0 B10R1.17 C1=CC=C(C=C1)C#CCO PI-48957 [0,0,0,0,0,0|0,0,4]=4 1 B10R1.17 C1=CC=C(C=C1)CN=C=S PI-28698 [0,0,0,0,0,0|1,1,2]=4 2 B10R1.17 C1=CC=C(C=C1)COCCl PI-28438 [0,0,0,0,0,0|2,0,2]=4 3 B10R1.17 C1=CC=C(C=C1)NNC=O PI-29787 [0,0,0,0,0,0|2,0,0]=2 4 B10R1.17 C1=CC=C(C=C1)OCCBr PI-31495 [0,0,0,0,0,0|2,0,2]=4 5 B10R1.17 C1=CC=C(C=C1)OCCCl PI-12172 [0,0,0,0,0,0|2,0,2]=4 6 B10R1.17 C1=CC=C(C=C1)OCCN PI-12173 [0,0,0,0,0,0|2,0,2]=4 7 B10R1.17 C1=CC=C(C=C1)\C=C\CBr PI-46926 [0,0,0,0,0,0|1,0,1]=2 8 B10R1.17 C=CCOc1ccccc1 PI-36466 [0,0,0,0,0,0|2,0,1]=3 9 B10R1.17 CCCSC1=CC=CC=C1 PI-19961 [0,0,0,0,0,0|2,0,2]=4 10 B10R1.17 ClCCCc1ccccc1 PI-33374 [0,0,0,0,0,0|1,0,3]=4 11 B10R1.17 ClCSCc1ccccc1 PI-19537 [0,0,0,0,0,0|2,0,2]=4 12 B10R1.17 N#CSCc1ccccc1 PI-32979 [0,0,0,0,0,0|2,0,2]=4 13 B10R1.17 N#C\C=C\c1ccccc1 PI-12934 [0,0,0,0,0,0|1,0,1]=2 14 B10R1.17 NCCCc1ccccc1 PI-11351 [0,0,0,0,0,0|1,0,3]=4 15 B10R1.17 O=CC#Cc1ccccc1 PI-33868 [0,0,0,0,0,0|0,0,2]=2 16 B10R1.17 [NH-]=[N+]=NCc1ccccc1 PI-14174 [0,0,0,0,0,0|3,0,1]=4 17 B9R1.8 BrC#Cc1ccccc1 PI-38808 [1,0,0,0,0,0|1,0,2]=4 18 B9R1.8 C1=CC=C(C=C1)C=CBr PI-12915 [1,0,0,0,0,0|1,0,0]=2 19 B9R1.8 C1=CC=C(C=C1)CCS PI-48520 [1,0,0,0,0,0|0,1,2]=4 20 B9R1.8 C1=CC=C(C=C1)CNN PI-12194 [1,0,0,0,0,0|2,0,1]=4 21 B9R1.8 C1=CC=C(C=C1)CNN PI-12195 [1,0,0,0,0,0|2,0,1]=4 22 B9R1.8 C1=CC=C(C=C1)CON PI-48767 [1,0,0,0,0,0|2,0,1]=4 23 B9R1.8 C1=CN=CC=C1C=NO PI-41016 [1,0,0,0,0,0|2,0,1]=4 24 B9R1.8 C=CCC1=CC=CC=C1 PI-36465 [1,0,0,0,0,0|0,0,1]=2 25 B9R1.8 CC#CC1=CC=CC=C1 PI-48954 [1,0,0,0,0,0|0,0,3]=4 26 B9R1.8 COCC1=CC=CC=C1 PI-19695 [1,0,0,0,0,0|1,0,2]=4 27 B9R1.8 C\C=C\C1=CC=CC=C1 PI-42685 [1,0,0,0,0,0|0,0,1]=2 28 B9R1.8 C\C=C\C1=CC=CC=C1 PI-46536 [1,0,0,0,0,0|0,0,1]=2 29 B9R1.8 NOCc1ccccc1 PI-11329 [1,0,0,0,0,0|2,0,1]=4 30 B9R1.8 O=C=Nc1cccnc1 PI-38566 [1,0,0,0,0,0|2,0,1]=4 31 B9R1.8 ONCC1=CC=CC=C1 PI-42266 [1,0,0,0,0,0|1,0,2]=4 32 B9R1.8 O\N=C\c1ccccn1 PI-38007 [1,0,0,0,0,0|2,0,1]=4 33 B11R1.1 C1=CC(=CC=C1C=CC#N)F PI-23561 [0,1,0,0,0,0|1,0,1]=3 34 B11R1.1 C1=CC(=CC=C1CCC=O)F PI-45774 [0,1,0,0,0,0|0,0,2]=3 35 B11R1.1 C1=CC(=CC=C1\C=C\C=O)Br PI-46501 [0,1,0,0,0,0|0,0,0]=1 36 B11R1.1 C1=CC(=CC=C1\C=C\C=O)F PI-46524 [0,1,0,0,0,0|0,0,0]=1 37 B11R1.1 C=CCOC1=CC=C(C=C1)Cl PI-30132 [0,1,0,0,0,0|2,0,1]=4 38 B11R1.1 CC1=CC=C(C=C1)CCC=C PI-50176 [0,1,0,0,0,0|1,0,2]=4 39 B11R1.1 CC1=CC=C(C=C1)CN=C=O PI-11439 [0,1,0,0,0,0|1,0,2]=4 40 B11R1.1 O=C=NCc1ccc(cc1)F PI-19104 [0,1,0,0,0,0|1,0,2]=4 41 B11R1.1 O=C\C=C/c1ccc(F)cc1 PI-32827 [0,1,0,0,0,0|0,0,0]=1 42 B11R1.16 C1=CC=C(C=C1)C(=O)N=C=O PI-50644 [0,1,0,0,0,0|1,0,1]=3 43 B11R1.16 C=COC(=O)C1=CC=CC=C1 PI-44652 [0,1,0,0,0,0|2,0,0]=3 44 B11R1.16 CCOC(=N)C1=CC=CC=C1 PI-46544 [0,1,0,0,0,0|2,0,1]=4 45 B11R1.16 CNOC(=O)C1=CC=CC=C1 PI-46922 [0,1,0,0,0,0|3,0,0]=4 46 B11R1.16 COCC(=O)c1ccccc1 PI-11856 [0,1,0,0,0,0|2,0,1]=4 47 B11R1.16 ClCCC(=O)c1ccccc1 PI-11246 [0,1,0,0,0,0|1,0,2]=4 48 B11R1.16 N#CCC(=O)c1ccccc1 PI-14837 [0,1,0,0,0,0|1,0,2]=4 49 B11R1.16 O=C(OCCl)C1=CC=CC=C1 PI-40036 [0,1,0,0,0,0|2,0,1]=4 50 B11R1.16 O\N=C\C(=O)c1ccccc1 PI-29665 [0,1,0,0,0,0|1,0,1]=3 51 B11R1.16 S=C=NC(=O)c1ccccc1 PI-14851 [0,1,0,0,0,0|1,1,1]=4 52 B11R1.17 C1=CC=C(C(=C1)CN=C=O)F PI-26108 [0,1,0,0,0,0|1,0,2]=4 53 B11R1.17 C1=CC=C(C(=C1)\C=C\C=O)Br PI-46499 [0,1,0,0,0,0|0,0,0]=1 54 B11R1.17 C1=CC=C(C(=C1)\C=C\C=O)F PI-46537 [0,1,0,0,0,0|0,0,0]=1 55 B11R1.17 CC1=CC=CC=C1CN=C=O PI-11437 [0,1,0,0,0,0|1,0,2]=4 56 B11R1.24 C1=CC(=CC(=C1)Br)\C=C\C=O PI-46500 [0,1,0,0,0,0|0,0,0]=1 57 B11R1.24 C1=CC(=CC(=C1)Cl)\C=C\C=O PI-46546 [0,1,0,0,0,0|0,0,0]=1 58 B11R1.24 CC1=CC(=CC=C1)CN=C=O PI-11438 [0,1,0,0,0,0|1,0,2]=4 59 B11R1.24 O=C=NCc1cccc(c1)F PI-26032 [0,1,0,0,0,0|1,0,2]=4 60 B11R1.24 O=C\C=C\C1=CC=CC(F)=C1 PI-46535 [0,1,0,0,0,0|0,0,0]=1 61 B11R1.40 C1=CC=C(C=C1)C=C(C=O)Br PI-12957 [0,1,0,0,0,0|0,0,0]=1 62 B11R1.40 C1=CC=C(C=C1)CC(=O)NN PI-30983 [0,1,0,0,0,0|2,0,1]=4 63 B11R1.40 C1=CC=C(C=C1)NC(=S)NN PI-29671 [0,1,0,0,0,0|3,0,0]=4 64 B11R1.40 C=CC(OC1=CC=CC=C1)=O PI-41188 [0,1,0,0,0,0|2,0,0]=3 65 B11R1.40 CCC(=O)CC1=CC=CC=C1 PI-47129 [0,1,0,0,0,0|1,0,2]=4 66 B11R1.40 CNC(=S)Nc1ccccc1 PI-24288 [0,1,0,0,0,0|3,0,0]=4 67 B11R1.40 CNC(=S)Nc1ccccc1 PI-30591 [0,1,0,0,0,0|3,0,0]=4 68 B11R1.40 ClCC(=O)Nc1ccccc1 PI-15656 [0,1,0,0,0,0|2,0,1]=4 69 B11R1.91 C1=CC(=CN=C1)C=C[N+](=O)[O-] PI-27470 [0,1,0,0,0,0|2,0,0]=3 70 B11R1.91 