28 ClCCCOC1=CC=CC=C1 Z275020186 [2,0,0,0,0,0|1,0,1]=4 242 B11R1.28 ClCCNCC1=CC=CC=C1 Z57158447 [2,0,0,0,0,0|0,0,0]=2 243 B11R1.28 N#CCNCC1=CC=CC=C1 Z266079624 [2,0,0,0,0,0|1,0,1]=4 244 B11R1.28 NCCCCC1=CC=CC=C1 Z2574929438 [2,0,0,0,0,0|1,0,1]=4 245 B11R1.28 NCCCNC1=CC=CC=C1 Z756919512 [2,0,0,0,0,0|1,0,1]=4 246 B11R1.28 NCCNCC1=NC=CC=C1 Z600492946 [2,0,0,0,0,0|2,0,0]=4 247 B11R1.28 NCCOCC1=CC=CC=C1 Z271005946 [2,0,0,0,0,0|2,0,0]=4 248 B11R1.28 OCCCNC1=CC=CC=C1 Z104584292 [2,0,0,0,0,0|1,0,1]=4 249 B11R1.28 OCCNCC1=CN=CC=C1 Z90504502 [2,0,0,0,0,0|2,0,0]=4 250 B11R1.28 OCCOCC1=CC=CC=C1 Z854223062 [2,0,0,0,0,0|2,0,0]=4 251 B11R1.91 CC(=O)/C=C/C1=CC=CC=C1 Z2582847786 [2,0,0,0,0,0|1,0,1]=4 252 B11R1.91 CC(=O)CSC1=CC=CC=C1 Z19751394 [2,0,0,0,0,0|2,0,0]=4 253 B11R1.91 CC(=O)NCC1=CC=CC=C1 Z27749489 [2,0,0,0,0,0|0,0,0]=2 254 B11R1.91 CC(=O)NCC1=NC=CC=C1 Z324553036 [2,0,0,0,0,0|1,0,0]=3 255 B11R1.91 CC(=O)NNC1=CC=CC=C1 Z27767717 [2,0,0,0,0,0|1,0,0]=3 256 B11R1.91 CC(=O)OCC1=CC=CC=C1 Z19628364 [2,0,0,0,0,0|1,0,0]=3 257 B11R1.91 NC(=O)CCC1=CC=CC=C1 Z33546514 [2,0,0,0,0,0|2,0,0]=4 258 B11R1.91 NC(=O)NCC1=CC=CC=C1 Z104476310 [2,0,0,0,0,0|1,0,0]=3 259 B11R1.91 NC(=O)NCC1=CC=NC=C1 Z198194796 [2,0,0,0,0,0|2,0,0]=4 260 B11R1.91 NC(=O)NCC1=CN=CC=C1 Z57664442 [2,0,0,0,0,0|2,0,0]=4 261 B11R1.91 NC(=O)NCC1=NC=CC=C1 Z198194794 [2,0,0,0,0,0|2,0,0]=4 262 B11R1.91 NC(=O)OCC1=CC=CC=C1 Z33547079 [2,0,0,0,0,0|2,0,0]=4 263 B11R1.91 NC(=S)NCC1=CC=CC=C1 Z56900892 [2,0,0,0,0,0|1,1,0]=4 264 B11R1.91 O=C(O)CCC1=CC=CC=C1 Z57127332 [2,0,0,0,0,0|2,0,0]=4 265 B13R1.6 OCCCNCC1=CC(=CC=C1)Cl Z1455950511 [1,1,0,0,0,0|1,0,1]=4 266 B13R1.24 CCCCNC(C)C1=CC=CC=C1 Z1250132346 [1,1,0,0,0,0|1,0,1]=4 267 B13R1.28 CCCCCNCC1=CC=CC=C1 Z4424628864 [1,1,0,0,0,0|1,0,1]=4 268 B13R1.28 COCCCNCC1=CC=CC=C1 Z1723483716 [1,1,0,0,0,0|1,0,1]=4 269 B13R1.28 OCCCCNCC1=CC=CC=C1 Z57203042 [1,1,0,0,0,0|1,0,1]=4 270 B13R1.44 CN(CCCN)CC1=CC=CC=C1 Z96092423 [1,1,0,0,0,0|1,0,1]=4 271 B13R1.44 CN(CCCO)CC1=CC=CC=C1 Z168889210 [1,1,0,0,0,0|1,0,1]=4 272 B13R1.555 CCCCNCC1=C(C=CC=C1)Cl Z86132035 [1,1,0,0,0,0|1,0,1]=4 273 B13R1.555 CCCCNCC1=C(C=CC=C1)F Z1695709425 [1,1,0,0,0,0|1,0,1]=4 274 B13R1.555 CCCCNCC1=C(C=CC=C1)O Z334909160 [1,1,0,0,0,0|1,0,1]=4 275 B13R1.718 CCC(O)CNCC1=CC=CC=C1 Z600449726 [1,1,0,0,0,0|1,0,1]=4 276 B13R1.11 C=CC(=O)N[C@@H](C)C1=CC=CC=C1 Z1165166436 [1,1,0,0,0,0|0,0,2]=4 277 B13R1.11 C=CC(=O)N[C@H](C)C1=CC=CC=C1 Z1165166451 [1,1,0,0,0,0|0,0,2]=4 278 B13R1.11 CC(NC(=O)CCl)C1=CC=CC=C1 Z56891403 [1,1,0,0,0,0|0,0,0]=2 279 B13R1.11 CC(NC(=O)CN)C1=NC=CC=C1 Z1459469943 [1,1,0,0,0,0|2,0,0]=4 280 B13R1.11 CCC(=O)CC(=O)C1=CC=CC=C1 Z359504792 [1,1,0,0,0,0|1,0,1]=4 281 B13R1.11 CCC(=O)NC(C)C1=CC=CC=C1 Z31450130 [1,1,0,0,0,0|0,0,0]=2 282 B13R1.11 CNC(=N)NC(C)C1=CC=CC=C1 Z1347691728 [1,1,0,0,0,0|2,0,0]=4 283 B13R1.11 COC(=O)CC(N)C1=CC=CC=C1 Z139720848 [1,1,0,0,0,0|2,0,0]=4 284 B13R1.11 C[C@@H](NC(=O)CCl)C1=CC=CC=C1 Z1165166439 [1,1,0,0,0,0|0,0,0]=2 285 B13R1.11 O=C(CCl)NC(=O)C1=CC=CC=C1 Z56907603 [1,1,0,0,0,0|0,0,1]=3 286 B13R1.14 C=CC(=O)NCC1=CC=C(C=C1)F Z440633684 [1,1,0,0,0,0|0,0,2]=4 287 B13R1.14 CC1=CC=C(C=C1)CNC(=O)CCl Z56886473 [1,1,0,0,0,0|0,0,0]=2 288 B13R1.14 CCC(=O)CCC1=CC=C(C=C1)Br Z406378158 [1,1,0,0,0,0|1,0,0]=3 289 B13R1.14 CCC(=O)CSC1=CC=C(C=C1)Cl Z916925670 [1,1,0,0,0,0|2,0,0]=4 290 B13R1.14 CNC(=O)CCC1=CC=C(C=C1)Br Z1336804093 [1,1,0,0,0,0|2,0,0]=4 291 B13R1.14 CNC(=O)CCC1=CC=C(C=C1)C Z192611328 [1,1,0,0,0,0|2,0,0]=4 292 B13R1.14 CNC(=O)CCC1=CC=C(C=C1)F Z135505342 [1,1,0,0,0,0|2,0,0]=4 293 B13R1.14 COC(=O)CCC1=CC=C(C=C1)N Z802847350 [1,1,0,0,0,0|2,0,0]=4 294 B13R1.14 COC(=O)CCC1=CC=C(C=C1)O Z796576156 [1,1,0,0,0,0|2,0,0]=4 295 B13R1.14 NCC(=O)NNC1=CC=C(C=C1)F Z1450029704 [1,1,0,0,0,0|2,0,0]=4 296 B13R1.14 O=C(CCl)COC1=CC=C(C=C1)Cl Z1269140193 [1,1,0,0,0,0|2,0,0]=4 297 B13R1.14 O=C(CCl)NCC1=CC=C(C=C1)Cl Z56896171 [1,1,0,0,0,0|0,0,0]=2 298 B13R1.14 O=C(CCl)NCC1=CC=C(C=C1)F Z56822453 [1,1,0,0,0,0|0,0,0]=2 299 B13R1.14 O=C(CO)NCC1=CC=C(C=C1)Cl Z199532110 [1,1,0,0,0,0|1,0,0]=3 300 B13R1.14 O=C(CO)NCC1=CC=C(C=C1)F Z431953222 [1,1,0,0,0,0|1,0,0]=3 301 B13R1.14 O=C1C=CC(=NN1)CNC(=O)CCl Z2238224036 [1,1,0,0,0,0|2,0,0]=4 302 B13R1.15 C/N=C(\N)/NCC1=CC(=CC=C1)Br Z1090034392 [1,1,0,0,0,0|2,0,0]=4 303 B13R1.15 CC1=CC(=CC=C1)CNC(=O)CCl Z600514202 [1,1,0,0,0,0|0,0,0]=2 304 B13R1.15 CNC(=O)NCC1=NC=CC(=C1)N Z2863952887 [1,1,0,0,0,0|2,0,0]=4 305 B13R1.15 COC(=O)CCC1=CC(=CC=C1)N Z1255441375 [1,1,0,0,0,0|2,0,0]=4 306 B13R1.15 COC(=O)NCC1=CC(=CC=C1)O Z728883650 [1,1,0,0,0,0|1,0,0]=3 307 B13R1.15 