0 B15R2.2226 C1=CC=C(C=C1)C(=O)C2=CC=NC=C2 PI-31492 [0,0,0,0,0,0|1,0,0]=1 1 B15R2.2226 C1=CC=C(C=C1)C(=O)C2=CN=CC=C2 PI-31491 [0,0,0,0,0,0|1,0,0]=1 2 B15R2.2226 C1=CC=C(C=C1)C(C2=CC=CC=C2)N PI-10973 [0,0,0,0,0,0|1,0,1]=2 3 B15R2.2226 C1=CC=C(C=C1)P(C2=CC=CC=C2)Cl PI-33136 [0,0,0,0,0,0|2,0,0]=2 4 B15R2.2226 C1=CC=NC(=C1)C(=O)C2=CC=CC=N2 PI-25297 [0,0,0,0,0,0|2,0,0]=2 5 B15R2.2226 CN(C1=CC=CC=C1)C2=CC=CC=C2 PI-11337 [0,0,0,0,0,0|2,0,0]=2 6 B15R2.2226 N=C(c1ccccc1)c2ccccc2 PI-16519 [0,0,0,0,0,0|1,0,0]=1 7 B15R2.2226 NC(C1=CC=CC=C1)C2=NC=CC=C2 PI-46748 [0,0,0,0,0,0|2,0,1]=3 8 B15R2.2226 NC(c1ccccc1)c2ccccc2 PI-10972 [0,0,0,0,0,0|1,0,1]=2 9 B15R2.2226 NN(c1ccccc1)c2ccccc2 PI-15233 [0,0,0,0,0,0|2,0,0]=2 10 B15R2.2226 O=C(c1ccccc1)c2ccccc2 PI-34310 [0,0,0,0,0,0|0,0,0]=0 11 B14R2.6 C1([I+]C2=CC=CC=C2)=CC=CC=C1 PI-37355 [1,0,0,0,0,0|1,0,0]=2 12 B14R2.6 C1=CC=C(C=C1)NC2=CC=CC=C2 PI-46971 [1,0,0,0,0,0|1,0,0]=2 13 B14R2.6 C1=CC=C(C=C1)NC2=CC=NC=C2 PI-47018 [1,0,0,0,0,0|2,0,0]=3 14 B14R2.6 C1=CC=C(C=C1)[I+]C2=CC=CC=C2 PI-29354 [1,0,0,0,0,0|1,0,0]=2 15 B14R2.6 C1=CC=C(C=C1)[I+]C2=CC=CC=C2 PI-29718 [1,0,0,0,0,0|1,0,0]=2 16 B14R2.6 C1=CC=NC(=C1)NC2=CC=CC=N2 PI-25088 [1,0,0,0,0,0|3,0,0]=4 17 B14R2.6 C1=CN=CC=C1SC2=CC=NC=C2 PI-25513 [1,0,0,0,0,0|3,0,0]=4 18 B16R2.120 Brc1ccc(cc1)C(=O)c2ccccc2 PI-11965 [0,1,0,0,0,0|0,0,0]=1 19 B16R2.120 Brc1ccc(cc1)C(c2ccccc2)O PI-20533 [0,1,0,0,0,0|0,0,2]=3 20 B16R2.120 C1=CC(=CC=C1C(=O)C2=CC=NC=C2)Cl PI-30148 [0,1,0,0,0,0|1,0,0]=2 21 B16R2.120 C1=CC(=CN=C1)C(=O)C2=CC=C(C=C2)Br PI-33592 [0,1,0,0,0,0|1,0,0]=2 22 B16R2.120 C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)I PI-25737 [0,1,0,0,0,0|0,0,0]=1 23 B16R2.120 C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)N PI-13074 [0,1,0,0,0,0|0,0,0]=1 24 B16R2.120 C1=CC=C(C=C1)C(C2=CC=C(C=C2)Cl)O PI-11619 [0,1,0,0,0,0|0,0,2]=3 25 B16R2.120 C1=CC=C(C=C1)C(C2=CC=C(C=C2)F)O PI-23458 [0,1,0,0,0,0|0,0,2]=3 26 B16R2.120 C1=CC=C(C=C1)[C@H](C2=CC=C(C=C2)Cl)N PI-48164 [0,1,0,0,0,0|1,0,1]=3 27 B16R2.120 C=C(C1=CC=CC=C1)C2=CC=C(C=C2)Cl PI-42926 [0,1,0,0,0,0|1,0,0]=2 28 B16R2.120 CC1=CC=C(C=C1)C(C2=CC=CC=C2)O PI-29154 [0,1,0,0,0,0|0,0,2]=3 29 B16R2.120 Fc1ccc(cc1)C(Cl)c2ccccc2 PI-23459 [0,1,0,0,0,0|1,0,1]=3 30 B16R2.120 Oc1ccc(cc1)C(=O)c2ccccc2 PI-15455 [0,1,0,0,0,0|0,0,0]=1 31 B16R2.187 C1=CC=C(C=C1)C(=NO)C2=CC=CC=C2 PI-30729 [0,1,0,0,0,0|0,0,1]=2 32 B16R2.187 C1=CC=C(C=C1)C(=NO)C2=CC=CC=N2 PI-10883 [0,1,0,0,0,0|1,0,1]=3 33 B16R2.187 C1=CC=C(C=C1)N(C=O)C2=CC=CC=C2 PI-46972 [0,1,0,0,0,0|1,0,0]=2 34 B16R2.187 CN=C(C1=CC=CC=C1)C2=CC=CC=C2 PI-14780 [0,1,0,0,0,0|1,0,0]=2 35 B16R2.187 COP(C1=CC=CC=C1)C2=CC=CC=C2 PI-30578 [0,1,0,0,0,0|1,0,1]=3 36 B16R2.187 N#CC(c1ccccc1)c2ccccc2 PI-31733 [0,1,0,0,0,0|1,0,1]=3 37 B16R2.187 N#CC(c1ccccn1)c2ccccc2 PI-16479 [0,1,0,0,0,0|2,0,1]=4 