0 B11R1.91 C1=CC(=CN=C1)C=C[N+](=O)[O-] PI-27470 [0,0,0,0,0,0|2,0,1]=3 1 B11R1.91 C1=CC=C(C=C1)C=CC(=O)[O-] PI-12955 [0,0,0,0,0,0|0,0,1]=1 2 B11R1.91 C1=CC=C(C=C1)CCC(=O)Cl PI-11944 [0,0,0,0,0,0|1,0,2]=3 3 B11R1.91 C1=CC=C(C=C1)NCC(=O)O PI-14870 [0,0,0,0,0,0|1,0,1]=2 4 B11R1.91 C1=CC=C(C=C1)OCC(=O)O PI-32615 [0,0,0,0,0,0|1,0,1]=2 5 B11R1.91 C1=CC=C(C=C1)OCC(=O)[O-] PI-50538 [0,0,0,0,0,0|1,0,2]=3 6 B11R1.91 C1=CN=C(N=C1)SCC(=O)O PI-21347 [0,0,0,0,0,0|3,0,1]=4 7 B11R1.91 C1=CN=CC=C1SCC(=O)Cl PI-45977 [0,0,0,0,0,0|3,0,1]=4 8 B11R1.91 CC(=NNC1=CC=CC=C1)C PI-44567 [0,0,0,0,0,0|4,0,0]=4 9 B11R1.91 CC(=O)NNc1ccccc1 PI-32317 [0,0,0,0,0,0|3,0,0]=3 10 B11R1.91 CC(C)N=CC1=CC=CC=C1 PI-19838 [0,0,0,0,0,0|3,0,1]=4 11 B11R1.91 CN(C)N=CC1=CC=CC=C1 PI-26056 [0,0,0,0,0,0|4,0,0]=4 12 B11R1.91 C[C@@H](CCC1=CC=CC=C1)O PI-49833 [0,0,0,0,0,0|1,0,3]=4 13 B11R1.91 C[C@H](CCC1=CC=CC=C1)O PI-49832 [0,0,0,0,0,0|1,0,3]=4 14 B11R1.91 NC(=O)\C=C\c1ccccc1 PI-30792 [0,0,0,0,0,0|1,0,0]=1 15 B11R1.91 NC(=S)NCc1ccccc1 PI-20347 [0,0,0,0,0,0|2,1,1]=4 16 B11R1.91 OB(O)CCc1ccccc1 PI-25460 [0,0,0,0,0,0|1,0,3]=4 17 B11R1.91 OB(\C=C\c1ccccc1)O PI-25014 [0,0,0,0,0,0|1,0,1]=2 18 B11R1.91 OC(=O)C#Cc1ccccc1 PI-28707 [0,0,0,0,0,0|0,0,2]=2 19 B11R1.91 OC(=O)\C=C\c1ccccn1 PI-28790 [0,0,0,0,0,0|1,0,0]=1 20 B11R1.91 OC(=O)\C=C\c1cccnc1 PI-28055 [0,0,0,0,0,0|1,0,0]=1 21 B11R1.91 OC(=O)\C=C\c1ccncc1 PI-31341 [0,0,0,0,0,0|1,0,0]=1 22 B11R1.91 [O-]C(=O)CNc1ccccc1 PI-17946 [0,0,0,0,0,0|1,0,2]=3 23 B11R1.91 [O-][N+](=O)CCc1ccccc1 PI-35182 [0,0,0,0,0,0|1,0,3]=4 24 B11R1.91 [O-][N+](=O)\C=C\c1ccccc1 PI-36903 [0,0,0,0,0,0|1,0,1]=2 25 B10R1.17 C1=CC=C(C=C1)C#CCO PI-48957 [1,0,0,0,0,0|0,0,3]=4 26 B10R1.17 C1=CC=C(C=C1)NNC=O PI-29787 [1,0,0,0,0,0|2,0,0]=3 27 B10R1.17 C1=CC=C(C=C1)\C=C\CBr PI-46926 [1,0,0,0,0,0|1,0,1]=3 28 B10R1.17 C=CCOc1ccccc1 PI-36466 [1,0,0,0,0,0|2,0,1]=4 29 B10R1.17 N#C\C=C\c1ccccc1 PI-12934 [1,0,0,0,0,0|1,0,1]=3 30 B10R1.17 O=CC#Cc1ccccc1 PI-33868 [1,0,0,0,0,0|0,0,2]=3 31 B12R1.21 B(C=CC1=CC=C(C=C1)F)(O)O PI-25339 [0,1,0,0,0,0|1,0,1]=3 32 B12R1.21 C1=CC(=CC=C1C=CC(=O)O)F PI-31203 [0,1,0,0,0,0|0,0,0]=1 33 B12R1.21 C1=CC(=CC=C1C=CC(=O)O)O PI-11519 [0,1,0,0,0,0|0,0,0]=1 34 B12R1.21 C1=CC(=CC=C1CCC(=O)O)Br PI-22539 [0,1,0,0,0,0|0,0,2]=3 35 B12R1.21 C1=CC(=CC=C1CCC(=O)O)F PI-16999 [0,1,0,0,0,0|0,0,2]=3 36 B12R1.21 C1=CC(=CC=C1N)SCC(=O)O PI-17023 [0,1,0,0,0,0|1,0,1]=3 37 B12R1.21 C1=CC(=CC=C1NCC(=O)O)O PI-17923 [0,1,0,0,0,0|1,0,1]=3 38 B12R1.21 C1=CC(=CC=C1OCC(=O)Cl)Cl PI-48840 [0,1,0,0,0,0|2,0,1]=4 39 B12R1.21 C1=CC(=CC=C1OCC(=O)O)Br PI-11970 [0,1,0,0,0,0|1,0,1]=3 40 B12R1.21 C1=CC(=CC=C1OCC(=O)O)Cl PI-32616 [0,1,0,0,0,0|1,0,1]=3 41 B12R1.21 C1=CC(=CC=C1OCC(=O)O)F PI-10469 [0,1,0,0,0,0|1,0,1]=3 42 B12R1.21 C1=CC(=CC=C1OCC(=O)O)I PI-12100 [0,1,0,0,0,0|1,0,1]=3 43 B12R1.21 C1=CC(=CC=C1OCC(=O)[O-])Cl PI-48839 [0,1,0,0,0,0|1,0,2]=4 44 B12R1.21 C1=CC(=CC=C1\C=C\[N+](=O)[O-])Cl PI-46528 [0,1,0,0,0,0|1,0,1]=3 45 B12R1.21 CC(=O)C=CC1=CC=C(C=C1)O PI-29472 [0,1,0,0,0,0|1,0,0]=2 46 B12R1.21 CC(=O)CSC1=CC=C(C=C1)Cl PI-30390 [0,1,0,0,0,0|2,0,1]=4 47 B12R1.21 CC(=O)NNC1=CC=C(C=C1)Br PI-50329 [0,1,0,0,0,0|3,0,0]=4 48 B12R1.21 CC(CCC1=CC=C(O)C=C1)=O PI-37298 [0,1,0,0,0,0|1,0,2]=4 49 B12R1.21 CC1=CC=C(C=C1)C=CC(=O)O PI-11523 [0,1,0,0,0,0|0,0,0]=1 50 B12R1.21 Cc1ccc(\C=C\[N+](=O)[O-])cc1 PI-24460 [0,1,0,0,0,0|1,0,1]=3 51 B12R1.21 ClC(=O)COc1ccc(F)cc1 PI-23819 [0,1,0,0,0,0|2,0,1]=4 52 B12R1.21 Fc1ccc(\C=C\[N+](=O)[O-])cc1 PI-23806 [0,1,0,0,0,0|1,0,1]=3 53 B12R1.21 OC(=O)CCc1ccc(O)cc1 PI-11883 [0,1,0,0,0,0|0,0,2]=3 54 B12R1.21 OC(=O)CCc1ccc(cc1)C PI-12005 [0,1,0,0,0,0|0,0,2]=3 55 B12R1.21 OC(=O)CCc1ccc(cc1)Cl PI-11982 [0,1,0,0,0,0|0,0,2]=3 56 B12R1.21 OC(=O)CNc1ccc(cc1)F PI-38811 [0,1,0,0,0,0|1,0,1]=3 57 B12R1.21 OC(=O)COc1ccc(C)cc1 PI-30986 [0,1,0,0,0,0|1,0,1]=3 58 B12R1.21 OC(=O)\C=C\c1ccc(N)cc1 PI-28305 [0,1,0,0,0,0|0,0,0]=1 59 B12R1.21 OC(=O)\C=C\c1ccc(cc1)Cl PI-11979 [0,1,0,0,0,0|0,0,0]=1 60 B12R1.21 OC(=O)\C=C\c1ccc(cc1)O PI-20417 [0,1,0,0,0,0|0,0,0]=1 61 B12R1.27 C1=CC=C(C=C1)CCC(=O)NN PI-50331 [0,1,0,0,0,0|1,0,2]=4 62 B12R1.27 C1=CC=C(C=C1)CNC(=O)CCl PI-49782 [0,1,0,0,0,0|2,0,1]=4 63 B12R1.27 C1=CC=C(C=C1)COC(=O)CBr PI-32119 [0,1,0,0,0,0|2,0,1]=4 64 B12R1.27 C1=CC=C(C=C1)COC(=O)CO PI-48132 [0,1,0,0,0,0|1,0,1]=3 65 B12R1.27 C1=CC=C(C=C1)COC(=O)NN PI-13115 [0,1,0,0,0,0|2,0,1]=4 66 B12R1.27 C1=CC=C(C=C1)OCC(=O)NN PI-50252 [0,1,0,0,0,0|2,0,1]=4 67 B12R1.27 C=CC(=O)OCc1ccccc1 PI-40377 [0,1,0,0,0,0|2,0,1]=4 68 B12R1.27 CCC(=O)CCC1=CC=CC=C1 PI-33801 [0,1,0,0,0,0|1,0,2]=4 69 B12R1.27 COC(=O)CSC1=CC=CC=C1 PI-24151 [0,1,0,0,0,0|1,0,1]=3 70 B12R1.27 NCC(=O)OCc1ccccc1 PI-12180 [0,1,0,0,0,0|2,0,1]=4 71 B12R1.27 NCC(=O)OCc1ccccc1 PI-12746 [0,1,0,0,0,0|2,0,1]=4 72 B12R1.27 ONC(=O)OCc1ccccc1 PI-38635 [0,1,0,0,0,0|1,0,1]=3 73 B12R1.43 C1=CC(=CN=C1)CC(C(=O)O)N PI-14958 [0,1,0,0,0,0|1,0,2]=4 74 B12R1.43 C1=CC=C(C=C1)C=C(C(=O)O)F PI-25464 [0,1,0,0,0,0|0,0,0]=1 75 B12R1.43 C1=CC=C(C=C1)CC(C(=O)N)N PI-41047 [0,1,0,0,0,0|1,0,2]=4 76 B12R1.43 C1=CC=C(C=C1)CC(C(=O)N)N PI-42203 [0,1,0,0,0,0|1,0,2]=4 77 B12R1.43 C1=CC=C(C=C1)CC(C(=O)O)O PI-10517 [0,1,0,0,0,0|0,0,2]=3 78 B12R1.43 C1=CC=C(C=C1)CC(C(=O)O)O PI-46947 [0,1,0,0,0,0|0,0,2]=3 79 B12R1.43 C1=CC=NC(=C1)CC(C(=O)O)N PI-14954 [0,1,0,0,0,0|1,0,2]=4 80 B12R1.43 C=C(C(=O)O)Cc1ccccc1 PI-12179 [0,1,0,0,0,0|0,0,1]=2 81 B12R1.43 CC(=CC1=CC=CC=C1)C(=O)Cl PI-24345 [0,1,0,0,0,0|1,0,0]=2 82 B12R1.43 CC(=CC1=CC=CC=C1)C(=O)O PI-25085 [0,1,0,0,0,0|0,0,0]=1 83 B12R1.43 CC(C(OC1=CC=CC=C1)=O)=C PI-40378 [0,1,0,0,0,0|3,0,0]=4 84 B12R1.43 CC(Oc1ccccc1)C(=O)O PI-32598 [0,1,0,0,0,0|1,0,1]=3 85 B12R1.43 CN(C(=O)NC1=CC=CC=C1)O PI-20818 [0,1,0,0,0,0|3,0,0]=4 86 B12R1.43 N[C@@H](C(=O)O)Cc1ccccc1 PI-31261 [0,1,0,0,0,0|0,0,2]=3 87 B12R1.43 N[C@@H](C(=O)O)Cc1ccncc1 PI-25509 [0,1,0,0,0,0|1,0,2]=4 88 B12R1.43 N[C@@H](Cc1ccncc1)C(=O)O PI-25508 [0,1,0,0,0,0|1,0,2]=4 89 B12R1.43 O=C(C(=O)O)Cc1ccccc1 PI-12929 [0,1,0,0,0,0|0,0,1]=2 90 B12R1.43 OC(=O)[C@@H](Cc1ccccn1)N PI-14955 [0,1,0,0,0,0|1,0,2]=4 91 B12R1.43 OC(=O)[C@@H](Cc1cccnc1)N PI-14959 [0,1,0,0,0,0|1,0,2]=4 92 B12R1.43 O[C@@H](C(=O)O)Cc1ccccc1 PI-28788 [0,1,0,0,0,0|0,0,2]=3 93 B12R1.107 C1=CC(=CN=C1)C(CC(=O)O)N PI-45558 [0,1,0,0,0,0|1,0,2]=4 94 B12R1.107 C1=CC=C(C=C1)C(=O)C[N+](=O)[O-] PI-21378 [0,1,0,0,0,0|1,0,2]=4 95 B12R1.107 