O=C(CCl)NCC1=CC(=CC=C1)Br Z381548074 [1,1,0,0,0,0|0,0,0]=2 308 B13R1.15 O=C(CCl)NCC1=CC(=CC=C1)Cl Z56346814 [1,1,0,0,0,0|0,0,0]=2 309 B13R1.15 O=C(CCl)NCC1=CC=CC(=C1)F Z362629546 [1,1,0,0,0,0|0,0,0]=2 310 B13R1.135 CN(CC1=CC=CC=C1)C(=O)CCl Z56862395 [1,1,0,0,0,0|0,0,0]=2 311 B13R1.135 CN(CC1=CC=CC=C1)C(=O)CN Z54748693 [1,1,0,0,0,0|1,0,0]=3 312 B13R1.135 CN(CC1=CC=NC=C1)C(=O)CCl Z4526004722 [1,1,0,0,0,0|1,0,0]=3 313 B13R1.135 CN(CC1=CC=NC=C1)C(=O)CN Z1101435053 [1,1,0,0,0,0|2,0,0]=4 314 B13R1.135 CN(CC1=CN=CC=C1)C(=O)CN Z1101435051 [1,1,0,0,0,0|2,0,0]=4 315 B13R1.135 CNC(=O)C(N)CC1=CC=CC=C1 Z1449756300 [1,1,0,0,0,0|2,0,0]=4 316 B13R1.135 CNC(=O)N(C)CC1=CC=CC=C1 Z177087670 [1,1,0,0,0,0|1,0,0]=3 317 B13R1.135 COC(=O)C(N)CC1=CC=CC=C1 Z56867313 [1,1,0,0,0,0|2,0,0]=4 318 B13R1.254 CCS(=O)(=O)NCC1=CN=CC=C1 Z53825214 [1,1,0,0,0,0|2,0,0]=4 319 B13R1.254 O=S(=O)(CBr)NCC1=CC=CC=C1 Z1269111608 [1,1,0,0,0,0|1,1,0]=4 320 B13R1.351 C=C(C)C(=O)NNC1=CC=CC=C1 Z56757944 [1,1,0,0,0,0|1,0,1]=4 321 B13R1.351 CC(C)C(=O)CCC1=CC=CC=C1 Z406378608 [1,1,0,0,0,0|1,0,0]=3 322 B13R1.351 CC(C)C(=O)NCC1=CN=CC=C1 Z30172905 [1,1,0,0,0,0|1,0,0]=3 323 B13R1.351 CC(Cl)C(=O)CCC1=CC=CC=C1 Z1262508267 [1,1,0,0,0,0|1,0,0]=3 324 B13R1.351 CC(Cl)C(=O)NCC1=CC=CC=C1 Z56914802 [1,1,0,0,0,0|0,0,0]=2 325 B13R1.351 CC(N)C(=O)NCC1=CC=CC=C1 Z234893901 [1,1,0,0,0,0|0,0,0]=2 326 B13R1.351 CC(N)C(=O)OCC1=CC=CC=C1 Z2472775311 [1,1,0,0,0,0|1,0,0]=3 327 B13R1.351 CC(O)C(=O)NCC1=CC=CC=C1 Z798740028 [1,1,0,0,0,0|0,0,0]=2 328 B13R1.351 CC(O)C(=O)NCC1=NC=CC=C1 Z1251361039 [1,1,0,0,0,0|1,0,0]=3 329 B13R1.351 CN(C)C(=O)NCC1=CN=CC=C1 Z166703568 [1,1,0,0,0,0|2,0,0]=4 330 B13R1.351 CN(C)C(=O)OCC1=CC=CC=C1 Z32014975 [1,1,0,0,0,0|2,0,0]=4 331 B13R1.351 CN(C)C(=S)NCC1=CC=CC=C1 Z45810672 [1,1,0,0,0,0|1,1,0]=4 332 B13R1.351 CN(N)C(=S)NCC1=CC=CC=C1 Z56851283 [1,1,0,0,0,0|1,1,0]=4 333 B13R1.351 O=C(CCC1=CC=CC=C1)C(F)F Z1413815132 [1,1,0,0,0,0|1,1,0]=4 334 B13R1.351 O=C(NCC1=CC=CC=C1)C(F)Cl Z1509169538 [1,1,0,0,0,0|0,0,0]=2 335 B13R1.351 O=C(NCC1=NC=CC=C1)C(F)F Z31769401 [1,1,0,0,0,0|1,1,0]=4 336 B13R1.417 C/N=C(\NC)/NCC1=CC=CC=C1 Z1089994842 [1,1,0,0,0,0|2,0,0]=4 337 B13R1.528 CC1=C(C=CC=C1)CNC(=O)CCl Z147651714 [1,1,0,0,0,0|0,0,0]=2 338 B13R1.528 CCC(=O)NCC1=C(C=CC=C1)C Z52337400 [1,1,0,0,0,0|0,0,0]=2 339 B13R1.528 CCC(=O)NCC1=C(C=CC=C1)F Z29857782 [1,1,0,0,0,0|0,0,0]=2 340 B13R1.528 CNC(=O)CCC1=C(C=CC=C1)Br Z605596238 [1,1,0,0,0,0|2,0,0]=4 341 B13R1.528 CNC(=O)CCC1=C(C=CC=C1)Cl Z32015398 [1,1,0,0,0,0|2,0,0]=4 342 B13R1.528 CNC(=O)CCC1=C(C=CC=C1)O Z242124126 [1,1,0,0,0,0|2,0,0]=4 343 B13R1.528 NCC(=O)OCC1=C(C=CC=C1)Cl Z1267881712 [1,1,0,0,0,0|2,0,0]=4 344 B13R1.528 O=C(CCl)NCC1=C(C=CC=C1)Cl Z56896258 [1,1,0,0,0,0|0,0,0]=2 345 B13R1.528 O=C(CCl)NCC1=C(C=CC=C1)F Z62500003 [1,1,0,0,0,0|0,0,0]=2 346 B13R1.528 O=C(CO)NCC1=C(C=CC=C1)Cl Z431953010 [1,1,0,0,0,0|1,0,0]=3 347 B13R1.19 CC1=CC=C(C=C1)NC(=O)CC#N Z56812709 [0,1,0,0,1,0|1,0,1]=4 348 B13R1.19 CCCC(=O)NC1=CC=C(C=C1)Br Z27786845 [0,1,0,0,1,0|1,0,0]=3 349 B13R1.19 CCCC(=O)NC1=NC=C(C=C1)C Z71579617 [0,1,0,0,1,0|2,0,0]=4 350 B13R1.19 CCCC(=O)NC1=NC=C(C=C1)Cl Z71484787 [0,1,0,0,1,0|2,0,0]=4 351 B13R1.19 CCCS(=O)CC1=CC=C(C=C1)Br Z2933960114 [0,1,0,0,1,0|2,0,0]=4 352 B13R1.19 CCNC(=O)CC1=CC=C(C=C1)F Z32024691 [0,1,0,0,1,0|2,0,0]=4 353 B13R1.19 CCNC(=O)CC1=CC=C(C=C1)N Z239124818 [0,1,0,0,1,0|2,0,0]=4 354 B13R1.19 CCNC(=O)NC1=CC=C(C=C1)C Z44589983 [0,1,0,0,1,0|2,0,0]=4 355 B13R1.19 CCNC(=O)NC1=CC=C(C=C1)F Z44586779 [0,1,0,0,1,0|2,0,0]=4 356 B13R1.19 CCOC(=O)CC1=CC=C(C=C1)F Z53835949 [0,1,0,0,1,0|2,0,0]=4 357 B13R1.19 CCOC(=O)NC1=CC=C(C=C1)Br Z31510257 [0,1,0,0,1,0|2,0,0]=4 358 B13R1.19 CCOC(=O)NC1=CC=C(C=C1)I Z32028321 [0,1,0,0,1,0|2,0,0]=4 359 B13R1.19 CCOC(=O)NC1=CC=C(C=C1)N Z283822580 [0,1,0,0,1,0|2,0,0]=4 360 B13R1.19 CCOC(=O)NC1=CC=C(C=C1)O Z64464377 [0,1,0,0,1,0|2,0,0]=4 361 B13R1.19 CNCC(=O)NC1=CC=C(C=C1)C Z46191128 [0,1,0,0,1,0|2,0,0]=4 362 B13R1.19 CNCC(=O)NC1=CC=C(C=C1)Cl Z56957571 [0,1,0,0,1,0|2,0,0]=4 363 B13R1.19 CNCC(=O)NC1=CC=C(C=C1)F Z46191184 [0,1,0,0,1,0|2,0,0]=4 364 B13R1.19 CNCC(=O)NC1=CC=C(C=C1)O Z1162448845 [0,1,0,0,1,0|2,0,0]=4 365 B13R1.19 COCC(=O)NC1=CC=C(C=C1)Br Z31510666 [0,1,0,0,1,0|2,0,0]=4 366 B13R1.19 COCC(=O)NC1=CC=C(C=C1)F Z31837970 [0,1,0,0,1,0|2,0,0]=4 367 B13R1.19 COCC(=O)NC1=CC=C(C=C1)I Z32028730 [0,1,0,0,1,0|2,0,0]=4 368 B13R1.19 COCC(=O)NC1=CC=C(C=C1)N Z239120948 [0,1,0,0,1,0|2,0,0]=4 369 B13R1.19 CSCC(=O)NC1=CC=C(C=C1)Cl Z28161059 [0,1,0,0,1,0|2,0,0]=4 370 B13R1.19 CSCC(=O)NC1=CC=C(C=C1)O Z351737026 [0,1,0,0,1,0|2,0,0]=4 