38 B16R2.187 NN=C(c1ccccc1)c2ccccc2 PI-32449 [0,1,0,0,0,0|1,0,0]=2 39 B16R2.236 Clc1cccc(c1)C(=O)c2ccccc2 PI-11918 [0,1,0,0,0,0|0,0,0]=1 40 B16R2.236 Clc1cccc(c1)C(O)c2ccccc2 PI-23139 [0,1,0,0,0,0|0,0,2]=3 41 B16R2.236 Fc1cccc(c1)C(=O)c2ccccc2 PI-23461 [0,1,0,0,0,0|0,0,0]=1 42 B16R2.236 Fc1cccc(c1)C(O)c2ccccc2 PI-23457 [0,1,0,0,0,0|0,0,2]=3 43 B16R2.236 O=C(C1=CC=CC(Br)=C1)C2=CC=CC=C2 PI-20536 [0,1,0,0,0,0|0,0,0]=1 44 B16R2.2945 C1=CC=C(C=C1)P(=O)(C2=CC=CC=C2)O PI-29199 [0,1,0,0,0,0|1,0,0]=2 45 B16R2.2945 CC(C)(C1=CC=CC=C1)C2=CC=CC=C2 PI-22699 [0,1,0,0,0,0|1,0,1]=3 46 B16R2.2945 CP(C1=CC=CC=C1)(C2=CC=CC=C2)=O PI-30308 [0,1,0,0,0,0|1,0,0]=2 47 B16R2.2945 ClP(=O)(c1ccccc1)c2ccccc2 PI-34020 [0,1,0,0,0,0|1,0,0]=2 48 B16R2.2945 O=P(C1=CC=CC=C1)(C2=CC=CC=C2)N PI-29735 [0,1,0,0,0,0|1,0,0]=2 49 B16R2.3896 C1=CC=C(C(=C1)C(=O)C2=CC=CC=N2)N PI-12130 [0,1,0,0,0,0|1,0,0]=2 50 B16R2.3896 C1=CC=C(C=C1)C(=O)C2=CC=CC=C2Br PI-20535 [0,1,0,0,0,0|0,0,0]=1 51 B16R2.3896 C1=CC=C(C=C1)C(=O)C2=CC=CC=C2F PI-12121 [0,1,0,0,0,0|0,0,0]=1 52 B16R2.3896 C1=CC=C(C=C1)C(=O)C2=CC=CC=C2I PI-25387 [0,1,0,0,0,0|0,0,0]=1 53 B16R2.3896 C1=CC=C(C=C1)C(=O)C2=CC=CC=C2N PI-15764 [0,1,0,0,0,0|0,0,0]=1 54 B16R2.3896 Cc1ccccc1C(=O)c2ccccc2 PI-12120 [0,1,0,0,0,0|0,0,0]=1 55 B16R2.3896 Cc1ccccc1C(c2ccccc2)O PI-38233 [0,1,0,0,0,0|0,0,2]=3 56 B16R2.3896 Clc1ccccc1C(=O)c2ccccc2 PI-12546 [0,1,0,0,0,0|0,0,0]=1 57 B16R2.3896 Nc1ccccc1C(O)c2ccccc2 PI-17281 [0,1,0,0,0,0|0,0,2]=3 58 B16R2.3896 Oc1ccccc1C(=O)c2ccccc2 PI-11852 [0,1,0,0,0,0|0,0,0]=1 59 B16R3.20606 C1=CC=C2C(=C1)C(C3=CC=CC=C32)Br PI-16466 [0,0,0,1,0,0|1,0,1]=3 60 B16R3.20606 C1=CC=C2C(=C1)C(C3=CC=CC=C32)N PI-33558 [0,0,0,1,0,0|1,0,1]=3 61 B16R3.20606 C1=CC=C2C(=C1)C(C3=CC=CC=C32)O PI-32028 [0,0,0,1,0,0|0,0,2]=3 62 B16R3.20606 CN1C2=CC=CC=C2C3=CC=CC=C31 PI-27195 [0,0,0,1,0,0|2,0,0]=3 63 B16R3.20606 C[Si]1C2=CC=CC=C2C3=CC=CC=C31 PI-50108 [0,0,0,1,0,0|1,1,0]=3 64 B16R3.20606 O=C1c2ccccc2c3c1cccc3 PI-32027 [0,0,0,1,0,0|0,0,0]=1 65 B16R3.20606 O=S1C2=CC=CC=C2C3=CC=CC=C31 PI-40031 [0,0,0,1,0,0|1,0,0]=2 66 B14R2.114 C1=CC=C(C=C1)C(=O)C2=CC=CS2 PI-10989 [0,0,0,0,1,0|1,0,0]=2 67 B14R2.114 O=C(c1ccccc1)n2cncc2 PI-14849 [0,0,0,0,1,0|2,0,0]=3 68 B16R2.88 C1=CC=C(C=C1)C(=NC2=CC=CC=C2)N PI-30167 [0,0,0,0,0,1|1,0,0]=2 69 B16R2.88 C1=CC=C(C=C1)C(=O)C[N+]2=CC=CC=C2 PI-29191 [0,0,0,0,0,1|1,0,0]=2 70 B16R2.88 C1=CC=C(C=C1)C(=O)OC2=CC=CC=C2 PI-50362 [0,0,0,0,0,1|0,0,0]=1 71 B16R2.88 C1=CC=C(C=C1)C(=S)NC2=CC=CC=C2 PI-30818 [0,0,0,0,0,1|0,1,0]=2 72 B16R2.88 C1=CC=C(C=C1)CC(C2=CC=CC=C2)N PI-30389 [0,0,0,0,0,1|1,0,1]=3 73 B16R2.88 C1=CC=C(C=C1)CN(C2=CC=CC=C2)N PI-29707 [0,0,0,0,0,1|2,0,0]=3 74 B16R2.88 C1=CC=C(C=C1)CN(C2=CC=CC=C2)N PI-29767 [0,0,0,0,0,1|2,0,0]=3 75 B16R2.88 C1=CC=C(C=C1)OC(=O)C2=CC=CC=N2 PI-40514 [0,0,0,0,0,1|1,0,0]=2 