C1=CC=C(C=C1)C(CC(=O)O)N PI-18757 [0,1,0,0,0,0|0,0,2]=3 96 B12R1.107 C1=CC=C(C=C1)C(CC(=O)O)N PI-32818 [0,1,0,0,0,0|0,0,2]=3 97 B12R1.107 CC(C1=CC=CC=C1)NC(=O)C PI-26590 [0,1,0,0,0,0|2,0,1]=4 98 B12R1.107 CC(N[C@H](C1=CC=CC=C1)C)=O PI-26251 [0,1,0,0,0,0|2,0,1]=4 99 B12R1.107 CC(c1ccccc1)CC(=O)O PI-25588 [0,1,0,0,0,0|0,0,2]=3 100 B12R1.107 NC(=S)NC(=O)c1ccccc1 PI-28687 [0,1,0,0,0,0|2,1,0]=4 101 B12R1.107 N[C@H](c1ccccc1)CC(=O)O PI-18530 [0,1,0,0,0,0|0,0,2]=3 102 B12R1.107 OC(=O)C[C@@H](N)c1ccccc1 PI-18173 [0,1,0,0,0,0|0,0,2]=3 103 B12R1.107 OC(=O)C[C@@H](N)c1ccccc1 PI-18923 [0,1,0,0,0,0|0,0,2]=3 104 B12R1.107 OC(=O)C[C@@H](N)c1ccccc1 PI-18924 [0,1,0,0,0,0|0,0,2]=3 105 B12R1.125 C1=CC=C(C(=C1)C=CC(=O)Cl)Cl PI-20015 [0,1,0,0,0,0|1,0,0]=2 106 B12R1.125 C1=CC=C(C(=C1)C=CC(=O)O)Cl PI-23702 [0,1,0,0,0,0|0,0,0]=1 107 B12R1.125 C1=CC=C(C(=C1)C=CC(=O)O)F PI-31196 [0,1,0,0,0,0|0,0,0]=1 108 B12R1.125 C1=CC=C(C(=C1)C=C[N+](=O)[O-])Cl PI-30466 [0,1,0,0,0,0|1,0,1]=3 109 B12R1.125 C1=CC=C(C(=C1)CCC(=O)O)Cl PI-16404 [0,1,0,0,0,0|0,0,2]=3 110 B12R1.125 C1=CC=C(C(=C1)CCC(=O)O)F PI-16997 [0,1,0,0,0,0|0,0,2]=3 111 B12R1.125 C1=CC=C(C(=C1)CCC(=O)O)O PI-20847 [0,1,0,0,0,0|0,0,2]=3 112 B12R1.125 C1=CC=C(C(=C1)OCC(=O)O)Cl PI-32617 [0,1,0,0,0,0|1,0,1]=3 113 B12R1.125 CC1=CC=CC=C1CCC(=O)O PI-24240 [0,1,0,0,0,0|0,0,2]=3 114 B12R1.125 CC1=CC=CC=C1OCC(=O)O PI-30248 [0,1,0,0,0,0|1,0,1]=3 115 B12R1.125 O=C(O)\C=C\C1=CC=CC=C1O PI-11520 [0,1,0,0,0,0|0,0,0]=1 116 B12R1.125 OC(=O)CCc1ccccc1Br PI-22537 [0,1,0,0,0,0|0,0,2]=3 117 B12R1.125 OC(=O)\C=C\c1ccccc1C PI-11522 [0,1,0,0,0,0|0,0,0]=1 118 B12R1.226 C1=CC(=CC(=C1)Cl)C=CC(=O)O PI-11920 [0,1,0,0,0,0|0,0,0]=1 119 B12R1.226 C1=CC(=CC(=C1)Cl)OCC(=O)O PI-50533 [0,1,0,0,0,0|1,0,1]=3 120 B12R1.226 C1=CC(=CC(=C1)F)C=CC(=O)O PI-31202 [0,1,0,0,0,0|0,0,0]=1 121 B12R1.226 C1=CC(=CC(=C1)O)C=CC(=O)O PI-11521 [0,1,0,0,0,0|0,0,0]=1 122 B12R1.226 C1=CC(=CC(=C1)O)CCC(=O)O PI-20848 [0,1,0,0,0,0|0,0,2]=3 123 B12R1.226 CC1=CC(=CC=C1)C=CC(=O)O PI-30448 [0,1,0,0,0,0|0,0,0]=1 124 B12R1.226 CC1=CC(=CC=C1)CCC(=O)O PI-24369 [0,1,0,0,0,0|0,0,2]=3 125 B12R1.226 CC1=CC(=CC=C1)OCC(=O)O PI-50532 [0,1,0,0,0,0|1,0,1]=3 126 B12R1.226 OC(=O)CCc1cccc(c1)Br PI-22538 [0,1,0,0,0,0|0,0,2]=3 127 B12R1.226 OC(=O)CCc1cccc(c1)F PI-16998 [0,1,0,0,0,0|0,0,2]=3 128 B12R1.226 OC(=O)\C=C\c1cccc(c1)Br PI-20686 [0,1,0,0,0,0|0,0,0]=1 129 B12R2.24 BrC1=CC=C2N=CC=CC2=C1 PI-41127 [0,0,0,1,0,0|3,0,0]=4 130 B12R2.24 Brc1ccc2c(c1)ccnc2 PI-17753 [0,0,0,1,0,0|3,0,0]=4 131 B12R2.24 Brc1ccc2ccccc2c1 PI-11812 [0,0,0,1,0,0|2,0,0]=3 132 B12R2.24 C1=CC(=CC2=C1C=CN=C2)O PI-17780 [0,0,0,1,0,0|2,0,0]=3 133 B12R2.24 C1=CC(=NC2=C1C=NC=C2)N PI-48335 [0,0,0,1,0,0|3,0,0]=4 134 B12R2.24 C1=CC2=C(C=C(C=C2)N)N=C1 PI-45912 [0,0,0,1,0,0|3,0,0]=4 135 B12R2.24 C1=CC2=C(C=CC(=C2)Br)N=C1 PI-29666 [0,0,0,1,0,0|3,0,0]=4 136 B12R2.24 C1=CC2=C(C=CC(=C2)Cl)N=C1 PI-11112 [0,0,0,1,0,0|3,0,0]=4 137 B12R2.24 C1=CC2=C(C=CC(=N2)Cl)N=C1 PI-45472 [0,0,0,1,0,0|3,0,0]=4 138 B12R2.24 C1=CC2=C(C=CN=C2)C=C1N PI-48190 [0,0,0,1,0,0|3,0,0]=4 139 B12R2.24 C1=CC2=CC(=O)NC=C2C=C1 PI-29911 [0,0,0,1,0,0|2,0,0]=3 140 B12R2.24 C1=CC=C2C(=C1)C=C(C=N2)Br PI-16426 [0,0,0,1,0,0|3,0,0]=4 141 B12R2.24 C1=CC=C2C(=C1)C=C(C=N2)O PI-35162 [0,0,0,1,0,0|2,0,0]=3 142 B12R2.24 C1=CC=C2C(=C1)C=CC(=N2)Br PI-29304 [0,0,0,1,0,0|2,0,0]=3 143 B12R2.24 C1=CC=C2C(=C1)C=CC(=N2)N PI-11108 [0,0,0,1,0,0|2,0,0]=3 144 B12R2.24 C1=CC=C2C(=C1)C=CC(=S)N2 PI-29414 [0,0,0,1,0,0|1,1,0]=3 145 B12R2.24 C1=CC=C2C(=C1)N=CC(=N2)Cl PI-49348 [0,0,0,1,0,0|3,0,0]=4 146 B12R2.24 C1=CC=C2C(=C1)NC(=O)C=N2 PI-49857 [0,0,0,1,0,0|2,0,0]=3 147 B12R2.24 C1=CC=C2C=C(C=CC2=C1)Cl PI-24669 [0,0,0,1,0,0|2,0,0]=3 148 B12R2.24 C1=CC=C2C=[N+](C=CC2=C1)[O-] PI-17902 [0,0,0,1,0,0|2,0,1]=4 149 B12R2.24 C1C(=O)NC2=CC=CC=C2N1 PI-50558 [0,0,0,1,0,0|2,0,1]=4 150 B12R2.24 CC1=CC2=CC=CC=C2N=C1 PI-16429 [0,0,0,1,0,0|3,0,0]=4 151 B12R2.24 CC1=CC=C2N=CC=CC2=N1 PI-40595 [0,0,0,1,0,0|3,0,0]=4 152 B12R2.24 Cc1ccc2c(n1)cccc2 PI-11867 [0,0,0,1,0,0|2,0,0]=3 153 B12R2.24 Clc1ccc2ccccc2n1 PI-16418 [0,0,0,1,0,0|2,0,0]=3 154 B12R2.24 FC1=CC=C2C=CC=CC2=C1 PI-37208 [0,0,0,1,0,0|2,0,0]=3 155 B12R2.24 Ic1ccc2c(c1)cccc2 PI-18754 [0,0,0,1,0,0|2,0,0]=3 156 B12R2.24 NC1=NC=C2C=CC=CC2=N1 PI-46795 [0,0,0,1,0,0|3,0,0]=4 157 B12R2.24 Nc1ccc2c(c1)cccc2 PI-25969 [0,0,0,1,0,0|2,0,0]=3 158 B12R2.24 Nc1ccc2c(c1)cccn2 PI-29716 [0,0,0,1,0,0|3,0,0]=4 159 B12R2.24 Nc1cnc2ccccc2c1 PI-29717 [0,0,0,1,0,0|3,0,0]=4 160 B12R2.24 Nc1ncc2ccccc2c1 PI-14103 [0,0,0,1,0,0|3,0,0]=4 161 B12R2.24 O=C1CCc2c(C1)cccc2 PI-18642 [0,0,0,1,0,0|1,0,2]=4 162 B12R2.24 O=C1CCc2c(N1)cccc2 PI-29698 [0,0,0,1,0,0|1,0,2]=4 163 B12R2.24 O=C1CSc2c(N1)cccc2 PI-14812 [0,0,0,1,0,0|2,0,1]=4 164 B12R2.24 O=C1OCc2ccccc2C1 PI-10151 [0,0,0,1,0,0|2,0,1]=4 165 B12R2.24 Oc1ccc2c(c1)cccn2 PI-11465 [0,0,0,1,0,0|2,0,0]=3 166 B12R2.24 Oc1ccc2c(c1)nccc2 PI-12046 [0,0,0,1,0,0|2,0,0]=3 167 B12R2.24 Oc1ccc2c(n1)cccc2 PI-17352 [0,0,0,1,0,0|1,0,0]=2 168 B12R2.24 Oc1ccc2cnccc2c1 PI-34184 [0,0,0,1,0,0|2,0,0]=3 169 B12R2.24 SC1=CC=C2C=CC=CC2=C1 PI-25970 [0,0,0,1,0,0|1,1,0]=3 170 B12R2.2403 C1=CC=C2C(=C1)C=CS2(=O)=O PI-30948 [0,0,0,1,0,0|1,0,1]=3 171 B12R2.3190 C1C(C2=CC=CC=C21)C(=O)O PI-40937 [0,0,0,1,0,0|0,0,2]=3 172 B10R1.18 B(CC1=CC=CC=C1)(O)O PI-49945 [0,0,0,0,1,0|1,0,2]=4 173 B10R1.18 BrC(=Cc1ccccc1)Br PI-35682 [0,0,0,0,1,0|2,0,0]=3 174 B10R1.18 C1=CC(=CN=C1)CC(=O)O PI-13521 [0,0,0,0,1,0|1,0,1]=3 175 B10R1.18 C1=CC(=CN=C1)CC(=O)O PI-16758 [0,0,0,0,1,0|1,0,1]=3 176 B10R1.18 C1=CC=C(C=C1)N=C(N)N PI-11304 [0,0,0,0,1,0|3,0,0]=4 177 B10R1.18 C1=CC=C(C=C1)OC(=O)N PI-10948 [0,0,0,0,1,0|2,0,0]=3 178 B10R1.18 C1=CC=NC(=C1)CC(=O)O PI-16725 [0,0,0,0,1,0|1,0,1]=3 179 B10R1.18 C1=CC=[N+](C=C1)CC(=O)N PI-15939 [0,0,0,0,1,0|2,0,1]=4 180 B10R1.18 CC(=CC1=CC=CC=C1)C PI-47118 [0,0,0,0,1,0|2,0,0]=3 181 B10R1.18 CC(=O)CC1=CC=NC=C1 PI-24530 [0,0,0,0,1,0|2,0,1]=4 182 B10R1.18 CC(=O)C[N+]1=CC=CC=C1 PI-17935 [0,0,0,0,1,0|2,0,1]=4 183 B10R1.18 CC(=O)C[N+]1=CC=CC=C1 PI-30609 [0,0,0,0,1,0|2,0,1]=4 184 B10R1.18 CC(CC1=NC=CC=C1)=O PI-41787 [0,0,0,0,1,0|2,0,1]=4 185 B10R1.18 ClC(=S)Oc1ccccc1 PI-13044 [0,0,0,0,1,0|2,1,0]=4 186 B10R1.18 NC(=Nc1ccccc1)N PI-20950 [0,0,0,0,1,0|3,0,0]=4 187 B10R1.18 OC(=O)Cc1cccnc1 PI-28588 [0,0,0,0,1,0|1,0,1]=3 188 B10R1.18 OC(=O)Cc1ccncc1 PI-16726 [0,0,0,0,1,0|1,0,1]=3 189 B10R1.18 