371 B13R1.19 N#CCC(=O)NC1=CC=C(C=C1)Br Z57676375 [0,1,0,0,1,0|1,0,1]=4 372 B13R1.19 N#CCC(=O)NC1=CC=C(C=C1)Cl Z56837087 [0,1,0,0,1,0|1,0,1]=4 373 B13R1.19 N#CCC(=O)NC1=CC=C(C=C1)F Z56896173 [0,1,0,0,1,0|1,0,1]=4 374 B13R1.19 NCCC(=O)NC1=CC=C(C=C1)Br Z744754404 [0,1,0,0,1,0|1,0,0]=3 375 B13R1.19 O=C(CCCl)NC1=CC=C(C=C1)Br Z240090024 [0,1,0,0,1,0|0,0,0]=2 376 B13R1.19 O=C(CCCl)NC1=CC=C(C=C1)Cl Z57805686 [0,1,0,0,1,0|0,0,0]=2 377 B13R1.19 O=C(CCCl)NC1=CC=C(C=C1)F Z240090040 [0,1,0,0,1,0|0,0,0]=2 378 B13R1.19 O=C(CCCl)NC1=CC=C(C=C1)O Z425490042 [0,1,0,0,1,0|0,0,0]=2 379 B13R1.19 O=S(CCO)CC1=CC=C(C=C1)I Z1614747420 [0,1,0,0,1,0|2,0,0]=4 380 B13R1.20 CC1=CC(=CC=C1)NC(=O)CC#N Z56813527 [0,1,0,0,1,0|1,0,1]=4 381 B13R1.20 CC1=NC(=CC=C1)NC(=O)CCN Z815264192 [0,1,0,0,1,0|2,0,0]=4 382 B13R1.20 CCCC(=O)NC1=CC(=CC=C1)N Z594038260 [0,1,0,0,1,0|1,0,0]=3 383 B13R1.20 CCCC(=O)NC1=NC=CC(=C1)C Z71388575 [0,1,0,0,1,0|2,0,0]=4 384 B13R1.20 CCNC(=O)CC1=CC(=CC=C1)F Z32025095 [0,1,0,0,1,0|2,0,0]=4 385 B13R1.20 CCNC(=O)NC1=CC(=CC=C1)Cl Z44590091 [0,1,0,0,1,0|2,0,0]=4 386 B13R1.20 CCNC(=O)NC1=CC(=CC=C1)N Z356292614 [0,1,0,0,1,0|2,0,0]=4 387 B13R1.20 CCOC(=O)CC1=CC(=CC=C1)C Z979746960 [0,1,0,0,1,0|2,0,0]=4 388 B13R1.20 CCOC(=O)CC1=CC(=CC=C1)Cl Z982130886 [0,1,0,0,1,0|2,0,0]=4 389 B13R1.20 CCOC(=O)NC1=CC(=CC=C1)Cl Z31697001 [0,1,0,0,1,0|2,0,0]=4 390 B13R1.20 CCOC(=O)NC1=CC(=CC=C1)O Z31717081 [0,1,0,0,1,0|2,0,0]=4 391 B13R1.20 CNCC(=O)NC1=CC(=CC=C1)Cl Z1238477752 [0,1,0,0,1,0|2,0,0]=4 392 B13R1.20 CNCC(=O)NC1=CC(=CC=C1)F Z56963375 [0,1,0,0,1,0|2,0,0]=4 393 B13R1.20 COCC(=O)NC1=CC(=CC=C1)I Z32609042 [0,1,0,0,1,0|2,0,0]=4 394 B13R1.20 COCC(=O)NC1=CC(=CC=C1)N Z3895252791 [0,1,0,0,1,0|2,0,0]=4 395 B13R1.20 CSCC(=O)NC1=CC(=CC=C1)Br Z27788262 [0,1,0,0,1,0|2,0,0]=4 396 B13R1.20 CSCC(=O)NC1=CC(=CC=C1)Cl Z28140342 [0,1,0,0,1,0|2,0,0]=4 397 B13R1.20 CSCC(=O)NC1=CC(=CC=C1)F Z28142453 [0,1,0,0,1,0|2,0,0]=4 398 B13R1.20 N#CCC(=O)NC1=CC=CC(=C1)Br Z57131081 [0,1,0,0,1,0|1,0,1]=4 399 B13R1.20 N#CCC(=O)NC1=CC=CC(=C1)Cl Z56837098 [0,1,0,0,1,0|1,0,1]=4 400 B13R1.20 O=C(CCCl)NC1=CC(=CC=C1)Cl Z217707140 [0,1,0,0,1,0|0,0,0]=2 401 B13R1.20 O=C(CCCl)NC1=CC=CC(=C1)F Z217707142 [0,1,0,0,1,0|0,0,0]=2 402 B13R1.47 CCCC(=O)N(C)C1=CC=CC=C1 Z31506333 [0,1,0,0,1,0|1,0,0]=3 403 B13R1.47 CCOC(=O)C(N)C1=CC=CC=C1 Z2755013956 [0,1,0,0,1,0|2,0,0]=4 404 B13R1.47 CCOC(=O)[C@H](N)C1=CC=CC=C1 Z1274177321 [0,1,0,0,1,0|2,0,0]=4 405 B13R1.47 CN(C(=O)CC#N)C1=CC=CC=C1 Z316157810 [0,1,0,0,1,0|1,0,1]=4 406 B13R1.47 CN(C(=O)CCN)C1=CC=CC=C1 Z415728030 [0,1,0,0,1,0|1,0,0]=3 407 B13R1.47 COCC(=O)N(C)C1=CC=CC=C1 Z31506650 [0,1,0,0,1,0|2,0,0]=4 408 B13R1.348 CC(=O)CC(=O)CC1=CC=CC=C1 Z1198148922 [0,1,0,0,1,0|1,0,1]=4 409 B13R1.348 CC(=O)CC(=O)NC1=CC=CC=C1 Z56968279 [0,1,0,0,1,0|1,0,1]=4 410 B13R1.348 CC(C)CC(=O)NC1=CC=NC=C1 Z85517198 [0,1,0,0,1,0|2,0,0]=4 411 B13R1.348 CC(C)CC(=O)NC1=NC=CC=C1 Z85525351 [0,1,0,0,1,0|2,0,0]=4 412 B13R1.348 CC(C)NC(=O)NC1=CC=CC=C1 Z44580881 [0,1,0,0,1,0|2,0,0]=4 413 B13R1.348 CC(C)OC(=O)NC1=CC=CC=C1 Z55310382 [0,1,0,0,1,0|2,0,0]=4 414 B13R1.348 CC(N)CC(=O)NC1=CC=CC=C1 Z594220260 [0,1,0,0,1,0|1,0,0]=3 415 B13R1.348 NC(=S)CC(=O)NC1=CC=CC=C1 Z89264865 [0,1,0,0,1,0|1,0,1]=4 416 B13R1.348 O=C(CC1=CC=CC=C1)C[N+](=O)[O-] Z57032633 [0,1,0,0,1,0|2,0,0]=4 417 B13R1.470 CC1=C(C=CC=C1)NC(=O)CC#N Z56809224 [0,1,0,0,1,0|1,0,1]=4 418 B13R1.470 CCCC(=O)NC1=C(C=CC=C1)Cl Z27812177 [0,1,0,0,1,0|1,0,0]=3 419 B13R1.470 CCCC(=O)NC1=C(C=CC=C1)I Z28163864 [0,1,0,0,1,0|1,0,0]=3 420 B13R1.470 CCCC(=O)NC1=C(C=CC=C1)N Z1455911296 [0,1,0,0,1,0|1,0,0]=3 421 B13R1.470 CCCC(=O)NC1=C(N=CC=C1)Cl Z240654968 [0,1,0,0,1,0|2,0,0]=4 422 B13R1.470 CCNC(=O)CC1=C(C=CC=C1)F Z32024739 [0,1,0,0,1,0|2,0,0]=4 423 B13R1.470 CCNC(=O)NC1=C(C=CC=C1)F Z44591387 [0,1,0,0,1,0|2,0,0]=4 424 B13R1.470 CCOC(=O)CC1=C(C=CC=C1)F Z53836539 [0,1,0,0,1,0|2,0,0]=4 425 B13R1.470 CNCC(=O)NC1=C(C=CC=C1)Br Z46191251 [0,1,0,0,1,0|2,0,0]=4 426 B13R1.470 CNCC(=O)NC1=C(C=CC=C1)Cl Z46191122 [0,1,0,0,1,0|2,0,0]=4 427 B13R1.470 COCC(=O)NC1=C(C=CC=C1)Cl Z31683354 [0,1,0,0,1,0|2,0,0]=4 428 B13R1.470 COCC(=O)NC1=C(C=CC=C1)I Z31709458 [0,1,0,0,1,0|2,0,0]=4 429 B13R1.470 CSCC(=O)NC1=C(C=CC=C1)Br Z27784040 [0,1,0,0,1,0|2,0,0]=4 430 B13R1.470 CSCC(=O)NC1=C(C=CC=C1)Cl Z27811483 [0,1,0,0,1,0|2,0,0]=4 431 B13R1.470 CSCC(=O)NC1=C(C=CC=C1)F Z17608457 [0,1,0,0,1,0|2,0,0]=4 432 B13R1.470 N#CCC(=O)NC1=C(C=CC=C1)Br Z57904506 [0,1,0,0,1,0|1,0,1]=4 433 B13R1.470 N#CCC(=O)NC1=C(C=CC=C1)Cl Z56822407 [0,1,0,0,1,0|1,0,1]=4 434 B13R1.470 N#CCC(=O)NC1=C(C=CC=C1)F Z56790589 [0,1,0,0,1,0|1,0,1]=4 435 B13R1.470 NCCC(=O)NC1=C(C=CC=C1)Br Z4663226499 [0,1,0,0,1,0|1,0,0]=3 436 B13R1.470 O=C(CCCl)NC1=C(C=CC=C1)Br Z56355640 [0,1,0,0,1,0|0,0,0]=2 437 B13R1.470 O=C(CCCl)NC1=C(C=CC=C1)Cl Z217707118 [0,1,0,0,1,0|0,0,0]=2 438 B13R1.470 O=C(CCCl)NC1=C(C=CC=C1)F Z217707154 [0,1,0,0,1,0|0,0,0]=2 439 B13R1.1327 NCCS(=O)(=O)CC1=CC=CC=C1 Z425449646 [0,1,0,0,1,0|2,0,0]=4 440 B13R1.1327 NCCS(=O)(=O)NC1=CC=CC=C1 Z445129434 [0,1,0,0,1,0|2,0,0]=4 441 B13R1.153 CCCCC(=O)NCC1=CC=CS1 Z29693715 [0,1,0,0,1,0|2,0,0]=4 442 B13R1.153 CCNCC(=O)NCC1=CC=CS1 Z55849453 [0,1,0,0,1,0|2,0,0]=4 443 B13R1.153 CSCCC(=O)NCC1=CC=CS1 Z29693438 [0,1,0,0,1,0|2,0,0]=4 444 B13R1.554 CCC(C)C(=O)NCC1=CC=CS1 Z237885750 [0,1,0,0,1,0|2,0,0]=4 445 B15R1.11 CCCC(=O)NCCC1=CC=C(C=C1)F Z26769860 [0,1,0,0,0,1|1,0,0]=3 446 B15R1.11 CCNC(=O)NCCC1=CC=C(C=C1)Cl Z44606039 [0,1,0,0,0,1|2,0,0]=4 447 B15R1.11 CCOC(=O)CNCC1=CC=C(C=C1)C Z1259340982 [0,1,0,0,0,1|2,0,0]=4 448 B15R1.11 CCOC(=O)CNCC1=CC=C(C=C1)Cl Z266076664 [0,1,0,0,0,1|2,0,0]=4 449 B15R1.11 CCOC(=O)CNCC1=CC=C(C=C1)F Z969560722 [0,1,0,0,0,1|2,0,0]=4 450 B15R1.11 COCC(=O)NCCC1=CC=C(C=C1)F Z32884138 [0,1,0,0,0,1|2,0,0]=4 451 B15R1.11 N#CCC(=O)NCCC1=CC=C(C=C1)F Z316157892 [0,1,0,0,0,1|1,0,1]=4 452 B15R1.89 COCC(=O)NCC(C)C1=CC=CC=C1 Z32823898 [0,1,0,0,0,1|2,0,0]=4 453 B15R1.157 C#CCNC(=O)NCCC1=CC=CC=C1 Z211772872 [0,1,0,0,0,1|1,0,1]=4 454 B15R1.157 CCCNC(=O)CCNC1=CC=CC=C1 Z337819288 [0,1,0,0,0,1|2,0,0]=4 455 B15R1.157 CCCNC(=O)CCSC1=CC=CC=C1 Z33031155 [0,1,0,0,0,1|2,0,0]=4 456 B15R1.157 NCCNC(=O)CCCC1=CC=CC=C1 Z1455674835 [0,1,0,0,0,1|2,0,0]=4 457 B15R1.157 NCCNC(=O)CCOC1=CC=CC=C1 Z1455673914 [0,1,0,0,0,1|2,0,0]=4 458 B15R1.633 CCCC(=O)NCCC1=CC(=CC=C1)F Z96044208 [0,1,0,0,0,1|1,0,0]=3 459 B15R1.633 COCC(=O)NCCC1=CC(=CC=C1)Cl Z52342954 [0,1,0,0,0,1|2,0,0]=4 460 B15R1.633 COCC(=O)NCCC1=CC(=CC=C1)F Z102759396 [0,1,0,0,0,1|2,0,0]=4 461 B15R1.633 COCC(=O)NCCC1=CC(=CC=C1)O Z977892294 [0,1,0,0,0,1|2,0,0]=4 462 B15R1.826 CCCC(=O)N(C)CCC1=CC=CC=C1 Z337942140 [0,1,0,0,0,1|1,0,0]=3 463 B15R1.826 CN(CCC1=CC=CC=C1)C(=O)CC#N Z1263657548 [0,1,0,0,0,1|1,0,1]=4 464 B15R1.1252 CCCC(=O)NCCC1=C(C=CC=C1)Br Z952021222 [0,1,0,0,0,1|1,0,0]=3 465 B15R1.1252 CCCC(=O)NCCC1=C(C=CC=C1)C Z52314124 [0,1,0,0,0,1|1,0,0]=3 466 B15R1.1252 CCCC(=O)NCCC1=C(C=CC=N1)C Z2284574829 [0,1,0,0,0,1|2,0,0]=4 467 B15R1.1252 CCNC(=O)NCCC1=C(C=CC=C1)Br Z951220624 [0,1,0,0,0,1|2,0,0]=4 468 B15R1.1252 CCNC(=O)NCCC1=C(C=CC=C1)F Z53120140 [0,1,0,0,0,1|2,0,0]=4 469 B15R1.1252 COCC(=O)NCCC1=C(C=CC=C1)C Z52338832 [0,1,0,0,0,1|2,0,0]=4 470 B15R1.1252 COCC(=O)NCCC1=C(C=CC=C1)F Z52280392 [0,1,0,0,0,1|2,0,0]=4 471 B15R1.1321 CCC(C)C(=O)NCCC1=NC=CC=C1 Z241294308 [0,1,0,0,0,1|2,0,0]=4 472 B15R1.1321 CCC(C)C(=O)NOCC1=CC=CC=C1 Z238063708 [0,1,0,0,0,1|1,0,0]=3 473 B15R1.9084 CC(=O)CC(=O)NCCC1=CC=CC=C1 Z57515162 [0,1,0,0,0,1|1,0,1]=4 474 B15R1.9084 CC(C)CC(=O)NCCC1=CC=CC=C1 Z27761648 [0,1,0,0,0,1|1,0,0]=3 475 B15R1.9084 CC(C)CC(=O)NCCC1=NC=CC=C1 Z32446127 [0,1,0,0,0,1|2,0,0]=4 476 B15R1.9084 CC(C)CC(=O)NOCC1=CC=CC=C1 Z101951344 [0,1,0,0,0,1|1,0,0]=3 477 B15R1.23 COCC(=O)NC(C)C1=CC=C(C=C1)Br Z32486554 [0,2,0,0,0,0|2,0,0]=4 478 B15R1.23 COCC(=O)NC(C)C1=CC=C(C=C1)Cl Z32474506 [0,2,0,0,0,0|2,0,0]=4 479 B15R1.24 CCCC(=O)NC(C)C1=CC(=CC=C1)Br Z336930938 [0,2,0,0,0,0|1,0,0]=3 480 B15R1.24 CCCC(=O)NC(C)C1=CC(=CC=C1)F Z28545579 [0,2,0,0,0,0|1,0,0]=3 481 B15R1.24 CCNC(=O)NC(C)C1=CC(=CC=C1)Cl Z44593223 [0,2,0,0,0,0|2,0,0]=4 482 B15R1.24 COCC(=O)NC(C)C1=CC(=CC=C1)Br Z336934080 [0,2,0,0,0,0|2,0,0]=4 483 B15R1.24 COCC(=O)NC(C)C1=CC(=CC=C1)Cl Z32291778 [0,2,0,0,0,0|2,0,0]=4 484 B15R1.24 COCC(=O)NC(C)C1=CC(=CC=C1)F Z32586954 [0,2,0,0,0,0|2,0,0]=4 485 B15R1.115 CSCCC(=O)NC(C)C1=NC=CC=C1 Z27633149 [0,2,0,0,0,0|2,0,0]=4 486 B15R1.578 CNCC(=O)N(C)C(C)C1=CC=CC=C1 Z1458063510 [0,2,0,0,0,0|2,0,0]=4 487 B15R1.947 CCC(C)C(=O)NC(C)C1=CC=CC=C1 Z237771156 [0,2,0,0,0,0|1,0,0]=3 488 B15R1.947 CCC(N)C(=O)NC(C)C1=NC=CC=C1 Z445128398 [0,2,0,0,0,0|2,0,0]=4 489 B15R1.1076 CC(C)CC(=O)NC(C)C1=CC=CC=C1 Z31450159 [0,2,0,0,0,0|1,0,0]=3 490 B15R1.1076 CC(C)CC(=O)NC(C)C1=CN=CC=C1 Z83015676 [0,2,0,0,0,0|2,0,0]=4 491 B15R1.1076 CC(C)NC(=O)NC(C)C1=CC=CC=C1 Z211770090 [0,2,0,0,0,0|2,0,0]=4 492 B15R1.1257 CCOC(=O)NC(CN)C1=CC=CC=C1 Z285926096 [0,2,0,0,0,0|2,0,0]=4 493 B15R1.3722 CNCC(=O)NC(C)C1=C(C=CC=C1)C Z104757190 [0,2,0,0,0,0|2,0,0]=4 494 B15R1.3722 COCC(=O)NC(C)C1=C(C=CC=C1)Br Z32530730 [0,2,0,0,0,0|2,0,0]=4 495 B15R1.3722 COCC(=O)NC(C)C1=C(C=CC=C1)C Z32526714 [0,2,0,0,0,0|2,0,0]=4 496 B15R1.9724 CCCS(=O)(=O)NC(C)C1=CC=CC=C1 