0 B10R1.18 c1ccc(cc1)CC(=O)Cl A2Z00093442 [0,0,0,0,0,0|2,0,1]=3 1 B10R1.18 c1ccc(cc1)CC(=S)N A2Z00083382 [0,0,0,0,0,0|1,0,1]=2 2 B10R1.18 c1ccc(cc1)SC(F)F A2Z00049186 [0,0,0,0,0,0|3,0,0]=3 3 B9R1.8 CNCc1ccccc1 A2Z00093451 [1,0,0,0,0,0|1,0,0]=2 4 B9R1.8 [C]=NCc1ccccc1 A2Z00049869 [1,0,0,0,0,0|1,0,1]=3 5 B9R1.8 c1ccc(cc1)CC#N A2Z00093470 [1,0,0,0,0,0|0,0,2]=3 6 B9R1.8 c1ccc(cc1)CCBr A2Z00093579 [1,0,0,0,0,0|1,0,0]=2 7 B9R1.8 c1ccc(cc1)CCN A2Z00046190 [1,0,0,0,0,0|0,0,0]=1 8 B9R1.8 c1ccc(cc1)CNN A2Z00062153 [1,0,0,0,0,0|1,0,0]=2 9 B9R1.8 c1ccnc(c1)CC#N A2Z00097354 [1,0,0,0,0,0|1,0,2]=4 10 B11R1.20 CC(=O)Cc1ccc(cc1)Br A2Z00095994 [0,1,0,0,0,0|1,0,1]=3 11 B11R1.20 CC(C)Nc1ccc(cn1)N A2Z00068688 [0,1,0,0,0,0|3,0,0]=4 12 B11R1.20 Cc1ccc(cc1)NC(=S)N A2Z00075032 [0,1,0,0,0,0|2,0,1]=4 13 B11R1.20 c1cc(ccc1CC(=O)O)O A2Z00062185 [0,1,0,0,0,0|2,0,1]=4 14 B11R1.20 c1cc(ccc1SC(F)F)Br A2Z00094657 [0,1,0,0,0,0|3,0,0]=4 15 B11R1.36 CC(=O)C(c1ccccc1)O A2Z00049601 [0,1,0,0,0,0|1,0,1]=3 16 B11R1.36 c1ccc(cc1)C(C(=O)Cl)Cl A2Z00094848 [0,1,0,0,0,0|2,0,1]=4 17 B11R1.36 c1ccc(cc1)C(C(=O)O)Cl A2Z00094634 [0,1,0,0,0,0|2,0,1]=4 18 B11R1.40 CC(CN)Oc1ccccc1 A2Z00038576 [0,1,0,0,0,0|1,0,0]=2 19 B11R1.40 CC(Cc1ccccc1)CN A2Z00046432 [0,1,0,0,0,0|0,0,0]=1 20 B11R1.40 C\C(=C/c1ccccc1)\C=O A2Z00038627 [0,1,0,0,0,0|1,0,2]=4 21 B11R1.40 c1ccc(cc1)CC(CO)N A2Z00045068 [0,1,0,0,0,0|0,0,0]=1 22 B11R1.40 c1ccc(cc1)NC(=O)CN A2Z00044283 [0,1,0,0,0,0|2,0,1]=4 23 B11R1.40 c1ccc(cc1)NC(=O)CO A2Z00068359 [0,1,0,0,0,0|2,0,1]=4 24 B11R1.86 Cc1cccc[n+]1CC(=O)C A2Z00058852 [0,1,0,0,0,0|2,0,1]=4 25 B11R1.86 Cc1ccccc1NC(=N)N A2Z00074248 [0,1,0,0,0,0|2,0,1]=4 26 B11R1.86 c1ccc(c(c1)CC(=O)O)F A2Z00061208 [0,1,0,0,0,0|2,0,1]=4 27 B11R1.157 CC(=O)Cc1cccc(c1)Br A2Z00095995 [0,1,0,0,0,0|1,0,1]=3 28 B11R1.157 CC(C)Cc1cccc(c1)N A2Z00048066 [0,1,0,0,0,0|1,0,0]=2 29 B11R1.157 CN(C)Cc1cccc(c1)O A2Z00049745 [0,1,0,0,0,0|2,0,0]=3 30 