0 B9R1.35 CC(=O)c1cc(sc1)Br DA-30857 [0,0,0,0,0,0|4,0,0]=4 1 B9R1.35 Cc1cc(no1)C(=N)N DA-37109 [0,0,0,0,0,0|3,0,0]=3 2 B9R1.35 Cc1cc(oc1)C(=O)O DA-39140 [0,0,0,0,0,0|2,0,0]=2 3 B9R1.35 Cc1cnc(s1)[N+](=O)[O-] DA-37129 [0,0,0,0,0,0|3,0,1]=4 4 B9R1.35 Cn1cc(nn1)[N+](=O)[O-] DA-29172 [0,0,0,0,0,0|2,0,2]=4 5 B9R1.35 Cn1cnc(n1)C(=O)O DA-29248 [0,0,0,0,0,0|3,0,0]=3 6 B9R1.35 c1(nc([nH]n1)Br)C(=O)O DA-38913 [0,0,0,0,0,0|2,0,0]=2 7 B9R1.35 c1(nc([nH]n1)I)C(=O)O DA-38893 [0,0,0,0,0,0|2,0,0]=2 8 B9R1.35 c1(nc(no1)Br)C(=O)O DA-24081 [0,0,0,0,0,0|3,0,1]=4 9 B9R1.35 c1(nc(sn1)Cl)C(=O)O DA-37637 [0,0,0,0,0,0|3,0,0]=3 10 B9R1.35 c1c([nH]c(=S)s1)C(=O)O DA-27411 [0,0,0,0,0,0|4,0,0]=4 11 B9R1.35 c1c(c[nH]c1C(=O)N)Cl DA-39743 [0,0,0,0,0,0|3,0,1]=4 12 B9R1.35 c1c(coc1C(=O)Cl)Br DA-39933 [0,0,0,0,0,0|4,0,0]=4 13 B9R1.35 c1c(coc1C(=O)N)Br DA-39932 [0,0,0,0,0,0|4,0,0]=4 14 B9R1.35 c1c(coc1C(=O)O)Cl DA-39695 [0,0,0,0,0,0|3,0,0]=3 15 B9R1.35 c1c(csc1C(=O)O)N DA-21452 [0,0,0,0,0,0|3,0,0]=3 16 B9R1.35 c1c(csc1I)C(=O)O DA-37272 [0,0,0,0,0,0|3,0,0]=3 17 B9R1.35 c1c(nc(o1)Br)C(=O)O DA-26829 [0,0,0,0,0,0|4,0,0]=4 18 B9R1.35 c1c(nc(o1)C(=O)O)Br DA-39914 [0,0,0,0,0,0|4,0,0]=4 19 B9R1.35 c1c(oc(=O)[nH]1)C(=O)O DA-27415 [0,0,0,0,0,0|3,0,0]=3 20 B9R1.35 c1c(onc1N)C(=O)O DA-24177 [0,0,0,0,0,0|2,0,1]=3 21 B9R1.35 c1c(s[nH]c1=O)C(=O)N DA-27400 [0,0,0,0,0,0|3,0,0]=3 22 B9R1.35 c1c(sc(n1)C(=O)N)N DA-38032 [0,0,0,0,0,0|4,0,0]=4 23 B8R1.1 C(c1nc([nH]n1)N)O DA-38073 [1,0,0,0,0,0|2,0,1]=4 24 B8R1.1 CCc1cc([nH]n1)N DA-23652 [1,0,0,0,0,0|2,0,1]=4 25 B8R1.1 Cc1cc(cs1)CO DA-37106 [1,0,0,0,0,0|2,0,1]=4 26 B8R1.1 Cc1cc(n[nH]1)CN DA-37150 [1,0,0,0,0,0|1,0,1]=3 27 B8R1.1 Cn1ccc(c1)C=O DA-29229 [1,0,0,0,0,0|3,0,0]=4 28 B8R1.1 c1c(c[nH]c1C=O)I DA-39315 [1,0,0,0,0,0|2,0,1]=4 29 B8R1.1 c1c(n[nH]c1N)CO DA-38071 [1,0,0,0,0,0|1,0,1]=3 30 B8R1.7 