Z53825004 [0,2,0,0,0,0|2,0,0]=4 497 B15R1.49 COCC(=O)N(C)CC1=CC(=CC=C1)Cl Z31958450 [0,2,0,0,0,0|2,0,0]=4 498 B15R1.127 C#CCNC(=O)NCC1=CC=CC(=C1)C Z332558534 [0,2,0,0,0,0|1,0,1]=4 499 B15R1.127 C=CCCC(=O)NCC1=CC=CC(=C1)Br Z995029616 [0,2,0,0,0,0|1,0,0]=3 500 B15R1.127 C=CCNC(=O)NCC1=CC=CC(=C1)O Z749944046 [0,2,0,0,0,0|1,0,1]=4 501 B15R1.127 CCCNC(=O)NNC1=CC(=CC=C1)C Z44597713 [0,2,0,0,0,0|2,0,0]=4 502 B15R1.1002 CCN(C)C(=O)NCC1=CC(=CC=C1)Br Z1188327367 [0,2,0,0,0,0|2,0,0]=4 503 B15R1.1002 CCN(C)C(=O)NCC1=CC(=CC=C1)C Z1188325591 [0,2,0,0,0,0|2,0,0]=4 504 B15R1.1002 CCN(C)C(=O)NCC1=CC(=CC=C1)Cl Z1188324959 [0,2,0,0,0,0|2,0,0]=4 505 B15R1.3858 CC1=C(C=C(C=C1)Br)CNC(=O)CC#N Z1787635626 [0,2,0,0,0,0|1,0,1]=4 506 B15R1.3858 COCC(=O)NCC1=C(C=CC(=C1)Br)F Z341347120 [0,2,0,0,0,0|2,0,0]=4 507 B15R1.8263 CC(C)NC(=O)NCC1=CC(=CC=C1)Cl Z211757722 [0,2,0,0,0,0|2,0,0]=4 508 B15R1.8263 CC1=CC=CC(=C1)CNC(=O)NC(C)C Z336499302 [0,2,0,0,0,0|2,0,0]=4 509 B15R1.9720 COCC(=O)NCC1=CC(=CC(=C1)F)F Z357027746 [0,2,0,0,0,0|2,0,0]=4 510 B15R1.9737 CCCS(=O)(=O)NCC1=CC(=CC=C1)N Z436150148 [0,2,0,0,0,0|2,0,0]=4 511 B15R1.10389 CCCC(=O)NCC1=NC(=CC=C1)OC Z963733992 [0,2,0,0,0,0|2,0,0]=4 512 B15R1.10389 COC1=CC(=CC=C1)CNC(=O)CSC Z29364472 [0,2,0,0,0,0|2,0,0]=4 513 B15R1.10389 NCCC(=O)NCC1=CC(=CC=C1)CN Z3325237056 [0,2,0,0,0,0|1,0,0]=3 514 B15R1.10390 CCNC(=O)NCC1=CC(=C(C=C1)Br)F Z933912286 [0,2,0,0,0,0|2,0,0]=4 515 B15R1.10390 CCNC(=O)NCC1=CC(=C(C=C1)F)C Z211778682 [0,2,0,0,0,0|2,0,0]=4 516 B15R1.10390 COCC(=O)NCC1=CC(=C(C=C1)C)F Z195286108 [0,2,0,0,0,0|2,0,0]=4 517 B15R1.10390 COCC(=O)NCC1=CC(=C(C=C1)F)C Z219632854 [0,2,0,0,0,0|2,0,0]=4 518 B15R1.10390 COCC(=O)NCC1=CC(=C(C=C1)I)Cl Z2001603745 [0,2,0,0,0,0|2,0,0]=4 519 B15R1.10390 N#CCC(=O)NCC1=CC(=C(C=C1)Br)F Z1688549369 [0,2,0,0,0,0|1,0,1]=4 520 B15R1.10390 N#CCC(=O)NCC1=CC(=C(C=C1)I)Cl Z2004787549 [0,2,0,0,0,0|1,0,1]=4 521 B15R1.10390 O=C(CCO)NCC1=CC(=C(C=C1)I)Cl Z2941715676 [0,2,0,0,0,0|1,0,0]=3 522 B15R1.48 COCC(=O)N(C)CC1=CC=C(C=C1)Cl Z31841986 [0,2,0,0,0,0|2,0,0]=4 523 B15R1.496 CC(C)NC(=O)N(C)CC1=CC=CC=C1 Z183343694 [0,2,0,0,0,0|2,0,0]=4 524 B15R1.973 CCC(N)C(=O)N(C)CC1=NC=CC=C1 Z1486399927 [0,2,0,0,0,0|2,0,0]=4 525 B15R1.3960 CN(CC1=C(C=CC=C1)Br)C(=O)CCN Z608611030 [0,2,0,0,0,0|1,0,0]=3 526 B15R1.3960 COCC(=O)N(C)CC1=C(C=CC=C1)F Z31651226 [0,2,0,0,0,0|2,0,0]=4 527 B15R1.78 NCCCCC(=O)OCC1=CC=CC=C1 Z1649893037 [0,2,0,0,0,0|2,0,0]=4 528 B15R1.78 NCCNCC(=O)NCC1=NC=CC=C1 Z1688198383 [0,2,0,0,0,0|2,0,0]=4 529 B15R1.78 O=C(CCC1=CC=CC=C1)NCCCO Z68223340 [0,2,0,0,0,0|2,0,0]=4 530 B15R1.78 OCCCNC(=S)NCC1=CC=CC=C1 Z45808332 [0,2,0,0,0,0|1,1,0]=4 531 B15R1.139 C#CCNC(=O)NCC1=CC=C(C=C1)Cl Z211756778 [0,2,0,0,0,0|1,0,1]=4 532 B15R1.139 C#CCNC(=O)NCC1=CC=C(C=C1)F Z211759898 [0,2,0,0,0,0|1,0,1]=4 533 B15R1.139 C=CCNC(=O)NCC1=CC=C(C=C1)F Z211759812 [0,2,0,0,0,0|1,0,1]=4 534 B15R1.139 CC1=CC=C(C=C1)CCC(=O)NCCO Z194856678 [0,2,0,0,0,0|2,0,0]=4 535 B15R1.139 CC1=CC=C(C=C1)CNC(=O)NCCO Z299658950 [0,2,0,0,0,0|1,0,0]=3 536 B15R1.139 CCCNC(=O)CCC1=CC=C(C=C1)C Z192605382 [0,2,0,0,0,0|2,0,0]=4 537 B15R1.139 CCCNC(=O)NCC1=CC=C(C=C1)C Z44616613 [0,2,0,0,0,0|1,0,0]=3 538 B15R1.139 CCCNC(=O)NCC1=CC=C(C=C1)Cl Z44585257 [0,2,0,0,0,0|1,0,0]=3 539 B15R1.139 CCCNC(=O)NNC1=CC=C(C=C1)F Z44603545 [0,2,0,0,0,0|2,0,0]=4 540 B15R1.139 CCCNC(=S)NCC1=CC=C(C=C1)Cl Z45793356 [0,2,0,0,0,0|1,1,0]=4 541 B15R1.139 CCNCC(=O)NCC1=CC=C(C=C1)Cl Z46193726 [0,2,0,0,0,0|1,0,0]=3 542 B15R1.139 CCNCC(=O)NCC1=CC=C(C=C1)F Z56945963 [0,2,0,0,0,0|1,0,0]=3 543 B15R1.139 CCOCC(=O)OCC1=CC=C(C=C1)Cl Z18759770 [0,2,0,0,0,0|2,0,0]=4 544 B15R1.741 CC(CO)NC(=O)NCC1=CC=CC=C1 Z332430596 [0,2,0,0,0,0|1,0,0]=3 545 B15R1.741 CC(CO)NC(=O)OCC1=CC=CC=C1 Z353295958 [0,2,0,0,0,0|2,0,0]=4 546 B15R1.741 CCC(C)NC(=O)CCC1=CC=CC=C1 Z31442130 [0,2,0,0,0,0|2,0,0]=4 547 B15R1.741 CCC(C)NC(=O)NCC1=CC=CC=C1 Z123610172 [0,2,0,0,0,0|1,0,0]=3 548 B15R1.741 N/C(=N\O)/CC(=O)NCC1=CC=CC=C1 Z56928667 [0,2,0,0,0,0|1,0,1]=4 549 B15R1.741 O=C(CCl)NC(=O)NCC1=CC=CC=C1 Z56876462 [0,2,0,0,0,0|0,0,1]=3 550 B15R1.741 O=C(CCl)NC(=O)OCC1=CC=CC=C1 Z107334158 [0,2,0,0,0,0|1,0,1]=4 551 B15R1.1208 C#CCNC(=O)NCC1=C(C=CC=C1)Br Z925707254 [0,2,0,0,0,0|1,0,1]=4 552 B15R1.1208 C#CCNC(=O)NCC1=C(C=CC=C1)Cl Z211781190 [0,2,0,0,0,0|1,0,1]=4 553 B15R1.1208 C=CCNC(=O)NCC1=C(C=CC=C1)C Z211779316 [0,2,0,0,0,0|1,0,1]=4 554 B15R1.1208 C=CCNC(=O)NCC1=C(C=CC=C1)Cl Z211778970 [0,2,0,0,0,0|1,0,1]=4 555 B15R1.1208 CCCNC(=O)CCC1=C(C=CC=C1)Cl Z33029438 [0,2,0,0,0,0|2,0,0]=4 556 B15R1.1208 O=C(CCC1=C(C=CC=C1)Br)NCCO Z605783116 [0,2,0,0,0,0|2,0,0]=4 557 B15R1.5919 CC(=O)CCC(=O)OCC1=CC=CC=C1 Z291879514 [0,2,0,0,0,0|2,0,0]=4 558 B15R1.5919 CC(C)CNC(=O)CCC1=CC=CC=C1 Z32385890 [0,2,0,0,0,0|2,0,0]=4 559 B15R1.5919 CC(C)SCC(=O)NCC1=NC=CC=C1 Z339432436 [0,2,0,0,0,0|2,0,0]=4 560 B15R1.791 COCC(=O)NCC1=C(C=C(C=C1)Br)Cl Z875713908 [0,2,0,0,0,0|2,0,0]=4 561 B15R1.791 COCC(=O)NCC1=C(C=C(C=C1)Cl)Cl Z32454426 [0,2,0,0,0,0|2,0,0]=4 562 B15R1.793 COC1=CC=C(C=C1)CNC(=O)CC#N Z169917694 [0,2,0,0,0,0|1,0,1]=4 563 B15R1.870 CC(=O)CC(=O)NCC1=CC=C(C=C1)C Z285671836 [0,2,0,0,0,0|1,0,1]=4 564 B15R1.870 CC(C)CC(=O)NCC1=CC=C(C=C1)Cl Z27724826 [0,2,0,0,0,0|1,0,0]=3 565 B15R1.870 CC(C)CC(=O)NCC1=CC=C(C=C1)F Z26779792 [0,2,0,0,0,0|1,0,0]=3 566 B15R1.870 CC(C)NC(=O)NCC1=CC=C(C=C1)Cl Z211756682 [0,2,0,0,0,0|2,0,0]=4 567 B15R1.870 CC(C)NC(=O)NCC1=CC=C(C=C1)F Z211770120 [0,2,0,0,0,0|2,0,0]=4 568 B15R1.870 CC(C)OC(=O)NCC1=CC=C(C=C1)N Z1269638553 [0,2,0,0,0,0|2,0,0]=4 569 B15R1.870 CC1=CC=C(C=C1)CNC(=O)NC(C)C Z211760322 [0,2,0,0,0,0|2,0,0]=4 570 B15R1.870 CC1=NC=C(C=C1)CNC(=O)CC(C)C Z437516098 [0,2,0,0,0,0|2,0,0]=4 571 B15R1.1001 CCC(C)C(=O)NCC1=CC=C(C=C1)F Z237806702 [0,2,0,0,0,0|1,0,0]=3 572 B15R1.9519 NCCS(=O)(=O)NCC1=CC=C(C=C1)F Z425389802 [0,2,0,0,0,0|2,0,0]=4 573 B15R1.130 CC(C)CC(=O)NCC1=C(C=CC=C1)F Z29857814 [0,2,0,0,0,0|1,0,0]=3 574 B15R1.130 CC(C)NC(=O)NCC1=C(C=CC=C1)Cl Z211770130 [0,2,0,0,0,0|2,0,0]=4 575 B15R1.130 CC(C)NC(=O)NCC1=C(C=CC=C1)F Z211770208 [0,2,0,0,0,0|2,0,0]=4 576 B15R1.130 CC1=C(C=CC=C1)CNC(=O)CC(C)C Z52337472 [0,2,0,0,0,0|1,0,0]=3 577 B15R1.130 CC1=C(C=CC=C1)CNC(=O)NC(C)C Z211770476 [0,2,0,0,0,0|2,0,0]=4 578 B15R1.768 COC1=C(C=CC=C1)CNC(=O)CSC Z26709558 [0,2,0,0,0,0|2,0,0]=4 579 B15R1.1323 CCC(C)C(=O)NCC1=C(C=CC=C1)C Z237917616 [0,2,0,0,0,0|1,0,0]=3 580 B15R1.1323 CCC(C)C(=O)NCC1=C(C=CC=C1)F Z237906478 [0,2,0,0,0,0|1,0,0]=3 581 B15R1.3678 CC(C)C(Br)C(=O)NCC1=CC=CC=C1 Z169917710 [0,2,0,0,0,0|1,0,0]=3 582 B15R1.3678 CC(C)C(Br)C(=O)NCC1=CN=CC=C1 Z359354300 [0,2,0,0,0,0|2,0,0]=4 583 B15R1.3678 CC(C)[C@H](N)C(=O)NCC1=CC=CC=C1 Z760042646 [0,2,0,0,0,0|1,0,0]=3 584 B15R1.3678 CC(C)[C@H](N)C(=O)NNC1=CC=CC=C1 Z1621628558 [0,2,0,0,0,0|2,0,0]=4 585 B15R1.3465 CC(C)(C)CC(=O)NCC1=NC=CC=C1 Z30166520 [0,2,0,0,0,0|2,0,0]=4 586 B15R1.3465 CC(C)(O)CC(=O)NOC1=CC=CC=C1 Z2639917417 [0,2,0,0,0,0|2,0,0]=4 587 B15R1.3465 O=C(CC(F)(F)F)NCC1=CC=CC=C1 Z283697164 [0,2,0,0,0,0|0,1,0]=3 588 B15R1.3465 O=C(CC(F)(F)F)NCC1=CC=NC=C1 Z316418966 [0,2,0,0,0,0|1,1,0]=4 589 B15R1.3465 O=C(CC(F)(F)F)NCC1=NC=CC=C1 Z316418942 [0,2,0,0,0,0|1,1,0]=4 590 B13R2.15 O[C@@H]1CCN[C@@H]1C2=CC=CC=C2 Z4203073787 [1,0,0,1,0,0|1,0,1]=4 591 B13R2.64 C1=CC=C(C=C1)CN2CCCC2 Z54750390 [1,0,0,1,0,0|1,0,1]=4 592 B13R2.67 C1=CC2=C(C=C1)CNCCCC2 Z1262564835 [1,0,0,1,0,0|1,0,1]=4 593 B13R2.1613 CCC1CNCC2=C1C=CC=C2 Z3241258832 [1,0,0,1,0,0|1,0,1]=4 594 B13R2.1613 OCC1CNCC2=C1C=CC=C2 Z2310716062 [1,0,0,1,0,0|1,0,1]=4 595 B13R2.2383 C1=CC=C(C=C1)CNC2CCC2 Z3013892395 [1,0,0,1,0,0|1,0,1]=4 596 B13R2.10 NC1=NCC(N1)C2=CC=CC=C2 Z4461628926 [1,0,0,1,0,0|2,0,0]=4 597 B13R2.10 O=C1C=C(CC1)C2=CC=CC=C2 Z1255492482 [1,0,0,1,0,0|1,0,1]=4 598 B13R2.10 O=C1CC(CN1)C2=CC=CC=C2 Z954601980 [1,0,0,1,0,0|2,0,0]=4 599 B13R2.10 O=C1CC(CO1)C2=CC=CC=C2 Z1551943626 [1,0,0,1,0,0|2,0,0]=4 600 B13R2.10 O=C1CCN(C1)C2=CC=CC=C2 Z234894137 [1,0,0,1,0,0|2,0,0]=4 601 B13R2.10 O=C1CCN(N1)C2=CC=CC=C2 Z104472448 [1,0,0,1,0,0|1,0,0]=3 602 B13R2.10 O=C1NC(CO1)C2=CC=CC=C2 Z57199626 [1,0,0,1,0,0|1,0,0]=3 603 B13R2.10 O=C1NCC(N1)C2=CC=CC=C2 Z1255433877 [1,0,0,1,0,0|1,0,0]=3 604 B13R2.32 NC1C(=O)NCC2=C1C=CC=C2 Z3241255328 [1,0,0,1,0,0|1,0,0]=3 605 B13R2.33 O=C1CCC2=C(C=CC=C2)CC1 Z2235810278 [1,0,0,1,0,0|1,0,0]=3 606 B13R2.33 O=C1CCC2=C(C=CC=C2)CN1 Z1198153747 [1,0,0,1,0,0|0,0,0]=2 607 B13R2.57 CCC1CC2=C(C=CC=C2)CN1 Z979717460 [1,0,0,1,0,0|1,0,1]=4 608 B13R2.57 NCC1=NC2=C(C=CC=C2)CN1 Z1250132657 [1,0,0,1,0,0|2,0,0]=4 609 B13R2.373 CC1C(=O)CC1C2=CC=CC=C2 Z1436543792 [1,0,0,1,0,0|1,0,0]=3 610 B13R2.373 CC1C(=O)NC1C2=CC=CC=C2 Z1267861070 [1,0,0,1,0,0|0,0,0]=2 611 B13R2.26 CCCC1=NC2=C(N1)C=CC=C2 Z55692902 [0,0,0,1,1,0|2,0,0]=4 612 B13R2.26 NCCC1=CC2=C(N1)C=CC=C2 Z1198165410 [0,0,0,1,1,0|2,0,0]=4 613 B13R2.26 NCCC1=NC2=C(N1)C=CC=C2 Z90666847 [0,0,0,1,1,0|2,0,0]=4 614 B13R2.26 OCCC1=CC2=C(N1)C=CC=C2 Z1198729419 [0,0,0,1,1,0|2,0,0]=4 615 B13R2.26 OCCC1=NC2=C(N1)C=CC=C2 Z566213566 [0,0,0,1,1,0|2,0,0]=4 616 B13R2.135 CCC1C(=O)NC2=C1C=CC=C2 Z1201625783 [0,0,0,1,1,0|1,0,0]=3 617 B13R2.135 CCN1C(=O)NC2=C1C=CC=C2 Z57114989 [0,0,0,1,1,0|2,0,0]=4 618 B13R2.135 N#CC1C(=O)CC2=C1C=CC=C2 