0 B12R1.1 COCCOc1ccc(cc1)O AB19320 [1,0,0,0,0,0|3,0,0]=4 1 B12R1.1 c1cc(ccc1CCCCN)O AB07609 [1,0,0,0,0,0|2,0,1]=4 2 B12R1.16 CCNC(=O)c1ccc(cc1)O AB63728 [1,0,0,0,0,0|1,0,0]=2 3 B12R1.16 CCOC(=O)c1ccc(cn1)Br MB01029 [1,0,0,0,0,0|2,0,0]=3 4 B12R1.16 CCOC(=O)c1ccc(nc1)C PB19876 [1,0,0,0,0,0|2,0,0]=3 5 B12R1.16 CCOC(=O)c1ccc(nc1)N AB21186 [1,0,0,0,0,0|2,0,0]=3 6 B12R1.16 CCOC(=O)c1cnc(nc1)C PB32795 [1,0,0,0,0,0|3,0,0]=4 7 B12R1.16 CCOC(=O)c1cnc(nc1)Cl AB53770 [1,0,0,0,0,0|3,0,0]=4 8 B12R1.16 CCOC(=O)c1cnc(nc1)N AB17890 [1,0,0,0,0,0|3,0,0]=4 9 B12R1.16 CCOS(=O)c1ccc(cc1)Cl AB45706 [1,0,0,0,0,0|2,0,0]=3 10 B12R1.16 c1cc(ccc1C(=O)CC#N)Br AB07931 [1,0,0,0,0,0|2,0,1]=4 11 B12R1.16 c1cc(ccc1C(=O)CC#N)I AB18118 [1,0,0,0,0,0|2,0,1]=4 12 B14R1.35 CCOC(=O)C(=O)c1ccc(cc1)Br AB26265 [0,1,0,0,0,0|3,0,0]=4 13 B14R2.933 c1cc(ncc1C(=O)NC2CC2)Br MB14282 [0,0,0,1,0,0|3,0,0]=4 14 B11R1.1 c1cc(ccc1CCCN)O AB07598 [2,0,0,0,0,0|1,0,1]=4 15 B11R1.1 c1cc(ccc1OCCCl)Cl AB13874 [2,0,0,0,0,0|2,0,0]=4 16 B11R1.28 c1ccc(cc1)COCCN AB05315 [2,0,0,0,0,0|1,0,1]=4 17 B11R1.16 CCOC(=O)c1cccnc1 AB00748 [2,0,0,0,0,0|1,0,0]=3 18 B11R1.16 CCOC(=O)c1ccncn1 AB52728 [2,0,0,0,0,0|2,0,0]=4 19 B11R1.16 CNCC(=O)c1ccccc1 AB16229 [2,0,0,0,0,0|1,0,0]=3 20 B11R1.16 c1ccc(cc1)C(=O)OCCl AB01791 [2,0,0,0,0,0|1,0,0]=3 21 B11R1.22 CCC(=O)c1ccc(cn1)Br AB68534 [2,0,0,0,0,0|2,0,0]=4 22 B11R1.22 CNC(=O)c1ccc(cc1)O MB02709 [2,0,0,0,0,0|1,0,0]=3 23 B11R1.22 CNC(=O)c1ccc(cn1)O MB11446 [2,0,0,0,0,0|2,0,0]=4 24 B11R1.22 COC(=N)c1ccc(cc1)F AB60956 [2,0,0,0,0,0|2,0,0]=4 25 B11R1.22 COC(=N)c1ccc(cc1)N AB60980 [2,0,0,0,0,0|2,0,0]=4 26 B11R1.22 COC(=N)c1ccc(cc1)O AB01949 [2,0,0,0,0,0|1,0,0]=3 27 B11R1.22 COC(=O)c1ccc(cn1)Br PB29312 [2,0,0,0,0,0|2,0,0]=4 28 B11R1.22 COC(=O)c1ccc(cn1)Cl AB51080 [2,0,0,0,0,0|2,0,0]=4 29 B11R1.22 COC(=O)c1ccc(cn1)N PB26290 [2,0,0,0,0,0|2,0,0]=4 30 B11R1.22 COC(=O)c1ccc(cn1)O PB27686 [2,0,0,0,0,0|1,0,0]=3 31 B11R1.22 COC(=O)c1ccc(nc1)Br PB29326 [2,0,0,0,0,0|2,0,0]=4 32 B11R1.22 COC(=O)c1ccc(nc1)N PB19892 [2,0,0,0,0,0|2,0,0]=4 33 B11R1.22 COC(=O)c1ccc(nc1)O PB34296 [2,0,0,0,0,0|1,0,0]=3 34 B11R1.22 COC(=O)c1ccc(nn1)O PB13716 [2,0,0,0,0,0|2,0,0]=4 35 B11R1.22 COC(=O)c1cnc(cn1)O PB32586 [2,0,0,0,0,0|2,0,0]=4 36 B11R1.22 COS(=O)c1ccc(cc1)Cl AB45287 [2,0,0,0,0,0|2,0,0]=4 