C1=CC=C(C=C1)C=CC(=O)[O-] PI-12955 [0,1,0,0,0,0|0,0,0]=1 71 B11R1.91 C1=CC=C(C=C1)CCC(=O)Cl PI-11944 [0,1,0,0,0,0|0,0,2]=3 72 B11R1.91 C1=CC=C(C=C1)NCC(=O)O PI-14870 [0,1,0,0,0,0|1,0,1]=3 73 B11R1.91 C1=CC=C(C=C1)OCC(=O)O PI-32615 [0,1,0,0,0,0|1,0,1]=3 74 B11R1.91 C1=CC=C(C=C1)OCC(=O)[O-] PI-50538 [0,1,0,0,0,0|1,0,1]=3 75 B11R1.91 C1=CN=CC=C1SCC(=O)Cl PI-45977 [0,1,0,0,0,0|2,0,1]=4 76 B11R1.91 CC(=NNC1=CC=CC=C1)C PI-44567 [0,1,0,0,0,0|3,0,0]=4 77 B11R1.91 CC(=O)NNc1ccccc1 PI-32317 [0,1,0,0,0,0|2,0,0]=3 78 B11R1.91 CC(C)N=CC1=CC=CC=C1 PI-19838 [0,1,0,0,0,0|2,0,1]=4 79 B11R1.91 CN(C)N=CC1=CC=CC=C1 PI-26056 [0,1,0,0,0,0|3,0,0]=4 80 B11R1.91 NC(=O)\C=C\c1ccccc1 PI-30792 [0,1,0,0,0,0|0,0,0]=1 81 B11R1.91 NC(=S)NCc1ccccc1 PI-20347 [0,1,0,0,0,0|1,1,1]=4 82 B11R1.91 OB(\C=C\c1ccccc1)O PI-25014 [0,1,0,0,0,0|1,0,1]=3 83 B11R1.91 OC(=O)C#Cc1ccccc1 PI-28707 [0,1,0,0,0,0|0,0,2]=3 84 B11R1.91 OC(=O)\C=C\c1ccccn1 PI-28790 [0,1,0,0,0,0|1,0,0]=2 85 B11R1.91 OC(=O)\C=C\c1cccnc1 PI-28055 [0,1,0,0,0,0|1,0,0]=2 86 B11R1.91 OC(=O)\C=C\c1ccncc1 PI-31341 [0,1,0,0,0,0|1,0,0]=2 87 B11R1.91 [O-]C(=O)CNc1ccccc1 PI-17946 [0,1,0,0,0,0|1,0,1]=3 88 B11R1.91 [O-][N+](=O)CCc1ccccc1 PI-35182 [0,1,0,0,0,0|1,0,2]=4 89 B11R1.91 [O-][N+](=O)\C=C\c1ccccc1 PI-36903 [0,1,0,0,0,0|1,0,0]=2 90 B11R2.1 BrC1=CSC2=NC=CC=C21 PI-46726 [0,0,0,1,0,0|3,0,0]=4 91 B11R2.1 C1=CC2=C(NC=C2Br)N=C1 PI-41228 [0,0,0,1,0,0|3,0,0]=4 92 B11R2.1 C1=CC2=C(NC=C2Cl)N=C1 PI-42708 [0,0,0,1,0,0|3,0,0]=4 93 B11R2.1 C1=CC2=C(NN=C2C=C1)Br PI-34805 [0,0,0,1,0,0|3,0,0]=4 94 B11R2.1 C1=CC2=NNC(=O)N2C=C1 PI-11229 [0,0,0,1,0,0|3,0,0]=4 95 B11R2.1 C1=CC=C2C(=C1)C(=CN2)Br PI-34828 [0,0,0,1,0,0|2,0,0]=3 96 B11R2.1 C1=CC=C2C(=C1)C(=CO2)Br PI-17445 [0,0,0,1,0,0|2,0,0]=3 97 B11R2.1 C1=CC=C2C(=C1)C(=CS2)Br PI-14249 [0,0,0,1,0,0|2,0,0]=3 98 B11R2.1 C1=CC=C2C(=C1)C(=CS2)O PI-14308 [0,0,0,1,0,0|1,0,1]=3 99 B11R2.1 C1=CC=C2C(=C1)C(=NO2)N PI-14154 [0,0,0,1,0,0|3,0,0]=4 100 B11R2.1 C1=CC=C2C(=C1)C(=NS2)Cl PI-12200 [0,0,0,1,0,0|3,0,0]=4 101 B11R2.1 C1=CC=C2C(=C1)C(=O)NS2 PI-11536 [0,0,0,1,0,0|2,0,0]=3 102 B11R2.1 C1=CC=C2C(=C1)C=CS2=O PI-14312 [0,0,0,1,0,0|1,0,0]=2 103 B11R2.1 C1=CC=C2C(=C1)C=NN2N PI-44096 [0,0,0,1,0,0|3,0,0]=4 104 B11R2.1 C1C(=O)C2=CC=CC=C2O1 PI-27871 [0,0,0,1,0,0|1,0,1]=3 105 B11R2.1 C1C(=O)C2=CC=CC=C2O1 PI-33947 [0,0,0,1,0,0|1,0,1]=3 106 B11R2.1 C1C2=C(C(=O)O1)N=CC=C2 PI-40243 [0,0,0,1,0,0|2,0,1]=4 107 B11R2.1 C1CC(=O)C2=CC=CC=C21 PI-12356 [0,0,0,1,0,0|0,0,2]=3 108 B11R2.1 CC1=CSC2=CC=CC=C12 PI-26140 [0,0,0,1,0,0|2,0,0]=3 109 B11R2.1 CN1C=NC2=CC=CC=C21 PI-11703 [0,0,0,1,0,0|3,0,0]=4 110 B11R2.1 Cc1c[nH]c2c1cccc2 PI-10761 [0,0,0,1,0,0|2,0,0]=3 111 B11R2.1 ClC1=CNC2=C1C=NC=C2 PI-36987 [0,0,0,1,0,0|3,0,0]=4 112 B11R2.1 ClC1=NOC2=C1C=CC=C2 PI-15670 [0,0,0,1,0,0|3,0,0]=4 113 B11R2.1 Cn1ccc2ccccc12 PI-11080 [0,0,0,1,0,0|2,0,0]=3 114 B11R2.1 NC1=CNC2=C1C=NC=C2 PI-36984 [0,0,0,1,0,0|3,0,0]=4 115 B11R2.1 O=C1C2=CC=CC=C2SC1 PI-42644 [0,0,0,1,0,0|1,0,1]=3 116 B11R2.1 O=C1OCc2c1cccc2 PI-33738 [0,0,0,1,0,0|1,0,1]=3 117 B11R2.1 O=C1SSC2=CC=CC=C12 PI-41753 [0,0,0,1,0,0|2,0,0]=3 118 B11R2.20 C12=CC=CN=C1C=CC=C2 PI-47013 [0,0,0,1,0,0|1,0,0]=2 119 B11R2.20 C1=CC2=C(C=CN=C2)N=C1 PI-13294 [0,0,0,1,0,0|2,0,0]=3 120 B11R2.20 C1=CC2=C(N=C1)N=CC=C2 PI-18404 [0,0,0,1,0,0|2,0,0]=3 121 B11R2.20 C1=CC2=NC=CN=C2N=C1 PI-25440 [0,0,0,1,0,0|3,0,0]=4 122 B11R2.20 C1=CC=C2C(=C1)C=CC=N2 PI-29663 [0,0,0,1,0,0|1,0,0]=2 123 B11R2.20 C1=Cc2c(CC1)cccc2 PI-25582 [0,0,0,1,0,0|1,0,1]=3 124 B11R2.20 C1CN=CC2=CC=CC=C21 PI-17411 [0,0,0,1,0,0|2,0,1]=4 125 B11R2.20 c1ccc2c(c1)cnnc2 PI-38024 [0,0,0,1,0,0|3,0,0]=4 126 B11R2.20 c1cnc2c(c1)nccc2 PI-18405 [0,0,0,1,0,0|2,0,0]=3 127 B8R1.2 BrCC1=CC=CC=C1 PI-36476 [2,0,0,0,0,0|1,0,1]=4 128 B8R1.2 C#CC1=CC=CC=C1 PI-48958 [2,0,0,0,0,0|0,0,2]=4 129 B8R1.2 C1=CN=C(N=C1)C=O PI-32954 [2,0,0,0,0,0|2,0,0]=4 130 B8R1.2 C1=CN=CN=C1C=O PI-34868 [2,0,0,0,0,0|2,0,0]=4 131 B8R1.2 NCC1=CC=CC=C1 PI-37209 [2,0,0,0,0,0|1,0,1]=4 132 B8R1.2 NNC1=CC=CC=C1 PI-41551 [2,0,0,0,0,0|2,0,0]=4 133 B8R1.2 O=Cc1ccccn1 PI-33895 [2,0,0,0,0,0|1,0,0]=3 134 B8R1.2 O=Cc1cccnc1 PI-33908 [2,0,0,0,0,0|1,0,0]=3 135 B8R1.2 O=Cc1ccncc1 PI-13140 [2,0,0,0,0,0|1,0,0]=3 136 B8R1.2 ONc1ccccc1 PI-38448 [2,0,0,0,0,0|1,0,1]=4 137 B8R1.2 [C-]#CC1=CC=CC=C1 PI-48435 [2,0,0,0,0,0|0,0,2]=4 138 B10R1.1 C1=CC(=CC=C1C=NO)Cl PI-27545 [1,1,0,0,0,0|1,0,1]=4 139 B10R1.1 