B11R1.157 Cc1cccc(c1)CC(=O)C A2Z00046562 [0,1,0,0,0,0|1,0,1]=3 31 B11R1.509 c1ccc(cc1)CS(=O)(=O)Cl A2Z00095204 [0,1,0,0,0,0|3,0,0]=4 32 B11R2.10 Cc1cc2ccccc2s1 A2Z00094894 [0,0,0,1,0,0|1,0,2]=4 33 B11R2.10 Cc1nc2ccccc2s1 A2Z00096101 [0,0,0,1,0,0|1,0,2]=4 34 B11R2.10 c1ccc2c(c1)[nH]c(n2)Cl A2Z00074312 [0,0,0,1,0,0|2,0,1]=4 35 B11R2.10 c1ccc2c(c1)nc(s2)N A2Z00007218 [0,0,0,1,0,0|2,0,1]=4 36 B9R1.6 CC(=O)c1ccncc1 A2Z00096088 [0,0,0,0,1,0|2,0,1]=4 37 B9R1.6 CC(c1ccccc1)N A2Z00093463 [0,0,0,0,1,0|0,0,0]=1 38 B9R1.6 c1ccc(cc1)C(=N)N A2Z00096156 [0,0,0,0,1,0|1,0,1]=3 39 B9R1.6 c1cnccc1C(=S)N A2Z00098301 [0,0,0,0,1,0|2,0,1]=4 40 B9R1.13 c1cc(sc1)CC(=O)N A2Z00095950 [0,0,0,0,1,0|2,0,1]=4 41 B11R1.91 CC(=O)NCc1ccccn1 A2Z00094956 [0,0,0,0,0,1|2,0,1]=4 42 B11R1.91 CC(C)NCc1ccccc1 A2Z00093460 [0,0,0,0,0,1|1,0,0]=2 43 B11R1.91 c1ccc(cc1)NCC(=O)O A2Z00087068 [0,0,0,0,0,1|2,0,1]=4 44 B11R1.91 c1ccc(cc1)OCC(=S)N A2Z00038412 [0,0,0,0,0,1|1,0,1]=3 45 B8R1.2 CCc1ccncc1 A2Z00096081 [2,0,0,0,0,0|1,0,0]=3 46 B8R1.2 CSc1ccccc1 A2Z00096090 [2,0,0,0,0,0|1,0,0]=3 47 B8R1.2 c1cc(cnc1)CN A2Z00093433 [2,0,0,0,0,0|1,0,0]=3 48 B8R1.2 c1ccc(cc1)CN A2Z00095042 [2,0,0,0,0,0|0,0,0]=2 49 B8R1.2 c1ccnc(c1)NN A2Z00097841 [2,0,0,0,0,0|2,0,0]=4 50 B10R1.1 CCCc1ccc(cc1)O A2Z00038635 [1,1,0,0,0,0|0,0,0]=2 51 B10R1.1 CCOc1ccc(cc1)N A2Z00069288 [1,1,0,0,0,0|1,0,0]=3 52 B10R1.1 c1cc(ccc1CC#N)Cl A2Z00038621 [1,1,0,0,0,0|0,0,2]=4 53 B10R1.1 c1cc(ccc1CC#N)F A2Z00095964 [1,1,0,0,0,0|0,0,2]=4 54 B10R1.1 c1cc(ccc1CCN)F A2Z00093996 [1,1,0,0,0,0|0,0,0]=2 55 B10R1.1 c1cc(ccc1CCN)O A2Z00038672 [1,1,0,0,0,0|0,0,0]=2 56 B10R1.1 c1cc(ccc1CCO)Br A2Z00098377 [1,1,0,0,0,0|1,0,0]=3 57 B10R1.4 C=CCc1ccccc1O A2Z00093534 [1,1,0,0,0,0|0,0,2]=4 58 B10R1.4 CCOc1ccccc1O A2Z00093544 [1,1,0,0,0,0|1,0,0]=3 59 B10R1.4 CCOc1cccnc1N A2Z00069857 [1,1,0,0,0,0|2,0,0]=4 60 B10R1.4 c1ccc(c(c1)CCN)F A2Z00097645 [1,1,0,0,0,0|0,0,0]=2 61 B10R1.4 