37 B11R1.22 c1cc(ccc1C(=O)C=O)O AB02263 [2,0,0,0,0,0|1,0,1]=4 38 B11R1.22 c1cc(ccc1C(=O)CN)Br CB10172 [2,0,0,0,0,0|2,0,0]=4 39 B11R1.22 c1cc(ccc1C(=O)CO)F MB02453 [2,0,0,0,0,0|2,0,0]=4 40 B13R1.452 CCOC(=O)c1ccc(cn1)CCl AB59954 [1,1,0,0,0,0|2,0,0]=4 41 B13R1.452 CCOC(=O)c1ccc(nc1)CCl AB59997 [1,1,0,0,0,0|2,0,0]=4 42 B13R1.466 CCOC(=O)c1cc(c(cn1)N)Cl AB69460 [1,1,0,0,0,0|2,0,0]=4 43 B13R1.466 CCOC(=O)c1cc(c(cn1)N)N AB66689 [1,1,0,0,0,0|2,0,0]=4 44 B13R1.466 CCOC(=O)c1cc(c(cn1)N)O AB69458 [1,1,0,0,0,0|2,0,0]=4 45 B13R1.466 CCOC(=O)c1cc(c(nc1)C)N PB30308 [1,1,0,0,0,0|2,0,0]=4 46 B13R1.466 CCOC(=O)c1cc(c(nc1)N)Br AB26572 [1,1,0,0,0,0|2,0,0]=4 47 B13R1.466 CCOC(=O)c1ccc(c(c1)Br)C MB09092 [1,1,0,0,0,0|1,0,0]=3 48 B13R1.466 CCOC(=O)c1ccc(c(c1)F)Br MB07616 [1,1,0,0,0,0|1,0,0]=3 49 B13R1.466 CCOC(=O)c1ccc(c(n1)Cl)N AB73357 [1,1,0,0,0,0|2,0,0]=4 50 B13R1.466 CCOC(=O)c1ccc(c(n1)F)Cl AB70576 [1,1,0,0,0,0|2,0,0]=4 51 B13R1.466 CCOC(=O)c1ccc(c(n1)F)F AB70572 [1,1,0,0,0,0|2,0,0]=4 52 B13R1.466 CCOC(=O)c1ccc(c(n1)N)N AB73342 [1,1,0,0,0,0|2,0,0]=4 53 B13R1.466 CNCC(=O)c1ccc(c(c1)O)O AB06968 [1,1,0,0,0,0|1,0,0]=3 54 B13R1.1511 CCOC(=O)c1c(cc(cn1)N)Cl AB73531 [1,1,0,0,0,0|2,0,0]=4 55 B13R1.1511 CCOC(=O)c1ccc(cc1F)Cl MB02655 [1,1,0,0,0,0|1,0,0]=3 56 B13R1.1511 CCOC(=O)c1ccc(cc1F)N MB06864 [1,1,0,0,0,0|1,0,0]=3 57 B13R1.1511 CCOC(=O)c1ccc(cc1N)F AB44538 [1,1,0,0,0,0|1,0,0]=3 58 B13R1.1511 CCOC(=O)c1ccc(nc1C)Br AB69337 [1,1,0,0,0,0|2,0,0]=4 59 B13R1.1511 CCOC(=O)c1ccc(nc1C)C AB13966 [1,1,0,0,0,0|2,0,0]=4 60 B13R1.1511 CCOC(=O)c1ccc(nc1C)Cl AB64413 [1,1,0,0,0,0|2,0,0]=4 61 B13R1.1511 CCOC(=O)c1ccc(nc1C)O AB55501 [1,1,0,0,0,0|1,0,0]=3 62 B13R1.1511 CCOC(=O)c1ccc(nc1O)C AB06111 [1,1,0,0,0,0|2,0,0]=4 63 B13R1.1511 CCOC(=O)c1cnc(cc1Cl)Cl AB05228 [1,1,0,0,0,0|2,0,0]=4 64 B13R1.1511 CCOC(=O)c1cnc(cc1N)Br AB72391 [1,1,0,0,0,0|2,0,0]=4 65 B13R1.1511 CCOC(=O)c1cnc(cc1O)O AB07410 [1,1,0,0,0,0|1,0,0]=3 66 B13R1.1511 CCOC(=O)c1cnc(nc1C)O AB10488 [1,1,0,0,0,0|2,0,0]=4 67 B13R1.674 Cc1ccccc1C(=O)CCCCl AB16779 [1,1,0,0,0,0|2,0,0]=4 68 B15R1.1222 B(c1ccc(cc1)C(=O)NCCC)(O)O AB25446 [0,2,0,0,0,0|1,0,0]=3 69 B15R1.1222 B(c1ccc(cc1)C(=O)OCCC)(O)O AB26473 [0,2,0,0,0,0|0,0,0]=2 70 B13R2.12 c1cc(ccc1C2=NCCO2)Br MB01248 [1,0,0,1,0,0|2,0,0]=4 71 