0 B10R1.17 C#CCNc1ccccc1 DA-44583 [0,0,0,0,0,0|2,0,2]=4 1 B10R1.17 CCC#Cc1ccccc1 DA-23884 [0,0,0,0,0,0|1,0,2]=3 2 B10R1.17 c1ccc(cc1)C=CCCl DA-32036 [0,0,0,0,0,0|1,0,0]=1 3 B10R1.17 c1ccnc(c1)NCCN DA-39978 [0,0,0,0,0,0|3,0,1]=4 4 B9R1.8 c1c(cncn1)CCO DA-40983 [1,0,0,0,0,0|2,0,1]=4 5 B9R1.8 c1ccc(cc1)CNN DA-35038 [1,0,0,0,0,0|2,0,1]=4 6 B11R1.1 Cc1ccc(cc1)C=CCBr DA-31249 [0,1,0,0,0,0|1,0,0]=2 7 B11R1.1 c1cc(ccc1C=CCBr)Cl DA-31250 [0,1,0,0,0,0|1,0,0]=2 8 B11R1.1 c1cc(ccc1NCCN)Cl DA-45241 [0,1,0,0,0,0|2,0,1]=4 9 B11R1.1 c1cc(ccc1OCCN)Br DA-28297 [0,1,0,0,0,0|2,0,1]=4 10 B11R1.1 c1cc(ncc1N)NCCO DA-42323 [0,1,0,0,0,0|2,0,1]=4 11 B11R1.16 CCCC(c1ccccc1)Br DA-32217 [0,1,0,0,0,0|1,0,2]=4 12 B11R1.17 CCCNc1ccccc1Br DA-26719 [0,1,0,0,0,0|2,0,1]=4 13 B11R1.17 CCCOc1ccccc1N DA-25688 [0,1,0,0,0,0|2,0,1]=4 14 B11R1.17 COC=Cc1cccnc1Br DA-26908 [0,1,0,0,0,0|3,0,0]=4 15 B11R1.17 Cc1ccccc1C=CCBr DA-31253 [0,1,0,0,0,0|1,0,0]=2 16 B11R1.17 Cc1ccccc1CCCO DA-25812 [0,1,0,0,0,0|0,0,2]=3 17 B11R1.17 Cc1cccnc1CCCO DA-23373 [0,1,0,0,0,0|1,0,2]=4 18 B11R1.17 c1ccc(c(c1)C=CCBr)Cl DA-31254 [0,1,0,0,0,0|1,0,0]=2 19 B11R1.17 c1ccc(c(c1)N)OCCO DA-28688 [0,1,0,0,0,0|1,0,1]=3 20 B11R1.17 c1ccc(c(c1)OCCBr)Cl DA-31464 [0,1,0,0,0,0|2,0,1]=4 21 B11R1.24 CCCCc1cccc(c1)Br DA-29659 [0,1,0,0,0,0|1,0,2]=4 22 B11R1.24 CCCNc1cccc(c1)Br DA-23897 [0,1,0,0,0,0|2,0,1]=4 23 B11R1.24 Cc1cccc(c1)C=CCBr DA-31251 [0,1,0,0,0,0|1,0,0]=2 24 B11R1.24 Cc1cccc(c1)OCCBr DA-31462 [0,1,0,0,0,0|2,0,1]=4 25 B11R1.24 c1cc(cc(c1)Br)CCCN DA-25559 [0,1,0,0,0,0|1,0,2]=4 26 B11R1.24 c1cc(cc(c1)Br)OCCCl DA-29673 [0,1,0,0,0,0|2,0,1]=4 27 B11R1.24 c1cc(cc(c1)Cl)C=CCBr DA-31252 [0,1,0,0,0,0|1,0,0]=2 28 B11R1.24 c1cc(cc(c1)Cl)OCCBr DA-31463 [0,1,0,0,0,0|2,0,1]=4 29 B11R1.24 c1cc(cc(c1)OCCCl)N DA-25378 [0,1,0,0,0,0|2,0,1]=4 30 B11R1.24 c1cc(nc(c1)Br)CCCO DA-36466 [0,1,0,0,0,0|1,0,2]=4 31 B11R1.24 c1cnc(cc1NCCO)N DA-27050 [0,1,0,0,0,0|2,0,1]=4 32 B11R1.24 c1cnc(cc1OCCO)N DA-27049 [0,1,0,0,0,0|2,0,1]=4 33 B11R1.28 C#CCOCc1ccccc1 DA-31825 [0,1,0,0,0,0|2,0,1]=4 34 B11R1.28 CNCC=Cc1ccccc1 DA-41977 [0,1,0,0,0,0|1,0,0]=2 35 B11R1.28 c1ccc(cc1)OCCCN DA-23258 [0,1,0,0,0,0|1,0,2]=4 36 B11R1.91 CC(=CCc1ccccc1)C DA-32020 [0,1,0,0,0,0|1,0,2]=4 37 B11R1.91 c1c(cncn1)C=CC(=O)O DA-25070 [0,1,0,0,0,0|2,0,1]=4 38 B11R2.1 CC1COc2c1cccc2 DA-27551 [0,0,0,1,0,0|2,0,1]=4 39 B11R2.1 c1cc2c(ccn2N)nc1 DA-29330 [0,0,0,1,0,0|3,0,0]=4 40 B11R2.1 c1cc2ccn(c2nc1)N DA-29336 [0,0,0,1,0,0|3,0,0]=4 41 B11R2.1 c1cncc2c1ccn2N DA-29331 [0,0,0,1,0,0|3,0,0]=4 42 B11R2.20 c1cc2c(nc1)CCN=C2 DA-35858 [0,0,0,1,0,0|3,0,0]=4 43 B9R1.12 c1cc(oc1)CCCO DA-26189 [0,0,0,0,1,0|1,0,2]=4 44 B10R1.1 Cc1ccc(nc1)CCO DA-37120 [1,1,0,0,0,0|1,0,1]=4 45 B10R1.1 c1cc(ccc1CCCl)I DA-31416 [1,1,0,0,0,0|1,0,1]=4 46 B10R1.1 c1cc(ccc1N)OCF DA-45699 [1,1,0,0,0,0|2,0,0]=4 47 B10R1.4 C=CCc1ccccc1Br DA-29692 [1,1,0,0,0,0|0,0,2]=4 48 B10R1.4 c1ccc(c(c1)CCCl)F DA-31423 [1,1,0,0,0,0|1,0,1]=4 49 B10R1.10 C=CCc1cccc(c1)Br DA-29840 [1,1,0,0,0,0|0,0,2]=4 50 B10R1.10 C=CCc1cccc(c1)O DA-24348 [1,1,0,0,0,0|0,0,2]=4 51 B10R1.10 CCCc1cccc(c1)Br DA-29653 [1,1,0,0,0,0|0,0,2]=4 52 B10R1.10 Cc1cccc(c1)CCO DA-23326 [1,1,0,0,0,0|0,0,1]=3 53 B10R1.10 Cc1cccc(n1)CCO DA-36020 [1,1,0,0,0,0|1,0,1]=4 54 B10R1.10 c1cc(cc(c1)Cl)CCBr DA-41786 [1,1,0,0,0,0|1,0,1]=4 55 B10R1.10 c1cc(cc(c1)Cl)CCCl DA-29568 [1,1,0,0,0,0|1,0,1]=4 56 B10R1.10 c1cc(cc(c1)Cl)CCO DA-23731 [1,1,0,0,0,0|0,0,1]=3 57 B10R1.10 c1cc(cc(c1)I)CCO DA-23505 [1,1,0,0,0,0|0,0,1]=3 58 B10R1.15 CNC(=N)c1ccccc1 DA-42718 [1,1,0,0,0,0|1,0,0]=3 59 B10R1.15 COC(=N)c1cccnc1 DA-42038 [1,1,0,0,0,0|2,0,0]=4 60 B10R1.18 C=C(Cc1ccccc1)Br DA-32140 [1,1,0,0,0,0|0,0,2]=4 61 B10R1.18 CC(=N)Nc1ccccc1 DA-44930 [1,1,0,0,0,0|1,0,0]=3 62 B12R1.16 CCNC(=O)c1ccc(cc1)I DA-47789 [0,2,0,0,0,0|2,0,0]=4 63 B12R1.16 CCOC(=N)c1ccc(cc1)Cl DA-33891 [0,2,0,0,0,0|2,0,0]=4 64 B12R1.16 CN(CCO)c1ccc(cc1)Br DA-27624 [0,2,0,0,0,0|1,0,1]=4 65 B12R1.71 c1cc(ccc1C=CC=O)C#N DA-22668 [0,2,0,0,0,0|0,0,2]=4 66 B12R1.385 c1cc(c(cc1CCCO)Cl)Cl DA-24763 [0,2,0,0,0,0|0,0,2]=4 67 B12R1.30 c1ccc(cc1)C(=O)NCCO DA-43410 [0,2,0,0,0,0|0,0,1]=3 68 B12R1.34 c1ccc(cc1)C(=O)C(=O)CBr DA-24072 [0,2,0,0,0,0|1,0,0]=3 69 B12R1.107 CC(C)NC(=N)c1ccccc1 DA-42163 [0,2,0,0,0,0|2,0,0]=4 70 B12R1.308 CCCC(=O)c1ccccc1Br