76 B16R2.88 C1=CC=C(C=C1)SC(=O)C2=NC=CN=C2 PI-29095 [0,0,0,0,0,1|2,0,0]=3 77 B16R2.88 CN(CC1=CC=CC=C1)C2=CC=CC=C2 PI-31672 [0,0,0,0,0,1|2,0,0]=3 78 B15R2.29 C1=CC=C(C=C1)CC2=CC=C(C=C2)Br PI-21405 [1,1,0,0,0,0|0,0,1]=3 79 B15R2.29 C1=CC=C(C=C1)CC2=CC=C(C=C2)Cl PI-15773 [1,1,0,0,0,0|0,0,1]=3 80 B15R2.29 C1=CC=C(C=C1)CC2=CC=C(C=C2)F PI-23577 [1,1,0,0,0,0|0,0,1]=3 81 B15R2.29 C1=CC=C(C=C1)CC2=CC=C(C=C2)N PI-28064 [1,1,0,0,0,0|0,0,1]=3 82 B15R2.29 C1=CC=C(C=C1)NC2=CC=C(C=C2)Br PI-37932 [1,1,0,0,0,0|1,0,0]=3 83 B15R2.29 C1=CC=C(C=C1)OC2=CC=C(C=C2)Br PI-50167 [1,1,0,0,0,0|1,0,0]=3 84 B15R2.29 C1=CC=C(C=C1)OC2=CC=C(C=C2)Cl PI-15684 [1,1,0,0,0,0|1,0,0]=3 85 B15R2.29 C1=CC=C(C=C1)OC2=CC=C(C=C2)F PI-23575 [1,1,0,0,0,0|1,0,0]=3 86 B15R2.29 C1=CC=C(C=C1)OC2=CC=C(C=C2)S PI-17619 [1,1,0,0,0,0|1,0,0]=3 87 B15R2.29 Cc1ccc(cc1)Nc2ccccc2 PI-24523 [1,1,0,0,0,0|1,0,0]=3 88 B15R2.29 Nc1ccc(cc1)Oc2ccccc2 PI-38038 [1,1,0,0,0,0|1,0,0]=3 89 B15R2.29 Oc1ccc(cc1)Oc2ccccc2 PI-12099 [1,1,0,0,0,0|1,0,0]=3 90 B15R2.31 C1=CC=C(C=C1)CC2=CC(=CC=C2)N PI-28688 [1,1,0,0,0,0|0,0,1]=3 91 B15R2.31 C1=CC=C(C=C1)NC2=CC(=CC=C2)O PI-17468 [1,1,0,0,0,0|1,0,0]=3 92 B15R2.31 C1=CC=C(C=C1)OC2=CC(=NC=C2)Cl PI-47314 [1,1,0,0,0,0|2,0,0]=4 93 B15R2.31 CC1=CC(=CC=C1)NC2=CC=CC=C2 PI-24059 [1,1,0,0,0,0|1,0,0]=3 94 B15R2.31 Cc1cccc(c1)Oc2ccccc2 PI-39145 [1,1,0,0,0,0|1,0,0]=3 95 B15R2.31 Oc1cccc(c1)Oc2ccccc2 PI-30873 [1,1,0,0,0,0|1,0,0]=3 96 B15R2.38 BrC1=CC=CC=C1OC2=CC=CC=C2 PI-46555 [1,1,0,0,0,0|1,0,0]=3 97 B15R2.38 C1=CC=C(C=C1)CC2=CC=CC=C2Br PI-21404 [1,1,0,0,0,0|0,0,1]=3 98 B15R2.38 C1=CC=C(C=C1)CC2=CC=CC=C2F PI-23576 [1,1,0,0,0,0|0,0,1]=3 99 B15R2.38 C1=CC=C(C=C1)CC2=CC=CC=C2O PI-11801 [1,1,0,0,0,0|0,0,1]=3 100 B15R2.38 C1=CC=C(C=C1)NC2=CC=CC=C2Br PI-39983 [1,1,0,0,0,0|1,0,0]=3 101 B15R2.38 C1=CC=C(C=C1)OC2=CC=CC=C2N PI-15302 [1,1,0,0,0,0|1,0,0]=3 102 B15R2.38 ClC1=C(OC2=CC=CC=C2)C=CC=C1 PI-15683 [1,1,0,0,0,0|1,0,0]=3 103 B15R2.38 Fc1ccccc1Oc2ccccc2 PI-23574 [1,1,0,0,0,0|1,0,0]=3 104 B15R2.38 Nc1ccccc1Nc2ccccc2 PI-10962 [1,1,0,0,0,0|1,0,0]=3 105 B15R2.38 Nc1ccccc1Sc2ccccc2 PI-11002 [1,1,0,0,0,0|1,0,0]=3 106 B15R2.91 C1=CSC(=C1)C(=O)C2=CC=C(C=C2)F PI-26764 [0,1,0,0,1,0|1,0,0]=3 107 B15R2.91 Clc1ccc(cc1)C(=O)c2nccs2 PI-23164 [0,1,0,0,1,0|2,0,0]=4 108 B15R2.297 C1=CC=C(C=C1)C(=O)N2C=C(C=N2)I PI-33802 [0,1,0,0,1,0|2,0,0]=4 109 B15R2.353 C1=CC=C(C=C1)S(=O)(=O)C2=CC=CS2 PI-30334 [0,1,0,0,1,0|2,0,0]=4 110 B15R2.353 C1=CC=C(C=C1)S(=O)(=O)C2=CSC=C2 PI-26191 [0,1,0,0,1,0|2,0,0]=4 111 B15R2.353 C1=CC=C(C=C1)S(=O)(=O)N2C=CC=C2 PI-17067 [0,1,0,0,1,0|2,0,0]=4 112 B15R2.1108 Clc1cccc(c1)C(=O)c2nccs2 PI-23163 [0,1,0,0,1,0|2,0,0]=4 113 B17R2.192 Brc1ccc(cc1)C(=O)Cc2ccccc2 PI-29303 [0,1,0,0,0,1|0,0,0]=2 114 B17R2.192 C1=CC=C(C=C1)CC(=O)C2=CC=C(C=C2)Cl PI-29286 [0,1,0,0,0,1|0,0,0]=2 115 