0 B9R1.13 c1c(ncs1)CC(=O)O A2Z00061633 [0,0,0,0,0,0|3,0,0]=3 1 B9R1.13 c1c[nH]nc1CC(=O)O A2Z00050347 [0,0,0,0,0,0|3,0,0]=3 2 B9R1.13 c1cc(oc1)CC(=O)O A2Z00061737 [0,0,0,0,0,0|1,0,0]=1 3 B9R1.13 c1cc(sc1)CC(=O)Cl A2Z00094074 [0,0,0,0,0,0|1,1,0]=2 4 B9R1.13 c1cc(sc1)CC(=O)N A2Z00095950 [0,0,0,0,0,0|1,1,0]=2 5 B9R1.13 c1cc(sc1)CC(=O)O A2Z00095935 [0,0,0,0,0,0|1,1,0]=2 6 B9R1.13 c1cn[nH]c1CC(=O)O A2Z00096237 [0,0,0,0,0,0|3,0,0]=3 7 B9R1.13 c1cnn(c1)CC(=S)N A2Z00085494 [0,0,0,0,0,0|3,1,0]=4 8 B8R1.8 c1cc(sc1)CCBr A2Z00096130 [1,0,0,0,0,0|1,1,1]=4 9 B8R1.8 c1cc(sc1)CCO A2Z00095929 [1,0,0,0,0,0|0,1,2]=4 10 B8R1.8 c1cc(sc1)N=C=O A2Z00096018 [1,0,0,0,0,0|1,1,1]=4 11 B10R1.27 COC(=O)Cc1cc[nH]n1 A2Z00050448 [0,1,0,0,0,0|2,0,0]=3 12 B10R1.27 COC(=O)Cc1cccs1 A2Z00095990 [0,1,0,0,0,0|0,1,0]=2 13 B10R1.27 COC(=O)Cc1cnn[nH]1 A2Z00096567 [0,1,0,0,0,0|3,0,0]=4 14 B10R1.54 Cc1cc(no1)CC(=O)O A2Z00047214 [0,1,0,0,0,0|3,0,0]=4 15 B10R1.54 Cc1cc(no1)NC(=O)C A2Z00039131 [0,1,0,0,0,0|3,0,0]=4 16 B10R1.54 Cc1ccc(o1)CC(=O)O A2Z00049556 [0,1,0,0,0,0|1,0,0]=2 17 B10R1.54 Cc1ccc(o1)CN(C)C A2Z00096304 [0,1,0,0,0,0|2,0,0]=3 18 B10R1.54 Cc1nc(co1)CC(=O)O A2Z00049434 [0,1,0,0,0,0|3,0,0]=4 19 B10R1.54 Cc1nnc(o1)CC(=O)O A2Z00047076 [0,1,0,0,0,0|3,0,0]=4 20 B10R1.54 c1cc(sc1CC(=O)O)Br A2Z00050168 [0,1,0,0,0,0|1,1,0]=3 21 B8R1.7 CC(=O)c1cccs1 A2Z00050162 [0,0,0,0,1,0|0,1,0]=2 22 B8R1.7 CC(=O)c1cncs1 A2Z00085476 [0,0,0,0,1,0|1,1,0]=3 23 B8R1.7 CC(c1cccs1)O A2Z00094291 [0,0,0,0,1,0|0,1,2]=4 24 B8R1.7 c1c(ncs1)C(=O)N A2Z00050185 [0,0,0,0,1,0|3,0,0]=4 25 B8R1.7 c1c(ncs1)C(=O)O A2Z00061631 [0,0,0,0,1,0|3,0,0]=4 26 B8R1.7 c1cc([nH]c1)C(=O)O A2Z00070219 [0,0,0,0,1,0|2,0,0]=3 27 B8R1.7 c1cc(oc1)C(=O)O A2Z00093505 [0,0,0,0,1,0|1,0,0]=2 28 B8R1.7 c1cc(sc1)C(=S)N A2Z00038399 [0,0,0,0,1,0|1,2,0]=4 29 B8R1.7 c1cnoc1C(=O)O A2Z00096002 [0,0,0,0,1,0|2,0,0]=3 30 B10R1.18 c1ccc(cc1)CC(=O)Cl A2Z00093442 [0,0,0,0,0,1|2,0,0]=3 31 B10R1.18 c1ccc(cc1)CC(=S)N A2Z00083382 [0,0,0,0,0,1|2,1,0]=4 32 B10R1.66 CC(C)NCc1ccco1 A2Z00087006 [0,0,0,0,0,1|1,0,1]=3 33 B10R1.66 c1cc([nH]c1)CCC(=O)O A2Z00094982 [0,0,0,0,0,1|2,0,0]=3 34 B10R1.66 c1cc([nH]c1)\C=C\C(=O)O A2Z00094929 [0,0,0,0,0,1|2,0,1]=4 35 B10R1.66 c1cc(oc1)CCC(=O)O A2Z00095303 [0,0,0,0,0,1|1,0,0]=2 36 B10R1.66 c1cc(oc1)\C=C\C(=O)Cl A2Z00095952 [0,0,0,0,0,1|1,0,1]=3 37 B10R1.66 c1cc(oc1)\C=C\C(=O)O A2Z00085545 [0,0,0,0,0,1|1,0,1]=3 38 B10R1.66 c1cc(sc1)CCC(=O)O A2Z00095188 [0,0,0,0,0,1|1,1,0]=3 39 B10R1.66 c1cc(sc1)\C=C\C(=O)O