C1=CC(=CC=C1C=NO)F PI-23440 [1,1,0,0,0,0|1,0,1]=4 140 B10R1.1 C1=CC(=CC=C1N=C=O)F PI-19081 [1,1,0,0,0,0|1,0,1]=4 141 B10R1.1 O=C=Nc1ccc(cc1)C PI-11411 [1,1,0,0,0,0|1,0,1]=4 142 B10R1.1 O=C=Nc1ccc(cc1)Cl PI-11417 [1,1,0,0,0,0|1,0,1]=4 143 B10R1.4 C1=CC=C(C(=C1)C=NN)O PI-27488 [1,1,0,0,0,0|2,0,0]=4 144 B10R1.4 C1=CC=C(C(=C1)C=NO)Br PI-27497 [1,1,0,0,0,0|1,0,1]=4 145 B10R1.4 C1=CC=C(C(=C1)C=NO)Cl PI-23126 [1,1,0,0,0,0|1,0,1]=4 146 B10R1.4 C1=CC=C(C(=C1)N=C=O)Br PI-14503 [1,1,0,0,0,0|1,0,1]=4 147 B10R1.4 C1=CC=C(C(=C1)N=C=O)Cl PI-11418 [1,1,0,0,0,0|1,0,1]=4 148 B10R1.4 C=CCC1=CC=CC=C1O PI-46039 [1,1,0,0,0,0|0,0,1]=3 149 B10R1.4 CC1=CC=CC=C1N=C=O PI-11410 [1,1,0,0,0,0|1,0,1]=4 150 B10R1.4 O=C=Nc1ccccc1F PI-26192 [1,1,0,0,0,0|1,0,1]=4 151 B10R1.10 C1=CC(=CC(=C1)Br)C=NO PI-27659 [1,1,0,0,0,0|1,0,1]=4 152 B10R1.10 C1=CC(=CC(=C1)Cl)C=NO PI-27977 [1,1,0,0,0,0|1,0,1]=4 153 B10R1.10 C1=CC(=CC(=C1)F)N=C=O PI-19552 [1,1,0,0,0,0|1,0,1]=4 154 B10R1.10 CC1=CC(=CC=C1)N=C=O PI-50375 [1,1,0,0,0,0|1,0,1]=4 155 B10R1.15 C1=CC=C(C=C1)C(=O)C#N PI-11000 [1,1,0,0,0,0|1,0,1]=4 156 B10R1.15 C1=CC=C(C=C1)C(=O)C=O PI-30054 [1,1,0,0,0,0|0,0,0]=2 157 B10R1.15 C1=CC=C(C=C1)C(=O)NO PI-10934 [1,1,0,0,0,0|1,0,1]=4 158 B10R1.15 CC(=NO)C1=CC=CC=C1 PI-29764 [1,1,0,0,0,0|1,0,1]=4 159 B10R1.15 CNC(=O)c1ccccc1 PI-29765 [1,1,0,0,0,0|1,0,1]=4 160 B10R1.15 COC(=N)C1=CC=CC=C1 PI-19741 [1,1,0,0,0,0|1,0,1]=4 161 B10R1.15 NCC(=O)c1ccccc1 PI-29691 [1,1,0,0,0,0|1,0,1]=4 162 B10R1.15 OCC(=O)c1ccccc1 PI-11851 [1,1,0,0,0,0|0,0,2]=4 163 B10R1.15 O\N=C(/c1ccccc1)\Cl PI-23127 [1,1,0,0,0,0|1,0,1]=4 164 B10R1.15 O\N=C(\c1ccccc1)/N PI-14770 [1,1,0,0,0,0|1,0,1]=4 165 B10R1.18 BrC(=Cc1ccccc1)Br PI-35682 [1,1,0,0,0,0|1,0,0]=3 166 B10R1.18 C1=CC(=CN=C1)CC(=O)O PI-13521 [1,1,0,0,0,0|1,0,1]=4 167 B10R1.18 C1=CC(=CN=C1)CC(=O)O PI-16758 [1,1,0,0,0,0|1,0,1]=4 168 B10R1.18 C1=CC=C(C=C1)N=C(N)N PI-11304 [1,1,0,0,0,0|2,0,0]=4 169 B10R1.18 C1=CC=C(C=C1)OC(=O)N PI-10948 [1,1,0,0,0,0|1,0,0]=3 170 B10R1.18 C1=CC=NC(=C1)CC(=O)O PI-16725 [1,1,0,0,0,0|1,0,1]=4 171 B10R1.18 C1=CC=[N+](C=C1)CC(=O)N PI-15939 [1,1,0,0,0,0|1,0,1]=4 172 B10R1.18 CC(=CC1=CC=CC=C1)C PI-47118 [1,1,0,0,0,0|0,0,1]=3 173 B10R1.18 CC(=O)CC1=CC=NC=C1 PI-24530 [1,1,0,0,0,0|1,0,1]=4 174 B10R1.18 CC(=O)C[N+]1=CC=CC=C1 PI-17935 [1,1,0,0,0,0|1,0,1]=4 175 B10R1.18 CC(=O)C[N+]1=CC=CC=C1 PI-30609 [1,1,0,0,0,0|1,0,1]=4 176 B10R1.18 CC(CC1=NC=CC=C1)=O PI-41787 [1,1,0,0,0,0|1,0,1]=4 177 B10R1.18 ClC(=S)Oc1ccccc1 PI-13044 [1,1,0,0,0,0|1,1,0]=4 178 B10R1.18 NC(=Nc1ccccc1)N PI-20950 [1,1,0,0,0,0|2,0,0]=4 179 B10R1.18 OC(=O)Cc1cccnc1 PI-28588 [1,1,0,0,0,0|1,0,1]=4 180 B10R1.18 OC(=O)Cc1ccncc1 PI-16726 [1,1,0,0,0,0|1,0,1]=4 181 B10R1.66 C1=COC(=C1)C=C[N+](=O)[O-] PI-17051 [0,1,0,0,1,0|2,0,0]=4 182 B10R1.66 C1=COC=C1C=CC(=O)O PI-17379 [0,1,0,0,1,0|1,0,0]=3 183 B10R1.66 C1=CSC(=C1)C=C[N+](=O)[O-] PI-24337 [0,1,0,0,1,0|2,0,0]=4 184 B10R1.66 C1=CSC(=C1)C=C[N+](=O)[O-] PI-31466 [0,1,0,0,1,0|2,0,0]=4 185 B10R1.66 C1=CSC=C1C=CC(=O)O PI-29082 [0,1,0,0,1,0|1,0,0]=3 186 B10R1.66 CC(=O)C=CC1=CC=CO1 PI-17492 [0,1,0,0,1,0|1,0,0]=3 187 B10R1.66 CC(=O)C=CC1=CC=CS1 PI-29954 [0,1,0,0,1,0|1,0,0]=3 188 B10R1.66 OC(=O)\C=C\c1c[nH]cn1 PI-27057 [0,1,0,0,1,0|2,0,0]=4 189 B10R1.66 OC(=O)\C=C\c1ccco1 PI-28626 [0,1,0,0,1,0|1,0,0]=3 190 B10R1.66 OC(=O)\C=C\c1ccco1 PI-31027 [0,1,0,0,1,0|1,0,0]=3 191 B10R1.66 OC(=O)\C=C\c1cccs1 PI-28053 [0,1,0,0,1,0|1,0,0]=3 192 B10R1.66 OC(=O)\C=C\c1cccs1 PI-39126 [0,1,0,0,1,0|1,0,0]=3 193 B12R1.16 C1=CC(=CC=C1C(=CC#N)Cl)Cl PI-23685 [0,2,0,0,0,0|1,0,1]=4 194 B12R1.21 B(C=CC1=CC=C(C=C1)F)(O)O PI-25339 [0,2,0,0,0,0|1,0,1]=4 195 B12R1.21 C1=CC(=CC=C1C=CC(=O)O)F PI-31203 [0,2,0,0,0,0|0,0,0]=2 196 B12R1.21 C1=CC(=CC=C1C=CC(=O)O)O PI-11519 [0,2,0,0,0,0|0,0,0]=2 197 B12R1.21 C1=CC(=CC=C1CCC(=O)O)Br PI-22539 [0,2,0,0,0,0|0,0,2]=4 198 B12R1.21 C1=CC(=CC=C1CCC(=O)O)F PI-16999 [0,2,0,0,0,0|0,0,2]=4 199 B12R1.21 C1=CC(=CC=C1N)SCC(=O)O PI-17023 [0,2,0,0,0,0|1,0,1]=4 200 B12R1.21 C1=CC(=CC=C1NCC(=O)O)O PI-17923 [0,2,0,0,0,0|1,0,1]=4 201 B12R1.21 C1=CC(=CC=C1OCC(=O)Cl)Cl PI-48840 [0,2,0,0,0,0|1,0,1]=4 202 B12R1.21 C1=CC(=CC=C1OCC(=O)O)Br PI-11970 [0,2,0,0,0,0|1,0,1]=4 203 B12R1.21 C1=CC(=CC=C1OCC(=O)O)Cl PI-32616 [0,2,0,0,0,0|1,0,1]=4 204 B12R1.21 C1=CC(=CC=C1OCC(=O)O)F PI-10469 [0,2,0,0,0,0|1,0,1]=4 205 B12R1.21 C1=CC(=CC=C1OCC(=O)O)I PI-12100 [0,2,0,0,0,0|1,0,1]=4 