0 B12R2.24 c1ccc2c(c1)CC(=O)CS2 DA-26187 [0,0,0,0,0,0|2,0,0]=2 1 B12R2.24 c1ccc2c(c1)CC(CO2)N DA-34980 [0,0,0,0,0,0|3,0,1]=4 2 B12R2.24 c1ccc2c(c1)CN=C(N2)N DA-30227 [0,0,0,0,0,0|3,0,0]=3 3 B11R2.20 c1cc2c(nc1)CCN=C2 DA-35858 [1,0,0,0,0,0|3,0,0]=4 4 B11R2.20 c1cc2c(nc1)CCNC2 DA-38319 [1,0,0,0,0,0|3,0,0]=4 5 B11R2.20 c1cncc2c1CCNC2 DA-30427 [1,0,0,0,0,0|3,0,0]=4 6 B13R2.32 CN1c2ccccc2NCC1=O DA-24832 [0,1,0,0,0,0|2,0,0]=3 7 B13R2.32 CN1c2cccnc2NCC1=O DA-41741 [0,1,0,0,0,0|3,0,0]=4 8 B13R2.57 C=NN1CCc2ccccc2C1 DA-24690 [0,1,0,0,0,0|3,0,0]=4 9 B13R2.57 CNN1CCc2ccccc2C1 DA-24692 [0,1,0,0,0,0|3,0,0]=4 10 B13R2.57 CSC1=NCc2ccccc2N1 DA-30228 [0,1,0,0,0,0|2,1,0]=4 11 B13R2.57 c1ccc2c(c1)NCC(=N2)NN DA-23583 [0,1,0,0,0,0|3,0,0]=4 12 B13R2.155 CN1CCc2ccc(cc2C1)N DA-30423 [0,1,0,0,0,0|3,0,0]=4 13 B13R2.155 CN1CCc2ccc(cc2C1)O DA-30422 [0,1,0,0,0,0|3,0,0]=4 14 B13R2.155 Cc1ccc2c(c1)NC(=O)CC2 DA-24699 [0,1,0,0,0,0|1,0,0]=2 15 B13R2.155 c1c2c(cnc1Br)OCC(=O)N2 DA-35803 [0,1,0,0,0,0|3,0,0]=4 16 B13R2.155 c1cc(cc2c1ccc(=O)o2)Cl DA-35728 [0,1,0,0,0,0|0,0,2]=3 17 B13R2.155 c1cc2c(cc1Cl)CC(=O)CO2 DA-36965 [0,1,0,0,0,0|2,0,0]=3 18 B13R2.155 c1cc2cnc(=O)[nH]c2cc1Br DA-35907 [0,1,0,0,0,0|2,0,1]=4 19 B13R2.369 CN1Cc2ccccc2NC1=O DA-24729 [0,1,0,0,0,0|2,0,0]=3 20 B13R2.369 c1ccc2c(c1)CC(C(=O)N2)O DA-24730 [0,1,0,0,0,0|1,0,0]=2 21 B13R2.3683 CN1CCc2cc(ccc2C1)N DA-30424 [0,1,0,0,0,0|3,0,0]=4 22 B13R2.3683 c1cc(=O)[nH]c2c1cc(cc2)N DA-36618 [0,1,0,0,0,0|1,0,2]=4 23 B13R2.3683 c1cc(=O)oc2c1cc(cc2)Cl DA-36326 [0,1,0,0,0,0|0,0,2]=3 24 B13R2.3683 c1cc(cc2c1cc(=O)[nH]c2)Br DA-35783 [0,1,0,0,0,0|2,0,1]=4 25 B13R2.3683 c1cc(nc2c1NC(=O)CO2)Br DA-36532 [0,1,0,0,0,0|3,0,0]=4 26 B13R2.3683 c1cc2c(cc1Br)CCC(=O)O2 DA-36403 [0,1,0,0,0,0|0,0,0]=1 27 B13R2.3683 c1cc2c(cc1Cl)CCC(=O)O2 DA-36253 [0,1,0,0,0,0|0,0,0]=1 28 B13R2.3683 c1cc2c(cc1F)cnc(=O)[nH]2 DA-36157 [0,1,0,0,0,0|2,0,1]=4 29 B13R2.3683 c1cc2c(cc1N)CNC(=O)C2 