Z1255395378 [0,0,0,1,1,0|1,0,1]=4 619 B13R2.163 O=C1CCCC2=C(C1)C=CC=C2 Z1255446913 [0,0,0,1,1,0|1,0,0]=3 620 B13R2.163 O=C1CCCC2=C(N1)C=CC=C2 Z362764922 [0,0,0,1,1,0|1,0,0]=3 621 B13R2.163 O=C1CCCC2=C(N1)C=CC=N2 Z1216823228 [0,0,0,1,1,0|2,0,0]=4 622 B13R2.163 O=C1CCNC2=C(N1)C=CC=C2 Z57069349 [0,0,0,1,1,0|1,0,0]=3 623 B13R2.163 O=C1CCNC2=C(N1)C=CC=N2 Z1142665805 [0,0,0,1,1,0|2,0,0]=4 624 B13R2.163 O=C1CCOC2=C(N1)C=CC=C2 Z424764630 [0,0,0,1,1,0|1,0,0]=3 625 B13R2.163 O=C1CCSC2=C(N1)C=CC=C2 Z99598958 [0,0,0,1,1,0|1,0,0]=3 626 B13R2.163 O=C1CSCC2=C(N1)C=CC=C2 Z1198161340 [0,0,0,1,1,0|2,0,0]=4 627 B13R2.328 CC1CC(=O)NC2=C1C=CC=C2 Z1198279631 [0,0,0,1,1,0|1,0,0]=3 628 B13R2.328 O=C1C=C(C2=C(N1)C=CC=C2)Cl Z3227104016 [0,0,0,1,1,0|0,0,2]=4 629 B13R2.444 O=C(CC1=CC=CC=C1)C2CC2 Z513735694 [0,0,0,1,1,0|1,0,0]=3 630 B13R2.444 O=C(CC1=NC=CC=C1)C2CC2 Z361879418 [0,0,0,1,1,0|2,0,0]=4 631 B13R2.444 O=C(NC1=CC=CC=C1)C2CC2 Z27782662 [0,0,0,1,1,0|1,0,0]=3 632 B13R2.444 O=C(NC1=NC=CC=C1)C2CC2 Z85526827 [0,0,0,1,1,0|2,0,0]=4 633 B13R2.6970 O=C(NCC1=CC=CS1)C2CC2 Z29693757 [0,0,0,1,1,0|2,0,0]=4 634 B15R2.31 O=C1CCCN(C1)CC2=CC=CC=C2 Z381430294 [0,0,0,1,0,1|1,0,0]=3 635 B15R2.31 O=C1CN(CCN1)CC2=CC=CC=C2 Z46334767 [0,0,0,1,0,1|2,0,0]=4 636 B15R2.31 O=C1COCC(N1)CC2=CC=CC=C2 Z1509178975 [0,0,0,1,0,1|2,0,0]=4 637 B15R2.55 O=C1CCCC1CCC2=CC=CC=C2 Z993018198 [0,0,0,1,0,1|2,0,0]=4 638 B15R2.73 CCCC(=O)N1CCC2=C1C=CC=C2 Z30624411 [0,0,0,1,0,1|1,0,0]=3 639 B15R2.73 COCC(=O)N1CCC2=C1C=CC=C2 Z32329930 [0,0,0,1,0,1|2,0,0]=4 640 B15R2.73 CSCC(=O)N1CCC2=C1C=CC=C2 Z30623717 [0,0,0,1,0,1|2,0,0]=4 641 B15R2.73 O=C(CCCl)N1CCC2=C1C=CC=C2 Z217707220 [0,0,0,1,0,1|0,0,0]=2 642 B15R2.325 CC1CC(=O)CN1CC2=CC=CC=C2 Z1386896522 [0,0,0,1,0,1|1,0,0]=3 643 B15R2.325 O=C1CC(=O)N(C1)CC2=CC=CC=C2 Z1331290820 [0,0,0,1,0,1|1,0,1]=4 644 B15R2.16438 O=C(NCCC1=NC=CC=C1)C2CC2 Z32446113 [0,0,0,1,0,1|2,0,0]=4 645 B15R2.16438 O=C(NOCC1=CC=CC=C1)C2CC2 Z101955162 [0,0,0,1,0,1|1,0,0]=3 646 B15R2.27 CC1CC(=O)CC(C1)C2=CC=CC=C2 Z1251357884 [0,1,0,1,0,0|2,0,0]=4 647 B15R2.543 O=C1CC(NCCN1)C2=CC=CC=C2 Z431564442 [0,1,0,1,0,0|2,0,0]=4 648 B15R2.543 O=C1CCCCC(C1)C2=CC=CC=C2 Z1233209527 [0,1,0,1,0,0|2,0,0]=4 649 B15R2.1113 CC1(COCC(=O)N1)C2=CC=CC=C2 Z1551950376 [0,1,0,1,0,0|2,0,0]=4 650 B15R2.41154 CC(NC(=O)C1CC1)C2=CC=CC=C2 Z31450145 [0,1,0,1,0,0|1,0,0]=3 651 B15R2.41154 CC(NC(=O)C1CC1)C2=CN=CC=C2 Z220996120 [0,1,0,1,0,0|2,0,0]=4 652 B15R2.30 NC1=CC(=CC=C1)C2CCCC(=O)N2 Z2754870257 [0,1,0,1,0,0|1,0,0]=3 653 B15R2.30 O=C1CCCC(C1)C2=CC=CC(=C2)Cl Z1233207245 [0,1,0,1,0,0|2,0,0]=4 654 B15R2.334 O=C1CC(=O)C(N1)C2=CC=CC(=C2)Br Z2489420077 [0,1,0,1,0,0|1,0,1]=4 655 B15R2.335 NC1=CC(=CC=C1)CN2CCOC2=O Z323040266 [0,1,0,1,0,0|2,0,0]=4 656 B15R2.335 O=C1NCCN1CC2=CC=CC(=C2)Cl Z1269153625 [0,1,0,1,0,0|2,0,0]=4 657 B15R2.15389 CC1=CC(=CC=C1)CNC(=O)C2CC2 Z306500504 [0,1,0,1,0,0|1,0,0]=3 658 B15R2.38 O=C1CCNCC1CC2=CC=CC=C2 Z3247606789 [0,1,0,1,0,0|2,0,0]=4 659 B15R2.38 O=C1NCCCC1CC2=CC=CC=C2 Z1255379456 [0,1,0,1,0,0|2,0,0]=4 660 B15R2.38 O=C1NCCCN1CC2=CC=CC=C2 Z1255447124 [0,1,0,1,0,0|1,0,0]=3 661 B15R2.38 O=C1NCCNC1CC2=CC=CC=C2 Z2238934540 [0,1,0,1,0,0|2,0,0]=4 662 B15R2.38 O=C1NCCSC1CC2=CC=CC=C2 Z1258578706 [0,1,0,1,0,0|2,0,0]=4 663 B15R2.323 CN1C(=O)C[C@@H]([C@H]1C2=CC=CC=C2)N Z4450203711 [0,1,0,1,0,0|1,0,0]=3 664 B15R2.323 CN1C(=O)C[C@@H]([C@H]1C2=CN=CC=C2)N Z2412194377 [0,1,0,1,0,0|2,0,0]=4 665 B15R2.16454 CN(CC1=CC=CC=C1)C(=O)C2CC2 Z27745528 [0,1,0,1,0,0|1,0,0]=3 666 B15R2.16454 CN(CC1=CN=CC=C1)C(=O)C2CC2 Z27006591 [0,1,0,1,0,0|2,0,0]=4 667 B15R2.33 CN1CCC(=O)CC1C2=CC=CC=C2 Z1198183724 [0,1,0,1,0,0|2,0,0]=4 668 B15R2.33 N[C@@H]1CCC(=O)N[C@H]1C2=CC=CC=C2 Z1262629795 [0,1,0,1,0,0|1,0,0]=3 669 B15R2.355 CC1CCC(=O)N1CC2=CC=CC=C2 Z1375775983 [0,1,0,1,0,0|1,0,0]=3 670 B15R2.355 O=C1CN=C(N1CC2=CC=CC=C2)S Z90121775 [0,1,0,1,0,0|1,0,1]=4 671 B15R2.355 O=C1CNC(=O)N1CC2=CC=CC=C2 Z18358103 [0,1,0,1,0,0|1,0,1]=4 672 B15R2.355 O=C1CSC(=S)N1CC2=CC=CC=C2 Z56883485 [0,1,0,1,0,0|1,0,1]=4 673 B15R2.505 CC1CC1C(=O)NCC2=CC=CC=C2 Z27749684 [0,1,0,1,0,0|1,0,0]=3 674 B15R2.505 CC1CC1C(=O)NCC2=CC=NC=C2 Z30168757 [0,1,0,1,0,0|2,0,0]=4 675 B15R2.9941 O=C1NCC2=C(N1CCO)C=CC=C2 Z1127315179 [0,1,0,1,0,0|1,0,0]=3 676 B15R2.24490 O=C(CCC1=CC=CC=C1)N2CCC2 Z69031669 [0,1,0,1,0,0|2,0,0]=4 677 B15R2.24490 O=C(NCC1=CC=CC=C1)C2CCC2 Z27749621 [0,1,0,1,0,0|1,0,0]=3 678 B15R2.24490 O=C(OCC1=CC=CC=C1)N2CCC2 Z117067568 [0,1,0,1,0,0|2,0,0]=4 679 B15R2.24494 O=C(NCC1=NC=CC=C1)NC2CC2 Z177090584 [0,1,0,1,0,0|2,0,0]=4 680 B15R2.28 O=C1CCCC(N1)C2=CC=C(C=C2)Br