C1C=C(CO1)C(=O)O DA-27535 [1,0,0,0,0,0|2,0,1]=4 31 B8R1.7 c1c(nco1)C(=O)Cl DA-39022 [1,0,0,0,0,0|3,0,0]=4 32 B8R1.7 c1c(nsn1)C(=O)Cl DA-30344 [1,0,0,0,0,0|3,0,0]=4 33 B10R1.14 COC(=O)c1cc(no1)N DA-32732 [0,1,0,0,0,0|2,0,1]=4 34 B10R1.14 COC(=O)c1cc(sc1)I DA-32298 [0,1,0,0,0,0|3,0,0]=4 35 B10R1.14 COC(=O)c1nc([nH]n1)Cl DA-38909 [0,1,0,0,0,0|2,0,0]=3 36 B10R1.14 COC(=O)c1nc([nH]n1)N DA-38074 [0,1,0,0,0,0|2,0,0]=3 37 B10R1.14 Cc1cnc(s1)C(=O)NN DA-37081 [0,1,0,0,0,0|3,0,0]=4 38 B10R1.14 Cn1ccc(c1)C(=O)OC DA-33322 [0,1,0,0,0,0|3,0,0]=4 39 B10R1.31 c1c(coc1C=O)C(=O)O DA-37343 [0,1,0,0,0,0|2,0,1]=4 40 B10R1.31 c1c(onc1C(=O)N)CO DA-38385 [0,1,0,0,0,0|2,0,0]=3 41 B10R1.31 c1c(onc1C(=O)O)CBr DA-40156 [0,1,0,0,0,0|1,0,0]=2 42 B10R1.31 c1cc(oc1CN)C(=O)O DA-38497 [0,1,0,0,0,0|3,0,0]=4 43 B10R1.58 Cc1c(cc([nH]1)C(=O)O)I DA-39298 [0,1,0,0,0,0|2,0,1]=4 44 B10R1.58 Cc1cc(nn1C)C(=O)C DA-31654 [0,1,0,0,0,0|1,0,0]=2 45 B10R1.58 Cc1cc(nn1C)C(Cl)Cl DA-24925 [0,1,0,0,0,0|2,0,1]=4 46 B10R1.58 Cn1c(cc(n1)C(=O)O)Cl DA-37618 [0,1,0,0,0,0|1,0,0]=2 47 B10R1.58 c1c(c(oc1C(=O)O)Cl)Cl DA-21984 [0,1,0,0,0,0|3,0,0]=4 48 B10R1.58 c1c(c(sc1C(=O)O)Br)Cl DA-37751 [0,1,0,0,0,0|3,0,0]=4 49 B10R1.58 c1c(c(sc1C(=O)O)Cl)Br DA-39853 [0,1,0,0,0,0|3,0,0]=4 50 B10R1.59 Cc1[nH]c(c(n1)C(=O)O)Br DA-37819 [0,1,0,0,0,0|2,0,0]=3 51 B10R1.59 Cc1[nH]c(c(n1)C(=O)O)Cl DA-37560 [0,1,0,0,0,0|2,0,0]=3 52 B10R1.59 Cc1c(nc(s1)C)C(=O)O DA-47806 [0,1,0,0,0,0|3,0,0]=4 53 B10R1.59 c1c(c(sc1Br)Cl)C(=O)O DA-37856 [0,1,0,0,0,0|3,0,0]=4 54 B10R1.194 Cc1c(ncn1C)C(=O)C DA-31655 [0,1,0,0,0,0|3,0,0]=4 55 B10R1.194 Cc1csc(c1Cl)C(=O)O DA-23790 [0,1,0,0,0,0|2,0,0]=3 56 B10R1.194 Cn1c(c[nH]c1=S)C(=O)O DA-27402 [0,1,0,0,0,0|3,0,0]=4 57 B10R2.14 Cc1cc(n[nH]1)C2CC2 DA-25548 [0,0,0,1,0,0|2,0,1]=4 58 B10R1.13 CC(=O)c1ccc(cn1)N DA-30880 [0,0,0,0,0,1|3,0,0]=4 59 B10R1.13 