DA-35841 [0,1,0,0,0,0|2,0,0]=3 30 B13R2.3683 c1cc2c(cc1O)CNC(=O)C2 DA-35645 [0,1,0,0,0,0|2,0,0]=3 31 B13R2.3683 c1cc2c(cc1O)CNC(=O)N2 DA-40207 [0,1,0,0,0,0|2,0,0]=3 32 B13R2.5179 c1cc(c2c(c1)NC(=O)NC2)N DA-38024 [0,1,0,0,0,0|2,0,0]=3 33 B13R2.5179 c1cnc2c(c1F)CCC(=O)N2 DA-37358 [0,1,0,0,0,0|2,0,0]=3 34 B11R1.17 Cc1ccccc1CCCO DA-25812 [0,0,1,0,0,0|1,0,2]=4 35 B11R1.17 Cc1ccccc1CCNC DA-41369 [0,0,1,0,0,0|3,0,0]=4 36 B11R1.17 c1c(c(ncn1)CCC=O)Br DA-37730 [0,0,1,0,0,0|3,0,0]=4 37 B11R1.86 CC(=C)Cc1ccccc1O DA-28587 [0,0,1,0,0,0|3,0,0]=4 38 B11R1.86 CC(=O)Oc1cnccc1I DA-24380 [0,0,1,0,0,0|2,0,0]=3 39 B11R1.86 Cc1ccccc1NC(=N)C DA-42654 [0,0,1,0,0,0|2,0,0]=3 40 B11R1.91 CC(=CCc1ccccc1)C DA-32020 [0,0,1,0,0,0|2,0,1]=4 41 B11R1.91 CC(=O)CCc1ccncc1 DA-22457 [0,0,1,0,0,0|2,0,0]=3 42 B11R1.91 c1cc(cnc1)OCC(=O)N DA-40394 [0,0,1,0,0,0|3,0,0]=4 43 B11R1.91 c1ccc(cc1)CNC(=O)Cl DA-35039 [0,0,1,0,0,0|2,0,0]=3 44 B11R1.91 c1cnc(cn1)CCC(=O)O DA-41743 [0,0,1,0,0,0|2,0,0]=3 45 B11R1.91 c1cnccc1C#CC(=O)O DA-25115 [0,0,1,0,0,0|1,0,2]=4 46 B11R2.1 CC1COc2c1cccc2 DA-27551 [0,0,0,0,1,0|2,0,1]=4 47 B11R2.1 c1cc2c(=O)[nH]oc2nc1 DA-33459 [0,0,0,0,1,0|3,0,0]=4 48 B11R2.1 c1cc2c(=O)[nH]sc2nc1 DA-33461 [0,0,0,0,1,0|3,0,0]=4 49 B11R2.1 c1ccc2c(c1)c([nH]n2)N DA-26181 [0,0,0,0,1,0|3,0,0]=4 50 B11R2.10 c1cc2c(nc1)sc(=O)o2 DA-30242 [0,0,0,0,1,0|2,0,0]=3 51 B11R2.10 c1cncc2c1[nH]c(=O)o2 DA-41700 [0,0,0,0,1,0|2,0,0]=3 52 B11R2.10 c1cncc2c1oc(=O)[nH]2 DA-42001 [0,0,0,0,1,0|2,0,0]=3 53 B11R2.36 c1csc2c1NC(=O)CO2 DA-29324 [0,0,0,0,1,0|3,0,0]=4 54 B11R2.36 c1csc2c1OCC(=O)N2 DA-26179 [0,0,0,0,1,0|3,0,0]=4 55 B11R2.36 c1nc2c(s1)CC(=O)CC2 DA-22007 [0,0,0,0,1,0|3,0,0]=4 56 B10R1.17 CCC#Cc1ccccc1 DA-23884 [1,0,1,0,0,0|1,0,1]=4 57 B10R1.17 c1ccc(cc1)C=CCCl DA-32036 [1,0,1,0,0,0|2,0,0]=4 58 B10R1.4 C=CCc1ccccc1Br DA-29692 [1,0,1,0,0,0|1,0,1]=4 59 B10R1.4 c1cc(c(nc1)Br)CC=O DA-26888 [1,0,1,0,0,0|2,0,0]=4 60 B10R1.4 