c1ccc(c(c1)CCN)O A2Z00049546 [1,1,0,0,0,0|0,0,0]=2 62 B10R1.10 CNCc1cccc(c1)O A2Z00038697 [1,1,0,0,0,0|1,0,0]=3 63 B10R1.10 Cc1cccc(c1)CCN A2Z00046191 [1,1,0,0,0,0|0,0,0]=2 64 B10R1.10 c1cc(cc(c1)Cl)CCN A2Z00093997 [1,1,0,0,0,0|0,0,0]=2 65 B10R1.15 CC(C#N)c1ccccc1 A2Z00070459 [1,1,0,0,0,0|0,0,2]=4 66 B10R1.15 CC(CN)c1ccccn1 A2Z00062148 [1,1,0,0,0,0|1,0,0]=3 67 B10R1.15 CC(c1ccccc1)NO A2Z00047942 [1,1,0,0,0,0|2,0,0]=4 68 B10R1.17 CCNCc1ccccc1 A2Z00093459 [1,1,0,0,0,0|0,0,0]=2 69 B10R1.17 CNCCc1ccncc1 A2Z00061328 [1,1,0,0,0,0|1,0,0]=3 70 B10R1.17 c1cc(cnc1)CCCN A2Z00046192 [1,1,0,0,0,0|1,0,0]=3 71 B10R1.17 c1ccc(cc1)CCNN A2Z00095988 [1,1,0,0,0,0|0,0,0]=2 72 B10R1.17 c1ccc(cc1)CCNN A2Z00096724 [1,1,0,0,0,0|0,0,0]=2 73 B10R1.17 c1ccc(cc1)CN=C=O A2Z00094082 [1,1,0,0,0,0|1,0,1]=4 74 B10R1.17 c1ccc(cc1)CN=[N+]=[N-] A2Z00096066 [1,1,0,0,0,0|1,0,1]=4 75 B10R1.17 c1ccc(cc1)OCC#N A2Z00093923 [1,1,0,0,0,0|0,0,2]=4 76 B10R1.17 c1ccc(cc1)OCCO A2Z00038602 [1,1,0,0,0,0|1,0,0]=3 77 B10R1.17 c1ccc(cc1)OCCS A2Z00049974 [1,1,0,0,0,0|1,0,0]=3 78 B10R1.17 c1ccnc(c1)CCC#N A2Z00094742 [1,1,0,0,0,0|1,0,1]=4 79 B10R1.13 CC(=O)c1ccc(cc1)Cl A2Z00038583 [0,1,0,0,1,0|1,0,1]=4 80 B10R1.13 CC(C)c1ccc(cc1)N A2Z00038646 [0,1,0,0,1,0|1,0,0]=3 81 B10R1.13 CC(C)c1ccc(cc1)O A2Z00093536 [0,1,0,0,1,0|1,0,0]=3 82 B10R1.13 CC(c1ccc(cc1)F)Cl A2Z00094295 [0,1,0,0,1,0|1,0,0]=3 83 B10R1.13 CN(C)c1ccc(cc1)Br A2Z00097376 [0,1,0,0,1,0|2,0,0]=4 84 B10R1.13 CN(c1ccc(cc1)F)N A2Z00049175 [0,1,0,0,1,0|1,0,0]=3 85 B10R1.13 Cc1ccc(cc1)C(=S)N A2Z00038400 [0,1,0,0,1,0|1,0,1]=4 86 B10R1.13 c1cc(ccc1C(=N)N)Cl A2Z00098490 [0,1,0,0,1,0|1,0,1]=4 87 B10R1.13 c1cc(ccc1C(=N)N)N A2Z00050462 [0,1,0,0,1,0|1,0,1]=4 88 B10R1.13 c1cc(ccc1C(=N)N)O A2Z00070221 [0,1,0,0,1,0|1,0,1]=4 89 B10R1.13 c1cc(ccc1C(=O)N)Br A2Z00038699 [0,1,0,0,1,0|1,0,1]=4 90 B10R1.13 c1cc(ccc1C(=O)N)O A2Z00093462 [0,1,0,0,1,0|1,0,1]=4 91 B10R1.13 c1cc(ccc1C(=S)N)Br A2Z00085460 [0,1,0,0,1,0|1,0,1]=4 92 B10R1.13 c1cc(ccc1C(=S)N)Cl A2Z00038403 [0,1,0,0,1,0|1,0,1]=4 93 B10R1.13 c1cc(ccc1C(=S)N)F A2Z00093909 [0,1,0,0,1,0|1,0,1]=4 94 B10R1.28 CC(C)(c1ccncc1)O A2Z00094997 [0,1,0,0,1,0|2,0,0]=4 95 B10R1.61 CC(C)c1ccccc1N A2Z00038647 [0,1,0,0,1,0|1,0,0]=3 96 B10R1.61 CC(C)c1ccccc1O A2Z00093538 [0,1,0,0,1,0|1,0,0]=3 97 B10R1.61 CC(c1ccncc1F)O A2Z00050485 [0,1,0,0,1,0|2,0,0]=4 98 B10R1.61 CN(C)c1ccccc1Br A2Z00062284 [0,1,0,0,1,0|2,0,0]=4 99 B10R1.61 Cc1ccccc1C(=O)N A2Z00085447 [0,1,0,0,1,0|1,0,1]=4 100 B10R1.61 c1ccc(c(c1)C(=N)N)F A2Z00074261 [0,1,0,0,1,0|1,0,1]=4 101 B10R1.61 c1ccc(c(c1)C(=O)N)O A2Z00062157 [0,1,0,0,1,0|1,0,1]=4 102 B10R1.61 c1ccc(c(c1)C(=S)N)Cl A2Z00098305 [0,1,0,0,1,0|1,0,1]=4 103 B10R1.61 c1ccc(c(c1)C(=S)N)F A2Z00038401 [0,1,0,0,1,0|1,0,1]=4 104 B10R1.113 CC(=O)c1cccc(c1)Cl A2Z00095936 [0,1,0,0,1,0|1,0,1]=4 105 B10R1.113 CC(C)c1cccc(c1)O A2Z00093539 [0,1,0,0,1,0|1,0,0]=3 106 B10R1.113 CN(C)c1cccc(c1)Br A2Z00097362 [0,1,0,0,1,0|2,0,0]=4 107 B10R1.113 CN(C)c1cccc(c1)N A2Z00061693 [0,1,0,0,1,0|2,0,0]=4 108 B10R1.113 c1cc(cc(c1)Cl)C(=O)N A2Z00095951 [0,1,0,0,1,0|1,0,1]=4 109 B12R1.21 CC(=O)CCc1ccc(cc1)Br A2Z00049942 [0,1,0,0,0,1|1,0,1]=4 110 B12R1.21 CC(CCc1ccc(cc1)Br)N A2Z00049943 [0,1,0,0,0,1|0,0,0]=2 111 B12R1.21 CC(COc1ccc(cc1)Cl)N A2Z00073642 [0,1,0,0,0,1|0,0,0]=2 112 B12R1.27 c1ccc(cc1)CCC(=O)CBr A2Z00094984 [0,1,0,0,0,1|1,0,1]=4 113 B12R1.27 c1ccc(cc1)CNC(=O)CCl A2Z00097817 [0,1,0,0,0,1|1,0,1]=4 114 B12R1.27 c1ccc(cc1)CNC(=O)CO A2Z00068365 [0,1,0,0,0,1|1,0,1]=4 115 B12R1.27 c1ccc(cc1)OCC(=O)NN A2Z00039102 [0,1,0,0,0,1|1,0,1]=4 116 B12R1.43 CC(C)C(Cc1ccccc1)O A2Z00048082 [0,1,0,0,0,1|1,0,0]=3 117 B12R1.43 c1ccc(cc1)C[C@@H](C(=O)N)N A2Z00087537 [0,1,0,0,0,1|1,0,1]=4 118 B12R1.107 CC(=O)CC(=O)c1ccccc1 A2Z00094722 [0,1,0,0,0,1|1,0,1]=4 119 B12R1.107 CC(C)CC(c1ccccc1)O A2Z00048081 [0,1,0,0,0,1|1,0,0]=3 120 B12R1.107 CN(C)CC(=O)c1ccccc1 