A2Z00096656 [0,0,0,0,0,1|1,1,1]=4 40 B7R0.2 CC(=O)CC(=O)OC A2Z00093511 [1,0,1,0,0,0|1,0,1]=4 41 B7R1.1 c1cc([nH]c1)CN A2Z00061420 [2,0,0,0,0,0|2,0,0]=4 42 B7R1.1 c1cnoc1CO A2Z00096001 [2,0,0,0,0,0|1,0,1]=4 43 B7R1.1 c1cscc1C=O A2Z00050189 [2,0,0,0,0,0|2,0,0]=4 44 B9R1.12 c1cc([nH]c1)\C=C\C=O A2Z00094927 [1,1,0,0,0,0|1,0,1]=4 45 B9R1.12 c1cc(oc1)\C=C\C=O A2Z00094719 [1,1,0,0,0,0|0,0,1]=3 46 B9R1.35 CC(=O)c1ccc(o1)Br A2Z00062313 [0,1,0,0,1,0|0,0,0]=2 47 B9R1.35 Cc1cnc(o1)C(=O)O A2Z00050346 [0,1,0,0,1,0|2,0,0]=4 48 B9R1.35 c1cc(oc1C(=O)O)Br A2Z00033998 [0,1,0,0,1,0|1,0,0]=3 49 B9R1.35 c1cc(sc1C(=O)O)Cl A2Z00095939 [0,1,0,0,1,0|1,1,0]=4 50 B9R1.41 CC(=O)c1c(ncs1)Br A2Z00050247 [0,1,0,0,1,0|1,1,0]=4 51 B9R1.41 Cc1c(ocn1)C(=O)O A2Z00049433 [0,1,0,0,1,0|2,0,0]=4 52 B9R1.41 Cc1ccsc1C(=O)O A2Z00095998 [0,1,0,0,1,0|1,1,0]=4 53 B9R1.41 c1csc(c1O)C(=O)N A2Z00061416 [0,1,0,0,1,0|1,1,0]=4 54 B11R1.20 CC(=O)Cc1ccc(cc1)Br A2Z00095994 [0,1,0,0,0,1|1,0,0]=3 55 B11R1.20 c1cc(ccc1CC(=O)O)O A2Z00062185 [0,1,0,0,0,1|2,0,0]=4 56 B11R1.36 CC(=O)C(c1ccccc1)O A2Z00049601 [0,1,0,0,0,1|1,0,0]=3 57 B11R1.36 c1ccc(cc1)C(C(=O)Cl)Cl A2Z00094848 [0,1,0,0,0,1|2,0,0]=4 58 B11R1.36 c1ccc(cc1)C(C(=O)O)Cl A2Z00094634 [0,1,0,0,0,1|2,0,0]=4 59 B11R1.40 C\C(=C/c1ccccc1)\C=O A2Z00038627 [0,1,0,0,0,1|1,0,1]=4 60 B11R1.40 c1ccc(cc1)NC(=O)CN A2Z00044283 [0,1,0,0,0,1|2,0,0]=4 61 B11R1.40 c1ccc(cc1)NC(=O)CO A2Z00068359 [0,1,0,0,0,1|2,0,0]=4 62 B11R1.86 Cc1cccc[n+]1CC(=O)C A2Z00058852 [0,1,0,0,0,1|2,0,0]=4 63 B11R1.86 c1ccc(c(c1)CC(=O)O)F A2Z00061208 [0,1,0,0,0,1|2,0,0]=4 64 B11R1.157 CC(=O)Cc1cccc(c1)Br A2Z00095995 [0,1,0,0,0,1|1,0,0]=3 65 B11R1.157 CC(=O)Nc1ccnc(c1)Cl A2Z00029852 [0,1,0,0,0,1|2,0,0]=4 66 B11R1.157 Cc1cccc(c1)CC(=O)C A2Z00046562 [0,1,0,0,0,1|1,0,0]=3 67 B11R1.25 COC(=O)\C=C\c1cccs1 A2Z00096369 [0,1,0,0,0,1|0,1,1]=4 68 B11R1.25 c1cc(oc1)CNC(=O)CCl A2Z00056809 [0,1,0,0,0,1|0,0,0]=2 69 B11R1.75 c1c(onc1Cl)CCC(=O)O A2Z00087366 [0,1,0,0,0,1|2,0,0]=4 70 B11R1.298 CN(C)C(CN)c1ccco1 A2Z00039211 [0,2,0,0,0,0|2,0,0]=4 71 B11R1.76 Cc1ccc(o1)C[N+](C)(C)C A2Z00096683 [0,2,0,0,0,0|2,0,0]=4 72 B11R1.645 Cc1cc(oc1CC(=O)O)C A2Z00050324 [0,2,0,0,0,0|1,0,0]=3 73 B9R1.8 CNCc1ccccc1 A2Z00093451 [1,0,0,0,0,1|2,0,0]=4 74 B11R1.91 CC(=O)NCc1ccccn1 A2Z00094956 [0,0,0,0,0,2|1,0,0]=3 75 B11R1.91 c1cc(cnc1)NCC(=O)O A2Z00049604 [0,0,0,0,0,2|2,0,0]=4 76 B11R1.91 c1ccc(cc1)NCC(=O)O A2Z00087068 [0,0,0,0,0,2|2,0,0]=4 77 B11R1.91 c1ccnc(c1)CCC(=O)O A2Z00094491 [0,0,0,0,0,2|2,0,0]=4