OC(=O)Cc1cncnc1 PI-32944 [0,0,0,0,1,0|2,0,1]=4 190 B10R1.66 C1=COC(=C1)C=C[N+](=O)[O-] PI-17051 [0,0,0,0,1,0|2,0,1]=4 191 B10R1.66 C1=COC=C1C=CC(=O)O PI-17379 [0,0,0,0,1,0|1,0,0]=2 192 B10R1.66 C1=CSC(=C1)C=C[N+](=O)[O-] PI-24337 [0,0,0,0,1,0|2,0,1]=4 193 B10R1.66 C1=CSC(=C1)C=C[N+](=O)[O-] PI-31466 [0,0,0,0,1,0|2,0,1]=4 194 B10R1.66 C1=CSC=C1C=CC(=O)O PI-29082 [0,0,0,0,1,0|1,0,0]=2 195 B10R1.66 CC(=O)C=CC1=CC=CO1 PI-17492 [0,0,0,0,1,0|2,0,0]=3 196 B10R1.66 CC(=O)C=CC1=CC=CS1 PI-29954 [0,0,0,0,1,0|2,0,0]=3 197 B10R1.66 OC(=O)CCc1cccs1 PI-24513 [0,0,0,0,1,0|1,0,2]=4 198 B10R1.66 OC(=O)\C=C\c1c[nH]cn1 PI-27057 [0,0,0,0,1,0|2,0,0]=3 199 B10R1.66 OC(=O)\C=C\c1ccco1 PI-28626 [0,0,0,0,1,0|1,0,0]=2 200 B10R1.66 OC(=O)\C=C\c1ccco1 PI-31027 [0,0,0,0,1,0|1,0,0]=2 201 B10R1.66 OC(=O)\C=C\c1cccs1 PI-28053 [0,0,0,0,1,0|1,0,0]=2 202 B10R1.66 OC(=O)\C=C\c1cccs1 PI-39126 [0,0,0,0,1,0|1,0,0]=2 203 B12R1.252 C1=CC=C(C=C1)CNCC(=O)O PI-28809 [0,0,0,0,0,1|0,0,2]=3 204 B12R1.252 C1=CC=C(C=C1)OCCC(=O)O PI-32597 [0,0,0,0,0,1|0,0,2]=3 205 B12R1.252 CC(=O)CSCC1=CC=CC=C1 PI-12794 [0,0,0,0,0,1|1,0,2]=4 206 B12R1.252 CC(=O)NCCC1=CC=CC=C1 PI-26960 [0,0,0,0,0,1|1,0,2]=4 207 B12R1.252 ClC(=O)COCc1ccccc1 PI-35826 [0,0,0,0,0,1|1,0,2]=4 208 B12R1.252 OC(=O)CCCc1ccccc1 PI-29265 [0,0,0,0,0,1|0,0,2]=3 209 B12R1.252 OC(=O)CNCc1ccccc1 PI-27252 [0,0,0,0,0,1|0,0,2]=3 210 B12R1.252 OC(=O)COCc1ccccc1 PI-33690 [0,0,0,0,0,1|0,0,2]=3 211 B12R1.252 [O-]C(=O)CCCc1ccccc1 PI-38535 [0,0,0,0,0,1|0,0,3]=4 212 B9R1.8 C1=CC=C(C=C1)C=CBr PI-12915 [2,0,0,0,0,0|1,0,0]=3 213 B9R1.8 C1=CN=CC=C1C=NO PI-41016 [2,0,0,0,0,0|2,0,0]=4 214 B9R1.8 C=CCC1=CC=CC=C1 PI-36465 [2,0,0,0,0,0|0,0,1]=3 215 B9R1.8 C\C=C\C1=CC=CC=C1 PI-42685 [2,0,0,0,0,0|0,0,1]=3 216 B9R1.8 C\C=C\C1=CC=CC=C1 PI-46536 [2,0,0,0,0,0|0,0,1]=3 217 B9R1.8 ONCC1=CC=CC=C1 PI-42266 [2,0,0,0,0,0|1,0,1]=4 218 B9R1.8 O\N=C\c1ccccn1 PI-38007 [2,0,0,0,0,0|2,0,0]=4 219 B11R1.1 C1=CC(=CC=C1C=CC#N)F PI-23561 [1,1,0,0,0,0|1,0,1]=4 220 B11R1.1 C1=CC(=CC=C1CCC=O)F PI-45774 [1,1,0,0,0,0|0,0,2]=4 221 B11R1.1 C1=CC(=CC=C1\C=C\C=O)Br PI-46501 [1,1,0,0,0,0|0,0,0]=2 222 B11R1.1 C1=CC(=CC=C1\C=C\C=O)F PI-46524 [1,1,0,0,0,0|0,0,0]=2 223 B11R1.1 O=C\C=C/c1ccc(F)cc1 PI-32827 [1,1,0,0,0,0|0,0,0]=2 224 B11R1.16 C1=CC=C(C=C1)C(=O)N=C=O PI-50644 [1,1,0,0,0,0|1,0,1]=4 225 B11R1.16 C=COC(=O)C1=CC=CC=C1 PI-44652 [1,1,0,0,0,0|2,0,0]=4 226 B11R1.16 O\N=C\C(=O)c1ccccc1 PI-29665 [1,1,0,0,0,0|1,0,0]=3 227 B11R1.17 C1=CC=C(C(=C1)\C=C\C=O)Br PI-46499 [1,1,0,0,0,0|0,0,0]=2 228 B11R1.17 C1=CC=C(C(=C1)\C=C\C=O)F PI-46537 [1,1,0,0,0,0|0,0,0]=2 229 B11R1.24 C1=CC(=CC(=C1)Br)\C=C\C=O PI-46500 [1,1,0,0,0,0|0,0,0]=2 230 B11R1.24 C1=CC(=CC(=C1)Cl)\C=C\C=O PI-46546 [1,1,0,0,0,0|0,0,0]=2 231 B11R1.24 O=C\C=C\C1=CC=CC(F)=C1 PI-46535 [1,1,0,0,0,0|0,0,0]=2 232 B11R1.40 C1=CC=C(C=C1)C=C(C=O)Br PI-12957 [1,1,0,0,0,0|0,0,0]=2 233 B11R1.40 C=CC(OC1=CC=CC=C1)=O PI-41188 [1,1,0,0,0,0|2,0,0]=4 234 B11R1.20 C1=CC(=CC=C1CC(=O)Cl)F PI-28554 [0,1,0,0,1,0|1,0,1]=4 235 B11R1.20 C1=CC(=CC=C1CC(=O)N)O PI-16441 [0,1,0,0,1,0|1,0,1]=4 236 B11R1.20 C1=CC(=CC=C1CC(=O)O)Br PI-12711 [0,1,0,0,1,0|0,0,1]=3 237 B11R1.20 C1=CC(=CC=C1CC(=O)O)Cl PI-32618 [0,1,0,0,1,0|0,0,1]=3 238 B11R1.20 C1=CC(=CC=C1CC(=O)O)N PI-25083 [0,1,0,0,1,0|0,0,1]=3 239 B11R1.20 C1=CC(=CC=C1CC(C)=O)F PI-39618 [0,1,0,0,1,0|1,0,1]=4 240 B11R1.20 C1=CC(=CC=C1OC(=O)Cl)Cl PI-18893 [0,1,0,0,1,0|2,0,0]=4 241 B11R1.20 C1=CC(=NC=C1CC(=O)O)Cl PI-32201 [0,1,0,0,1,0|1,0,1]=4 242 B11R1.20 CC(=O)Cc1ccc(cc1)Br PI-38548 [0,1,0,0,1,0|1,0,1]=4 243 B11R1.20 CC(=O)N=C1C=CC(=O)C=C1 PI-26690 [0,1,0,0,1,0|2,0,0]=4 244 B11R1.20 CC(=O)NC1=CC=C(C=C1)Br PI-24030 [0,1,0,0,1,0|2,0,0]=4 245 B11R1.20 CC(=O)NC1=CC=C(C=C1)F PI-34152 [0,1,0,0,1,0|2,0,0]=4 246 B11R1.20 CC(=O)NC1=CC=C(C=C1)S PI-26064 [0,1,0,0,1,0|2,0,0]=4 247 B11R1.20 CC(=O)OC1=CC=C(C=C1)F PI-16968 [0,1,0,0,1,0|2,0,0]=4 248 B11R1.20 CC(=O)OC1=CC=C(C=C1)O PI-49042 [0,1,0,0,1,0|2,0,0]=4 249 B11R1.20 CC(=O)Oc1ccc(cc1)Br PI-35155 [0,1,0,0,1,0|2,0,0]=4 250 B11R1.20 CC(=O)SC1=CC=C(C=C1)I PI-35183 [0,1,0,0,1,0|2,0,0]=4 251 B11R1.20 CC(OC1=CC=C(N)C=C1)=O PI-37062 [0,1,0,0,1,0|2,0,0]=4 252 B11R1.20 CC1=CC=C(C=C1)CC(=O)O PI-30795 [0,1,0,0,1,0|0,0,1]=3 253 B11R1.20 CC1=CC=C(C=C1)NC(=O)N PI-24527 [0,1,0,0,1,0|2,0,0]=4 254 B11R1.20 CC1=CN=C(C=C1)CC(=O)O PI-48028 [0,1,0,0,1,0|1,0,1]=4 255 B11R1.20 ClC(=O)Cc1ccc(Br)cc1 PI-22240 [0,1,0,0,1,0|1,0,1]=4 256 B11R1.20 ClC(=O)Cc1ccc(C)cc1 PI-24891 [0,1,0,0,1,0|1,0,1]=4 257 B11R1.20 OC(=O)Cc1ccc(F)cc1 PI-16969 [0,1,0,0,1,0|0,0,1]=3 258 B11R1.20 OC(=O)Cc1ccc(I)cc1 PI-30230 [0,1,0,0,1,0|0,0,1]=3 259 B11R1.20 OC(=O)Cc1ccc(O)cc1 PI-11992 [0,1,0,0,1,0|0,0,1]=3 260 B11R1.20 OC(=O)Cc1ccc(S)cc1 PI-30560 [0,1,0,0,1,0|0,0,1]=3 261 B11R1.36 C1=CC=C(C=C1)C(C(=O)O)Br PI-12709 [0,1,0,0,1,0|0,0,1]=3 262 B11R1.36 C1=CC=C(C=C1)C(C(=O)O)N PI-18442 [0,1,0,0,1,0|0,0,1]=3 263 B11R1.36 C1=CC=C(C=C1)C(C(=O)O)O PI-33913 [0,1,0,0,1,0|0,0,1]=3 264 B11R1.36 C1=CN=CC=C1C(C(=O)O)N PI-36241 [0,1,0,0,1,0|1,0,1]=4 265 B11R1.36 C=C(C1=CC=CC=C1)C(=O)O PI-11241 [0,1,0,0,1,0|0,0,0]=2 266 B11R1.36 CC(C(=O)O)c1ccccc1 PI-11879 [0,1,0,0,1,0|0,0,1]=3 267 B11R1.36 CC(C1=CC=CC=C1)C(=O)O PI-10358 [0,1,0,0,1,0|0,0,1]=3 268 B11R1.36 C[C@@H](c1ccccc1)C(=O)O PI-10357 [0,1,0,0,1,0|0,0,1]=3 269 B11R1.36 FC(C(=O)O)c1ccccc1 PI-30175 [0,1,0,0,1,0|0,0,1]=3 270 B11R1.36 N[C@@H](c1ccccc1)C(=O)N PI-37984 [0,1,0,0,1,0|1,0,1]=4 271 B11R1.36 O=C(C(=O)C)c1ccccc1 PI-32566 [0,1,0,0,1,0|1,0,0]=3 272 B11R1.36 O=C(C(=O)O)c1ccccc1 PI-30769 [0,1,0,0,1,0|0,0,0]=2 273 B11R1.36 O[C@@H](C(=O)O)c1ccccc1 PI-10352 [0,1,0,0,1,0|0,0,1]=3 274 B11R1.36 O[C@@H](c1ccccc1)C(=O)O PI-10351 [0,1,0,0,1,0|0,0,1]=3 275 B11R1.86 C1=CC=C(C(=C1)CC(=O)O)Br PI-14498 [0,1,0,0,1,0|0,0,1]=3 276 B11R1.86 C1=CC=C(C(=C1)CC(=O)O)O PI-10304 [0,1,0,0,1,0|0,0,1]=3 277 B11R1.86 CC(=O)Cc1ccccc1F PI-38595 [0,1,0,0,1,0|1,0,1]=4 278 B11R1.86 CC(=O)NC1=CC=CC=C1Br PI-50525 [0,1,0,0,1,0|2,0,0]=4 279 B11R1.86 CC(=O)NC1=CC=CC=C1F PI-34151 [0,1,0,0,1,0|2,0,0]=4 280 B11R1.86 CC(=O)NC1=CC=CC=C1O PI-11773 [0,1,0,0,1,0|2,0,0]=4 281 B11R1.86 CC(=O)Nc1ccccc1N PI-39094 [0,1,0,0,1,0|2,0,0]=4 282 B11R1.86 CC(=O)OC1=CC=CC=C1Cl PI-10924 [0,1,0,0,1,0|2,0,0]=4 283 B11R1.86 ClC(=O)Cc1ccccc1C PI-24889 [0,1,0,0,1,0|1,0,1]=4 284 B11R1.86 OC(=O)Cc1ccccc1C PI-30825 [0,1,0,0,1,0|0,0,1]=3 285 B11R1.86 