B17R2.192 C1=CC=C(C=C1)CC(=O)C2=CC=C(C=C2)F PI-29500 [0,1,0,0,0,1|0,0,0]=2 116 B17R2.192 C1=CC=C(C=C1)CC(=O)C2=CC=C(C=C2)O PI-29395 [0,1,0,0,0,1|0,0,0]=2 117 B17R2.192 C1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)Cl PI-11975 [0,1,0,0,0,1|0,0,0]=2 118 B17R2.209 C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)N PI-10968 [0,1,0,0,0,1|0,0,0]=2 119 B17R2.209 Cc1ccc(cc1)CC(=O)c2ccccc2 PI-29384 [0,1,0,0,0,1|0,0,0]=2 120 B17R2.3417 C1=CC=C(C=C1)NC(=O)C2=CC=CC=C2N PI-17280 [0,1,0,0,0,1|0,0,0]=2 121 B17R2.5293 C1=CC=C(C=C1)C(=O)NC2=CC(=CC=C2)O PI-20731 [0,1,0,0,0,1|0,0,0]=2 122 B17R2.5293 C1=CC=C(C=C1)C(=O)NC2=CC=CC(=C2)N PI-11475 [0,1,0,0,0,1|0,0,0]=2 123 B17R2.5293 O=c1[nH]ccc(n1)NC(=O)c2ccccc2 PI-11562 [0,1,0,0,0,1|2,0,0]=4 124 B17R2.10205 BrC(C(=O)c1ccccc1)c2ccccc2 PI-26147 [0,1,0,0,0,1|0,0,0]=2 125 B17R2.10205 C1=CC=C(C=C1)C(=O)N(C2=CC=CC=C2)O PI-16543 [0,1,0,0,0,1|0,0,0]=2 126 B17R2.10205 C1=CC=C(C=C1)C(C(=O)C2=CC=CC=C2)Cl PI-29600 [0,1,0,0,0,1|0,0,0]=2 127 B17R2.10205 C1=CC=C(C=C1)C(C(=O)C2=CC=CC=C2)O PI-29726 [0,1,0,0,0,1|0,0,0]=2 128 B17R2.10205 C1=CC=C(C=C1)C(C(=O)C2=CC=CC=C2)O PI-29727 [0,1,0,0,0,1|0,0,0]=2 129 B17R2.10205 C1=CC=C(C=C1)C(C(C2=CC=CC=C2)N)N PI-31144 [0,1,0,0,0,1|1,0,1]=4 130 B17R2.10205 C1=CC=C(C=C1)C(C(C2=CC=CC=C2)O)N PI-31118 [0,1,0,0,0,1|0,0,2]=4 131 B17R2.10205 C1=CC=NC(=C1)C(=O)C(=O)C2=CC=CC=N2 PI-10986 [0,1,0,0,0,1|2,0,0]=4 132 B17R2.10205 N[C@H](C1=CC=CC=C1)[C@@H](C2=CC=CC=C2)N PI-15697 [0,1,0,0,0,1|1,0,1]=4 133 B17R2.10205 N[C@H](C1=CC=CC=C1)[C@@H](O)C2=CC=CC=C2 PI-31119 [0,1,0,0,0,1|0,0,2]=4 134 B17R2.20249 C1=CC=C(C=C1)CS(=O)(=O)C2=CC=CC=C2 PI-11013 [0,1,0,0,0,1|1,0,0]=3 135 B17R2.20249 C[N+](C)(CC1=CC=CC=C1)C2=CC=CC=C2 PI-46915 [0,1,0,0,0,1|2,0,0]=4 136 B17R2.68 C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)C#N PI-30161 [0,2,0,0,0,0|0,0,0]=2 137 B17R2.68 C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)CBr PI-25445 [0,2,0,0,0,0|0,0,0]=2 138 B17R2.68 COC1=CC=C(C=C1)C(=O)C2=CC=CC=C2 PI-12864 [0,2,0,0,0,0|0,0,0]=2 139 B17R2.191 Brc1ccc(cc1)C(=O)c2cccc(C)c2 PI-22134 [0,2,0,0,0,0|0,0,0]=2 140 B17R2.191 C1=CC(=CC(=C1)Cl)C(=O)C2=CC=C(C=C2)Br PI-20615 [0,2,0,0,0,0|0,0,0]=2 141 B17R2.191 C1=CC(=CC(=C1)F)C(=O)C2=CC=C(C=C2)F PI-21144 [0,2,0,0,0,0|0,0,0]=2 142 B17R2.191 CC1=CC=C(C=C1)C(=O)C2=CC=CC(=C2)C PI-25109 [0,2,0,0,0,0|0,0,0]=2 143 B17R2.191 Cc1ccc(cc1)C(O)c2cccc(C)c2 PI-23418 [0,2,0,0,0,0|0,0,2]=4 144 B17R2.191 Cc1ccc(cc1)C(O)c2cccc(F)c2 PI-23744 [0,2,0,0,0,0|0,0,2]=4 145 B17R2.203 CC(C1=CC=CC=C1)(C2=CC=C(C=C2)Cl)O PI-42927 [0,2,0,0,0,0|0,0,2]=4 146 B17R2.203 NC1=CC=C(S(=O)(C2=CC=CC=C2)=O)C=C1 PI-36452 [0,2,0,0,0,0|1,0,0]=3 147 B17R2.217 Brc1ccc(cc1)C(=O)c2ccc(Br)cc2 PI-12357 [0,2,0,0,0,0|0,0,0]=2 148 B17R2.217 C1=CC(=CC=C1C(C2=CC=C(C=C2)F)Cl)F PI-28330 [0,2,0,0,0,0|1,0,1]=4 