c1ccc(c(c1)CCCl)F DA-31423 [1,0,1,0,0,0|2,0,0]=4 61 B10R1.20 CCc1ccccc1CBr DA-30697 [1,0,1,0,0,0|1,0,1]=4 62 B10R1.20 CCc1ccccc1CN DA-26224 [1,0,1,0,0,0|1,0,1]=4 63 B10R1.18 CC(=N)Nc1ccccc1 DA-44930 [1,0,1,0,0,0|2,0,0]=4 64 B12R1.125 c1ccc(c(c1)CCC(=O)Cl)Cl DA-26398 [0,1,1,0,0,0|1,0,0]=3 65 B12R1.125 c1ccc(c(c1)CCC(=O)Cl)O DA-26114 [0,1,1,0,0,0|0,0,0]=2 66 B12R1.308 c1ccc(c(c1)C(=O)CC=O)Br DA-25389 [0,1,1,0,0,0|1,0,1]=4 67 B12R1.308 c1ccc(c(c1)C(=O)CC=O)Cl DA-25372 [0,1,1,0,0,0|1,0,1]=4 68 B12R1.308 c1ccc(c(c1)C(=O)CC=O)F DA-25361 [0,1,1,0,0,0|1,0,1]=4 69 B12R1.34 c1ccc(cc1)C(=O)C(=O)CBr DA-24072 [0,1,1,0,0,0|2,0,0]=4 70 B12R1.283 CC(C)c1ccccc1CC=O DA-28611 [0,1,1,0,0,0|1,0,0]=3 71 B12R1.127 Cc1c(cc(cn1)Br)NC(=O)C DA-46287 [0,1,1,0,0,0|2,0,0]=4 72 B12R1.151 Cc1c(cccn1)OS(=O)(=O)C DA-25787 [0,1,1,0,0,0|2,0,0]=4 73 B12R1.1009 Cc1cc[nH]c(=O)c1NC(=O)C DA-42776 [0,1,1,0,0,0|2,0,0]=4 74 B12R1.1009 Cc1ccnc(c1NC(=O)C)Cl DA-41416 [0,1,1,0,0,0|2,0,0]=4 75 B12R1.27 COC(=O)C#Cc1ccccc1 DA-32659 [0,1,1,0,0,0|0,0,2]=4 76 B12R1.27 COC(=O)CCc1ccnnc1 DA-38976 [0,1,1,0,0,0|2,0,0]=4 77 B12R1.27 COC(=O)CCc1cncnc1 DA-37014 [0,1,1,0,0,0|2,0,0]=4 78 B12R1.27 COC(CCc1ccccc1)Cl DA-32035 [0,1,1,0,0,0|1,0,1]=4 79 B12R1.27 c1ccc(cc1)CCC(CN)O DA-29820 [0,1,1,0,0,0|1,0,1]=4 80 B12R2.1081 CC1CNCc2c1cccc2 DA-30405 [1,1,0,0,0,0|2,0,0]=4 81 B12R2.1081 c1cc2c(c(c1)Br)CCNC2 DA-37943 [1,1,0,0,0,0|2,0,0]=4 82 B12R2.1081 c1cc2c(c(c1)O)CCCN2 DA-30393 [1,1,0,0,0,0|1,0,1]=4 83 B12R2.1081 c1ccc2c(c1)C(CCO2)Cl DA-39551 [1,1,0,0,0,0|0,0,1]=3 84 B12R2.1081 c1ccc2c(c1)COCC2Cl DA-39549 [1,1,0,0,0,0|2,0,0]=4 85 B12R2.1081 c1ccc2c(c1)COCC2O DA-33516 [1,1,0,0,0,0|2,0,0]=4 86 B12R2.18 CC1Cc2cccnc2C1=O DA-38247 [0,1,0,0,1,0|1,0,0]=3 87 B12R2.18 c1ccc2c(c1)C(=O)C(=O)O2 DA-27457 [0,1,0,0,1,0|1,0,1]=4 88 B12R2.132 Cc1ccc2c(c1)C(=O)OC2 DA-36046 [0,1,0,0,1,0|1,0,0]=3 89 B12R2.132 c1cc(nc2c1CCC2=O)Cl DA-26494 [0,1,0,0,1,0|1,0,0]=3 90 