0 B13R2.3683 BrC1=CC2=CC=C(Br)C=C2C=C1 PI-37059 [0,0,0,0,0,0|3,0,0]=3 1 B13R2.3683 Brc1ccc2c(c1)cnc(n2)Cl PI-34844 [0,0,0,0,0,0|4,0,0]=4 2 B13R2.3683 Brc1ccc2c(c1)cnc(n2)N PI-34644 [0,0,0,0,0,0|4,0,0]=4 3 B13R2.3683 C1=CC(=NC2=NC=C(C=C21)Br)N PI-50073 [0,0,0,0,0,0|4,0,0]=4 4 B13R2.3683 C1=CC2=C(C=CC(=C2)Cl)C=C1O PI-36575 [0,0,0,0,0,0|2,0,1]=3 5 B13R2.3683 C1=CC2=C(C=CC(=N2)Cl)C=C1Br PI-25270 [0,0,0,0,0,0|3,0,0]=3 6 B13R2.3683 C1=CC2=C(C=CC(=O)N2)C=C1Br PI-35473 [0,0,0,0,0,0|2,0,0]=2 7 B13R2.3683 C1CC2=C(CC1=O)C=CC(=C2)F PI-17758 [0,0,0,0,0,0|2,0,2]=4 8 B13R2.3683 CC1=CC2=C(C=C1)N=C(C=C2)Br PI-35456 [0,0,0,0,0,0|2,0,0]=2 9 B13R2.3683 CC1=NC2=C(C=C1)C=C(C=C2)Cl PI-29974 [0,0,0,0,0,0|3,0,0]=3 10 B13R2.3683 CC1=NC2=C(C=C1)C=C(C=C2)N PI-30830 [0,0,0,0,0,0|3,0,0]=3 11 B13R2.3683 CC1=NC2=C(C=C1)C=C(C=C2)O PI-29761 [0,0,0,0,0,0|2,0,1]=3 12 B13R2.3683 Cc1ccc2c(c1)ccc(=O)o2 PI-36976 [0,0,0,0,0,0|0,0,0]=0 13 B13R2.3683 Cc1ccc2cc(Br)ccc2n1 PI-14483 [0,0,0,0,0,0|3,0,0]=3 14 B13R2.3683 Cc1ccc2nc(C)ccc2c1 PI-11770 [0,0,0,0,0,0|2,0,0]=2 15 B13R2.3683 Clc1ccc2c(c1)ccc(c2)Cl PI-16536 [0,0,0,0,0,0|3,0,0]=3 16 B13R2.3683 Clc1ccc2c(c1)ncc(n2)Cl PI-11765 [0,0,0,0,0,0|4,0,0]=4 17 B13R2.3683 Fc1ccc2nc(C)ccc2c1 PI-28059 [0,0,0,0,0,0|3,0,0]=3 18 B13R2.3683 O=C1CCc2c(N1)ccc(c2)N PI-34829 [0,0,0,0,0,0|2,0,2]=4 19 B13R2.3683 O=C1CCc2c(N1)ccc(c2)O PI-22828 [0,0,0,0,0,0|2,0,2]=4 20 B13R2.3683 O=C1CCc2cc(Br)ccc2C1 PI-17751 [0,0,0,0,0,0|2,0,2]=4 21 B13R2.3683 O=C1COc2c(N1)ccc(c2)F PI-39020 [0,0,0,0,0,0|3,0,1]=4 22 B13R2.3683 Oc1ccc2c(c1)ccc(=O)o2 PI-10446 [0,0,0,0,0,0|1,0,0]=1 23 B13R2.3683 Oc1ccc2c(c1)ccc(n2)Cl PI-39000 [0,0,0,0,0,0|3,0,0]=3 24 B13R2.3683 Oc1ccc2c(c1)ccc(n2)O PI-38999 [0,0,0,0,0,0|2,0,1]=3 25 B13R2.3683 Oc1ccc2cc(Br)ccc2c1 PI-12042 [0,0,0,0,0,0|2,0,1]=3 26 B13R2.3683 Oc1ccc2cc(O)ccc2c1 PI-10866 [0,0,0,0,0,0|2,0,1]=3 27 B12R2.24 BrC1=CC=C2N=CC=CC2=C1 PI-41127 [1,0,0,0,0,0|2,0,0]=3 28 B12R2.24 Brc1ccc2c(c1)ccnc2 PI-17753 [1,0,0,0,0,0|3,0,0]=4 29 B12R2.24 Brc1ccc2c(c1)nccn2 PI-38987 [1,0,0,0,0,0|3,0,0]=4 30 B12R2.24 Brc1ccc2ccccc2c1 PI-11812 [1,0,0,0,0,0|2,0,0]=3 31 B12R2.24 C1=CC(=CC2=C1C=CN=C2)O PI-17780 [1,0,0,0,0,0|2,0,1]=4 32 B12R2.24 C1=CC(=NC2=C1C=NC=C2)N PI-48335 [1,0,0,0,0,0|3,0,0]=4 33 B12R2.24 C1=CC2=C(C=C(C=C2)N)N=C1 PI-45912 [1,0,0,0,0,0|3,0,0]=4 34 B12R2.24 C1=CC2=C(C=CC(=C2)Br)N=C1 PI-29666 [1,0,0,0,0,0|2,0,0]=3 35 B12R2.24 C1=CC2=C(C=CC(=C2)Cl)N=C1 PI-11112 [1,0,0,0,0,0|2,0,0]=3 36 B12R2.24 C1=CC2=C(C=CC(=N2)Cl)N=C1 PI-45472 [1,0,0,0,0,0|3,0,0]=4 37 