OC(=O)Cc1ccccc1Cl PI-11828 [0,1,0,0,1,0|0,0,1]=3 286 B11R1.86 OC(=O)Cc1ccccc1F PI-16981 [0,1,0,0,1,0|0,0,1]=3 287 B11R1.86 OC(=O)Cc1ccccc1I PI-12208 [0,1,0,0,1,0|0,0,1]=3 288 B11R1.157 C1=CC(=CC(=C1)Br)CC(=O)O PI-22281 [0,1,0,0,1,0|0,0,1]=3 289 B11R1.157 C1=CC(=CC(=C1)Cl)CC(=O)O PI-16021 [0,1,0,0,1,0|0,0,1]=3 290 B11R1.157 C1=CC(=CC(=C1)I)CC(=O)O PI-30249 [0,1,0,0,1,0|0,0,1]=3 291 B11R1.157 CC(=O)Cc1cccc(c1)Br PI-38558 [0,1,0,0,1,0|1,0,1]=4 292 B11R1.157 CC(=O)NC1=CC(=CC=C1)Br PI-50520 [0,1,0,0,1,0|2,0,0]=4 293 B11R1.157 CC(=O)NC1=CC(=CC=C1)F PI-23433 [0,1,0,0,1,0|2,0,0]=4 294 B11R1.157 CC(=O)NC1=CC=CC(=C1)N PI-17432 [0,1,0,0,1,0|2,0,0]=4 295 B11R1.157 CC(=O)OC1=CC(=CC=C1)F PI-26855 [0,1,0,0,1,0|2,0,0]=4 296 B11R1.157 OC(=O)Cc1cccc(c1)F PI-16930 [0,1,0,0,1,0|0,0,1]=3 297 B11R1.157 OC(=O)Cc1cccc(c1)N PI-31063 [0,1,0,0,1,0|0,0,1]=3 298 B11R1.157 OC(=O)Cc1cccc(c1)O PI-11931 [0,1,0,0,1,0|0,0,1]=3 299 B11R1.509 OP(=O)(Cc1ccccc1)O PI-30850 [0,1,0,0,1,0|1,0,1]=4 300 B11R1.25 COC(=O)C=CC1=CC=CS1 PI-29331 [0,1,0,0,1,0|1,0,0]=3 301 B11R1.75 OC(=O)\C=C\c1cc(Br)cs1 PI-22619 [0,1,0,0,1,0|1,0,0]=3 302 B11R1.90 CC1=C(N=CN1)C=CC(=O)O PI-36284 [0,1,0,0,1,0|2,0,0]=4 303 B13R1.45 C1=CC=C(C=C1)C(=O)C=CC(=O)O PI-30741 [0,1,0,0,0,1|0,0,0]=2 304 B13R1.45 C1=CC=C(C=C1)C(=O)NCC(=O)O PI-48841 [0,1,0,0,0,1|0,0,1]=3 305 B13R1.45 CC(=O)OCC(=O)C1=CC=CC=C1 PI-26318 [0,1,0,0,0,1|1,0,1]=4 306 B13R1.45 O=C(O)CSC(C1=CC=CC=C1)=S PI-18986 [0,1,0,0,0,1|0,0,1]=3 307 B13R1.45 OC(=O)CCC(=O)c1ccccn1 PI-14681 [0,1,0,0,0,1|1,0,1]=4 308 B13R1.149 OC(=O)CCCc1cccc(c1)N PI-26975 [0,1,0,0,0,1|0,0,2]=4 309 B13R1.348 C1=CC=C(C=C1)OC(=O)CC(=O)O PI-18496 [0,1,0,0,0,1|0,0,1]=3 310 B13R1.348 CC(=CC1=CC=CC=C1)CC(=O)N PI-17442 [0,1,0,0,0,1|1,0,0]=3 311 B13R1.348 OC(=O)C[C@@H](N)Cc1ccccc1 PI-13008 [0,1,0,0,0,1|0,0,2]=4 312 B13R1.348 OC(=O)C[C@H](N)Cc1ccccc1 PI-13007 [0,1,0,0,0,1|0,0,2]=4 313 B13R1.351 C1=C(CCC(C(O)=O)N)C=CC=C1 PI-16082 [0,1,0,0,0,1|0,0,2]=4 314 B13R1.351 C1=CC=C(C=C1)CCC(=O)C(=O)O PI-32065 [0,1,0,0,0,1|0,0,1]=3 315 B13R1.351 C1=CC=C(C=C1)CCC(C(=O)O)N PI-14962 [0,1,0,0,0,1|0,0,2]=4 316 B13R1.351 C1=CC=C(C=C1)CCC(C(=O)O)N PI-18071 [0,1,0,0,0,1|0,0,2]=4 317 B13R1.351 C1=CC=C(C=C1)CCC(C(=O)O)O PI-20839 [0,1,0,0,0,1|0,0,2]=4 318 B13R1.351 C1=CC=C(C=C1)CCC(C(=O)O)O PI-26069 [0,1,0,0,0,1|0,0,2]=4 319 B13R1.351 C1=CC=C(C=C1)SCC(C(=O)O)N PI-14285 [0,1,0,0,0,1|0,0,2]=4 320 B13R1.351 NC(C(=O)O)CCc1ccccc1 PI-26025 [0,1,0,0,0,1|0,0,2]=4 321 B13R1.513 C1=CC(=CC=C1CCCC(=O)O)F PI-26771 [0,1,0,0,0,1|0,0,2]=4 322 B13R1.513 C1=CC(=CC=C1CCCC(=O)O)N PI-26159 [0,1,0,0,0,1|0,0,2]=4 323 B13R1.513 C1=CC(=CC=C1OCCC(=O)O)F PI-17000 [0,1,0,0,0,1|0,0,2]=4 324 B13R1.513 CC1=CC=C(C=C1)CCCC(=O)O PI-26662 [0,1,0,0,0,1|0,0,2]=4 325 B13R1.513 O=C(O)CCCC1=CC=C(Br)C=C1 PI-46620 [0,1,0,0,0,1|0,0,2]=4 326 B13R1.513 OC(=O)CCCc1ccc(cc1)I PI-26518 [0,1,0,0,0,1|0,0,2]=4 327 B13R1.718 COC(=O)CCNC1=CC=CC=C1 PI-35472 [0,1,0,0,0,1|0,0,2]=4 328 B13R1.718 COC(=O)CNCC1=CC=CC=C1 PI-36062 [0,1,0,0,0,1|0,0,2]=4 329 B13R1.718 COC(=O)CNCC1=CC=CC=C1 PI-48770 [0,1,0,0,0,1|0,0,2]=4 330 B13R1.718 COC(=O)COCC1=CC=CC=C1 PI-50530 [0,1,0,0,0,1|0,0,2]=4 331 B13R1.3 C1=CC(=CC=C1C=CC(=O)O)C#N PI-20293 [0,2,0,0,0,0|0,0,0]=2 332 B13R1.3 COC1=CC=C(C=C1)CCC(=O)O PI-11503 [0,2,0,0,0,0|0,0,2]=4 333 B13R1.3 COC1=CC=C(C=C1)OCC(=O)O PI-32588 [0,2,0,0,0,0|1,0,1]=4 334 B13R1.3 COC1=CC=C(C=C1)\C=C\[N+](=O)[O-] PI-46513 [0,2,0,0,0,0|1,0,1]=4 335 B13R1.3 O=C(O)CNC1=CC=C(C#N)C=C1 PI-41138 [0,2,0,0,0,0|1,0,1]=4 336 B13R1.3 O=Cc1ccc(cc1)\C=C\C(=O)O PI-12941 [0,2,0,0,0,0|0,0,0]=2 337 B13R1.3 OCc1ccc(OCC(=O)O)cc1 PI-33775 [0,2,0,0,0,0|1,0,1]=4 338 B13R1.14 COC(=O)C=CC1=CC=C(C=C1)Cl PI-30910 [0,2,0,0,0,0|0,0,0]=2 339 B13R1.14 COC(=O)C=CC1=CC=C(C=C1)O PI-12062 [0,2,0,0,0,0|0,0,0]=2 340 B13R1.14 COC(=O)CCC1=CC=C(C=C1)O PI-11989 [0,2,0,0,0,0|0,0,2]=4 341 B13R1.14 COC(=O)COC1=CC=C(C=C1)Br PI-50596 [0,2,0,0,0,0|1,0,1]=4 342 B13R1.14 O=C(OC)\C=C\C1=CC=C(F)C=C1 PI-33638 [0,2,0,0,0,0|0,0,0]=2 343 B13R1.132 C1=CC(=CC=C1C(CC(=O)O)N)Br PI-43723 [0,2,0,0,0,0|0,0,2]=4 344 B13R1.132 C1=CC(=CC=C1C(CC(=O)O)N)Br PI-43789 [0,2,0,0,0,0|0,0,2]=4 345 B13R1.132 C1=CC(=CC=C1C(CC(=O)O)N)Cl PI-30270 [0,2,0,0,0,0|0,0,2]=4 346 B13R1.132 C1=CC(=CC=C1C(CC(=O)O)N)F PI-15932 [0,2,0,0,0,0|0,0,2]=4 347 B13R1.132 C1=CC(=CC=C1C(CC(=O)O)N)O PI-43808 [0,2,0,0,0,0|0,0,2]=4 348 B13R1.132 C1=CC(=CC=C1C(CC(=O)O)N)O PI-43854 [0,2,0,0,0,0|0,0,2]=4 349 B13R1.132 CC(=O)CC(=O)C1=CC=C(Br)C=C1 PI-40768 [0,2,0,0,0,0|1,0,1]=4 350 B13R1.132 CC(=O)CC(=O)C1=CC=C(C=C1)F PI-38943 [0,2,0,0,0,0|1,0,1]=4 351 B13R1.132 CC1=CC=C(C=C1)C(CC(=O)O)N PI-30845 [0,2,0,0,0,0|0,0,2]=4 352 B13R1.133 C1=CC(=CC=C1CC(C(=O)O)N)Br PI-28307 [0,2,0,0,0,0|0,0,2]=4 353 B13R1.133 C1=CC(=CC=C1CC(C(=O)O)N)Br PI-28700 [0,2,0,0,0,0|0,0,2]=4 354 B13R1.133 C1=CC(=CC=C1CC(C(=O)O)N)Cl PI-10516 [0,2,0,0,0,0|0,0,2]=4 355 B13R1.133 C1=CC(=CC=C1CC(C(=O)O)N)Cl PI-28142 [0,2,0,0,0,0|0,0,2]=4 356 B13R1.133 C1=CC(=CC=C1CC(C(=O)O)N)F PI-18608 [0,2,0,0,0,0|0,0,2]=4 357 B13R1.133 C1=CC(=CC=C1CC(C(=O)O)N)F PI-28063 [0,2,0,0,0,0|0,0,2]=4 358 B13R1.133 C1=CC(=CC=C1CC(C(=O)O)N)I PI-28308 [0,2,0,0,0,0|0,0,2]=4 359 B13R1.133 C1=CC(=CC=C1CC(C(=O)O)N)I PI-28701 [0,2,0,0,0,0|0,0,2]=4 360 B13R1.133 C1=CC(=CC=C1CC(C(=O)O)N)N PI-43383 [0,2,0,0,0,0|0,0,2]=4 361 B13R1.133 C1=CC(=CC=C1CC(C(=O)O)N)N PI-45778 [0,2,0,0,0,0|0,0,2]=4 362 B13R1.133 C1=CC(=CC=C1CC(C(=O)O)N)O PI-42784 [0,2,0,0,0,0|0,0,2]=4 363 B13R1.133 C1=CC(=CC=C1N)NC(=O)C(=O)O PI-30042 [0,2,0,0,0,0|1,0,0]=3 364 B13R1.133 CC(=CC1=CC=C(C=C1)F)C(=O)O PI-36345 [0,2,0,0,0,0|0,0,0]=2 365 B13R1.133 CC1=CC=C(C=C1)CC(C(=O)O)N PI-43207 [0,2,0,0,0,0|0,0,2]=4 366 B13R1.133 CC1=CC=C(C=C1)CC(C(=O)O)N PI-43615 [0,2,0,0,0,0|0,0,2]=4 367 B13R1.133 Clc1ccc(cc1)OC(C)C(=O)O PI-32596 [0,2,0,0,0,0|1,0,1]=4 368 B13R1.133 NC(C(=O)O)Cc1ccc(cc1)Br PI-30137 [0,2,0,0,0,0|0,0,2]=4 369 B13R1.133 NC(C(=O)O)Cc1ccc(cc1)Cl PI-30896 [0,2,0,0,0,0|0,0,2]=4 370 B13R1.133 NC(C(=O)O)Cc1ccc(cc1)I PI-18181 [0,2,0,0,0,0|0,0,2]=4 371 B13R1.133 NC(CC1=CC=C(C=C1)O)C(O)=O PI-25670 [0,2,0,0,0,0|0,0,2]=4 372 B13R1.133 N[C@@H](C(=O)O)Cc1ccc(cc1)F PI-28220 [0,2,0,0,0,0|0,0,2]=4 373 B13R1.133 N[C@H](C(=O)O)Cc1ccc(cc1)N PI-28895 [0,2,0,0,0,0|0,0,2]=4 374 B13R1.133 Oc1ccc(cc1)C[C@H](N)C(=O)O PI-27245 [0,2,0,0,0,0|0,0,2]=4 375 B13R1.133 Oc1ccc(cc1)C[C@H](O)C(=O)O