206 B12R1.21 C1=CC(=CC=C1OCC(=O)[O-])Cl PI-48839 [0,2,0,0,0,0|1,0,1]=4 207 B12R1.21 C1=CC(=CC=C1\C=C\[N+](=O)[O-])Cl PI-46528 [0,2,0,0,0,0|1,0,0]=3 208 B12R1.21 CC(=O)C=CC1=CC=C(C=C1)O PI-29472 [0,2,0,0,0,0|0,0,0]=2 209 B12R1.21 CC(=O)CSC1=CC=C(C=C1)Cl PI-30390 [0,2,0,0,0,0|1,0,1]=4 210 B12R1.21 CC(=O)NNC1=CC=C(C=C1)Br PI-50329 [0,2,0,0,0,0|2,0,0]=4 211 B12R1.21 CC(CCC1=CC=C(O)C=C1)=O PI-37298 [0,2,0,0,0,0|0,0,2]=4 212 B12R1.21 CC1=CC=C(C=C1)C=CC(=O)O PI-11523 [0,2,0,0,0,0|0,0,0]=2 213 B12R1.21 Cc1ccc(\C=C\[N+](=O)[O-])cc1 PI-24460 [0,2,0,0,0,0|1,0,0]=3 214 B12R1.21 ClC(=O)COc1ccc(F)cc1 PI-23819 [0,2,0,0,0,0|1,0,1]=4 215 B12R1.21 Fc1ccc(\C=C\[N+](=O)[O-])cc1 PI-23806 [0,2,0,0,0,0|1,0,0]=3 216 B12R1.21 OC(=O)CCc1ccc(O)cc1 PI-11883 [0,2,0,0,0,0|0,0,2]=4 217 B12R1.21 OC(=O)CCc1ccc(cc1)C PI-12005 [0,2,0,0,0,0|0,0,2]=4 218 B12R1.21 OC(=O)CCc1ccc(cc1)Cl PI-11982 [0,2,0,0,0,0|0,0,2]=4 219 B12R1.21 OC(=O)CNc1ccc(cc1)F PI-38811 [0,2,0,0,0,0|1,0,1]=4 220 B12R1.21 OC(=O)COc1ccc(C)cc1 PI-30986 [0,2,0,0,0,0|1,0,1]=4 221 B12R1.21 OC(=O)\C=C\c1ccc(N)cc1 PI-28305 [0,2,0,0,0,0|0,0,0]=2 222 B12R1.21 OC(=O)\C=C\c1ccc(cc1)Cl PI-11979 [0,2,0,0,0,0|0,0,0]=2 223 B12R1.21 OC(=O)\C=C\c1ccc(cc1)O PI-20417 [0,2,0,0,0,0|0,0,0]=2 224 B12R1.49 FC1=CC=C(CC(=O)C=C)C=C1 PI-36344 [0,2,0,0,0,0|1,0,1]=4 225 B12R1.71 O=CCCc1ccc(OC)cc1 PI-13196 [0,2,0,0,0,0|0,0,2]=4 226 B12R1.30 C=CCOC(=O)C1=CC=CC=C1 PI-50399 [0,2,0,0,0,0|1,0,1]=4 227 B12R1.34 COC(=O)C(=O)C1=CC=CC=C1 PI-11500 [0,2,0,0,0,0|2,0,0]=4 228 B12R1.34 O\N=C(\C(=O)c1ccccc1)/C PI-38229 [0,2,0,0,0,0|1,0,1]=4 229 B12R1.107 C1=CC=C(C=C1)C(=O)C[N+](=O)[O-] PI-21378 [0,2,0,0,0,0|1,0,1]=4 230 B12R1.107 C1=CC=C(C=C1)C(CC(=O)O)N PI-18757 [0,2,0,0,0,0|0,0,2]=4 231 B12R1.107 C1=CC=C(C=C1)C(CC(=O)O)N PI-32818 [0,2,0,0,0,0|0,0,2]=4 232 B12R1.107 CC(C1=CC=CC=C1)NC(=O)C PI-26590 [0,2,0,0,0,0|1,0,1]=4 233 B12R1.107 CC(N[C@H](C1=CC=CC=C1)C)=O PI-26251 [0,2,0,0,0,0|1,0,1]=4 234 B12R1.107 CC(c1ccccc1)CC(=O)O PI-25588 [0,2,0,0,0,0|0,0,2]=4 235 B12R1.107 NC(=S)NC(=O)c1ccccc1 PI-28687 [0,2,0,0,0,0|1,1,0]=4 236 B12R1.107 N[C@H](c1ccccc1)CC(=O)O PI-18530 [0,2,0,0,0,0|0,0,2]=4 237 B12R1.107 OC(=O)C[C@@H](N)c1ccccc1 PI-18173 [0,2,0,0,0,0|0,0,2]=4 238 B12R1.107 OC(=O)C[C@@H](N)c1ccccc1 PI-18923 [0,2,0,0,0,0|0,0,2]=4 239 B12R1.107 OC(=O)C[C@@H](N)c1ccccc1 PI-18924 [0,2,0,0,0,0|0,0,2]=4 240 B12R1.125 C1=CC=C(C(=C1)C=CC(=O)Cl)Cl PI-20015 [0,2,0,0,0,0|0,0,0]=2 241 B12R1.125 C1=CC=C(C(=C1)C=CC(=O)O)Cl PI-23702 [0,2,0,0,0,0|0,0,0]=2 242 B12R1.125 C1=CC=C(C(=C1)C=CC(=O)O)F PI-31196 [0,2,0,0,0,0|0,0,0]=2 243 B12R1.125 C1=CC=C(C(=C1)C=C[N+](=O)[O-])Cl PI-30466 [0,2,0,0,0,0|1,0,0]=3 244 B12R1.125 C1=CC=C(C(=C1)CCC(=O)O)Cl PI-16404 [0,2,0,0,0,0|0,0,2]=4 245 B12R1.125 C1=CC=C(C(=C1)CCC(=O)O)F PI-16997 [0,2,0,0,0,0|0,0,2]=4 246 B12R1.125 C1=CC=C(C(=C1)CCC(=O)O)O PI-20847 [0,2,0,0,0,0|0,0,2]=4 247 B12R1.125 C1=CC=C(C(=C1)OCC(=O)O)Cl PI-32617 [0,2,0,0,0,0|1,0,1]=4 248 B12R1.125 CC1=CC=CC=C1CCC(=O)O PI-24240 [0,2,0,0,0,0|0,0,2]=4 249 B12R1.125 CC1=CC=CC=C1OCC(=O)O PI-30248 [0,2,0,0,0,0|1,0,1]=4 250 B12R1.125 O=C(O)\C=C\C1=CC=CC=C1O PI-11520 [0,2,0,0,0,0|0,0,0]=2 251 B12R1.125 OC(=O)CCc1ccccc1Br PI-22537 [0,2,0,0,0,0|0,0,2]=4 252 B12R1.125 OC(=O)\C=C\c1ccccc1C PI-11522 [0,2,0,0,0,0|0,0,0]=2 253 B12R1.1631 C1=CC(=C(C(=C1)F)C=CC=O)F PI-10639 [0,2,0,0,0,0|0,0,0]=2 254 B12R1.226 C1=CC(=CC(=C1)Cl)C=CC(=O)O PI-11920 [0,2,0,0,0,0|0,0,0]=2 255 B12R1.226 C1=CC(=CC(=C1)Cl)OCC(=O)O PI-50533 [0,2,0,0,0,0|1,0,1]=4 256 B12R1.226 C1=CC(=CC(=C1)F)C=CC(=O)O PI-31202 [0,2,0,0,0,0|0,0,0]=2 257 B12R1.226 C1=CC(=CC(=C1)O)C=CC(=O)O PI-11521 [0,2,0,0,0,0|0,0,0]=2 258 B12R1.226 C1=CC(=CC(=C1)O)CCC(=O)O PI-20848 [0,2,0,0,0,0|0,0,2]=4 259 B12R1.226 CC1=CC(=CC=C1)C=CC(=O)O PI-30448 [0,2,0,0,0,0|0,0,0]=2 260 B12R1.226 CC1=CC(=CC=C1)CCC(=O)O PI-24369 [0,2,0,0,0,0|0,0,2]=4 261 B12R1.226 CC1=CC(=CC=C1)OCC(=O)O PI-50532 [0,2,0,0,0,0|1,0,1]=4 262 B12R1.226 OC(=O)CCc1cccc(c1)Br PI-22538 [0,2,0,0,0,0|0,0,2]=4 263 B12R1.226 OC(=O)CCc1cccc(c1)F PI-16998 [0,2,0,0,0,0|0,0,2]=4 264 B12R1.226 OC(=O)\C=C\c1cccc(c1)Br PI-20686 [0,2,0,0,0,0|0,0,0]=2 265 B12R1.8 O=CCCOCc1ccccc1 PI-39298 [0,2,0,0,0,0|0,0,2]=4 266 B12R1.27 C1=CC=C(C=C1)CCC(=O)NN PI-50331 [0,2,0,0,0,0|0,0,2]=4 267 B12R1.27 C1=CC=C(C=C1)CNC(=O)CCl PI-49782 [0,2,0,0,0,0|1,0,1]=4 268 B12R1.27 C1=CC=C(C=C1)COC(=O)CBr PI-32119 [0,2,0,0,0,0|1,0,1]=4 