B12R2.132 c1cc2c(cc1F)c(=O)[nH][nH]2 DA-37366 [0,1,0,0,1,0|2,0,0]=4 91 B12R2.132 c1cc2c(cc1I)C(=O)CO2 DA-38892 [0,1,0,0,1,0|1,0,0]=3 92 B12R2.196 c1cc2c(c(c1)O)CCC2N DA-29830 [0,1,0,0,1,0|1,0,1]=4 93 B12R2.203 c1cc2c(c(c1)Br)C(=O)CS2 DA-23130 [0,1,0,0,1,0|1,0,0]=3 94 B12R2.612 c1c(cnc2c1CCC2=O)Br DA-23986 [0,1,0,0,1,0|1,0,0]=3 95 B12R2.612 c1c(cnc2c1CCC2=O)Cl DA-45712 [0,1,0,0,1,0|1,0,0]=3 96 B12R2.612 c1c(cnc2c1OCC2=O)Cl DA-36252 [0,1,0,0,1,0|2,0,0]=4 97 B12R2.612 c1c2c(cnc1Cl)C(=O)OC2 DA-36251 [0,1,0,0,1,0|2,0,0]=4 98 B12R2.612 c1cc2c(cc1O)CNC2=O DA-43043 [0,1,0,0,1,0|1,0,0]=3 99 B12R2.2028 c1ccc2c(c1)C(CC2=O)N DA-24334 [0,1,0,0,1,0|0,0,0]=2 100 B12R2.202 c1c2c(c(cn1)Cl)[nH]c(=O)o2 DA-35669 [0,1,0,0,1,0|2,0,0]=4 101 B12R2.202 c1cc2c(c(c1)I)NC(=O)C2 DA-35630 [0,1,0,0,1,0|1,0,0]=3 102 B12R2.606 C1C(=O)N=C2N1C=C(C=C2)Br DA-36401 [0,1,0,0,1,0|2,0,0]=4 103 B12R2.606 CC1Cc2cc(ccc2O1)N DA-27553 [0,1,0,0,1,0|1,0,1]=4 104 B12R2.606 Cc1cc2cc(ccc2o1)Cl DA-37556 [0,1,0,0,1,0|1,0,1]=4 105 B12R2.606 Cc1ccc2c(c1)oc(n2)N DA-36025 [0,1,0,0,1,0|2,0,0]=4 106 B12R2.606 c1c(cnc2c1CC(=O)N2)N DA-38070 [0,1,0,0,1,0|2,0,0]=4 107 B12R2.606 c1c2c(cnc1Cl)CC(=O)N2 DA-48500 [0,1,0,0,1,0|2,0,0]=4 108 B12R2.606 c1cc(nc2c1NC(=O)C2)Br DA-37934 [0,1,0,0,1,0|2,0,0]=4 109 B12R2.606 c1cc2c(cc1Cl)oc(n2)Br DA-46671 [0,1,0,0,1,0|2,0,0]=4 110 B12R2.606 c1cc2c(cc1I)oc(=O)[nH]2 DA-36111 [0,1,0,0,1,0|1,0,0]=3 111 B14R2.5634 c1cc2c(cc1N)CCC(=O)CC2 DA-41513 [0,1,0,0,0,1|1,0,0]=3 112 B14R2.7974 c1cc2c(cc1Br)CCCC(=O)C2 DA-41511 [0,1,0,0,0,1|1,0,0]=3 113 B14R2.4513 CN1c2cc(ccc2CCC1=O)N DA-35835 [0,2,0,0,0,0|1,0,0]=3 114 B14R2.4513 Cc1ccc2ccc(=O)oc2c1C DA-35852 [0,2,0,0,0,0|0,0,2]=4 115 B14R2.8038 CN1c2cccc(c2CNC1=O)N DA-38026 [0,2,0,0,0,0|2,0,0]=4 116 B14R2.29369 CN1c2ccc(cc2CCC1=O)Br DA-36460 [0,2,0,0,0,0|1,0,0]=3 117 B14R2.29369 CN1c2ccc(cc2CCC1=O)N DA-36599 [0,2,0,0,0,0|1,0,0]=3 118 B14R2.134 COc1ccc2c(c1)CC(=O)CO2 