PI-36348 [0,2,0,0,0,0|0,0,2]=4 376 B13R1.133 Oc1ccc(cc1)O[C@H](C)C(=O)O PI-12991 [0,2,0,0,0,0|1,0,1]=4 377 B13R1.164 C1=CC(=C(C=C1Br)Br)OCC(=O)O PI-20985 [0,2,0,0,0,0|1,0,1]=4 378 B13R1.164 C1=CC(=C(C=C1Br)F)C=CC(=O)O PI-28168 [0,2,0,0,0,0|0,0,0]=2 379 B13R1.164 C1=CC(=C(C=C1Cl)Cl)C=CC(=O)O PI-25087 [0,2,0,0,0,0|0,0,0]=2 380 B13R1.164 C1=CC(=C(C=C1Cl)Cl)C=C[N+](=O)[O-] PI-21073 [0,2,0,0,0,0|1,0,1]=4 381 B13R1.164 C1=CC(=C(C=C1Cl)Cl)CCC(=O)O PI-21079 [0,2,0,0,0,0|0,0,2]=4 382 B13R1.164 C1=CC(=C(C=C1F)Br)C=CC(=O)O PI-21447 [0,2,0,0,0,0|0,0,0]=2 383 B13R1.164 C1=CC(=C(C=C1F)Cl)C=CC(=O)O PI-17321 [0,2,0,0,0,0|0,0,0]=2 384 B13R1.164 C1=CC(=C(C=C1F)F)C=CC(=O)O PI-21157 [0,2,0,0,0,0|0,0,0]=2 385 B13R1.164 ClC(=O)\C=C\c1ccc(Br)cc1F PI-21475 [0,2,0,0,0,0|1,0,0]=3 386 B13R1.164 OC(=O)\C=C\c1ccc(Cl)cc1F PI-10439 [0,2,0,0,0,0|0,0,0]=2 387 B13R1.511 C1=CC(=C(C=C1C=CC(=O)O)Br)F PI-21448 [0,2,0,0,0,0|0,0,0]=2 388 B13R1.511 C1=CC(=C(C=C1C=CC(=O)O)Cl)Cl PI-25089 [0,2,0,0,0,0|0,0,0]=2 389 B13R1.511 C1=CC(=C(C=C1C=C[N+](=O)[O-])Cl)Cl PI-21075 [0,2,0,0,0,0|1,0,1]=4 390 B13R1.511 C1=CC(=C(C=C1OCC(=O)O)Cl)Cl PI-50534 [0,2,0,0,0,0|1,0,1]=4 391 B13R1.511 CC1=C(C=C(C=C1)OCC(=O)O)C PI-21974 [0,2,0,0,0,0|1,0,1]=4 392 B13R1.511 ClC(=O)\C=C\c1ccc(F)c(Br)c1 PI-21474 [0,2,0,0,0,0|1,0,0]=3 393 B13R1.511 O=C(O)CCC1=CC=C(O)C(O)=C1 PI-11882 [0,2,0,0,0,0|0,0,2]=4 394 B13R1.511 OC(=O)CCc1ccc(c(c1)F)F PI-21170 [0,2,0,0,0,0|0,0,2]=4 395 B13R1.511 OC(=O)\C=C\c1ccc(F)c(F)c1 PI-21159 [0,2,0,0,0,0|0,0,0]=2 396 B13R1.511 OC(=O)\C=C\c1ccc(c(c1)O)O PI-11525 [0,2,0,0,0,0|0,0,0]=2 397 B13R1.11 COC(=O)CC(=O)C1=CN=CC=C1 PI-24484 [0,2,0,0,0,0|1,0,1]=4 398 B13R1.15 COC(=O)CCc1cccc(O)c1 PI-36322 [0,2,0,0,0,0|0,0,2]=4 399 B13R1.42 CCOC(=O)C#CC1=CC=CC=C1 PI-48955 [0,2,0,0,0,0|0,0,2]=4 400 B13R1.42 CCOC(=O)CCc1ccccc1 PI-13752 [0,2,0,0,0,0|0,0,2]=4 401 B13R1.42 CCOC(=O)CNC1=CC=CC=C1 PI-17945 [0,2,0,0,0,0|1,0,1]=4 402 B13R1.42 CCOC(=O)COC1=CC=CC=C1 PI-50572 [0,2,0,0,0,0|1,0,1]=4 403 B13R1.135 COC(=O)C(=C)CC1=CC=CC=C1 PI-33772 [0,2,0,0,0,0|0,0,1]=3 404 B13R1.135 COC(=O)C(CC1=CC=CC=C1)N PI-18139 [0,2,0,0,0,0|0,0,2]=4 405 B13R1.135 COC(=O)C(CC1=CC=CC=C1)O PI-15702 [0,2,0,0,0,0|0,0,2]=4 406 B13R1.135 COC(=O)[C@H](Cc1ccccc1)N PI-13397 [0,2,0,0,0,0|0,0,2]=4 407 B13R1.148 C1=CC(=CC(=C1)Br)CC(C(=O)O)N PI-43732 [0,2,0,0,0,0|0,0,2]=4 408 B13R1.148 C1=CC(=CC(=C1)Cl)CC(C(=O)O)N PI-43882 [0,2,0,0,0,0|0,0,2]=4 409 B13R1.148 C1=CC(=CC(=C1)Cl)CC(C(=O)O)N PI-43883 [0,2,0,0,0,0|0,0,2]=4 410 B13R1.148 C1=CC(=CC(=C1)F)CC(C(=O)O)N PI-14973 [0,2,0,0,0,0|0,0,2]=4 411 B13R1.148 C1=CC(=CC(=C1)F)CC(C(=O)O)N PI-14974 [0,2,0,0,0,0|0,0,2]=4 412 B13R1.148 C1=CC(=CC(=C1)F)CC(C(=O)O)N PI-30399 [0,2,0,0,0,0|0,0,2]=4 413 B13R1.148 CC1=CC(=CC=C1)CC(C(=O)O)N PI-43208 [0,2,0,0,0,0|0,0,2]=4 414 B13R1.148 CC1=CC(=CC=C1)CC(C(=O)O)N PI-43420 [0,2,0,0,0,0|0,0,2]=4 415 B13R1.148 OC(=O)C(N)Cc1cccc(O)c1 PI-27906 [0,2,0,0,0,0|0,0,2]=4 416 B13R1.152 C1=CC=C(C=C1)C(C(C(=O)O)O)N PI-33678 [0,2,0,0,0,0|0,0,2]=4 417 B13R1.152 CC(C(=O)C)C(=O)C1=CC=CC=C1 PI-44074 [0,2,0,0,0,0|1,0,1]=4 418 B13R1.152 CC(C1=CC=CC=C1)C(C(=O)O)N PI-30943 [0,2,0,0,0,0|0,0,2]=4 419 B13R1.152 C[C@@H]([C@@H](C1=CC=CC=C1)O)C(=O)O PI-48759 [0,2,0,0,0,0|0,0,2]=4 420 B13R1.202 C1=CC=C(C(=C1)CC(C(=O)O)N)Br PI-25400 [0,2,0,0,0,0|0,0,2]=4 421 B13R1.202 C1=CC=C(C(=C1)CC(C(=O)O)N)Br PI-25557 [0,2,0,0,0,0|0,0,2]=4 422 B13R1.202 C1=CC=C(C(=C1)CC(C(=O)O)N)Cl PI-43385 [0,2,0,0,0,0|0,0,2]=4 423 B13R1.202 C1=CC=C(C(=C1)CC(C(=O)O)N)Cl PI-43881 [0,2,0,0,0,0|0,0,2]=4 424 B13R1.202 C1=CC=C(C(=C1)CC(C(=O)O)N)F PI-14971 [0,2,0,0,0,0|0,0,2]=4 425 B13R1.202 C1=CC=C(C(=C1)CC(C(=O)O)N)F PI-14972 [0,2,0,0,0,0|0,0,2]=4 426 B13R1.202 C1=CC=C(C(=C1)CC(C(=O)O)N)F PI-27404 [0,2,0,0,0,0|0,0,2]=4 427 B13R1.202 C1=CC=C(C(=C1)CC(C(=O)O)N)O PI-27375 [0,2,0,0,0,0|0,0,2]=4 428 B13R1.202 CC1=CC=CC=C1CC(C(=O)O)N PI-43884 [0,2,0,0,0,0|0,0,2]=4 429 B13R1.202 OC(=O)[C@@H](Cc1ccccc1C)N PI-39411 [0,2,0,0,0,0|0,0,2]=4 430 B13R1.418 C1=CC(=CN=C1)C=C(C#N)C(=O)O PI-20314 [0,2,0,0,0,0|1,0,0]=3 431 B13R1.418 CCC(C(=O)O)OC1=CC=CC=C1 PI-32600 [0,2,0,0,0,0|1,0,1]=4 432 B13R1.418 CNC(CC1=CC=CC=C1)C(=O)O PI-43815 [0,2,0,0,0,0|0,0,2]=4 433 B13R1.1073 CC(CC1=CC=CC=C1)(C(=O)O)N PI-14932 [0,2,0,0,0,0|0,0,2]=4 434 B13R1.1073 CC(CC1=CC=CC=C1)(C(=O)O)N PI-14933 [0,2,0,0,0,0|0,0,2]=4 435 B13R1.1073 OC(=O)C(Cc1ccccc1)(N)C PI-30075 [0,2,0,0,0,0|0,0,2]=4 436 B13R1.147 C1=CC(=CC(=C1)F)C(CC(=O)O)N PI-15931 [0,2,0,0,0,0|0,0,2]=4 437 B13R1.201 C1=CC=C(C(=C1)C(CC(=O)O)N)F PI-43521 [0,2,0,0,0,0|0,0,2]=4 438 B13R1.201 C1=CC=C(C(=C1)C(CC(=O)O)N)F PI-43522 [0,2,0,0,0,0|0,0,2]=4 439 B13R1.713 C1=CC=C(C=C1)C(CC(=O)O)CN PI-42559 [0,2,0,0,0,0|0,0,2]=4 440 B13R1.713 NCC(CC(=O)O)c1ccccc1 PI-10162 [0,2,0,0,0,0|0,0,2]=4 441 B13R1.713 O=C(O)C[C@@H](C1=CC=CC=C1)CN PI-40198 [0,2,0,0,0,0|0,0,2]=4 442 B13R1.713 O=C(O)C[C@H](C1=CC=CC=C1)CN PI-40199 [0,2,0,0,0,0|0,0,2]=4 443 B13R1.90 C1=CC=C(C(=C1)C=CC(=O)O)C=O PI-12905 [0,2,0,0,0,0|0,0,0]=2 444 B13R1.90 COC1=CC=CC=C1C=CC(=O)O PI-25170 [0,2,0,0,0,0|0,0,0]=2 445 B13R1.90 COC1=CC=CC=C1OCC(=O)O PI-29284 [0,2,0,0,0,0|1,0,1]=4 446 B13R1.90 COc1ccccc1CCC(=O)O PI-25761 [0,2,0,0,0,0|0,0,2]=4 447 B13R1.150 C1=CC(=C(C(=C1)Cl)Cl)OCC(=O)O PI-50535 [0,2,0,0,0,0|1,0,1]=4 448 B13R1.150 C1=CC(=C(C(=C1)F)F)C=CC(=O)O PI-21156 [0,2,0,0,0,0|0,0,0]=2 449 B13R1.150 CC1=C(C(=CC=C1)OCC(=O)O)C PI-23901 [0,2,0,0,0,0|1,0,1]=4 450 B13R1.893 C1=CC(=C(C=C1Br)C=CC(=O)O)F PI-21449 [0,2,0,0,0,0|0,0,0]=2 451 B13R1.893 C1=CC(=C(C=C1F)C=CC(=O)O)Br PI-34467 [0,2,0,0,0,0|0,0,0]=2 452 B13R1.893 C1=CC(=C(C=C1F)C=CC(=O)O)F PI-21158 [0,2,0,0,0,0|0,0,0]=2 453 B13R1.3787 C1=CC(=C(C(=C1)Cl)C=CC(=O)O)Cl PI-25649 [0,2,0,0,0,0|0,0,0]=2 454 B13R1.3787 C1=CC(=C(C(=C1)Cl)C=CC(=O)O)F PI-20086 [0,2,0,0,0,0|0,0,0]=2 455 B13R1.3787 C1=CC(=C(C(=C1)Cl)C=C[N+](=O)[O-])Cl PI-21074 [0,2,0,0,0,0|1,0,1]=4 456 B13R1.3787 C1=CC(=C(C(=C1)Cl)C=C[N+](=O)[O-])F PI-30080 [0,2,0,0,0,0|1,0,1]=4 457 B13R1.3787 C1=CC(=C(C(=C1)F)C=CC(=O)O)F PI-10641 [0,2,0,0,0,0|0,0,0]=2 458 B13R1.3787 CC(=O)C=CC1=C(C=CC=C1Cl)F PI-17047 [0,2,0,0,0,0|1,0,0]=3 459 B13R1.643 COC1=CC(=CC=C1)OCC(=O)O PI-29330 [0,2,0,0,0,0|1,0,1]=4 460 B13R1.643 COc1cccc(c1)\C=C\C(=O)O PI-25013 [0,2,0,0,0,0|0,0,0]=2 461 B13R1.3420 C1=C(C=C(C=C1F)F)C=CC(=O)O PI-34412 [0,2,0,0,0,0|0,0,0]=2 462 B13R1.3420 