269 B12R1.27 C1=CC=C(C=C1)COC(=O)CO PI-48132 [0,2,0,0,0,0|1,0,1]=4 270 B12R1.27 C1=CC=C(C=C1)COC(=O)NN PI-13115 [0,2,0,0,0,0|1,0,1]=4 271 B12R1.27 C1=CC=C(C=C1)OCC(=O)NN PI-50252 [0,2,0,0,0,0|1,0,1]=4 272 B12R1.27 C=CC(=O)OCc1ccccc1 PI-40377 [0,2,0,0,0,0|1,0,1]=4 273 B12R1.27 CCC(=O)CCC1=CC=CC=C1 PI-33801 [0,2,0,0,0,0|0,0,2]=4 274 B12R1.27 COC(=O)CSC1=CC=CC=C1 PI-24151 [0,2,0,0,0,0|1,0,1]=4 275 B12R1.27 NCC(=O)OCc1ccccc1 PI-12180 [0,2,0,0,0,0|1,0,1]=4 276 B12R1.27 NCC(=O)OCc1ccccc1 PI-12746 [0,2,0,0,0,0|1,0,1]=4 277 B12R1.27 ONC(=O)OCc1ccccc1 PI-38635 [0,2,0,0,0,0|1,0,1]=4 278 B12R1.252 C1=CC=C(C=C1)CNCC(=O)O PI-28809 [0,2,0,0,0,0|0,0,2]=4 279 B12R1.252 C1=CC=C(C=C1)OCCC(=O)O PI-32597 [0,2,0,0,0,0|0,0,2]=4 280 B12R1.252 CC(=O)CSCC1=CC=CC=C1 PI-12794 [0,2,0,0,0,0|0,0,2]=4 281 B12R1.252 CC(=O)NCCC1=CC=CC=C1 PI-26960 [0,2,0,0,0,0|0,0,2]=4 282 B12R1.252 ClC(=O)COCc1ccccc1 PI-35826 [0,2,0,0,0,0|0,0,2]=4 283 B12R1.252 OC(=O)CCCc1ccccc1 PI-29265 [0,2,0,0,0,0|0,0,2]=4 284 B12R1.252 OC(=O)CNCc1ccccc1 PI-27252 [0,2,0,0,0,0|0,0,2]=4 285 B12R1.252 OC(=O)COCc1ccccc1 PI-33690 [0,2,0,0,0,0|0,0,2]=4 286 B12R1.252 [O-]C(=O)CCCc1ccccc1 PI-38535 [0,2,0,0,0,0|0,0,2]=4 287 B12R1.43 C1=CC=C(C=C1)C=C(C(=O)O)F PI-25464 [0,2,0,0,0,0|0,0,0]=2 288 B12R1.43 C1=CC=C(C=C1)CC(C(=O)N)N PI-41047 [0,2,0,0,0,0|0,0,2]=4 289 B12R1.43 C1=CC=C(C=C1)CC(C(=O)N)N PI-42203 [0,2,0,0,0,0|0,0,2]=4 290 B12R1.43 C1=CC=C(C=C1)CC(C(=O)O)O PI-10517 [0,2,0,0,0,0|0,0,2]=4 291 B12R1.43 C1=CC=C(C=C1)CC(C(=O)O)O PI-46947 [0,2,0,0,0,0|0,0,2]=4 292 B12R1.43 C=C(C(=O)O)Cc1ccccc1 PI-12179 [0,2,0,0,0,0|0,0,1]=3 293 B12R1.43 CC(=CC1=CC=CC=C1)C(=O)Cl PI-24345 [0,2,0,0,0,0|0,0,0]=2 294 B12R1.43 CC(=CC1=CC=CC=C1)C(=O)O PI-25085 [0,2,0,0,0,0|0,0,0]=2 295 B12R1.43 CC(C(OC1=CC=CC=C1)=O)=C PI-40378 [0,2,0,0,0,0|2,0,0]=4 296 B12R1.43 CC(Oc1ccccc1)C(=O)O PI-32598 [0,2,0,0,0,0|1,0,1]=4 297 B12R1.43 N[C@@H](C(=O)O)Cc1ccccc1 PI-31261 [0,2,0,0,0,0|0,0,2]=4 298 B12R1.43 O=C(C(=O)O)Cc1ccccc1 PI-12929 [0,2,0,0,0,0|0,0,1]=3 299 B12R1.43 O[C@@H](C(=O)O)Cc1ccccc1 PI-28788 [0,2,0,0,0,0|0,0,2]=4 300 B10R1.30 C1=CC(=C(C=C1Br)C=O)Br PI-27892 [0,0,1,1,0,0|2,0,0]=4 301 B10R1.30 C1=CC(=C(C=C1Br)C=O)Cl PI-33366 [0,0,1,1,0,0|2,0,0]=4 302 B10R1.30 C1=CC(=C(C=C1Br)C=O)F PI-31330 [0,0,1,1,0,0|2,0,0]=4 303 B10R1.30 C1=CC(=C(C=C1Br)C=O)O PI-29253 [0,0,1,1,0,0|2,0,0]=4 304 B10R1.30 C1=CC(=C(C=C1Cl)C=O)Cl PI-16092 [0,0,1,1,0,0|2,0,0]=4 305 B10R1.30 C1=CC(=C(C=C1Cl)C=O)F PI-10455 [0,0,1,1,0,0|2,0,0]=4 306 B10R1.30 C1=CC(=C(C=C1Cl)C=O)O PI-12029 [0,0,1,1,0,0|2,0,0]=4 307 B10R1.30 C1=CC(=C(C=C1F)C=O)Br PI-28896 [0,0,1,1,0,0|2,0,0]=4 308 B10R1.30 C1=CC(=C(C=C1F)C=O)Cl PI-10456 [0,0,1,1,0,0|2,0,0]=4 309 B10R1.30 C1=CC(=C(C=C1F)C=O)N PI-44253 [0,0,1,1,0,0|2,0,0]=4 310 B10R1.30 C1=CC(=C(C=C1F)C=O)O PI-10579 [0,0,1,1,0,0|2,0,0]=4 311 B10R1.30 C1=CC(=C(C=C1I)C=O)F PI-31572 [0,0,1,1,0,0|2,0,0]=4 312 B10R1.30 C1=CC(=C(C=C1I)C=O)O PI-27272 [0,0,1,1,0,0|2,0,0]=4 313 B10R1.30 CC1=C(C=C(C=C1)F)C=O PI-10582 [0,0,1,1,0,0|1,0,1]=4 314 B10R1.30 CC1=CC(=C(C=C1)C)C=O PI-27729 [0,0,1,1,0,0|0,0,2]=4 315 B10R1.30 CC1=CC(=C(C=C1)F)C=O PI-10457 [0,0,1,1,0,0|1,0,1]=4 316 B10R1.30 O=CC1=CC(Br)=CC=C1N PI-46730 [0,0,1,1,0,0|2,0,0]=4 317 B10R1.30 O=Cc1cc(Br)ccc1I PI-26850 [0,0,1,1,0,0|2,0,0]=4 318 B10R1.30 O=Cc1cc(C)ccc1O PI-10857 [0,0,1,1,0,0|1,0,1]=4 319 B10R1.30 O=Cc1cc(Cl)ccc1Br PI-33350 [0,0,1,1,0,0|2,0,0]=4 320 B10R1.30 O=Cc1cc(Cl)ccc1N PI-18302 [0,0,1,1,0,0|2,0,0]=4 321 B10R1.30 O=Cc1cc(F)ccc1F PI-10418 [0,0,1,1,0,0|2,0,0]=4 322 B10R1.30 O=Cc1cc(O)ccc1Br PI-27441 [0,0,1,1,0,0|2,0,0]=4 323 B10R1.30 O=Cc1cc(O)ccc1O PI-18118 [0,0,1,1,0,0|2,0,0]=4 324 B10R1.172 BrCc1cccc(C=O)c1 PI-26927 [0,0,1,1,0,0|1,0,1]=4 325 B10R1.172 C1=CC(=CC(=C1)C#N)C=O PI-24269 [0,0,1,1,0,0|1,0,1]=4 326 B10R1.172 C=Cc1cccc(c1)C=O PI-27316 [0,0,1,1,0,0|0,0,0]=2 327 B10R1.172 COc1cccc(c1)C=O PI-32570 [0,0,1,1,0,0|1,0,1]=4 328 B10R1.172 O=Cc1cccc(c1)C=O PI-16456 [0,0,1,1,0,0|1,0,0]=3 329 B10R1.172 O=Cc1cccc(c1)C=O PI-18771 [0,0,1,1,0,0|1,0,0]=3 330 B10R2.7 C1=CC2=NC=CN2C=C1 PI-45016 [1,0,0,1,0,0|2,0,0]=4 331 B10R2.7 C1=CC=C2C(=C1)C=CN2 PI-44715 [1,0,0,1,0,0|1,0,0]=3 332 B10R2.7 C1=CC=C2C(=C1)N=CO2 PI-47002 [1,0,0,1,0,0|1,0,1]=4 333 B10R2.7 C1=CC=C2C(=C1)SC=[S+]2 PI-14799 [1,0,0,1,0,0|1,1,0]=4 334 B10R2.7 C1=C[NH]C2=C1C=CN=C2 PI-10410 [1,0,0,1,0,0|2,0,0]=4 335 B10R2.7 