DA-31450 [0,2,0,0,0,0|1,0,1]=4 71 B12R1.121 CCc1ccccc1CCCO DA-26222 [0,2,0,0,0,0|0,0,2]=4 72 B12R1.267 COCCNc1ccccc1N DA-42077 [0,2,0,0,0,0|1,0,1]=4 73 B12R1.1631 Cc1cccc(c1CCCO)C DA-27092 [0,2,0,0,0,0|0,0,2]=4 74 B12R1.1631 c1cc(c(c(c1)Cl)CCCO)Cl DA-27124 [0,2,0,0,0,0|0,0,2]=4 75 B12R1.8 c1ccc(cc1)CNCCCO DA-23282 [0,2,0,0,0,0|0,0,2]=4 76 B12R1.27 CC(CO)OCc1ccccc1 DA-28973 [0,2,0,0,0,0|0,0,2]=4 77 B12R1.27 COC(CCc1ccccc1)Cl DA-32035 [0,2,0,0,0,0|0,0,2]=4 78 B12R1.27 c1ccc(cc1)CCC(CN)O DA-29820 [0,2,0,0,0,0|0,0,2]=4 79 B12R1.252 c1ccc(cc1)C=CCC(=N)N DA-38990 [0,2,0,0,0,0|1,0,0]=3 80 B12R1.43 c1cnccc1\C=C(\C(=O)O)/O DA-31830 [0,2,0,0,0,0|1,0,1]=4 81 B12R1.891 c1ccc(cc1)C=CS(=O)(=O)N DA-25700 [0,2,0,0,0,0|1,0,1]=4 82 B10R1.30 Cc1ccc(c(c1)CO)Br DA-26775 [0,0,1,1,0,0|1,0,1]=4 83 B10R1.30 Cc1ccc(cc1CO)Br DA-37813 [0,0,1,1,0,0|1,0,1]=4 84 B10R1.30 Cc1ccc(cc1CO)I DA-46553 [0,0,1,1,0,0|1,0,1]=4 85 B10R1.30 c1cc(c(cc1I)CO)Br DA-26783 [0,0,1,1,0,0|2,0,0]=4 86 B10R1.30 c1cc(c(cc1I)CO)Cl DA-26462 [0,0,1,1,0,0|2,0,0]=4 87 B10R1.30 c1cc(c(cc1I)CO)F DA-42442 [0,0,1,1,0,0|2,0,0]=4 88 B10R1.30 c1cc(c(cc1N)CO)Br DA-38046 [0,0,1,1,0,0|2,0,0]=4 89 B10R1.30 c1cc(c(cc1N)CO)O DA-38038 [0,0,1,1,0,0|2,0,0]=4 90 B10R1.30 c1cc(c(cc1O)CO)Br DA-28941 [0,0,1,1,0,0|2,0,0]=4 91 B10R1.172 C#Cc1cccc(c1)CO DA-48071 [0,0,1,1,0,0|0,0,2]=4 92 B10R1.172 C=Cc1cccc(n1)CO DA-43984 [0,0,1,1,0,0|1,0,0]=3 93 B10R1.172 CSc1cccc(c1)CO DA-32074 [0,0,1,1,0,0|1,0,1]=4 94 B10R1.172 c1cnc(cc1CO)C=O DA-22193 [0,0,1,1,0,0|2,0,0]=4 95 B10R2.6 c1cc(cnc1)C2CO2 DA-25327 [1,0,0,1,0,0|1,0,1]=4 96 B10R2.6 c1ccnc(c1)C2CO2 DA-28571 [1,0,0,1,0,0|1,0,1]=4 97 B12R2.24 Cc1ccc2c(c1)CCN=C2 DA-24705 [0,1,0,1,0,0|2,0,0]=4 98 B12R2.24 c1cc2c(cc1I)C=NCC2 DA-24703 [0,1,0,1,0,0|2,0,0]=4 99 B12R2.24 c1cc2c(cc1N)C=NCC2 DA-24702 [0,1,0,1,0,0|2,0,0]=4 100 B12R2.24 c1ccc2c(c1)CC(=O)CS2 DA-26187 [0,1,0,1,0,0|0,1,1]=4 101 B12R2.24 c1ccc2c(c1)CC(CO2)N DA-34980 [0,1,0,1,0,0|0,0,2]=4 102 B12R2.132 Cn1ccc2c1cc(cc2)F DA-36960 [0,1,0,1,0,0|2,0,0]=4 103 B12R2.132 c1cc2c(cc1Cl)C(CO2)O DA-42089 [0,1,0,1,0,0|1,0,1]=4 104 B12R2.2 c1cc(oc1)c2ccncc2 DA-42096 [0,1,0,1,0,0|1,0,1]=4 