DA-36054 [0,2,0,0,0,0|2,0,0]=4 119 B14R2.134 COc1ccc2c(c1)CC(=O)OC2 DA-36053 [0,2,0,0,0,0|2,0,0]=4 120 B14R2.134 COc1ccc2c(n1)NC(=O)CC2 DA-24701 [0,2,0,0,0,0|2,0,0]=4 121 B14R2.134 c1cc(nc2c1CCC(=O)N2)C=O DA-38287 [0,2,0,0,0,0|2,0,0]=4 122 B14R2.134 c1cc(nc2c1CCC(=O)N2)CO DA-24704 [0,2,0,0,0,0|2,0,0]=4 123 B14R2.134 c1cc2c(cc1C#N)NC(=O)CN2 DA-30412 [0,2,0,0,0,0|2,0,0]=4 124 B14R2.134 c1cc2c(cc1C=O)NC(=O)CC2 DA-30419 [0,2,0,0,0,0|1,0,0]=3 125 B14R2.781 c1ccc2c(c1)CCN(C2)C(=O)Cl DA-24747 [0,2,0,0,0,0|2,0,0]=4 126 B14R2.2332 COc1ccc2c(c1)CCC(=O)O2 DA-36055 [0,2,0,0,0,0|0,0,0]=2 127 B14R2.2332 COc1ccc2c(c1)CCC(O2)O DA-36056 [0,2,0,0,0,0|0,0,2]=4 128 B14R2.2332 COc1ccc2c(c1)OCC(=O)N2 DA-35618 [0,2,0,0,0,0|2,0,0]=4 129 B14R2.2332 c1cc2c(cc1C=O)CCC(=O)N2 DA-30420 [0,2,0,0,0,0|1,0,0]=3 130 B14R2.2332 c1cc2c(cc1NN)CCC(=O)N2 DA-36137 [0,2,0,0,0,0|1,0,0]=3 131 B14R2.8239 CC1Cc2cc(ccc2NC1=O)N DA-36597 [0,2,0,0,0,0|1,0,0]=3 132 B14R2.8239 CN1Cc2cc(ccc2NC1=O)N DA-36598 [0,2,0,0,0,0|2,0,0]=4 133 B14R2.8239 CN1Cc2ccc(cc2NC1=O)N DA-35832 [0,2,0,0,0,0|2,0,0]=4 134 B14R2.8239 c1c2c(cc(c1Br)N)NC(=O)CC2 DA-35821 [0,2,0,0,0,0|1,0,0]=3 135 B14R2.8239 c1c2c(cc(c1F)Br)CC(=O)CC2 DA-35759 [0,2,0,0,0,0|1,0,0]=3 136 B14R2.8239 c1c2c(cc(c1O)Cl)NC(=O)CC2 DA-35715 [0,2,0,0,0,0|1,0,0]=3 137 B14R2.8239 c1cc2c(cc1Br)CC(C(=O)N2)O DA-36459 [0,2,0,0,0,0|1,0,0]=3 138 B14R2.29365 c1cc2c(cc(=O)oc2cc1Br)O DA-35771 [0,2,0,0,0,0|0,0,2]=4 139 B12R2.517 c1ccc(c(c1)C2CCC2)O DA-26342 [0,0,1,1,0,0|1,0,1]=4 140 B10R1.15 CNC(=N)c1ccccc1 DA-42718 [0,0,1,0,1,0|2,0,0]=4 141 B10R1.61 CC(=O)c1cnccc1Br DA-31034 [0,0,1,0,1,0|2,0,0]=4 142 B10R1.61 CS(=O)c1ccccc1N DA-27649 [0,0,1,0,1,0|2,0,0]=4 143 B10R1.61 Cc1ccccc1C(=C)I DA-31748 [0,0,1,0,1,0|1,0,1]=4 144 B10R1.61 Cc1cccnc1C(=O)Cl DA-23313 [0,0,1,0,1,0|2,0,0]=4 145 B10R1.66 CC(=O)CCc1cccs1 DA-22764 [0,0,1,0,1,0|2,0,0]=4 146 B10R2.7 c1cc2c(nc1)CCN2 DA-27427 [1,0,0,0,1,0|2,0,0]=4