CC(=O)c1ccc(nn1)Cl DA-43261 [0,0,0,0,0,1|2,0,1]=4 60 B10R1.13 Cc1ccc(nn1)C(=O)C DA-40581 [0,0,0,0,0,1|1,0,1]=3 61 B10R1.13 Cc1cnc(cn1)C(=O)Cl DA-37121 [0,0,0,0,0,1|2,0,0]=3 62 B10R1.54 Cc1cc(n[nH]1)CC(C)Cl DA-25369 [0,0,0,0,0,1|2,0,1]=4 63 B10R1.113 B(c1cc(cnn1)C)(O)O DA-35262 [0,0,0,0,0,1|1,0,2]=4 64 B10R1.113 Cc1cc(ccn1)C(=O)Cl DA-25798 [0,0,0,0,0,1|2,0,1]=4 65 B10R1.113 Cc1ccnc(c1)C(=O)Cl DA-39066 [0,0,0,0,0,1|2,0,0]=3 66 B10R1.113 c1c(cnnc1Cl)C(=O)O DA-36205 [0,0,0,0,0,1|1,0,1]=3 67 B10R1.113 c1cnc(cc1Br)C(=O)Cl DA-39794 [0,0,0,0,0,1|3,0,0]=4 68 B10R1.113 c1coc(cc1=O)C(=O)O DA-39015 [0,0,0,0,0,1|3,0,0]=4 69 B7R0.5 CCNC(=O)C(=O)O DA-27699 [1,0,1,0,0,0|1,0,1]=4 70 B7R1.1 c1csnc1C=O DA-23476 [2,0,0,0,0,0|1,0,0]=3 71 B9R1.7 CC#Cc1cc([nH]n1)C DA-37114 [1,1,0,0,0,0|1,0,1]=4 72 B9R1.7 Cc1cc(n[nH]1)CC#N DA-37152 [1,1,0,0,0,0|1,0,1]=4 73 B9R1.7 Cc1cc(n[nH]1)CCN DA-37151 [1,1,0,0,0,0|1,0,1]=4 74 B9R1.21 COc1cc(n[nH]1)OC DA-24612 [1,1,0,0,0,0|2,0,0]=4 75 B9R1.22 Cc1[nH]c(c(n1)C=O)Cl DA-37561 [1,1,0,0,0,0|2,0,0]=4 76 B9R1.23 Cn1c(cc(n1)CO)N DA-38068 [1,1,0,0,0,0|1,0,1]=4 77 B9R1.132 Cc1c(c(no1)CO)I DA-39297 [1,1,0,0,0,0|1,0,1]=4 78 B9R1.132 Cc1coc(c1C)C=O DA-24677 [1,1,0,0,0,0|2,0,0]=4 79 B9R1.41 Cc1c[nH]nc1[N+](=O)[O-] DA-39115 [1,1,0,0,0,0|1,0,1]=4 80 B9R1.41 c1(c(nsn1)Cl)C(=O)O DA-39762 [1,1,0,0,0,0|2,0,0]=4 81 B9R1.41 c1[nH]c(c(n1)C(=O)O)Br DA-37925 [1,1,0,0,0,0|2,0,0]=4 82 B9R1.41 c1[nH]c(c(n1)C(=O)O)Cl DA-37625 [1,1,0,0,0,0|2,0,0]=4 83 B9R1.41 c1c(c(n[nH]1)C(=O)N)N DA-21493 [1,1,0,0,0,0|1,0,0]=3 84 B9R1.41 c1c(c(no1)C(=O)O)O DA-39350 [1,1,0,0,0,0|1,0,0]=3 85 B9R1.41 c1c(c(ns1)C(=O)O)N DA-41553 [1,1,0,0,0,0|1,0,0]=3 86 B9R1.41 c1c[nH]c(c1Br)C(=O)O DA-24076 [1,1,0,0,0,0|1,0,1]=4 87 B9R1.41 c1c[nH]c(c1Cl)C(=O)O DA-23866 [1,1,0,0,0,0|1,0,1]=4 88 B9R1.41 c1coc(c1C(=O)O)Cl DA-26661 [1,1,0,0,0,0|2,0,0]=4 89 B9R1.41 c1coc(c1C(=O)O)I DA-28916 [1,1,0,0,0,0|2,0,0]=4 90 B9R1.41 c1csc(c1C(=O)O)I DA-26099 [1,1,0,0,0,0|2,0,0]=4 91 B11R1.3 C#Cc1ccc(nc1)C(=O)O DA-43497 [0,1,0,0,0,1|1,0,1]=4 92 B11R1.3 CCc1ccc(nc1)C(=O)C DA-42902 [0,1,0,0,0,1|2,0,0]=4 93 B11R1.3 CNc1ccc(nn1)C(=O)O DA-36743 [0,1,0,0,0,1|0,0,1]=3 94 B11R1.3 COc1cnc(cn1)C(=O)N DA-43397 [0,1,0,0,0,1|2,0,0]=4 95 B11R1.3 CSc1cnc(cn1)C(=O)O DA-38937 [0,1,0,0,0,1|1,0,0]=3 96 B11R1.3 c1c(cnc(n1)C(=O)O)C#N DA-38903 [0,1,0,0,0,1|1,0,1]=4 97 B11R1.21 c1c(c(cnc1C(=O)O)Br)Cl DA-37748 [0,1,0,0,0,1|2,0,0]=4 98 B11R1.21 c1c(nc(c(n1)Cl)Cl)C(=O)O DA-38261 [0,1,0,0,0,1|2,0,0]=4 99 B11R1.22 COC(=O)c1ncc(cn1)F DA-47059 [0,1,0,0,0,1|2,0,0]=4 100 B11R1.22 COC(=O)c1ncc(cn1)N DA-41536 [0,1,0,0,0,1|2,0,0]=4 101 B11R1.22 Cc1ccc(nc1)C(=O)NN DA-37083 [0,1,0,0,0,1|2,0,0]=4 102 B11R1.166 Cc1cc(=O)c(n[nH]1)C(=O)O DA-30223 [0,1,0,0,0,1|0,0,0]=2 103 B11R1.166 c1c(c(=O)[nH]c(=S)[nH]1)C(=O)O DA-30402 [0,1,0,0,0,1|2,0,0]=4 104 B11R1.39 Cc1cc(on1)CC(=O)OC DA-33222 [0,1,0,0,0,1|1,0,1]=4 105 B11R1.645 Cc1cc(n(c1)C)CC(=O)O DA-30213 [0,1,0,0,0,1|1,0,1]=4 106 B11R1.23 Cc1cncc(n1)C(=O)OC DA-42487 [0,1,0,0,0,1|2,0,0]=4 107 B11R1.74 Cc1cc(nc(c1)Cl)C(=O)C DA-30778 [0,1,0,0,0,1|2,0,0]=4 108 B11R1.74 c1c(nc(nc1N)N)C(=O)O DA-27161 [0,1,0,0,0,1|1,0,1]=4 109 B11R1.159 Cn1cncc(c1=O)C(=O)O DA-30160 [0,1,0,0,0,1|2,0,0]=4 110 B11R1.159 c1[nH]c(=O)c(c(n1)C(=O)O)Br DA-37928 [0,1,0,0,0,1|1,0,0]=3 111 B11R1.159 c1c(c(c(cn1)Br)O)C(=O)O DA-37743 [0,1,0,0,0,1|2,0,0]=4 112 B11R1.159 c1c[nH]c(=O)c(c1C(=O)O)O DA-30316 [0,1,0,0,0,1|2,0,0]=4 113 B11R1.167 Cc1cc(c(nc1)Br)C(=O)O DA-26774 [0,1,0,0,0,1|1,0,0]=3 114 B11R1.266 CNc1ccnc(c1)C(=O)O DA-22161 [0,1,0,0,0,1|1,0,0]=3 115 B11R1.266 COc1ccnc(c1)C(=O)Cl DA-39182 [0,1,0,0,0,1|2,0,0]=4 116 B11R1.15 CCNC(=O)c1cc([nH]n1)N DA-37987 [0,2,0,0,0,0|2,0,0]=4 117 B11R1.15 CCOC(=O)c1cc([nH]n1)Br DA-45406 [0,2,0,0,0,0|1,0,0]=3 118 B11R1.15 CCOC(=O)c1nc([nH]n1)Cl DA-38906 [0,2,0,0,0,0|2,0,0]=4 119 B11R1.44 COC(=O)c1cc([nH]c1)C#N DA-32325 [0,2,0,0,0,0|1,0,1]=4 120 B11R1.44 COC(=O)c1nc([nH]n1)C#N DA-32326 [0,2,0,0,0,0|1,0,1]=4 121 B11R1.44 COC(=O)c1nc([nH]n1)C=O DA-32314 [0,2,0,0,0,0|1,0,1]=4 122 B11R1.44 COC(=O)c1nc([nH]n1)NN DA-32308 [0,2,0,0,0,0|2,0,0]=4 123 B11R1.44 COc1cc(no1)C(=O)OC DA-37175 [0,2,0,0,0,0|1,0,0]=3 124 B11R1.225 Cc1cc(n(c1)C)C(=O)OC DA-33356 [0,2,0,0,0,0|1,0,1]=4 125 B11R1.226 Cn1c(cc(n1)C(=O)OC)Br DA-47098 [0,2,0,0,0,0|1,0,0]=3 126 B11R1.226 Cn1cc(cc1Br)C(=O)OC DA-32359 [0,2,0,0,0,0|2,0,0]=4 127 B11R1.865 COC(=O)c1c(c(sn1)Cl)Cl DA-32535 [0,2,0,0,0,0|2,0,0]=4 128 B11R1.865 Cc1c(c(n[nH]1)C(=O)OC)Br DA-32490 [0,2,0,0,0,0|0,0,0]=2 129 B11R1.865 Cc1c(c(n[nH]1)C(=O)OC)O DA-41802 [0,2,0,0,0,0|0,0,0]=2 130 B11R1.48 CCn1c(cc(n1)C(=O)O)N DA-38081 [0,2,0,0,0,0|1,0,0]=3 131 B11R1.48 Cn1c(cc(n1)C(=O)O)OC DA-37220 [0,2,0,0,0,0|0,0,0]=2 132 B11R1.48 Cn1c(cc(n1)[N+](=O)[O-])CO DA-29197 [0,2,0,0,0,0|1,0,1]=4 133 B11R1.50 CCc1[nH]c(c(n1)C(=O)O)Cl DA-37568 [0,2,0,0,0,0|2,0,0]=4 134 B11R1.175 CC(=O)c1cc(n[nH]1)C(=O)N DA-38116 [0,2,0,0,0,0|1,0,0]=3 135 B11R1.175 CC(=O)c1cc(n[nH]1)C(=O)O DA-38115 [0,2,0,0,0,0|0,0,0]=2 136 B11R1.175 c1c(n[nH]c1[N+](=O)[O-])C(=O)N DA-37067 [0,2,0,0,0,0|2,0,0]=4 137 B11R1.473 CCc1c(c(n[nH]1)C(=O)O)C DA-37382 [0,2,0,0,0,0|0,0,0]=2 138 B11R1.673 Cc1c(c(n(n1)C)C(=O)O)Cl DA-39758 [0,2,0,0,0,0|0,0,2]=4 139 B9R1.2 Cc1cc(ncn1)C=O DA-48009 [1,0,0,0,0,1|0,0,1]=3 140 B9R1.13 c1c(nn[nH]1)CC(=O)O DA-40211 [1,0,0,0,0,1|1,0,1]=4 141 B9R1.13 c1c[nH]nc1CC(=O)O DA-29345 [1,0,0,0,0,1|0,0,0]=2 142 B9R1.13 c1c[nH]nc1CC(=O)O DA-47554 [1,0,0,0,0,1|0,0,0]=2 143 B11R1.20 c1cc(ncc1I)CC(=O)O DA-37279 [0,0,0,0,0,2|2,0,0]=4