O=C(O)\C=C\C1=CC(F)=CC(F)=C1 PI-21160 [0,2,0,0,0,0|0,0,0]=2 463 B11R1.53 B(C1=CC=CC=C1C=C)(O)O PI-25181 [0,0,1,1,0,0|1,0,1]=4 464 B11R1.53 C#CC1=CC=CC=C1C(=O)O PI-46516 [0,0,1,1,0,0|0,0,2]=4 465 B11R1.53 C1=CC=C(C(=C1)C#N)C(=O)O PI-10222 [0,0,1,1,0,0|1,0,1]=4 466 B11R1.53 C1=CC=CC(=C1CCl)C(O)=O PI-32625 [0,0,1,1,0,0|1,0,1]=4 467 B11R1.53 CNC1=CC=CC=C1C(=O)O PI-50482 [0,0,1,1,0,0|1,0,1]=4 468 B11R1.53 NNc1ccccc1C(=O)O PI-18621 [0,0,1,1,0,0|2,0,0]=4 469 B11R1.53 O=Cc1ccccc1C(=O)O PI-36784 [0,0,1,1,0,0|1,0,0]=3 470 B11R1.266 B(C1=CC(=CC=C1)C=C)(O)O PI-25182 [0,0,1,1,0,0|1,0,1]=4 471 B11R1.266 C1=CC(=CC(=C1)C(=O)O)C#N PI-16124 [0,0,1,1,0,0|1,0,1]=4 472 B11R1.266 C1=CC(=CC(=C1)C(=O)O)CCl PI-27471 [0,0,1,1,0,0|1,0,1]=4 473 B11R1.266 C1=CC(=CC(=C1)C(=O)O)CN PI-30963 [0,0,1,1,0,0|1,0,1]=4 474 B11R1.266 C1=CC(=CC(=C1)C(=O)O)CN PI-33743 [0,0,1,1,0,0|1,0,1]=4 475 B11R1.266 C=CC1=CC(=CC=C1)[N+](=O)[O-] PI-46939 [0,0,1,1,0,0|1,0,1]=4 476 B11R1.266 COC1=CC=CC(=C1)C(=O)O PI-33400 [0,0,1,1,0,0|1,0,1]=4 477 B11R1.266 O=Cc1cccc(c1)C(=O)O PI-31248 [0,0,1,1,0,0|1,0,0]=3 478 B11R1.266 OCC1=CC=CC(=C1)C(O)=O PI-42488 [0,0,1,1,0,0|1,0,1]=4 479 B11R1.167 Brc1ccc(I)c(c1)C(=O)O PI-21527 [0,0,1,1,0,0|2,0,0]=4 480 B11R1.167 Brc1ccc(c(c1)C(=O)O)Br PI-27786 [0,0,1,1,0,0|2,0,0]=4 481 B11R1.167 Brc1ccc(c(c1)C(=O)O)Cl PI-28277 [0,0,1,1,0,0|2,0,0]=4 482 B11R1.167 Brc1ccc(c(c1)C(=O)O)F PI-16059 [0,0,1,1,0,0|2,0,0]=4 483 B11R1.167 C1=CC(=C(C=C1Br)C(=O)O)N PI-16097 [0,0,1,1,0,0|2,0,0]=4 484 B11R1.167 C1=CC(=C(C=C1Br)C(=O)O)S PI-44100 [0,0,1,1,0,0|2,0,0]=4 485 B11R1.167 C1=CC(=C(C=C1Cl)C(=O)O)Br PI-20611 [0,0,1,1,0,0|2,0,0]=4 486 B11R1.167 C1=CC(=C(C=C1Cl)C(=O)O)Cl PI-16113 [0,0,1,1,0,0|2,0,0]=4 487 B11R1.167 C1=CC(=C(C=C1Cl)C(=O)O)F PI-28487 [0,0,1,1,0,0|2,0,0]=4 488 B11R1.167 C1=CC(=C(C=C1Cl)C(=O)O)O PI-33939 [0,0,1,1,0,0|2,0,0]=4 489 B11R1.167 C1=CC(=C(C=C1F)C(=O)O)Br PI-16102 [0,0,1,1,0,0|2,0,0]=4 490 B11R1.167 C1=CC(=C(C=C1F)C(=O)O)O PI-28413 [0,0,1,1,0,0|2,0,0]=4 491 B11R1.167 C1=CC(=C(C=C1I)C(=O)O)Cl PI-44655 [0,0,1,1,0,0|2,0,0]=4 492 B11R1.167 C1=CC(=C(C=C1I)C(=O)O)F PI-18130 [0,0,1,1,0,0|2,0,0]=4 493 B11R1.167 C1=CC(=C(C=C1N)C(=O)O)F PI-16066 [0,0,1,1,0,0|2,0,0]=4 494 B11R1.167 C1=CC(=C(C=C1N)C(=O)O)O PI-33946 [0,0,1,1,0,0|2,0,0]=4 495 B11R1.167 CC1=C(C=C(C=C1)Br)C(=O)O PI-31513 [0,0,1,1,0,0|1,0,1]=4 496 B11R1.167 CC1=C(C=C(C=C1)I)C(=O)O PI-35497 [0,0,1,1,0,0|1,0,1]=4 497 B11R1.167 CC1=CC(=C(C=C1)Br)C(=O)O PI-22124 [0,0,1,1,0,0|1,0,1]=4 498 B11R1.167 CC1=CC(=C(C=C1)C)C(=O)O PI-16116 [0,0,1,1,0,0|0,0,2]=4 499 B11R1.167 CC1=CC(=C(C=C1)Cl)C(=O)O PI-44945 [0,0,1,1,0,0|1,0,1]=4 500 B11R1.167 CC1=CC(=C(C=C1)F)C(=O)O PI-10194 [0,0,1,1,0,0|1,0,1]=4 501 B11R1.167 CC1=CC(=C(C=C1)I)C(=O)O PI-44708 [0,0,1,1,0,0|1,0,1]=4 502 B11R1.167 CC1=CC(=C(C=C1)O)C(=O)O PI-12037 [0,0,1,1,0,0|1,0,1]=4 503 B11R1.167 Cc1ccc(c(c1)C(=O)O)I PI-44956 [0,0,1,1,0,0|1,0,1]=4 504 B11R1.167 Cc1ccc(c(c1)C(=O)O)N PI-11791 [0,0,1,1,0,0|1,0,1]=4 505 B11R1.167 Fc1ccc(F)c(c1)C(=O)O PI-16919 [0,0,1,1,0,0|2,0,0]=4 506 B11R1.167 Fc1ccc(I)c(c1)C(=O)O PI-34282 [0,0,1,1,0,0|2,0,0]=4 507 B11R1.167 Fc1ccc(c(c1)C(=O)O)C PI-16069 [0,0,1,1,0,0|1,0,1]=4 508 B11R1.167 Fc1ccc(c(c1)C(=O)O)N PI-16065 [0,0,1,1,0,0|2,0,0]=4 509 B11R1.167 Ic1ccc(N)c(c1)C(=O)O PI-16099 [0,0,1,1,0,0|2,0,0]=4 510 B11R1.167 Ic1ccc(c(c1)C(=O)O)Br PI-21526 [0,0,1,1,0,0|2,0,0]=4 511 B11R1.167 NC1=CC(C(O)=O)=C(N)C=C1 PI-31741 [0,0,1,1,0,0|2,0,0]=4 512 B11R1.167 Nc1ccc(O)cc1C(O)=O PI-10210 [0,0,1,1,0,0|2,0,0]=4 513 B11R1.167 Nc1ccc(c(c1)C(=O)O)Br PI-33365 [0,0,1,1,0,0|2,0,0]=4 514 B11R1.167 Nc1ccc(c(c1)C(=O)O)Cl PI-27966 [0,0,1,1,0,0|2,0,0]=4 515 B11R1.167 O=C(O)C1=CC(F)=CC=C1Cl PI-16104 [0,0,1,1,0,0|2,0,0]=4 516 B11R1.167 Oc1ccc(c(c1)C(=O)O)F PI-23587 [0,0,1,1,0,0|2,0,0]=4 517 B11R1.167 Oc1ccc(c(c1)C(=O)O)O PI-12845 [0,0,1,1,0,0|2,0,0]=4 518 B11R2.1 C1=CC=C2C(=C1)C(=CN2)Br PI-34828 [1,0,0,1,0,0|2,0,0]=4 519 B11R2.1 C1=CC=C2C(=C1)C(=CO2)Br PI-17445 [1,0,0,1,0,0|2,0,0]=4 520 B11R2.1 C1=CC=C2C(=C1)C(=CS2)Br PI-14249 [1,0,0,1,0,0|2,0,0]=4 521 B11R2.1 C1=CC=C2C(=C1)C(=CS2)O PI-14308 [1,0,0,1,0,0|1,0,0]=3 522 B11R2.1 C1=CC=C2C(=C1)C(=O)NS2 PI-11536 [1,0,0,1,0,0|2,0,0]=4 523 B11R2.1 C1=CC=C2C(=C1)C=CS2=O PI-14312 [1,0,0,1,0,0|1,0,0]=3 524 B11R2.1 C1C(=O)C2=CC=CC=C2O1 PI-27871 [1,0,0,1,0,0|1,0,1]=4 525 B11R2.1 C1C(=O)C2=CC=CC=C2O1 PI-33947 [1,0,0,1,0,0|1,0,1]=4 526 B11R2.1 C1CC(=O)C2=CC=CC=C21 PI-12356 [1,0,0,1,0,0|0,0,2]=4 527 B11R2.1 CC1=CSC2=CC=CC=C12 PI-26140 [1,0,0,1,0,0|2,0,0]=4 528 B11R2.1 Cc1c[nH]c2c1cccc2 PI-10761 [1,0,0,1,0,0|2,0,0]=4 529 B11R2.1 Cn1ccc2ccccc12 PI-11080 [1,0,0,1,0,0|2,0,0]=4 530 B11R2.1 O=C1C2=CC=CC=C2SC1 PI-42644 [1,0,0,1,0,0|1,0,1]=4 531 B11R2.1 O=C1OCc2c1cccc2 PI-33738 [1,0,0,1,0,0|1,0,1]=4 532 B11R2.1 O=C1SSC2=CC=CC=C12 PI-41753 [1,0,0,1,0,0|2,0,0]=4 533 B11R2.20 C12=CC=CN=C1C=CC=C2 PI-47013 [1,0,0,1,0,0|1,0,0]=3 534 B11R2.20 C1=CC2=C(C=CN=C2)N=C1 PI-13294 [1,0,0,1,0,0|2,0,0]=4 535 B11R2.20 C1=CC2=C(N=C1)N=CC=C2 PI-18404 [1,0,0,1,0,0|2,0,0]=4 536 B11R2.20 C1=CC=C2C(=C1)C=CC=N2 PI-29663 [1,0,0,1,0,0|1,0,0]=3 537 B11R2.20 C1=Cc2c(CC1)cccc2 PI-25582 [1,0,0,1,0,0|1,0,1]=4 538 B11R2.20 c1cnc2c(c1)nccc2 PI-18405 [1,0,0,1,0,0|2,0,0]=4 539 B11R2.10 C1=CC2=C(NC(=O)O2)N=C1 PI-13499 [0,0,0,1,1,0|2,0,0]=4 540 B11R2.10 C1=CC=C2C(=C1)C=C(O2)Br PI-45424 [0,0,0,1,1,0|1,0,0]=3 541 B11R2.10 C1=CC=C2C(=C1)C=C(S2)Br PI-40410 [0,0,0,1,1,0|1,1,0]=4 542 B11R2.10 C1=CC=C2C(=C1)NC(=S)O2 PI-32430 [0,0,0,1,1,0|1,1,0]=4 543 B11R2.10 C1C(=O)CC2=CC=CC=C21 PI-11611 [0,0,0,1,1,0|1,0,1]=4 544 B11R2.10 C1C2=CC=CC=C2C=C1Br PI-24035 [0,0,0,1,1,0|2,0,0]=4 545 B11R2.10 CC1=CC2=CC=CC=C2C1 PI-30321 [0,0,0,1,1,0|2,0,0]=4 546 B11R2.10 CC1=CC2=CC=CC=C2N1 PI-31662 [0,0,0,1,1,0|2,0,0]=4 547 B11R2.10 CC1=CC2=CC=CC=C2S1 PI-29081 [0,0,0,1,1,0|1,1,0]=4 548 B11R2.10 CC1=NC2=CC=CC=C2O1 PI-11866 [0,0,0,1,1,0|2,0,0]=4 549 B11R2.10 Clc1nc2ccccc2o1 PI-33937 [0,0,0,1,1,0|2,0,0]=4 550 B11R2.10 Ic1cc2c(s1)cccc2 PI-38228 [0,0,0,1,1,0|1,1,0]=4 551 B11R2.10 Nc1nc2ccccc2o1 PI-17283 [0,0,0,1,1,0|2,0,0]=4 552 B11R2.10 O=C1Cc2c(N1)cccc2 PI-11084 [0,0,0,1,1,0|1,0,1]=4 553 B11R2.10 O=C1Cc2ccccc2O1 PI-18682 [0,0,0,1,1,0|0,0,1]=3 554 B11R2.10 O=c1oc2ccccc2[nH]1 PI-11480 [0,0,0,1,1,0|1,0,0]=3 555 B11R2.10 O=c1sc2ccccc2[nH]1 PI-12052 [0,0,0,1,1,0|1,1,0]=4 556 B11R2.10 Oc1nc2ccccc2[nH]1 PI-16421 [0,0,0,1,1,0|2,0,0]=4 557 B11R2.36 Oc1ccc2[nH]ccc2c1 PI-10314 [0,0,0,1,1,0|2,0,0]=4 558 B11R2.36 Oc1ccc2cc[nH]c2c1 PI-16028 [0,0,0,1,1,0|2,0,0]=4 559 B13R2.10 BrC1=NN=C(C2=CC=CC=C2)O1 PI-46745 [0,0,0,1,0,1|2,0,0]=4 560 B13R2.10 Brc1ccc(s1)c2ccccc2 PI-29441 [0,0,0,1,0,1|1,1,0]=4 561 B13R2.10 C1=CC=C(C=C1)C2=CN=C(S2)N PI-35836 [0,0,0,1,0,1|1,1,0]=4 562 B13R2.10 C1=CC=C(C=C1)C2=CSC(=N2)Br PI-40541 [0,0,0,1,0,1|2,0,0]=4 563 B13R2.10 C1=CC=C(C=C1)C2=CSC(=O)N2 PI-20850 [0,0,0,1,0,1|1,0,0]=3 564 B13R2.10 C1=CC=C(C=C1)N2C=NC(=O)N2 PI-11706 [0,0,0,1,0,1|2,0,0]=4 565 B13R2.10 Cc1ccn(n1)c2ccccc2 PI-13607 [0,0,0,1,0,1|2,0,0]=4 566 B13R2.10 O=C1CCC(O1)c2ccccc2 PI-18042 [0,0,0,1,0,1|0,0,2]=4 567 B13R2.72 B(C1=CNC2=CC=CC=C12)(O)O PI-31599 [0,0,0,1,0,1|1,0,1]=4 568 B13R2.72 B(C1=COC2=CC=CC=C12)(O)O PI-43956 [0,0,0,1,0,1|1,0,1]=4 569 B13R2.72 C1=CC=C2C(=C1)C(=CS2)C(=N)N PI-29613 [0,0,0,1,0,1|2,0,0]=4 570 B13R2.72 C1=CC=C2C(=C1)C(=CS2)C(=O)Cl PI-14168 [0,0,0,1,0,1|1,0,0]=3 571 B13R2.72 C1=CC=C2C(=C1)C(=CS2)C(=O)O PI-14248 [0,0,0,1,0,1|0,0,0]=2 572 B13R2.72 C1C(C2=CC=CC=C2N1)C(=O)O PI-10081 [0,0,0,1,0,1|0,0,2]=4 573 B13R2.72 CC(=O)C1=CSC2=CC=CC=C21 PI-26355 [0,0,0,1,0,1|1,0,0]=3 574 B13R2.72 CC(=O)c1c[nH]c2c1cccc2 PI-10234 [0,0,0,1,0,1|1,0,0]=3 575 B13R2.72 CC(=O)c1csc2c1cccc2 PI-32064 [0,0,0,1,0,1|1,0,0]=3 576 B13R2.72 CC(=O)n1ccc2ccccc12 PI-11075 [0,0,0,1,0,1|1,0,0]=3 577 B13R2.72 CC(C1=NNC2=C1C=CC=C2)=O PI-46811 [0,0,0,1,0,1|2,0,0]=4 578 B13R2.72 OB(c1csc2c1cccc2)O PI-25056 [0,0,0,1,0,1|1,0,1]=4 579 B13R2.72 OC(=O)c1c[nH]c2c1cccc2 PI-22764 [0,0,0,1,0,1|0,0,0]=2 580 B13R2.72 OC(=O)c1cnc2n1cccc2 PI-39083 [0,0,0,1,0,1|1,0,0]=3 581 B13R2.72 OC(=O)c1cnn2c1cccc2 PI-34815 [0,0,0,1,0,1|1,0,0]=3 582 B13R2.72 OC(=O)c1n[nH]c2c1cccc2 PI-10443 [0,0,0,1,0,1|1,0,0]=3 583 B13R2.423 OC(=O)[C@@H]1C[C@H]1c2ccccc2 PI-17993 [0,0,0,1,0,1|0,0,2]=4 584 B13R2.155 BrC1=CC2=CC(=CC=C2C=C1)Br PI-40219 [0,1,0,1,0,0|2,0,0]=4 585 B13R2.155 C1=CC(=CC2=C1C=CC(=C2)Br)O PI-39114 [0,1,0,1,0,0|1,0,0]=3 586 B13R2.155 C1=CC(=CC2=C1C=CC(=C2)O)O PI-32100 [0,1,0,1,0,0|1,0,0]=3 587 B13R2.155 C1=CC(=CC2=C1C=CC(=N2)Cl)Br PI-48167 [0,1,0,1,0,0|2,0,0]=4 588 B13R2.155 C1=CC(=CC2=C1C=CC(=O)O2)O PI-10445 [0,1,0,1,0,0|0,0,0]=2 589 B13R2.155 C1=CC2=NC=C(C=C2C=C1Br)O PI-45733 [0,1,0,1,0,0|2,0,0]=4 590 B13R2.155 CC1=CC2=C(C=C1)C=CC(=N2)C PI-29979 [0,1,0,1,0,0|2,0,0]=4 591 B13R2.155 CC1=NC2=CC(F)=CC=C2C=C1 PI-28060 [0,1,0,1,0,0|2,0,0]=4 592 B13R2.155 Cc1ccc2c(c1)cc(cc2)C PI-23889 [0,1,0,1,0,0|2,0,0]=4 593 B13R2.155 Oc1ccc2ccc(O)nc2c1 PI-13540 [0,1,0,1,0,0|1,0,0]=3 594 B13R2.155 SC1=CC=C2C=CC(S)=CC2=C1 PI-18854 [0,1,0,1,0,0|1,1,0]=4 595 B13R2.3791 C1=CC(=CC2=C1C=CS2(=O)=O)N PI-29312 [0,1,0,1,0,0|1,0,1]=4 596 B13R2.32 Brc1ccc2c(c1O)cccc2 PI-39182 [0,1,0,1,0,0|1,0,0]=3 597 B13R2.32 C1=CC(=O)C(=C2C1=CNC=C2)Cl PI-44811 [0,1,0,1,0,0|2,0,0]=4 598 B13R2.32 C1=CC2=C(C=CC(=C2Cl)O)N=C1 PI-44806 [0,1,0,1,0,0|2,0,0]=4 599 B13R2.32 C1=CC=C2C(=C1)C(=C(C=N2)O)Cl PI-44804 [0,1,0,1,0,0|2,0,0]=4 600 B13R2.32 C1=CC=C2C(=C1)C=CC(=C2N)O PI-18432 [0,1,0,1,0,0|1,0,0]=3 601 B13R2.32 C1=CC=C2C(=C1)C=CC(=C2N)O PI-25084 [0,1,0,1,0,0|1,0,0]=3 602 B13R2.32 C1=CC=C2C(=C1)C=CC(=C2O)F PI-18694 [0,1,0,1,0,0|1,0,0]=3 603 B13R2.32 C1=CC=C2C(=C1)C=CC(=C2O)N PI-18543 [0,1,0,1,0,0|1,0,0]=3 604 B13R2.32 C1=CC=C2C(=C1)C=CC(=C2O)O PI-25690 [0,1,0,1,0,0|0,0,1]=3 605 B13R2.32 C1=CC=C2C(=C1)C=CC(=O)C2=O PI-25638 [0,1,0,1,0,0|0,0,1]=3 606 B13R2.32 C1=CC=C2C(=C1)C=NC(=C2O)Cl PI-44810 [0,1,0,1,0,0|2,0,0]=4 607 B13R2.32 C1=CC=C2C(=C1)C=NC(=C2O)Cl PI-44835 [0,1,0,1,0,0|2,0,0]=4 608 B13R2.32 C1=CNC2=C(C(=O)C=CC2=C1)Cl PI-44809 [0,1,0,1,0,0|2,0,0]=4 609 B13R2.32 C1=CNC2=CC=C(C(=O)C2=C1)Cl PI-44805 [0,1,0,1,0,0|2,0,0]=4 610 B13R2.32 CC1=C(C2=CC=CC=C2C=C1)Br PI-11689 [0,1,0,1,0,0|2,0,0]=4 611 B13R2.32 CC1=C(C2=CC=CC=C2C=C1)O PI-18875 [0,1,0,1,0,0|1,0,0]=3 612 B13R2.32 CC1=[N+](C2=CC=CC=C2C=C1)[O-] PI-42564 [0,1,0,1,0,0|1,0,1]=4 613 B13R2.32 Cc1ccc2ccccc2c1C PI-25689 [0,1,0,1,0,0|2,0,0]=4 614 B13R2.32 Cc1ccc2ccccc2c1N PI-18358 [0,1,0,1,0,0|2,0,0]=4 615 B13R2.32 OC1=C(Br)C=CC2=C1C=CC=C2 PI-39181 [0,1,0,1,0,0|1,0,0]=3 616 B13R2.32 Oc1ccc2c(c1Br)cccc2 PI-25688 [0,1,0,1,0,0|1,0,0]=3 617 B13R2.57 BrCc1ccc2ccccc2c1 PI-11811 [0,1,0,1,0,0|2,0,0]=4 618 B13R2.57 BrCc1ccc2ccccc2n1 PI-36507 [0,1,0,1,0,0|2,0,0]=4 619 B13R2.57 C1=C(C=CC2=NC=CC=C12)CO PI-31801 [0,1,0,1,0,0|2,0,0]=4 620 B13R2.57 C1=CC=C2C(=C1)C=C(C=N2)C=O PI-29125 [0,1,0,1,0,0|2,0,0]=4 621 B13R2.57 C1=CC=C2C(=C1)C=CC(=N2)CO PI-29257 [0,1,0,1,0,0|1,0,0]=3 622 B13R2.57 C1=CC=C2C=C(C=CC2=C1)C#N PI-18756 [0,1,0,1,0,0|2,0,0]=4 623 B13R2.57 C1=CC=C2C=C(C=CC2=C1)NN PI-33898 [0,1,0,1,0,0|2,0,0]=4 624 B13R2.57 C=CC1=CC2=CC=CC=C2C=C1 PI-25858 [0,1,0,1,0,0|2,0,0]=4 625 B13R2.57 CCC1=CC2=CC=CC=C2C=C1 PI-25977 [0,1,0,1,0,0|2,0,0]=4 626 B13R2.57 COC1=CC2=C(C=C1)C=NC=C2 PI-34185 [0,1,0,1,0,0|2,0,0]=4 627 B13R2.57 COc1ccc2ncccc2c1 PI-31218 [0,1,0,1,0,0|2,0,0]=4 628 B13R2.57 CSC1=CC2=CC=CC=C2C=C1 PI-18873 [0,1,0,1,0,0|1,1,0]=4 629 B13R2.57 ClCc1ccc2c(c1)cccc2 PI-18399 [0,1,0,1,0,0|2,0,0]=4 630 B13R2.57 NNc1ccc2ccccc2n1 PI-20725 [0,1,0,1,0,0|2,0,0]=4 631 B13R2.57 O=Cc1ccc2c(c1)cccc2 PI-11868 [0,1,0,1,0,0|1,0,0]=3 632 B13R2.57 O=Cc1ccc2c(n1)cccc2 PI-11880 [0,1,0,1,0,0|1,0,0]=3 633 B13R2.57 O=Cc1ccc2ncccc2c1 PI-32941 [0,1,0,1,0,0|2,0,0]=4 634 B13R2.57 OCc1ccc2ccccc2c1 PI-11869 [0,1,0,1,0,0|1,0,0]=3 635 B13R2.57 [C-]#[N+]C1=CC=C2C=CC=CC2=C1 PI-36483 [0,1,0,1,0,0|2,0,0]=4 636 B13R2.15272 O=C(C1C2=CC=CC=C2C1)OC PI-40939 [0,1,0,1,0,0|0,0,2]=4 637 B13R2.369 C1=CC=C2C(=C1)C=C(C(=N2)Br)Br PI-50065 [0,1,0,1,0,0|2,0,0]=4 638 B13R2.369 C1=CC=C2C=C(C(=CC2=C1)Br)Br PI-18146 [0,1,0,1,0,0|2,0,0]=4 639 B13R2.369 C1=CC=C2C=C(C(=CC2=C1)N)O PI-25656 [0,1,0,1,0,0|1,0,0]=3 640 B13R2.369 CC1=CC2=CC=CC=C2N=C1Cl PI-29715 [0,1,0,1,0,0|2,0,0]=4 641 B13R2.369 Cc1cc2ccccc2cc1C PI-25704 [0,1,0,1,0,0|2,0,0]=4 642 B13R2.369 NC1=C(C)N=C2C=CC=CC2=C1 PI-46688 [0,1,0,1,0,0|2,0,0]=4 643 B13R2.369 Nc1cc2ccccc2cc1N PI-25833 [0,1,0,1,0,0|2,0,0]=4 644 B13R2.369 O=c1oc2ccccc2cc1N PI-17434 [0,1,0,1,0,0|0,0,0]=2 645 B13R2.369 Oc1cc2ccccc2cc1O PI-32469 [0,1,0,1,0,0|1,0,0]=3 646 B13R2.435 B(C1=CC2=CC=CC=C2O1)(O)O PI-14157 [0,1,0,1,0,0|1,0,1]=4 647 B13R2.435 C1=C2C(=CC=C1)[NH]C(=N2)C(=O)O PI-35441 [0,1,0,1,0,0|1,0,0]=3 648 B13R2.435 C1=CC=C2C(=C1)C=C(N2)C(=O)O