Z2733524040 [0,1,0,1,0,0|1,0,0]=3 681 B15R2.28 O=C1CCCC(N1)C2=CC=C(C=C2)O Z2732663057 [0,1,0,1,0,0|1,0,0]=3 682 B15R2.1510 NC1=CC=C(C=C1)CN2CCCC2=O Z239948878 [0,1,0,1,0,0|1,0,0]=3 683 B15R2.1510 NC1=CC=C(C=C1)CN2CCOC2=O Z323040094 [0,1,0,1,0,0|2,0,0]=4 684 B15R2.1530 CC1=CC=C(C=C1)CNC(=O)C2CC2 Z28429448 [0,1,0,1,0,0|1,0,0]=3 685 B15R2.1530 CC1=NC=C(C=C1)CNC(=O)C2CC2 Z437516054 [0,1,0,1,0,0|2,0,0]=4 686 B15R2.1530 NC1=NC=C(C=C1)CNC(=O)C2CC2 Z2256106921 [0,1,0,1,0,0|2,0,0]=4 687 B15R2.1530 O=C(NCC1=CC=C(C=C1)F)C2CC2 Z26779776 [0,1,0,1,0,0|1,0,0]=3 688 B15R2.359 NC1=C(C=CC=C1)CN2CCCC2=O Z802665956 [0,1,0,1,0,0|1,0,0]=3 689 B15R2.359 NC1=C(C=CC=C1)CN2CCNC2=O Z285171230 [0,1,0,1,0,0|2,0,0]=4 690 B15R2.359 O=C1CCCN1CC2=C(C=CC=C2)Br Z818730890 [0,1,0,1,0,0|1,0,0]=3 691 B15R2.359 O=C1NCCN1CC2=C(C=CC=C2)F Z1201628475 [0,1,0,1,0,0|2,0,0]=4 692 B15R2.7455 CC1=C(C=CC=C1)CNC(=O)C2CC2 Z52337436 [0,1,0,1,0,0|1,0,0]=3 693 B15R2.7455 O=C(NCC1=C(C=CC=C1)F)C2CC2 Z29857798 [0,1,0,1,0,0|1,0,0]=3 694 B15R2.4083 NC1CCN(C1=O)CC2=CC=CC=C2 Z825515492 [0,1,0,1,0,0|1,0,0]=3 695 B15R2.4083 O=C1CCN(C1=O)CC2=CC=CC=C2 Z825513092 [0,1,0,1,0,0|1,0,1]=4 696 B15R3.485 O=C1N[C@@H]2[C@H]1CCC3=C2C=CC=C3 Z2306875681 [0,0,0,2,0,0|1,0,0]=3 697 B15R3.4266 C1=CC2=C(C=C1)N=C3CCCN3C2 Z2295423882 [0,0,0,2,0,0|2,0,0]=4 698 B11R1.25 CCC(=O)NCC1=CC=CO1 Z31407962 [1,0,0,0,1,0|1,0,0]=3 699 B11R1.25 CCC(=O)NCC1=CC=CS1 Z29693741 [1,0,0,0,1,0|1,0,0]=3 700 B11R1.25 NCC(=O)NCC1=CC=CO1 Z850542566 [1,0,0,0,1,0|2,0,0]=4 701 B11R1.25 O=C(CCl)NCC1=CC=CO1 Z56891404 [1,0,0,0,1,0|1,0,0]=3 702 B11R1.25 O=C(CCl)NCC1=CC=CS1 Z56851249 [1,0,0,0,1,0|1,0,0]=3 703 B11R1.40 C#CC(=O)CC1=CC=CC=C1 Z1266856334 [1,0,0,0,1,0|0,0,2]=4 704 B11R1.40 C=CC(=O)NC1=CC=CC=C1 Z440633536 [1,0,0,0,1,0|0,0,2]=4 705 B11R1.40 CCC(=O)CC1=CN=CC=C1 Z992407884 [1,0,0,0,1,0|1,0,0]=3 706 B11R1.40 CCC(N)CC1=CC=CC=C1 Z431980016 [1,0,0,0,1,0|1,0,1]=4 707 B11R1.40 CCC(O)CC1=CC=CC=C1 Z513749284 [1,0,0,0,1,0|0,0,2]=4 708 B11R1.40 CC[C@@H](O)CC1=CC=CC=C1 Z1262397064 [1,0,0,0,1,0|0,0,2]=4 709 B11R1.40 CC[C@H](O)CC1=CC=CC=C1 Z1262397065 [1,0,0,0,1,0|0,0,2]=4 710 B11R1.40 CNC(=O)NC1=CC=CC=C1 Z55293754 [1,0,0,0,1,0|1,0,0]=3 711 B11R1.40 CNC(=S)NC1=CC=CC=C1 Z45796176 [1,0,0,0,1,0|1,1,0]=4 712 B11R1.40 COC(=O)CC1=CC=NC=C1 Z331473808 [1,0,0,0,1,0|2,0,0]=4 713 B11R1.40 COC(=O)CC1=NC=CC=C1 Z147652450 [1,0,0,0,1,0|2,0,0]=4 714 B11R1.40 NCC(=O)CC1=CC=CC=C1 Z1569708978 [1,0,0,0,1,0|1,0,0]=3 715 B11R1.40 NCC(=O)NC1=CC=CC=C1 Z594413794 [1,0,0,0,1,0|1,0,0]=3 716 B11R1.40 NCC(=O)NC1=CC=NC=C1 Z1459449301 [1,0,0,0,1,0|2,0,0]=4 717 B11R1.40 NCC(=O)NC1=NC=CC=C1 Z1459449767 [1,0,0,0,1,0|2,0,0]=4 718 B11R1.40 NNC(=O)CC1=CC=CC=C1 Z56867310 [1,0,0,0,1,0|2,0,0]=4 719 B11R1.40 NNC(=O)NC1=CC=CC=C1 Z56855648 [1,0,0,0,1,0|2,0,0]=4 720 B11R1.40 O=C(CCl)CC1=CC=CC=C1 Z164706024 [1,0,0,0,1,0|0,0,0]=2 721 B11R1.40 O=C(CCl)NC1=CC=CC=C1 Z56889119 [1,0,0,0,1,0|0,0,0]=2 722 B11R1.40 O=C(CCl)NC1=CC=NC=C1 Z2238905122 [1,0,0,0,1,0|1,0,0]=3 723 B11R1.40 O=C(CCl)NC1=CN=CC=C1 Z1558574655 [1,0,0,0,1,0|1,0,0]=3 724 B11R1.40 O=C(CCl)NC1=NC=CC=C1 Z2753743270 [1,0,0,0,1,0|1,0,0]=3 725 B11R1.40 O=C(CCl)NC1=NC=CC=N1 Z56887599 [1,0,0,0,1,0|2,0,0]=4 726 B11R1.40 O=C(CCl)NC1=NN=CC=C1 Z2940609444 [1,0,0,0,1,0|2,0,0]=4 727 B11R1.40 O=C(CO)NC1=CC=CC=C1 Z228585444 [1,0,0,0,1,0|1,0,0]=3 728 B11R1.16 CCCC(=O)C1=CC=CC=C1 Z104477742 [0,0,0,0,2,0|1,0,0]=3 729 B11R1.16 CCCC(=O)C1=CN=CC=C1 Z513733856 [0,0,0,0,2,0|2,0,0]=4 730 B11R1.16 CCCC(=O)C1=NC=CC=C1 Z513733774 [0,0,0,0,2,0|2,0,0]=4 731 B11R1.16 CCOC(=O)C1=CC=CC=C1 Z53835169 [0,0,0,0,2,0|2,0,0]=4 732 B11R1.16 CSCC(=O)C1=CC=CC=C1 Z732208586 [0,0,0,0,2,0|2,0,0]=4 733 B11R1.16 N#CCC(=O)C1=CC=CC=C1 Z56899088 [0,0,0,0,2,0|1,0,1]=4 734 B11R1.16 NCCS(=O)C1=CC=CC=C1 Z1266854955 [0,0,0,0,2,0|2,0,0]=4 735 B11R1.16 O=C(CCCl)C1=CC=CC=C1 Z1065610596 [0,0,0,0,2,0|0,0,0]=2 736 B11R1.16 O=C(NCO)C1=CC=CC=C1 Z56799838 [0,0,0,0,2,0|2,0,0]=4 737 B11R1.16 O=S(CCCl)C1=CC=CC=C1 Z421771494 [0,0,0,0,2,0|1,0,0]=3 738 B11R1.16 O[C@@H](CCCl)C1=CC=CC=C1 Z1255427232 [0,0,0,0,2,0|0,0,2]=4 739 B11R1.16 O[C@H](CCCl)C1=CC=CC=C1 Z1255356297 [0,0,0,0,2,0|0,0,2]=4 740 B15R1.778 CCCC(=O)NCC#CC1=CC=CC=C1 Z238138606 [0,0,0,0,0,2|1,0,0]=3 741 B15R1.778 CCCC(=O)NCCCC1=CC=CC=C1 Z26437178 [0,0,0,0,0,2|1,0,0]=3 742 B15R1.778 CCCC(=O)NCCOC1=CC=CC=C1 Z27499674 [0,0,0,0,0,2|1,0,0]=3 743 B15R1.778 COCC(=O)NCC#CC1=CC=CC=C1 Z238143514 [0,0,0,0,0,2|2,0,0]=4 744 B15R1.778 COCC(=O)NCCSC1=CC=CC=C1 Z102431856 [0,0,0,0,0,2|2,0,0]=4 745 B15R1.778 CSCC(=O)NCCCC1=CC=CC=C1 Z26436449 [0,0,0,0,0,2|2,0,0]=4