149 B17R2.217 C1=CC(=CC=C1S(=O)C2=CC=C(C=C2)I)I PI-50150 [0,2,0,0,0,0|1,0,0]=3 150 B17R2.217 CC1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)C PI-29759 [0,2,0,0,0,0|0,0,0]=2 151 B17R2.217 CC1=CC=C(C=C1)C(C2=CC=C(C=C2)C)O PI-23420 [0,2,0,0,0,0|0,0,2]=4 152 B17R2.217 CC1=CC=C(C=C1)P(C2=CC=C(C=C2)C)Cl PI-44876 [0,2,0,0,0,0|2,0,0]=4 153 B17R2.217 Cc1ccc(cc1)C(=O)c2ccc(Br)cc2 PI-22135 [0,2,0,0,0,0|0,0,0]=2 154 B17R2.217 Cc1ccc(cc1)C(O)c2ccc(F)cc2 PI-23745 [0,2,0,0,0,0|0,0,2]=4 155 B17R2.217 Cc1ccc(cc1)P(=O)c2ccc(cc2)C PI-38555 [0,2,0,0,0,0|1,0,0]=3 156 B17R2.217 Clc1ccc(cc1)C(=O)c2ccc(Br)cc2 PI-20616 [0,2,0,0,0,0|0,0,0]=2 157 B17R2.217 Clc1ccc(cc1)C(=O)c2ccc(Cl)cc2 PI-38677 [0,2,0,0,0,0|0,0,0]=2 158 B17R2.217 Fc1ccc(cc1)C(=O)c2ccc(Br)cc2 PI-21439 [0,2,0,0,0,0|0,0,0]=2 159 B17R2.217 Fc1ccc(cc1)C(=O)c2ccc(F)cc2 PI-10915 [0,2,0,0,0,0|0,0,0]=2 160 B17R2.217 Nc1ccc(cc1)C(=O)c2ccc(N)cc2 PI-12971 [0,2,0,0,0,0|0,0,0]=2 161 B17R2.217 OC(C1=CC=C(Cl)C=C1)C2=CC=C(Cl)C=C2 PI-32961 [0,2,0,0,0,0|0,0,2]=4 162 B17R2.217 OC(c1ccc(cc1)F)c2ccc(cc2)F PI-11949 [0,2,0,0,0,0|0,0,2]=4 163 B17R2.217 Oc1ccc(cc1)C(=O)c2ccc(O)cc2 PI-10914 [0,2,0,0,0,0|0,0,0]=2 164 B17R2.217 Oc1ccc(cc1)C(=O)c2ccc(cc2)Cl PI-16030 [0,2,0,0,0,0|0,0,0]=2 165 B17R2.219 C1=CC=C(C=C1)C(=O)C2=CC(=C(C=C2)Cl)Cl PI-12276 [0,2,0,0,0,0|0,0,0]=2 166 B17R2.219 C1=CC=C(C=C1)C(=O)C2=CC(=C(C=C2)F)F PI-21143 [0,2,0,0,0,0|0,0,0]=2 167 B17R2.219 C1=CC=C(C=C1)C(=O)C2=CC(=C(C=C2)N)N PI-15806 [0,2,0,0,0,0|0,0,0]=2 168 B17R2.219 C1=CC=C(C=C1)C(=O)C2=CC(=C(C=C2)N)N PI-25683 [0,2,0,0,0,0|0,0,0]=2 169 B17R2.219 C1=CC=C(C=C1)C(=O)C2=CC(=C(C=C2)O)O PI-28028 [0,2,0,0,0,0|0,0,0]=2 170 B17R2.219 O=C(c1ccc(c(c1)C)C)c2ccccc2 PI-10959 [0,2,0,0,0,0|0,0,0]=2 171 B17R2.381 Brc1ccc(cc1)C(=O)c2ccccc2N PI-16139 [0,2,0,0,0,0|0,0,0]=2 172 B17R2.381 C1=CC=C(C(=C1)C(=O)C2=CC=C(C=C2)Cl)N PI-12831 [0,2,0,0,0,0|0,0,0]=2 173 B17R2.381 C1=CC=C(C(=C1)C(=O)C2=CC=C(C=C2)F)Cl PI-12122 [0,2,0,0,0,0|0,0,0]=2 174 B17R2.381 C1=CC=C(C(=C1)C(=O)C2=CC=C(C=C2)F)F PI-12123 [0,2,0,0,0,0|0,0,0]=2 175 B17R2.381 C1=CC=C(C(=C1)C(=O)C2=CC=C(C=C2)O)F PI-25028 [0,2,0,0,0,0|0,0,0]=2 176 B17R2.381 C1=CC=C(C(=C1)C(=O)C2=CC=C(C=C2)O)O PI-25727 [0,2,0,0,0,0|0,0,0]=2 177 B17R2.381 CC1=CC=C(C=C1)C(=O)C2=CC=CC=C2N PI-30531 [0,2,0,0,0,0|0,0,0]=2 178 B17R2.381 Fc1ccc(cc1)C(=O)c2ccccc2N PI-16140 [0,2,0,0,0,0|0,0,0]=2 179 B17R2.5362 C1=CC=C(C=C1)C(=O)C2=C(C=C(C=C2)Cl)Cl PI-25303 [0,2,0,0,0,0|0,0,0]=2 180 B17R2.5362 C1=CC=C(C=C1)C(=O)C2=C(C=C(C=C2)F)F PI-25895 [0,2,0,0,0,0|0,0,0]=2 181 B17R2.5362 C1=CC=C(C=C1)C(=O)C2=C(C=C(C=C2)O)O PI-33784 [0,2,0,0,0,0|0,0,0]=2 182 B17R2.5362 CC1=CC(=C(C=C1)C(=O)C2=CC=CC=C2)C PI-25057 [0,2,0,0,0,0|0,0,0]=2 183 B17R2.5362 CC1=CC(=C(C=C1)C(=O)C2=CC=CC=C2)O PI-25428 [0,2,0,0,0,0|0,0,0]=2 184 B17R2.159 