C1=C[NH]C2=C1C=NC=C2 PI-10409 [1,0,0,1,0,0|2,0,0]=4 336 B10R2.7 c1ccc2c(c1)[nH]cn2 PI-31348 [1,0,0,1,0,0|2,0,0]=4 337 B10R2.7 c1ccc2c(c1)[nH]nc2 PI-31379 [1,0,0,1,0,0|2,0,0]=4 338 B10R2.7 c1ccc2ccsc2c1 PI-14247 [1,0,0,1,0,0|0,1,0]=3 339 B10R2.7 c1ccc2cncn2c1 PI-36857 [1,0,0,1,0,0|2,0,0]=4 340 B10R2.7 c1cnc2[nH]ccc2c1 PI-16515 [1,0,0,1,0,0|2,0,0]=4 341 B10R2.7 c1cnc2c(c1)[nH]cc2 PI-10408 [1,0,0,1,0,0|2,0,0]=4 342 B10R2.7 c1ncc2sccc2c1 PI-36075 [1,0,0,1,0,0|1,1,0]=4 343 B10R2.320 C1=CC=CC2=C1CC2=O PI-40938 [1,0,0,1,0,0|0,0,1]=3 344 B12R2.24 BrC1=CC=C2N=CC=CC2=C1 PI-41127 [0,1,0,1,0,0|1,0,0]=3 345 B12R2.24 Brc1ccc2c(c1)ccnc2 PI-17753 [0,1,0,1,0,0|2,0,0]=4 346 B12R2.24 Brc1ccc2c(c1)nccn2 PI-38987 [0,1,0,1,0,0|2,0,0]=4 347 B12R2.24 Brc1ccc2ccccc2c1 PI-11812 [0,1,0,1,0,0|1,0,0]=3 348 B12R2.24 C1=CC(=CC2=C1C=CN=C2)O PI-17780 [0,1,0,1,0,0|1,0,1]=4 349 B12R2.24 C1=CC(=NC2=C1C=NC=C2)N PI-48335 [0,1,0,1,0,0|2,0,0]=4 350 B12R2.24 C1=CC2=C(C=C(C=C2)N)N=C1 PI-45912 [0,1,0,1,0,0|1,0,0]=3 351 B12R2.24 C1=CC2=C(C=CC(=C2)Br)N=C1 PI-29666 [0,1,0,1,0,0|1,0,0]=3 352 B12R2.24 C1=CC2=C(C=CC(=C2)Cl)N=C1 PI-11112 [0,1,0,1,0,0|1,0,0]=3 353 B12R2.24 C1=CC2=C(C=CC(=N2)Cl)N=C1 PI-45472 [0,1,0,1,0,0|2,0,0]=4 354 B12R2.24 C1=CC2=C(C=CN=C2)C=C1N PI-48190 [0,1,0,1,0,0|2,0,0]=4 355 B12R2.24 C1=CC2=CC(=O)NC=C2C=C1 PI-29911 [0,1,0,1,0,0|1,0,0]=3 356 B12R2.24 C1=CC2=NC=C(C=C2N=C1)I PI-45476 [0,1,0,1,0,0|2,0,0]=4 357 B12R2.24 C1=CC2=NC=C(C=C2N=C1)N PI-45475 [0,1,0,1,0,0|2,0,0]=4 358 B12R2.24 C1=CC=C2C(=C1)C=C(C=N2)Br PI-16426 [0,1,0,1,0,0|1,0,0]=3 359 B12R2.24 C1=CC=C2C(=C1)C=C(C=N2)O PI-35162 [0,1,0,1,0,0|1,0,0]=3 360 B12R2.24 C1=CC=C2C(=C1)C=CC(=N2)Br PI-29304 [0,1,0,1,0,0|1,0,0]=3 361 B12R2.24 C1=CC=C2C(=C1)C=CC(=N2)N PI-11108 [0,1,0,1,0,0|1,0,0]=3 362 B12R2.24 C1=CC=C2C(=C1)C=CC(=S)N2 PI-29414 [0,1,0,1,0,0|0,1,0]=3 363 B12R2.24 C1=CC=C2C(=C1)N=CC(=N2)Cl PI-49348 [0,1,0,1,0,0|2,0,0]=4 364 B12R2.24 C1=CC=C2C(=C1)NC(=O)C=N2 PI-49857 [0,1,0,1,0,0|1,0,0]=3 365 B12R2.24 C1=CC=C2C=C(C=CC2=C1)Cl PI-24669 [0,1,0,1,0,0|1,0,0]=3 366 B12R2.24 C1=CC=C2C=[N+](C=CC2=C1)[O-] PI-17902 [0,1,0,1,0,0|1,0,1]=4 367 B12R2.24 C1C(=O)NC2=CC=CC=C2N1 PI-50558 [0,1,0,1,0,0|1,0,1]=4 368 B12R2.24 CC1=CC2=CC=CC=C2N=C1 PI-16429 [0,1,0,1,0,0|1,0,0]=3 369 B12R2.24 CC1=CC2=NC=CN=C2C=C1 PI-33134 [0,1,0,1,0,0|2,0,0]=4 370 B12R2.24 CC1=CC=C2N=CC=CC2=N1 PI-40595 [0,1,0,1,0,0|2,0,0]=4 371 B12R2.24 Cc1ccc2c(n1)cccc2 PI-11867 [0,1,0,1,0,0|1,0,0]=3 372 B12R2.24 Clc1ccc2ccccc2n1 PI-16418 [0,1,0,1,0,0|1,0,0]=3 373 B12R2.24 FC1=CC=C2C=CC=CC2=C1 PI-37208 [0,1,0,1,0,0|1,0,0]=3 374 B12R2.24 Ic1ccc2c(c1)cccc2 PI-18754 [0,1,0,1,0,0|1,0,0]=3 375 B12R2.24 NC1=NC=C2C=CC=CC2=N1 PI-46795 [0,1,0,1,0,0|2,0,0]=4 376 B12R2.24 Nc1ccc2c(c1)cccc2 PI-25969 [0,1,0,1,0,0|1,0,0]=3 377 B12R2.24 Nc1ccc2c(c1)cccn2 PI-29716 [0,1,0,1,0,0|1,0,0]=3 378 B12R2.24 Nc1ccc2c(c1)nccn2 PI-33792 [0,1,0,1,0,0|2,0,0]=4 379 B12R2.24 Nc1cnc2ccccc2c1 PI-29717 [0,1,0,1,0,0|1,0,0]=3 380 B12R2.24 Nc1ncc2ccccc2c1 PI-14103 [0,1,0,1,0,0|2,0,0]=4 381 B12R2.24 O=C1CCc2c(C1)cccc2 PI-18642 [0,1,0,1,0,0|0,0,2]=4 382 B12R2.24 O=C1CCc2c(N1)cccc2 PI-29698 [0,1,0,1,0,0|0,0,2]=4 383 B12R2.24 O=C1CSc2c(N1)cccc2 PI-14812 [0,1,0,1,0,0|1,0,1]=4 384 B12R2.24 O=C1OCc2ccccc2C1 PI-10151 [0,1,0,1,0,0|1,0,1]=4 385 B12R2.24 Oc1ccc2c(c1)cccn2 PI-11465 [0,1,0,1,0,0|1,0,0]=3 386 B12R2.24 Oc1ccc2c(c1)nccc2 PI-12046 [0,1,0,1,0,0|1,0,0]=3 387 B12R2.24 Oc1ccc2c(n1)cccc2 PI-17352 [0,1,0,1,0,0|0,0,1]=3 388 B12R2.24 Oc1ccc2cnccc2c1 PI-34184 [0,1,0,1,0,0|1,0,1]=4 389 B12R2.24 SC1=CC=C2C=CC=CC2=C1 PI-25970 [0,1,0,1,0,0|0,1,0]=3 390 B12R2.132 Brc1ccc2CCC(=O)c2c1 PI-32742 [0,1,0,1,0,0|0,0,2]=4 391 B12R2.132 Brc1ccc2OCC(=O)c2c1 PI-36911 [0,1,0,1,0,0|1,0,1]=4 392 B12R2.132 Brc1ccc2c(c1)C(=O)NC2 PI-39244 [0,1,0,1,0,0|1,0,1]=4 393 B12R2.132 C1C2=C(C=C(C=C2)N)C(=O)O1 PI-30728 [0,1,0,1,0,0|1,0,1]=4 394 B12R2.132 C1CC(=O)C2=C1C=CC(=C2)I PI-32743 [0,1,0,1,0,0|0,0,2]=4 395 B12R2.132 C1CC(=O)C2=C1C=CC(=C2)N PI-34587 [0,1,0,1,0,0|0,0,2]=4 396 B12R2.132 CC1=CNC2=C1C=C(C=C2)F PI-22695 [0,1,0,1,0,0|2,0,0]=4 397 B12R2.132 CC1=COC2=C1C=C(C=C2)O PI-44179 [0,1,0,1,0,0|2,0,0]=4 398 B12R2.132 CC1=CSC2=C1C=C(C=C2)Cl PI-30258 [0,1,0,1,0,0|2,0,0]=4 399 B12R2.132 CC1=CSC2=C1C=C(C=C2)F PI-23747 [0,1,0,1,0,0|2,0,0]=4 400 B12R2.132 Clc1ccc2c(c1)C(=O)CC2 PI-32741 [0,1,0,1,0,0|0,0,2]=4 401 B12R2.132 Fc1ccc2c(c1)C(=O)CC2 