A2Z00074274 [0,1,0,0,0,1|2,0,0]=4 121 B12R1.125 CC(=O)COc1ccccc1Br A2Z00094587 [0,1,0,0,0,1|1,0,1]=4 122 B12R1.125 Cc1ccccc1OCC(=S)N A2Z00038413 [0,1,0,0,0,1|1,0,1]=4 123 B12R1.226 CC(=O)CCc1cccc(c1)Cl A2Z00094749 [0,1,0,0,0,1|1,0,1]=4 124 B12R1.226 CC(=O)COc1cccc(c1)Br A2Z00094586 [0,1,0,0,0,1|1,0,1]=4 125 B12R1.4 CC(C)Cc1ccc(cc1)C#N A2Z00049184 [0,2,0,0,0,0|1,0,0]=3 126 B12R1.4 COc1ccc(cc1)CC(=S)N A2Z00097997 [0,2,0,0,0,0|1,0,1]=4 127 B12R1.20 CC(C)C(=O)c1ccc(cc1)Cl A2Z00046355 [0,2,0,0,0,0|1,0,1]=4 128 B12R1.20 CC(C)C(=O)c1ccc(cc1)F A2Z00046354 [0,2,0,0,0,0|1,0,1]=4 129 B12R1.20 Cc1ccc(cc1)C(=O)C(C)Br A2Z00070053 [0,2,0,0,0,0|1,0,1]=4 130 B12R1.49 COC(=O)Cc1ccc(cc1)N A2Z00094801 [0,2,0,0,0,0|1,0,1]=4 131 B12R1.106 CC(C)(C)Oc1ccc(cc1)N A2Z00062443 [0,2,0,0,0,0|2,0,0]=4 132 B12R1.106 Cc1ccc(cc1)CC(C)(C)N A2Z00046253 [0,2,0,0,0,0|0,0,0]=2 133 B12R1.233 CN(C)Cc1ccc(cc1Cl)N A2Z00049957 [0,2,0,0,0,0|2,0,0]=4 134 B12R1.34 CCC(C(=O)c1ccccc1)N A2Z00048079 [0,2,0,0,0,0|0,0,1]=3 135 B12R1.34 COC(=O)C(c1ccccc1)N A2Z00096034 [0,2,0,0,0,0|1,0,1]=4 136 B12R1.253 CC(C)S(=O)(=O)c1ccccc1 A2Z00095127 [0,2,0,0,0,0|2,0,0]=4 137 B12R1.478 CC(C)C(C=O)c1ccccc1 A2Z00048076 [0,2,0,0,0,0|1,0,0]=3 138 B12R1.478 CN(C)C(C#N)c1ccccc1 A2Z00083445 [0,2,0,0,0,0|2,0,0]=4 139 B12R1.478 CN(C)C(CN)c1ccccc1 A2Z00039161 [0,2,0,0,0,0|2,0,0]=4 140 B12R1.194 CC(C)(C#N)Nc1ccccc1 A2Z00016789 [0,2,0,0,0,0|1,0,1]=4 141 B12R1.194 CC(C)(Cc1ccccc1)C#N A2Z00070041 [0,2,0,0,0,0|0,0,1]=3 142 B12R1.371 COC(=O)Cc1ccccc1F A2Z00095983 [0,2,0,0,0,0|1,0,1]=4 143 B12R1.371 Cc1ccccc1CC(=O)OC A2Z00095982 [0,2,0,0,0,0|1,0,1]=4 144 B12R1.438 CC(C)Oc1cccc(c1)C=O A2Z00070150 [0,2,0,0,0,0|2,0,0]=4 145 B10R2.6 c1ccc(cc1)C2CN2 A2Z00049782 [1,0,0,1,0,0|0,0,0]=2 146 B12R2.24 CC1CNc2ccccc2O1 A2Z00070209 [0,0,0,1,0,1|1,0,0]=3 147 B12R2.24 CC1Cc2ccccc2NC1 A2Z00046499 [0,0,0,1,0,1|1,0,0]=3 148 B12R2.24 c1ccc2c(c1)CCC(=O)N2 A2Z00074166 [0,0,0,1,0,1|1,0,1]=4 149 B12R2.24 c1ccc2c(c1)NC(=O)CO2 A2Z00083158 [0,0,0,1,0,1|1,0,1]=4 150 B12R2.24 c1ccc2c(c1)NCC(=O)N2 A2Z00039095 [0,0,0,1,0,1|1,0,1]=4 151 B12R2.2403 CC1(CNc2c1cccc2)C A2Z00049178 [0,0,0,1,0,1|1,0,0]=3 152 B12R2.606 CN1Cc2ccc(cc2C1)N A2Z00061635 [0,1,0,1,0,0|2,0,0]=4 153 B12R2.606 Cc1cc2cc(ccc2[nH]1)F A2Z00094211 [0,1,0,1,0,0|0,0,2]=4 154 B12R2.606 c1cc2c(cc1Br)CC(=O)N2 A2Z00094309 [0,1,0,1,0,0|1,0,1]=4 155 B12R2.606 c1cc2c(cc1N)CC(=O)N2 A2Z00095275 [0,1,0,1,0,0|1,0,1]=4 156 B12R2.18 CC1c2ccccc2NC1=O A2Z00049804 [0,1,0,1,0,0|1,0,1]=4 157 B12R2.18 Cc1c(c2ccccc2[nH]1)Br A2Z00061785 [0,1,0,1,0,0|0,0,2]=4 158 B12R2.18 Cc1c(c2ccccc2[nH]1)I A2Z00061802 [0,1,0,1,0,0|0,0,2]=4 159 B12R2.18 Cc1cc2ccccc2n1C A2Z00049652 [0,1,0,1,0,0|0,0,2]=4 160 B12R2.32 CNc1[nH]c2ccccc2n1 A2Z00056900 [0,1,0,1,0,0|1,0,1]=4 161 B12R2.202 Cc1cc2c([nH]1)cccc2O A2Z00096183 [0,1,0,1,0,0|0,0,2]=4 162 B12R2.202 Cc1cc2c(cccc2[nH]1)N A2Z00096014 [0,1,0,1,0,0|0,0,2]=4 163 B12R2.202 c1cc2c(c(c1)Br)NC(=O)C2 A2Z00074262 [0,1,0,1,0,0|1,0,1]=4 164 B12R2.202 c1cc2c(c(c1)Cl)CC(=O)N2 A2Z00095173 [0,1,0,1,0,0|1,0,1]=4 165 B12R2.202 c1cc2c(c(c1)Cl)NC(=O)C2 A2Z00098390 [0,1,0,1,0,0|1,0,1]=4 166 B8R1.8 c1c([nH]cn1)CCN A2Z00050399 [1,0,0,0,1,0|2,0,0]=4 167 B8R1.8 c1c([nH]cn1)CCN A2Z00096061 [1,0,0,0,1,0|2,0,0]=4 168 B8R1.8 c1c(nc[nH]1)CCN A2Z00050200 [1,0,0,0,1,0|2,0,0]=4 169 B8R1.8 c1c(nc[nH]1)CCN A2Z00096418 [1,0,0,0,1,0|2,0,0]=4 170 B8R1.8 c1c(ncs1)CCN A2Z00049940 [1,0,0,0,1,0|2,0,0]=4 171 B8R1.8 c1cc(sc1)CCBr A2Z00096130 [1,0,0,0,1,0|2,0,0]=4 172 B8R1.8 c1cc(sc1)CCO A2Z00095929 [1,0,0,0,1,0|2,0,0]=4 173 B8R1.8 c1cn(cn1)CCN A2Z00087582 [1,0,0,0,1,0|2,0,0]=4 174 B8R1.8 c1cnn(c1)CCN A2Z00087581 [1,0,0,0,1,0|2,0,0]=4 175 B8R1.8 c1csc(n1)CCN A2Z00061620 [1,0,0,0,1,0|2,0,0]=4 176 B8R1.7 CC(c1cccs1)O A2Z00094291 [0,0,0,0,2,0|2,0,0]=4 177 B8R1.7 C[C@@H](c1nccs1)N A2Z00062222 [0,0,0,0,2,0|2,0,0]=4