PI-22728 [0,1,0,1,0,0|0,0,0]=2 649 B13R2.435 C1=CC=C2C(=C1)C=C(O2)C(=O)Cl PI-14800 [0,1,0,1,0,0|1,0,0]=3 650 B13R2.435 C1=CC=C2C(=C1)C=C(O2)C(=O)O PI-30651 [0,1,0,1,0,0|0,0,0]=2 651 B13R2.435 C1=CC=C2C(=C1)C=C(S2)C(=O)N PI-26819 [0,1,0,1,0,0|1,0,0]=3 652 B13R2.435 C1=CC=C2C(=C1)C=C(S2)C(=O)O PI-14824 [0,1,0,1,0,0|0,0,0]=2 653 B13R2.435 C1=CC=C2C(=C1)N=C(O2)C(=O)[O-] PI-48150 [0,1,0,1,0,0|1,0,1]=4 654 B13R2.435 C1C(NC2=CC=CC=C21)C(=O)O PI-12890 [0,1,0,1,0,0|0,0,2]=4 655 B13R2.435 C1C(NC2=CC=CC=C21)C(=O)O PI-22729 [0,1,0,1,0,0|0,0,2]=4 656 B13R2.435 C1C(OC2=CC=CC=C21)C(=O)O PI-19265 [0,1,0,1,0,0|0,0,2]=4 657 B13R2.435 CC(=O)C1=CC2=CC=CC=C2S1 PI-18361 [0,1,0,1,0,0|1,0,0]=3 658 B13R2.435 CC(=O)C1=NC2=CC=CC=C2N1 PI-11776 [0,1,0,1,0,0|2,0,0]=4 659 B13R2.435 CC(=O)c1cc2c(o1)cccc2 PI-29182 [0,1,0,1,0,0|1,0,0]=3 660 B13R2.435 O=C(C=1NC2=C(C1)C=CC=C2)C PI-46721 [0,1,0,1,0,0|1,0,0]=3 661 B13R2.435 O=C(Cl)C1=CC2=CC=CC=C2S1 PI-26615 [0,1,0,1,0,0|1,0,0]=3 662 B13R2.435 OB(c1cc2c(s1)cccc2)O PI-25991 [0,1,0,1,0,0|1,0,1]=4 663 B13R2.435 OC(=O)[C@@H]1Cc2c(N1)cccc2 PI-10816 [0,1,0,1,0,0|0,0,2]=4 664 B13R2.328 C1=CC=C2C(=C1)C(=CC(=N2)Cl)Cl PI-29861 [0,1,0,1,0,0|2,0,0]=4 665 B13R2.328 C1=CC=C2C(=C1)C(=CC(=O)N2)[O-] PI-29605 [0,1,0,1,0,0|1,0,0]=3 666 B13R2.328 C1=CC=C2C(=C1)C(=O)C=C(N2)N PI-29594 [0,1,0,1,0,0|2,0,0]=4 667 B13R2.328 C1C2=CC=CC=C2C(=O)NC1=O PI-40295 [0,1,0,1,0,0|2,0,0]=4 668 B13R2.328 CC1=CC(=NC2=CC=CC=C12)C PI-11755 [0,1,0,1,0,0|2,0,0]=4 669 B13R2.328 CC1=CC(=NC2=CC=CC=C12)Cl PI-10849 [0,1,0,1,0,0|2,0,0]=4 670 B13R2.328 Cc1cc(N)c2ccccc2n1 PI-17561 [0,1,0,1,0,0|2,0,0]=4 671 B13R2.328 Cc1cc(O)c2c(n1)cccc2 PI-29750 [0,1,0,1,0,0|2,0,0]=4 672 B13R2.328 Cc1cc2ccccc2c(c1)C PI-25697 [0,1,0,1,0,0|2,0,0]=4 673 B13R2.328 O=C1OC(=O)c2c(C1)cccc2 PI-16185 [0,1,0,1,0,0|2,0,0]=4 674 B13R2.328 O=c1cc(O)c2ccccc2o1 PI-31737 [0,1,0,1,0,0|0,0,0]=2 675 B13R2.328 Oc1cc(C)c2c(n1)cccc2 PI-10848 [0,1,0,1,0,0|1,0,0]=3 676 B13R2.328 Oc1cc(O)c2c(n1)cccc2 PI-16408 [0,1,0,1,0,0|1,0,0]=3 677 B13R2.328 Oc1cc2ccccc2c(c1)O PI-25115 [0,1,0,1,0,0|1,0,0]=3 678 B13R2.5179 C1=CC2=C(C=CC(=C2)O)C(=C1)O PI-32101 [0,1,0,1,0,0|1,0,0]=3 679 B13R2.5179 CC1=CC2=CC=CC(=C2C=C1)C PI-25698 [0,1,0,1,0,0|2,0,0]=4 680 B13R2.5179 CC1=CC=C2C(N)=CC=CC2=N1 PI-37296 [0,1,0,1,0,0|2,0,0]=4 681 B13R2.5179 CC1=NC2=C(C=C1)C(=CC=C2)Cl PI-33672 [0,1,0,1,0,0|2,0,0]=4 682 B13R2.5179 Nc1ccc2c(O)cccc2c1 PI-18377 [0,1,0,1,0,0|2,0,0]=4 683 B13R2.5179 Oc1ccc2c(c1)cccc2N PI-18951 [0,1,0,1,0,0|1,0,0]=3 684 B13R2.162 C1=C2C(=NC(=C1)C)C(=CC=C2)O PI-33671 [0,1,0,1,0,0|2,0,0]=4 685 B13R2.162 C1=CC2=C(C(=C1)O)N=C(C=C2)N PI-24571 [0,1,0,1,0,0|2,0,0]=4 686 B13R2.162 C1=CC2=C(C(=C1)O)NC(=O)C=C2 PI-28179 [0,1,0,1,0,0|1,0,0]=3 687 B13R2.162 C1=CC2=C(C=C(C=C2)O)C(=C1)Br PI-45478 [0,1,0,1,0,0|1,0,0]=3 688 B13R2.162 C1=CC2=C(C=C(C=C2)O)C(=C1)O PI-11684 [0,1,0,1,0,0|1,0,0]=3 689 B13R2.162 C1=CC2=CC=CC(=C2N=C1C)N PI-29287 [0,1,0,1,0,0|2,0,0]=4 690 B13R2.162 CC1=C2C(=CC=C1)C=CC(=N2)C PI-11772 [0,1,0,1,0,0|2,0,0]=4 691 B13R2.162 CC1=C2C=C(C=CC2=CC=C1)O PI-49019 [0,1,0,1,0,0|1,0,0]=3 692 B13R2.162 CC1=CC2=C(C=CC=C2C=C1)C PI-18703 [0,1,0,1,0,0|2,0,0]=4 693 B13R2.162 CC1=NC2=C(C=CC=C2Cl)C=C1 PI-16458 [0,1,0,1,0,0|2,0,0]=4 694 B13R2.162 Cc1ccc2cccc(Br)c2n1 PI-36505 [0,1,0,1,0,0|2,0,0]=4 695 B13R2.162 OC1=CC=C2C=CC=C(N)C2=C1 PI-25075 [0,1,0,1,0,0|1,0,0]=3 696 B13R2.3683 BrC1=CC2=CC=C(Br)C=C2C=C1 PI-37059 [0,1,0,1,0,0|2,0,0]=4 697 B13R2.3683 C1=CC2=C(C=CC(=C2)Cl)C=C1O PI-36575 [0,1,0,1,0,0|1,0,0]=3 698 B13R2.3683 C1=CC2=C(C=CC(=N2)Cl)C=C1Br PI-25270 [0,1,0,1,0,0|2,0,0]=4 699 B13R2.3683 C1=CC2=C(C=CC(=O)N2)C=C1Br PI-35473 [0,1,0,1,0,0|1,0,0]=3 700 B13R2.3683 CC1=CC2=C(C=C1)N=C(C=C2)Br PI-35456 [0,1,0,1,0,0|2,0,0]=4 701 B13R2.3683 CC1=NC2=C(C=C1)C=C(C=C2)Cl PI-29974 [0,1,0,1,0,0|2,0,0]=4 702 B13R2.3683 CC1=NC2=C(C=C1)C=C(C=C2)N PI-30830 [0,1,0,1,0,0|2,0,0]=4 703 B13R2.3683 CC1=NC2=C(C=C1)C=C(C=C2)O PI-29761 [0,1,0,1,0,0|2,0,0]=4 704 B13R2.3683 Cc1ccc2c(c1)ccc(=O)o2 PI-36976 [0,1,0,1,0,0|0,0,0]=2 705 B13R2.3683 Cc1ccc2cc(Br)ccc2n1 PI-14483 [0,1,0,1,0,0|2,0,0]=4 706 B13R2.3683 Cc1ccc2nc(C)ccc2c1 PI-11770 [0,1,0,1,0,0|2,0,0]=4 707 B13R2.3683 Clc1ccc2c(c1)ccc(c2)Cl PI-16536 [0,1,0,1,0,0|2,0,0]=4 708 B13R2.3683 Fc1ccc2nc(C)ccc2c1 PI-28059 [0,1,0,1,0,0|2,0,0]=4 709 B13R2.3683 Oc1ccc2c(c1)ccc(=O)o2 PI-10446 [0,1,0,1,0,0|0,0,0]=2 710 B13R2.3683 Oc1ccc2c(c1)ccc(n2)Cl PI-39000 [0,1,0,1,0,0|2,0,0]=4 711 B13R2.3683 Oc1ccc2c(c1)ccc(n2)O PI-38999 [0,1,0,1,0,0|1,0,0]=3 712 B13R2.3683 Oc1ccc2cc(Br)ccc2c1 PI-12042 [0,1,0,1,0,0|1,0,0]=3 713 B13R2.3683 Oc1ccc2cc(O)ccc2c1 PI-10866 [0,1,0,1,0,0|1,0,0]=3 714 B9R1.6 C1=C(C=NC=N1)C(=O)O PI-21348 [0,0,0,0,2,0|2,0,0]=4 715 B9R1.6 C1=CC(=CN=C1)C(=O)Cl PI-18307 [0,0,0,0,2,0|2,0,0]=4 716 B9R1.6 C1=CC(=CN=C1)C(=O)N PI-14591 [0,0,0,0,2,0|2,0,0]=4 717 B9R1.6 C1=CC=C(C=C1)C(=O)Br PI-46923 [0,0,0,0,2,0|1,0,0]=3 718 B9R1.6 C1=CC=NC(=C1)C(=O)Cl PI-36884 [0,0,0,0,2,0|2,0,0]=4 719 B9R1.6 C1=CC=NC(=C1)C(=O)O PI-44932 [0,0,0,0,2,0|1,0,0]=3 720 B9R1.6 C1=CN=CC=C1C(=O)Cl PI-29544 [0,0,0,0,2,0|2,0,0]=4 721 B9R1.6 C1=CN=CC=C1C(=O)N PI-46036 [0,0,0,0,2,0|2,0,0]=4 722 B9R1.6 C1=CN=NC=C1C(=O)O PI-32630 [0,0,0,0,2,0|2,0,0]=4 723 B9R1.6 C1=NC=CN=C1C(O)=O PI-14238 [0,0,0,0,2,0|2,0,0]=4 724 B9R1.6 CC(=O)C1=CC=CC=N1 PI-48516 [0,0,0,0,2,0|2,0,0]=4 725 B9R1.6 CC(=O)c1cccnc1 PI-32250 [0,0,0,0,2,0|2,0,0]=4 726 B9R1.6 CC(=O)c1ccncc1 PI-38297 [0,0,0,0,2,0|2,0,0]=4 727 B9R1.6 C[C@@H](C1=CC=CC=C1)O PI-50011 [0,0,0,0,2,0|1,0,1]=4 728 B9R1.6 C[C@H](c1ccccc1)O PI-38963 [0,0,0,0,2,0|1,0,1]=4 729 B9R1.6 N1=C(N=CC=C1)C(=O)O PI-36489 [0,0,0,0,2,0|2,0,0]=4 730 B9R1.6 NC(=N)c1ccccc1 PI-30200 [0,0,0,0,2,0|2,0,0]=4 731 B9R1.6 NC(=O)c1cccnc1 PI-12870 [0,0,0,0,2,0|2,0,0]=4 732 B9R1.6 NC(=S)c1ccccc1 PI-29356 [0,0,0,0,2,0|1,1,0]=4 733 B9R1.6 OB(O)c1ccccc1 PI-16480 [0,0,0,0,2,0|1,0,1]=4 734 B9R1.6 OC(=O)c1cccnc1 PI-15824 [0,0,0,0,2,0|1,0,0]=3 735 B9R1.6 OC(=O)c1ccncn1 PI-32629 [0,0,0,0,2,0|2,0,0]=4 736 B9R1.6 [O-]C(=O)c1ccccn1 PI-27190 [0,0,0,0,2,0|1,0,1]=4 737 B9R1.13 C1=COC=C1CC(=O)O PI-36295 [0,0,0,0,2,0|1,0,1]=4 738 B9R1.13 OC(=O)CC1=CC=C[CH-]1 PI-40764 [0,0,0,0,2,0|0,0,2]=4 739 B9R1.13 OC(=O)Cc1cccs1 PI-11148 [0,0,0,0,2,0|1,0,1]=4 740 B9R1.13 OC(=O)Cc1cscc1 PI-15240 [0,0,0,0,2,0|1,0,1]=4 741 B13R1.337 C1=CC=C(C=C1)CCCCC(=O)O PI-44029 [0,0,0,0,0,2|0,0,2]=4