C1=CC=C(C=C1)C(=CC#N)C2=CC=CC=C2 PI-35457 [0,2,0,0,0,0|1,0,0]=3 185 B17R2.159 C1=CC=C(C=C1)C(C2=CC=CC=C2)N=C=S PI-14781 [0,2,0,0,0,0|0,1,1]=4 186 B17R2.159 C1=CC=C(C=C1)C(CC#N)C2=CC=CC=C2 PI-12939 [0,2,0,0,0,0|1,0,1]=4 187 B17R2.159 C1=CC=C(C=C1)C(CCBr)C2=CC=CC=C2 PI-31101 [0,2,0,0,0,0|1,0,1]=4 188 B17R2.159 C1=CC=C(C=C1)C(CCO)C2=CC=CC=C2 PI-12936 [0,2,0,0,0,0|0,0,2]=4 189 B17R2.159 C1=CC=C(C=C1)P(CCN)C2=CC=CC=C2 PI-35041 [0,2,0,0,0,0|2,0,0]=4 190 B17R2.159 CCCP(C1=CC=CC=C1)C2=CC=CC=C2 PI-19896 [0,2,0,0,0,0|2,0,0]=4 191 B17R2.159 CCOP(C1=CC=CC=C1)C2=CC=CC=C2 PI-44874 [0,2,0,0,0,0|1,0,1]=4 192 B17R2.159 ClCC=C(c1ccccc1)c2ccccc2 PI-36552 [0,2,0,0,0,0|1,0,0]=3 193 B17R2.159 NCCC(c1ccccc1)c2ccccc2 PI-24495 [0,2,0,0,0,0|1,0,1]=4 194 B17R2.2274 C1=CC=C(C=C1)C(=NO)C2=CC=CC=C2N PI-25630 [0,2,0,0,0,0|0,0,1]=3 195 B17R2.2712 C1=CC=C(C=C1)P(=O)(C2=CC=CC=C2)ON PI-40743 [0,2,0,0,0,0|1,0,0]=3 196 B17R2.2712 CC(CN)(C1=CC=CC=C1)C2=CC=CC=C2 PI-19555 [0,2,0,0,0,0|1,0,1]=4 197 B17R2.2712 N#CC(c1ccccc1)(c2ccccc2)C PI-12713 [0,2,0,0,0,0|1,0,1]=4 198 B17R2.5711 CC(=O)C(C1=CC=CC=C1)C2=CC=CC=C2 PI-10957 [0,2,0,0,0,0|0,0,1]=3 199 B17R2.5711 CC(=O)N(C1=CC=CC=C1)C2=CC=CC=C2 PI-32987 [0,2,0,0,0,0|1,0,0]=3 200 B17R2.5711 CC(C)P(C1=CC=CC=C1)C2=CC=CC=C2 PI-19798 [0,2,0,0,0,0|2,0,0]=4 201 B17R2.5711 NC(=O)C(c1ccccn1)c2ccccc2 PI-31773 [0,2,0,0,0,0|1,0,1]=4 202 B17R2.1797 BrCc1cccc(c1)C(=O)c2ccccc2 PI-39474 [0,2,0,0,0,0|0,0,0]=2 203 B17R2.3218 Cc1cc(C)cc(c1)C(O)c2ccccc2 PI-23419 [0,2,0,0,0,0|0,0,2]=4 204 B17R2.5272 C1=CC(=CC(=C1)F)C(=O)C2=CC(=CC=C2)F PI-21142 [0,2,0,0,0,0|0,0,0]=2 205 B17R2.5272 C1=CC(=CC(=C1)N)C(=O)C2=CC(=CC=C2)N PI-12970 [0,2,0,0,0,0|0,0,0]=2 206 B17R2.5272 Cc1cccc(c1)C(O)c2cccc(C)c2 PI-23417 [0,2,0,0,0,0|0,0,2]=4 207 B17R2.5272 Cc1cccc(c1)C(O)c2cccc(F)c2 PI-23743 [0,2,0,0,0,0|0,0,2]=4 208 B17R2.5356 Brc1ccc(c(c1)C(=O)c2ccccn2)N PI-37839 [0,2,0,0,0,0|1,0,0]=3 209 B17R2.5356 C1=CC=C(C=C1)C(=O)C2=C(C=CC(=C2)Br)O PI-25665 [0,2,0,0,0,0|0,0,0]=2 210 B17R2.5356 C1=CC=C(C=C1)C(=O)C2=C(C=CC(=C2)Cl)N PI-34378 [0,2,0,0,0,0|0,0,0]=2 211 B17R2.5356 C1=CC=C(C=C1)C(=O)C2=C(C=CC(=C2)F)F PI-21140 [0,2,0,0,0,0|0,0,0]=2 212 B17R2.5356 Clc1ccc(c(c1)C(=O)c2ccccc2)O PI-12177 [0,2,0,0,0,0|0,0,0]=2 213 B17R2.5356 O=C(C1=CC(Br)=CC=C1N)C2=CC=CC=C2 PI-37234 [0,2,0,0,0,0|0,0,0]=2 214 B17R2.41752 C1=CC=C(C(=C1)C(=O)C2=CC(=CC=C2)F)F PI-25703 [0,2,0,0,0,0|0,0,0]=2 215 B17R2.3434 C1=CC=C(C=C1)S(=O)(=O)C2=CC=CC=C2N PI-17264 [0,2,0,0,0,0|1,0,0]=3 216 B17R2.5268 C1=CC=C(C=C1)C(=O)C2=C(C=CC=C2F)F PI-21141 [0,2,0,0,0,0|0,0,0]=2 217 B15R2.17 O=Cc1cccc(c1)c2ccccc2 PI-27111 [0,0,1,1,0,0|2,0,0]=4 218 B15R2.21 O=Cc1ccccc1c2ccccc2 PI-27110 [0,0,1,1,0,0|2,0,0]=4 219 B15R3.3 C1=CC=C2C(=C1)C3=C(N2)C=CC=N3 PI-41240 [1,0,0,1,0,0|2,0,0]=4 220 B15R3.3 C1C2=CC=CC=C2C3=CC=CC=C31 PI-34163 [1,0,0,1,0,0|0,0,1]=3 221 B15R3.3 C=12NC3=C(C1C=NC=C2)C=CC=C3 PI-39960 [1,0,0,1,0,0|2,0,0]=4 222 B15R3.3 c1ccc2c(c1)[nH]c3c2cccn3 PI-37910 [1,0,0,1,0,0|2,0,0]=4 223 B15R3.3 c1ccc2c(c1)[nH]c3c2ccnc3 PI-27390 [1,0,0,1,0,0|2,0,0]=4 224 B15R3.3 c1ccc2c(c1)oc3c2cccc3 PI-19103 [1,0,0,1,0,0|1,0,0]=3 225 B15R3.3 c1ccc2c(c1)sc3ccccc23 PI-10879 [1,0,0,1,0,0|1,0,0]=3 226 B17R3.1927 O1[C@@H]([C@H]1c2ccccc2)c3ccccc3 PI-22012 [0,0,0,1,0,1|0,0,2]=4 227 B17R3.8708 C1=CC=C(C=C1)C2=CC3=CC=CC=C3N2 PI-33323 [0,0,0,1,0,1|1,0,0]=3 228 B17R3.8708 C1=CC=C2C(=C1)C=C(S2)C3=CC=CC=N3 PI-47016 [0,0,0,1,0,1|1,1,0]=4 229 B17R3.8708 C1=CC=C2C(=C1)NC(=N2)C3=CC=CC=N3 PI-45244 [0,0,0,1,0,1|2,0,0]=4 230 B17R3.8708 C1=CC=C2C(=C1)NC(=N2)C3=CC=NC=C3 PI-45250 [0,0,0,1,0,1|2,0,0]=4 231 B17R3.8708 C1=CC=C2C(=C1)NC(=N2)C3=CN=CC=C3 PI-44958 [0,0,0,1,0,1|2,0,0]=4 232 B17R3.8708 C1=CC=C2C(=C1)[C-]=C(S2)C3=CC=CC=N3 PI-41367 [0,0,0,1,0,1|1,1,0]=4 233 B17R3.8708 C1=CC=C2C(=C1)[C-]=C(S2)C3=CC=CC=N3 PI-41370 [0,0,0,1,0,1|1,1,0]=4 234 B17R3.8708 c1ccc(cc1)c2nc3c([nH]2)cccc3 PI-10919 [0,0,0,1,0,1|1,0,0]=3 235 B17R3.8708 c1ccc(nc1)c2cc3c([nH]2)cccc3 PI-27139 [0,0,0,1,0,1|2,0,0]=4 236 B17R3.54615 Brc1cc2ccccc2c3c1cccc3 PI-18700 [0,0,0,1,0,1|1,0,0]=3 237 B17R3.54615 C1=CC=C2C(=C1)C=C(C3=CC=CC=C23)I PI-18253 [0,0,0,1,0,1|1,0,0]=3 238 B17R3.54615 Clc1cc2ccccc2c3ccccc13 PI-18988 [0,0,0,1,0,1|1,0,0]=3 239 B17R3.54615 Nc1cc2ccccc2c3c1cccc3 PI-18989 [0,0,0,1,0,1|1,0,0]=3 240 B17R3.54615 O=c1[nH]c2ccccc2c3ccccc13 PI-36484 [0,0,0,1,0,1|0,0,0]=2 241 B17R3.54615 Oc1cc2ccccc2c3ccccc13 PI-18576 [0,0,0,1,0,1|0,0,1]=3 242 B17R3.31713 O=C1C2=C(C3=C1C=CC=C3)C=C(Br)C=C2 PI-39630 [0,1,0,1,0,0|0,0,0]=2 243 B17R3.31713 O=C1C2=C(C3=C1C=CC=C3)C=C(N)C=C2 PI-36447 [0,1,0,1,0,0|0,0,0]=2 244 B17R3.8 C1=CC=C(C=C1)N2C=NC3=CC=CC=C32 PI-44109 [0,1,0,1,0,0|2,0,0]=4 245 B17R3.8714 c1ccc(cc1)C2(OC2)c3ccccc3 PI-22011 [0,1,0,1,0,0|0,0,2]=4 246 B17R3.182920 C1=CC=C2C(=C1)C(C3=CC=CC=C32)CO PI-16467 [0,1,0,1,0,0|0,0,2]=4 247 B17R3.182920 C1=CC=C2C(=C1)C3=CC=CC=C3N2CO PI-27386 [0,1,0,1,0,0|1,0,1]=4 248 B17R3.182920 C=CN1C2=CC=CC=C2C3=CC=CC=C31 PI-27196 [0,1,0,1,0,0|2,0,0]=4 249 B17R3.182920 CCN1C2=CC=CC=C2C3=CC=CC=C31 PI-45022 [0,1,0,1,0,0|2,0,0]=4 250 B17R3.31819 C1=CC=C2C(=C1)C3=C(C2=O)C=C(C=C3)N PI-30459 [0,1,0,1,0,0|0,0,0]=2 251 B17R3.31819 C1=CC=C2C3=C(C=C(C=C3)N)C(C2=C1)O PI-17278 [0,1,0,1,0,0|0,0,2]=4 252 B17R3.31819 O=C1C2=C(C3=C1C=CC=C3)C=CC(Br)=C2 PI-33561 [0,1,0,1,0,0|0,0,0]=2 253 B17R3.221899 C1=CC=C2C(=C1)C3=CC=CC=C3S2(=O)=O PI-26557 [0,1,0,1,0,0|1,0,0]=3 254 B17R3.221899 CC1(C2=CC=CC=C2C3=CC=CC=C31)C PI-35123 [0,1,0,1,0,0|1,0,1]=4 255 B17R3.221899 ClC1(Cl)c2ccccc2c3c1cccc3 PI-33557 [0,1,0,1,0,0|1,0,1]=4 256 B17R3.35227 Brc1c2ccccc2cc3c1cccc3 PI-16465 [0,1,0,1,0,0|1,0,0]=3 257 B17R3.35227 