B13R2.527 c1cc(ccc1\C=N\C2CC2)F MB69370 [1,0,0,1,0,0|2,0,0]=4 72 B13R2.5179 Cc1cc2c(nc1)C(=O)CCC2 AB68943 [1,0,0,1,0,0|2,0,0]=4 73 B13R2.5179 Cc1ccc2c(c1)CCCC2=O MB00436 [1,0,0,1,0,0|1,0,0]=3 74 B13R2.5179 Cc1ccc2c(c1)NCCC2=O AB60321 [1,0,0,1,0,0|2,0,0]=4 75 B13R2.5179 Cc1ccc2c(c1)OCCC2=O MB00918 [1,0,0,1,0,0|2,0,0]=4 76 B13R2.5179 Cc1ccc2c(n1)CCCC2=O AB68917 [1,0,0,1,0,0|2,0,0]=4 77 B13R2.5179 c1c(cnc2c1CCCC2=O)Br AB68947 [1,0,0,1,0,0|2,0,0]=4 78 B13R2.5179 c1c(cnc2c1CCCC2=O)Cl AB68944 [1,0,0,1,0,0|2,0,0]=4 79 B13R2.5179 c1c(cnc2c1CCCC2=O)O AB68954 [1,0,0,1,0,0|1,0,0]=3 80 B13R2.5179 c1c2c(nc(n1)O)CCCC2=O AB68964 [1,0,0,1,0,0|2,0,0]=4 81 B13R2.5179 c1cc(nc2c1C(=O)CCC2)Cl AB48385 [1,0,0,1,0,0|2,0,0]=4 82 B13R2.5179 c1cc(nc2c1C(=O)CCC2)O AB62940 [1,0,0,1,0,0|1,0,0]=3 83 B13R2.5179 c1cc2c(cc1Br)CCCC2=O AB18188 [1,0,0,1,0,0|1,0,0]=3 84 B13R2.5179 c1cc2c(cc1Br)CCNC2=O PB27642 [1,0,0,1,0,0|2,0,0]=4 85 B13R2.5179 c1cc2c(cc1Br)OCCC2=O MB07538 [1,0,0,1,0,0|2,0,0]=4 86 B13R2.5179 c1cc2c(cc1Cl)CCCC2=O AB18184 [1,0,0,1,0,0|1,0,0]=3 87 B13R2.5179 c1cc2c(cc1Cl)CCNC2=O AB19131 [1,0,0,1,0,0|2,0,0]=4 88 B13R2.5179 c1cc2c(cc1Cl)NCCC2=O AB07151 [1,0,0,1,0,0|2,0,0]=4 89 B13R2.5179 c1cc2c(cc1Cl)OCCC2=O MB07535 [1,0,0,1,0,0|2,0,0]=4 90 B13R2.5179 c1cc2c(cc1F)CCCC2=O AB49348 [1,0,0,1,0,0|1,0,0]=3 91 B13R2.5179 c1cc2c(cc1F)CCNC2=O AB19126 [1,0,0,1,0,0|2,0,0]=4 92 B13R2.5179 c1cc2c(cc1F)NCCC2=O AB66651 [1,0,0,1,0,0|2,0,0]=4 93 B13R2.5179 c1cc2c(cc1N)CCCC2=O MB00658 [1,0,0,1,0,0|1,0,0]=3 94 B13R2.5179 c1cc2c(cc1N)NCCC2=O AB60329 [1,0,0,1,0,0|2,0,0]=4 95 B13R2.5179 c1cc2c(cc1O)CCCC2=O MB00784 [1,0,0,1,0,0|0,0,0]=2 96 B13R2.5179 c1cc2c(cc1O)CCCC2N AB43911 [1,0,0,1,0,0|1,0,1]=4 97 B13R2.3 B1(OCCCO1)c2ccccc2 AB02862 [1,0,0,1,0,0|1,0,1]=4 98 B13R2.371 CC1CNC(=O)c2c1cccc2 AB19151 [1,0,0,1,0,0|1,0,0]=3 99 B13R2.5252 c1ccc2c(c1)C(=O)CCCN2 AB14874 [1,0,0,1,0,0|2,0,0]=4 100 B13R2.5252 c1ccc2c(c1)CCCNC2=O AB19134 [1,0,0,1,0,0|1,0,0]=3 101 B13R2.5252 c1ccc2c(c1)CCCOC2=O AB65833 [1,0,0,1,0,0|0,0,0]=2 102 B15R2.22338 COc1ccc2c(c1)CCCNC2=O AB06723 [0,1,0,1,0,0|1,0,0]=3 103 B11R1.15 CCOC(=O)c1cc(cs1)Br AB23220 [1,0,0,0,1,0|2,0,0]=4 104 B11R1.15 CCOC(=O)c1ccc(o1)Br AB03314 [1,0,0,0,1,0|2,0,0]=4 105 B11R1.15 CCOC(=O)c1ccc(s1)Br AB12313 [1,0,0,0,1,0|2,0,0]=4