105 B12R2.2 c1ccc(cc1)C2=CCCN2 DA-40003 [0,1,0,1,0,0|1,0,0]=3 106 B12R2.2 c1ccc(cc1)C2OCCO2 DA-40371 [0,1,0,1,0,0|0,0,2]=4 107 B12R2.22 c1ccc(cc1)N2CC(C2)O DA-29105 [0,1,0,1,0,0|1,0,1]=4 108 B12R2.1081 c1cc2ccncc2c(c1)I DA-35434 [0,1,0,1,0,0|2,0,0]=4 109 B12R2.1081 c1ccc2c(c1)C(CCO2)Cl DA-39551 [0,1,0,1,0,0|0,0,2]=4 110 B12R2.1081 c1ccc2c(c1)COCC2O DA-33516 [0,1,0,1,0,0|0,0,2]=4 111 B12R2.1081 c1ccc2c(c1)ccnc2F DA-29377 [0,1,0,1,0,0|1,0,1]=4 112 B12R2.1081 c1ccc2c(c1)ccnc2I DA-29296 [0,1,0,1,0,0|1,0,1]=4 113 B12R2.2028 c1ccc2c(c1)C(CC2=O)N DA-24334 [0,1,0,1,0,0|1,0,1]=4 114 B12R2.32 CNc1cc2ccccc2[nH]1 DA-41842 [0,1,0,1,0,0|2,0,0]=4 115 B12R2.32 c1cc2c(cc([nH]2)CN)nc1 DA-29328 [0,1,0,1,0,0|2,0,0]=4 116 B12R2.32 c1cc2c(cc(s2)CCl)nc1 DA-27762 [0,1,0,1,0,0|2,0,0]=4 117 B12R2.32 c1cc2c(cc(s2)CN)nc1 DA-46123 [0,1,0,1,0,0|2,0,0]=4 118 B12R2.32 c1cc2c(cc(s2)CO)nc1 DA-40310 [0,1,0,1,0,0|1,0,0]=3 119 B12R2.32 c1cc2cc([nH]c2nc1)CN DA-29334 [0,1,0,1,0,0|2,0,0]=4 120 B12R2.32 c1cc2cc(sc2nc1)CCl DA-27763 [0,1,0,1,0,0|2,0,0]=4 121 B12R2.32 c1cc2cc(sc2nc1)CN DA-40397 [0,1,0,1,0,0|2,0,0]=4 122 B12R2.32 c1ccc2c(c1)cc(s2)CCl DA-27765 [0,1,0,1,0,0|1,0,0]=3 123 B12R2.32 c1cncc2c1[nH]c(c2)CO DA-29326 [0,1,0,1,0,0|1,0,0]=3 124 B12R2.32 c1cncc2c1sc(c2)CO DA-47177 [0,1,0,1,0,0|1,0,0]=3 125 B12R2.32 c1cncc2c1sc(n2)CO DA-46486 [0,1,0,1,0,0|2,0,0]=4 126 B12R2.196 Cc1cccc2c1ccn2C DA-30216 [0,1,0,1,0,0|2,0,0]=4 127 B12R2.196 c1cc2c(c(c1)Br)OCC2O DA-35795 [0,1,0,1,0,0|1,0,1]=4 128 B12R2.196 c1cc2c(c(c1)O)OCC2O DA-27405 [0,1,0,1,0,0|1,0,1]=4 129 B12R2.612 Cc1ccc2c(c1)ccn2C DA-30178 [0,1,0,1,0,0|2,0,0]=4 130 B12R2.612 Cn1ccc2c1ccc(c2)I DA-38894 [0,1,0,1,0,0|2,0,0]=4 131 B12R2.1 CCc1c[nH]c2c1cccn2 DA-23651 [0,1,0,1,0,0|2,0,0]=4 132 B12R2.1 c1c2c(c(cs2)CO)ncn1 DA-44592 [0,1,0,1,0,0|2,0,0]=4 133 B12R2.1 c1cc2c(c[nH]c2nc1)CO DA-29333 [0,1,0,1,0,0|1,0,0]=3 134 B12R2.1 c1cc2c(csc2nc1)CN DA-46122 [0,1,0,1,0,0|2,0,0]=4 135 B12R2.1 c1ccc2c(c1)c(c[nH]2)CCl DA-24949 [0,1,0,1,0,0|1,0,0]=3 136 B12R2.1 c1ccc2c(c1)c(no2)CO DA-30343 [0,1,0,1,0,0|1,0,0]=3 137 B12R2.18 Cc1cc2ccccc2n1N DA-25960 [0,1,0,1,0,0|2,0,0]=4