C1=CC=C2C(=C1)C(=O)C3=CC=CC=C3N2 PI-33807 [0,1,0,1,0,0|0,0,0]=2 258 B17R3.35227 C1C2=CC=CC=C2C(=O)C3=CC=CC=C31 PI-24663 [0,1,0,1,0,0|0,0,0]=2 259 B17R3.35227 CC1=C2C=CC=CC2=NC3=CC=CC=C13 PI-37324 [0,1,0,1,0,0|1,0,0]=3 260 B17R3.35227 C[N+]1=C2C=CC=CC2=NC3=C1C=CC=C3 PI-42586 [0,1,0,1,0,0|2,0,0]=4 261 B17R3.35227 Clc1c2ccccc2nc3c1cccc3 PI-38362 [0,1,0,1,0,0|1,0,0]=3 262 B17R3.35227 NC1=C2C=CC=CC2=NC3=CC=CC=C31 PI-17791 [0,1,0,1,0,0|1,0,0]=3 263 B17R3.35227 O=c1c2ccccc2sc3c1cccc3 PI-18581 [0,1,0,1,0,0|0,0,0]=2 264 B13R2.3 C1=CC=NC(=C1)C2=CC=NC=C2 PI-13306 [1,0,0,0,1,0|2,0,0]=4 265 B13R2.3 C1=CC=[N+](C=C1)C2=CC=NC=C2 PI-16740 [1,0,0,0,1,0|2,0,0]=4 266 B13R2.3 c1ccc(cc1)c2ccccn2 PI-10232 [1,0,0,0,1,0|1,0,0]=3 267 B13R2.3 c1ccc(cc1)c2ccncc2 PI-10383 [1,0,0,0,1,0|1,0,0]=3 268 B13R2.3 c1ccc(cn1)c2ccccc2 PI-31486 [1,0,0,0,1,0|1,0,0]=3 269 B13R2.3 c1ccc(nc1)-c2ccccn2 PI-32362 [1,0,0,0,1,0|2,0,0]=4 270 B13R2.3 n1ccc(cc1)c2ccncc2 PI-32363 [1,0,0,0,1,0|2,0,0]=4 271 B13R2.64 C1=CC=C(C=C1)OC2=CSC=C2 PI-29804 [1,0,0,0,1,0|2,0,0]=4 272 B13R2.674 C1=CNC(=C1)C(=O)C2=CC=CN2 PI-48140 [0,0,0,0,2,0|2,0,0]=4 273 B13R2.674 C1=CSC(=C1)C(=O)C2=CC=CS2 PI-30865 [0,0,0,0,2,0|2,0,0]=4 274 B15R2.2195 C1(SSC2=CC=CC=C2)=CC=CC=C1 PI-39448 [1,0,0,0,0,1|1,0,0]=3 275 B15R2.2195 C1=CC=C(C=C1)C#CC2=CC=CC=C2 PI-29633 [1,0,0,0,0,1|0,0,1]=3 276 B15R2.2195 C1=CC=C(C=C1)C=CC2=CC=NC=C2 PI-31489 [1,0,0,0,0,1|1,0,0]=3 277 B15R2.2195 C1=CC=C(C=C1)CCC2=CC=CC=C2 PI-29039 [1,0,0,0,0,1|0,0,1]=3 278 B15R2.2195 C1=CC=C(C=C1)CNC2=CC=CC=N2 PI-31488 [1,0,0,0,0,1|1,0,1]=4 279 B15R2.2195 C1=CC=C(C=C1)COC2=CC=CC=C2 PI-20328 [1,0,0,0,0,1|0,0,1]=3 280 B15R2.2195 C1=CC=C(C=C1)COC2=CC=NC=C2 PI-43980 [1,0,0,0,0,1|1,0,1]=4 281 B15R2.2195 C1=CC=C(C=C1)CSC2=CC=CC=C2 PI-11012 [1,0,0,0,0,1|0,0,1]=3 282 B15R2.2195 C1=CC=NC(=C1)C=CC2=CC=CC=N2 PI-25152 [1,0,0,0,0,1|2,0,0]=4 283 B15R2.2195 C1=CN=CC=C1C=CC2=CC=NC=C2 PI-25116 [1,0,0,0,0,1|2,0,0]=4 284 B15R2.2195 c1ccc(cc1)\C=C/c2ccccc2 PI-16533 [1,0,0,0,0,1|0,0,0]=2 285 B17R2.143 C1=CC=C(C=C1)CC(=O)CC2=CC=CC=C2 PI-43229 [0,0,0,0,0,2|0,0,0]=2 286 B17R2.143 C1=CC=NC(=C1)OC(=O)OC2=CC=CC=N2 PI-23084 [0,0,0,0,0,2|2,0,0]=4 287 B17R2.143 N=C(Nc1ccccc1)Nc2ccccc2 PI-38149 [0,0,0,0,0,2|1,0,0]=3 288 B17R2.2342 C1=CC=C(C=C1)CCC(=O)C2=CC=CC=C2 PI-29053 [0,0,0,0,0,2|0,0,0]=2 289 B17R2.2342 C1=CC=C(C=C1)\C=C\C(C2=CC=CC=C2)O PI-46974 [0,0,0,0,0,2|0,0,2]=4 290 B17R2.2342 CC(C1=CC=CC=C1)CCC2=CC=CC=C2 PI-42719 [0,0,0,0,0,2|1,0,1]=4 291 B17R2.2342 C[C@H](NCc1ccccc1)c2ccccc2 PI-16660 [0,0,0,0,0,2|1,0,1]=4 292 B17R2.2342 C[C@H](c1ccccc1)NCc2ccccc2 PI-16661 [0,0,0,0,0,2|1,0,1]=4 293 B17R2.2342 O=C(c1ccccc1)NCc2ccccc2 PI-28161 [0,0,0,0,0,2|0,0,0]=2 294 B17R2.2342 O=C(c1cccnc1)OCc2ccccc2 PI-33009 [0,0,0,0,0,2|1,0,0]=3 295 B17R2.2342 O=C(c1ccncc1)NNc2ccccc2 PI-37364 [0,0,0,0,0,2|1,0,0]=3