PI-16850 [0,1,0,1,0,0|0,0,2]=4 402 B12R2.132 O=C1CCC2=C1C=C(O)C=C2 PI-37330 [0,1,0,1,0,0|0,0,2]=4 403 B12R2.132 Oc1ccc2c(c1)c(C)c[nH]2 PI-36560 [0,1,0,1,0,0|2,0,0]=4 404 B12R2.2 C1(=CC=CC=C1)C2=NC=CS2 PI-40540 [0,1,0,1,0,0|0,1,0]=3 405 B12R2.2 C1(C2=CC=CC=C2)=NNC=C1 PI-37171 [0,1,0,1,0,0|1,0,0]=3 406 B12R2.2 C1(C2=CC=CS2)=CC=NC=C1 PI-37152 [0,1,0,1,0,0|1,1,0]=4 407 B12R2.2 C1=CC=C(C=C1)C2=CC=CS2 PI-11147 [0,1,0,1,0,0|0,1,0]=3 408 B12R2.2 C1=CC=C(C=C1)C2=CN=CN2 PI-46515 [0,1,0,1,0,0|1,0,0]=3 409 B12R2.2 C1=CC=C(C=C1)C2=CSC=C2 PI-29382 [0,1,0,1,0,0|0,1,0]=3 410 B12R2.2 C1=CC=C(C=C1)N2C=CC=N2 PI-13606 [0,1,0,1,0,0|1,0,0]=3 411 B12R2.2 C1=CC=NC(=C1)C2=CC=CS2 PI-29489 [0,1,0,1,0,0|1,1,0]=4 412 B12R2.2 C1=CC=NC(=C1)C2=NC=CN2 PI-45290 [0,1,0,1,0,0|2,0,0]=4 413 B12R2.2 C1=CN=CC=C1C2=NC=CN2 PI-45289 [0,1,0,1,0,0|2,0,0]=4 414 B12R2.2 C1CC=C(C1)C2=CC=CC=C2 PI-49447 [0,1,0,1,0,0|1,0,1]=4 415 B12R2.2 N1N=NC=C1C2=CC=CC=C2 PI-39989 [0,1,0,1,0,0|2,0,0]=4 416 B12R2.2 c1ccc(cc1)c2ncc[nH]2 PI-31813 [0,1,0,1,0,0|1,0,0]=3 417 B12R2.2 c1ccc(cn1)c2cccs2 PI-29340 [0,1,0,1,0,0|1,1,0]=4 418 B12R2.2 c1ccc(nc1)c2n[nH]cc2 PI-38818 [0,1,0,1,0,0|2,0,0]=4 419 B12R2.2 n1ccc(cc1)c2c[nH]cn2 PI-36102 [0,1,0,1,0,0|2,0,0]=4 420 B12R2.1081 Brc1cccc2ccccc12 PI-34202 [0,1,0,1,0,0|1,0,0]=3 421 B12R2.1081 Brc1ccnc2c1cccc2 PI-33930 [0,1,0,1,0,0|1,0,0]=3 422 B12R2.1081 C1=CC2=C(C(=C1)Br)N=CC=C2 PI-14517 [0,1,0,1,0,0|1,0,0]=3 423 B12R2.1081 C1=CC2=C(C(=C1)Cl)N=CC=C2 PI-29757 [0,1,0,1,0,0|1,0,0]=3 424 B12R2.1081 C1=CC2=C(C(=C1)O)N=CC=C2 PI-32036 [0,1,0,1,0,0|1,0,0]=3 425 B12R2.1081 C1=CC2=C(C(=C1)S)N=CC=C2 PI-12049 [0,1,0,1,0,0|1,0,0]=3 426 B12R2.1081 C1=CC2=C(C(=C1)[O-])N=CC=C2 PI-33667 [0,1,0,1,0,0|1,0,0]=3 427 B12R2.1081 C1=CC2=C(C(=C1)[O-])N=CC=C2 PI-37979 [0,1,0,1,0,0|1,0,0]=3 428 B12R2.1081 C1=CC2=C(C(=NC=C2)N)N=C1 PI-14582 [0,1,0,1,0,0|2,0,0]=4 429 B12R2.1081 C1=CC2=C(C=CC=N2)C(=C1)I PI-48538 [0,1,0,1,0,0|1,0,0]=3 430 B12R2.1081 C1=CC2=C(C=CN=C2)C(=C1)Cl PI-17702 [0,1,0,1,0,0|2,0,0]=4 431 B12R2.1081 C1=CC2=C(C=NC=C2)C(=C1)Br PI-14518 [0,1,0,1,0,0|2,0,0]=4 432 B12R2.1081 C1=CC2=NC=CN=C2C(=C1)Br PI-48535 [0,1,0,1,0,0|2,0,0]=4 433 B12R2.1081 C1=CC=C(C2=CC=CN=C12)Br PI-29629 [0,1,0,1,0,0|1,0,0]=3 434 B12R2.1081 C1=CC=C2C(=C1)C(=O)C=CN2 PI-16442 [0,1,0,1,0,0|0,0,0]=2 435 B12R2.1081 C1=CC=C2C(=C1)C(=O)C=CO2 PI-15386 [0,1,0,1,0,0|0,0,0]=2 436 B12R2.1081 C1=CC=C2C(=C1)C=CC=C2S PI-18636 [0,1,0,1,0,0|0,1,0]=3 437 B12R2.1081 C1=CC=C2C(=C1)C=CC=[N+]2[O-] PI-29172 [0,1,0,1,0,0|0,0,1]=3 438 B12R2.1081 C1=CC=C2C(=C1)C=CC=[N+]2[O-] PI-29819 [0,1,0,1,0,0|0,0,1]=3 439 B12R2.1081 C1=CC=C2C(=C1)C=CN=C2Br PI-16539 [0,1,0,1,0,0|1,0,0]=3 440 B12R2.1081 C1=CC=C2C(=C1)C=CN=C2Cl PI-29294 [0,1,0,1,0,0|1,0,0]=3 441 B12R2.1081 C1=CC=C2C(=C1)C=NC=C2Br PI-11110 [0,1,0,1,0,0|1,0,0]=3 442 B12R2.1081 C1=CC=C2C(=C1)C=NC=C2F PI-42940 [0,1,0,1,0,0|1,0,0]=3 443 B12R2.1081 C1=CC=CC2=C1C(=O)NC=C2 PI-11697 [0,1,0,1,0,0|0,0,0]=2 444 B12R2.1081 C1=CN=CC2=CC=CC(=C12)Br PI-17691 [0,1,0,1,0,0|2,0,0]=4 445 B12R2.1081 C1CC2=CC=CC=C2C(=O)C1 PI-32512 [0,1,0,1,0,0|0,0,2]=4 446 B12R2.1081 C1CNC(=O)C2=CC=CC=C21 PI-35016 [0,1,0,1,0,0|0,0,2]=4 447 B12R2.1081 C1CNC2=CC=CC=C2C1=O PI-44146 [0,1,0,1,0,0|0,0,2]=4 448 B12R2.1081 C1CSC2=CC=CC=C2C1=O PI-44168 [0,1,0,1,0,0|0,0,2]=4 449 B12R2.1081 CC1=C2C=CC=NC2=CC=C1 PI-48532 [0,1,0,1,0,0|1,0,0]=3 450 B12R2.1081 Cc1ccnc2ccccc12 PI-16520 [0,1,0,1,0,0|1,0,0]=3 451 B12R2.1081 Cc1nccc2ccccc12 PI-29203 [0,1,0,1,0,0|1,0,0]=3 452 B12R2.1081 ClC1=C2C=CC=NC2=CC=C1 PI-29809 [0,1,0,1,0,0|1,0,0]=3 453 B12R2.1081 Clc1cccc2ccccc12 PI-32014 [0,1,0,1,0,0|1,0,0]=3 454 B12R2.1081 Fc1cccc2ccccc12 PI-28374 [0,1,0,1,0,0|1,0,0]=3 455 B12R2.1081 IC1=CC=CC2=C1C=CC=C2 PI-10978 [0,1,0,1,0,0|1,0,0]=3 456 B12R2.1081 Ic1ccnc2ccccc12 PI-36504 [0,1,0,1,0,0|1,0,0]=3 457 B12R2.1081 NC1=C2C=CC=NC2=CC=C1 PI-28683 [0,1,0,1,0,0|1,0,0]=3 458 B12R2.1081 NC1=CC=CC2=C1C=CN=C2 PI-16512 [0,1,0,1,0,0|2,0,0]=4 459 B12R2.1081 Nc1cccc2c1nccc2 PI-31237 [0,1,0,1,0,0|1,0,0]=3 460 B12R2.1081 Nc1cncc2ccccc12 PI-29375 [0,1,0,1,0,0|1,0,0]=3 461 B12R2.1081 Nc1nccc2c1cccc2 PI-17133 [0,1,0,1,0,0|1,0,0]=3 462 B12R2.1081 O=C1CCOc2c1cccc2 PI-10312 [0,1,0,1,0,0|0,0,2]=4 463 B12R2.1081 O=C1NN=NC2=CC=CC=C12 PI-40803 [0,1,0,1,0,0|2,0,0]=4 464 B12R2.1081 Oc1cccc2ncccc12 PI-29714 [0,1,0,1,0,0|1,0,0]=3 465 B12R2.1081 [O-]c1cccc2c1nccc2 PI-33666 [0,1,0,1,0,0|1,0,0]=3 466 B12R2.1081 [O-]c1cccc2c1nccc2 PI-38357 [0,1,0,1,0,0|1,0,0]=3 467 B12R2.2028 C1=CC2=C(C(=O)OC2=O)N=C1 PI-16702 [0,1,0,1,0,0|2,0,0]=4 468 B12R2.2028 C1=CC=C2C(=C1)C(OC2=O)Br PI-22576 [0,1,0,1,0,0|1,0,1]=4 469 B12R2.2028 C1=CC=C2C(=C1)C(OC2=O)O PI-44675 [0,1,0,1,0,0|1,0,1]=4 470 B12R2.2028 C1C(=O)C2=CC=CC=C2C1=O PI-31372 [0,1,0,1,0,0|0,0,1]=3 471 B12R2.2028 N=C1NC(=N)c2ccccc12 PI-37309 [0,1,0,1,0,0|2,0,0]=4 472 B12R2.2028 O=C1NC(=O)c2c1cccc2 PI-33124 [0,1,0,1,0,0|1,0,0]=3 473 B12R2.32 C1=CC=C2C(=C1)C=C(N2)CO PI-45001 [0,1,0,1,0,0|0,0,2]=4 474 B12R2.32 C1=CC=C2C(=C1)C=C(O2)C=O PI-16469 [0,1,0,1,0,0|0,0,0]=2 475 B12R2.32 C1=CC=C2C(=C1)C=C(S2)C=O PI-29507 [0,1,0,1,0,0|0,0,0]=2 476 B12R2.32 C1=CC=C2C(=C1)C=C(S2)CO PI-20808 [0,1,0,1,0,0|0,0,2]=4 477 B12R2.32 C1=CC=C2C(=C1)N=C(S2)C=O PI-14166 [0,1,0,1,0,0|1,0,0]=3 478 B12R2.32 CCC1=CC2=CC=CC=C2C1 PI-29198 [0,1,0,1,0,0|1,0,1]=4 479 B12R2.32 CCC1=CC2=CC=CC=C2O1 PI-17342 [0,1,0,1,0,0|1,0,1]=4 480 B12R2.32 N#CC=1NC2=C(C1)C=CC=C2 PI-46707 [0,1,0,1,0,0|1,0,1]=4 481 B12R2.32 NCc1cc2c(s1)cccc2 PI-38175 [0,1,0,1,0,0|1,0,1]=4 482 B12R2.32 O=CC1=CN2C=CC=CC2=N1 PI-41423 [0,1,0,1,0,0|1,0,0]=3 483 B12R2.32 O=Cc1cc2ccccc2[nH]1 PI-31918 [0,1,0,1,0,0|0,0,0]=2 484 B12R2.32 O=Cc1nc2c([nH]1)cccc2 PI-14803 [0,1,0,1,0,0|1,0,0]=3 485 B12R2.196 BrC1=C2C(C(CS2)=O)=CC=C1 PI-38352 [0,1,0,1,0,0|1,0,1]=4 486 B12R2.196 C1C(=O)C2=C(O1)C(=CC=C2)I PI-32748 [0,1,0,1,0,0|1,0,1]=4 487 B12R2.196 C1CC(=O)C2=C1C(=CC=C2)Cl PI-32730 [0,1,0,1,0,0|0,0,2]=4 488 B12R2.196 C1CC(=O)C2=C1C(=CC=C2)F PI-32729 [0,1,0,1,0,0|0,0,2]=4 489 B12R2.196 C1CC(=O)C2=C1C(=CC=C2)I PI-32731 [0,1,0,1,0,0|0,0,2]=4 490 B12R2.196 C1CC(=O)C2=C1C(=CC=C2)O PI-40573 [0,1,0,1,0,0|0,0,2]=4 491 B12R2.196 CC1=C2CCC(=O)C2=CC=C1 PI-42676 [0,1,0,1,0,0|0,0,2]=4 492 B12R2.196 O=C1CCc2c1cccc2Br PI-21520 [0,1,0,1,0,0|0,0,2]=4 493 B12R2.196 O=C1COc2c1cccc2Br PI-32747 [0,1,0,1,0,0|1,0,1]=4 494 B12R2.203 C1=CC2=C(C(=C1)Cl)C(=O)NO2 PI-34869 [0,1,0,1,0,0|2,0,0]=4 495 B12R2.203 C1C(=O)C2=C(O1)C=CC=C2Cl PI-32752 [0,1,0,1,0,0|1,0,1]=4 496 B12R2.203 C1CC(=O)C2=C1C=CC=C2F PI-32734 [0,1,0,1,0,0|0,0,2]=4 497 B12R2.203 C1CC(=O)C2=C1C=CC=C2I PI-32736 [0,1,0,1,0,0|0,0,2]=4 498 B12R2.203 O=C1CCc2c1c(Br)ccc2 PI-32735 [0,1,0,1,0,0|0,0,2]=4 499 B12R2.203 O=C1CCc2c1c(Cl)ccc2 PI-31373 [0,1,0,1,0,0|0,0,2]=4 500 B12R2.612 Brc1ccc2c(c1)CNC2=O PI-39318 [0,1,0,1,0,0|1,0,1]=4 501 B12R2.612 C1=C(Br)C=CC2=C1CCC2=O PI-21521 [0,1,0,1,0,0|0,0,2]=4 502 B12R2.612 C1C(=O)C2=C(O1)C=C(C=C2)O PI-17763 [0,1,0,1,0,0|1,0,1]=4 503 B12R2.612 C1C2=C(C=CC(=C2)Br)C(=O)O1 PI-11635 [0,1,0,1,0,0|1,0,1]=4 504 B12R2.612 C1C2=C(C=CC(=C2)N)C(=O)N1 PI-36570 [0,1,0,1,0,0|1,0,1]=4 505 B12R2.612 C1C2=C(C=CC(=C2)N)C(=O)O1 PI-17686 [0,1,0,1,0,0|1,0,1]=4 506 B12R2.612 C1CC(=O)C2=C1C=C(C=C2)F PI-16849 [0,1,0,1,0,0|0,0,2]=4 507 B12R2.612 C1CC(=O)C2=C1C=C(C=C2)I PI-32739 [0,1,0,1,0,0|0,0,2]=4 508 B12R2.612 CN1C=CC2=C1C=CC(=C2)N PI-45196 [0,1,0,1,0,0|2,0,0]=4 509 B12R2.612 Clc1ccc2C(=O)CCc2c1 PI-31195 [0,1,0,1,0,0|0,0,2]=4 510 B12R2.612 Nc1ccc2C(=O)CCc2c1 PI-14100 [0,1,0,1,0,0|0,0,2]=4 511 B12R2.612 O=C1CCC2=C1C=CC(C)=C2 PI-40563 [0,1,0,1,0,0|0,0,2]=4 512 B12R2.612 O=C1NCC2=C1C=CC(O)=C2 PI-46708 [0,1,0,1,0,0|1,0,1]=4 513 B12R2.612 O=C1OCC2=C1C=CC(Cl)=C2 PI-40884 [0,1,0,1,0,0|1,0,1]=4 514 B12R2.612 Oc1ccc2C(=O)CCc2c1 PI-11505 [0,1,0,1,0,0|0,0,2]=4 515 B12R2.1 C1=CC=C2C(=C1)C(=CN2)C=O PI-16169 [0,1,0,1,0,0|0,0,0]=2 516 B12R2.1 C1=CC=C2C(=C1)C(=CS2)C=O PI-18657 [0,1,0,1,0,0|0,0,0]=2 517 B12R2.1 C1=CC=C2C(=C1)C(=CS2)CN PI-35078 [0,1,0,1,0,0|1,0,1]=4 518 B12R2.1 C1=CC=C2C(=C1)N=NN2C=O PI-47021 [0,1,0,1,0,0|2,0,0]=4 519 B12R2.1 C1=CC=CC2=C1[NH]C=C2C#N PI-10233 [0,1,0,1,0,0|1,0,1]=4 520 B12R2.1 O=CC1=CNC2=C1C=NC=C2 PI-36985 [0,1,0,1,0,0|1,0,0]=3 521 B12R2.1 O=Cc1coc2c1cccc2 PI-39293 [0,1,0,1,0,0|0,0,0]=2 522 B12R2.1 OCc1c[nH]c2c1cccc2 PI-16182 [0,1,0,1,0,0|0,0,2]=4 523 B12R2.18 Brc1c(Br)sc2c1cccc2 PI-40411 [0,1,0,1,0,0|2,0,0]=4 524 B12R2.18 C1C(C(=O)C2=CC=CC=C21)Br PI-30227 [0,1,0,1,0,0|0,0,2]=4 525 B12R2.18 Cc1[nH]c2ccccc2c1C PI-11086 [0,1,0,1,0,0|2,0,0]=4 526 B12R2.18 Cn1c(C)cc2c1cccc2 PI-11083 [0,1,0,1,0,0|2,0,0]=4 527 B12R2.18 O=C1C(=O)Nc2ccccc12 PI-31744 [0,1,0,1,0,0|1,0,0]=3 528 B12R2.2403 C1=CC=C2C(=C1)C=CS2(=O)=O PI-30948 [0,1,0,1,0,0|1,0,0]=3 529 B12R2.3190 C1C(C2=CC=CC=C21)C(=O)O PI-40937 [0,1,0,1,0,0|0,0,2]=4