B12R2.24 C1=CC2=C(C=CN=C2)C=C1N PI-48190 [1,0,0,0,0,0|3,0,0]=4 38 B12R2.24 C1=CC2=CC(=O)NC=C2C=C1 PI-29911 [1,0,0,0,0,0|2,0,0]=3 39 B12R2.24 C1=CC=C2C(=C1)C=C(C=N2)Br PI-16426 [1,0,0,0,0,0|3,0,0]=4 40 B12R2.24 C1=CC=C2C(=C1)C=C(C=N2)O PI-35162 [1,0,0,0,0,0|2,0,1]=4 41 B12R2.24 C1=CC=C2C(=C1)C=CC(=N2)Br PI-29304 [1,0,0,0,0,0|2,0,0]=3 42 B12R2.24 C1=CC=C2C(=C1)C=CC(=N2)N PI-11108 [1,0,0,0,0,0|2,0,0]=3 43 B12R2.24 C1=CC=C2C(=C1)C=CC(=S)N2 PI-29414 [1,0,0,0,0,0|1,1,0]=3 44 B12R2.24 C1=CC=C2C(=C1)N=CC(=N2)Cl PI-49348 [1,0,0,0,0,0|3,0,0]=4 45 B12R2.24 C1=CC=C2C(=C1)NC(=O)C=N2 PI-49857 [1,0,0,0,0,0|2,0,0]=3 46 B12R2.24 C1=CC=C2C=C(C=CC2=C1)Cl PI-24669 [1,0,0,0,0,0|2,0,0]=3 47 B12R2.24 C1=CC=C2C=[N+](C=CC2=C1)[O-] PI-17902 [1,0,0,0,0,0|2,0,1]=4 48 B12R2.24 C1C(=O)NC2=CC=CC=C2N1 PI-50558 [1,0,0,0,0,0|2,0,1]=4 49 B12R2.24 CC1=CC2=CC=CC=C2N=C1 PI-16429 [1,0,0,0,0,0|2,0,0]=3 50 B12R2.24 CC1=CC2=NC=CN=C2C=C1 PI-33134 [1,0,0,0,0,0|2,0,0]=3 51 B12R2.24 CC1=CC=C2N=CC=CC2=N1 PI-40595 [1,0,0,0,0,0|2,0,0]=3 52 B12R2.24 Cc1ccc2c(n1)cccc2 PI-11867 [1,0,0,0,0,0|2,0,0]=3 53 B12R2.24 Clc1ccc2ccccc2n1 PI-16418 [1,0,0,0,0,0|2,0,0]=3 54 B12R2.24 FC1=CC=C2C=CC=CC2=C1 PI-37208 [1,0,0,0,0,0|2,0,0]=3 55 B12R2.24 Ic1ccc2c(c1)cccc2 PI-18754 [1,0,0,0,0,0|2,0,0]=3 56 B12R2.24 NC1=NC=C2C=CC=CC2=N1 PI-46795 [1,0,0,0,0,0|3,0,0]=4 57 B12R2.24 Nc1ccc2c(c1)cccc2 PI-25969 [1,0,0,0,0,0|2,0,0]=3 58 B12R2.24 Nc1ccc2c(c1)cccn2 PI-29716 [1,0,0,0,0,0|2,0,0]=3 59 B12R2.24 Nc1ccc2c(c1)nccn2 PI-33792 [1,0,0,0,0,0|3,0,0]=4 60 B12R2.24 Nc1cnc2ccccc2c1 PI-29717 [1,0,0,0,0,0|3,0,0]=4 61 B12R2.24 Nc1ncc2ccccc2c1 PI-14103 [1,0,0,0,0,0|3,0,0]=4 62 B12R2.24 O=C1CCc2c(C1)cccc2 PI-18642 [1,0,0,0,0,0|1,0,2]=4 63 B12R2.24 O=C1CCc2c(N1)cccc2 PI-29698 [1,0,0,0,0,0|1,0,2]=4 64 B12R2.24 O=C1CSc2c(N1)cccc2 PI-14812 [1,0,0,0,0,0|2,0,1]=4 65 B12R2.24 O=C1OCc2ccccc2C1 PI-10151 [1,0,0,0,0,0|2,0,1]=4 66 B12R2.24 Oc1ccc2c(c1)cccn2 PI-11465 [1,0,0,0,0,0|2,0,0]=3 67 B12R2.24 Oc1ccc2c(c1)nccc2 PI-12046 [1,0,0,0,0,0|2,0,1]=4 68 B12R2.24 Oc1ccc2c(n1)cccc2 PI-17352 [1,0,0,0,0,0|1,0,1]=3 69 B12R2.24 Oc1ccc2cnccc2c1 PI-34184 [1,0,0,0,0,0|2,0,1]=4 70 B12R2.24 SC1=CC=C2C=CC=CC2=C1 PI-25970 [1,0,0,0,0,0|1,1,0]=3 71 B14R2.2332 CCC1=CC2=C(C=C1)C=C(C=C2)O PI-28151 [0,1,0,0,0,0|1,0,1]=3 72 B14R2.2332 COC1=CC=C2C=C(Br)C=CC2=N1 PI-46784 [0,1,0,0,0,0|2,0,1]=4 73 B14R2.2332 COc1ccc2CC(=O)CCc2c1 PI-16454 [0,1,0,0,0,0|1,0,2]=4 74 B14R2.2332 COc1ccc2c(c1)ccc(c2)O PI-18603 [0,1,0,0,0,0|1,0,1]=3 75 B14R2.2332 COc1ccc2c(c1)ccc(n2)Cl PI-39133 [0,1,0,0,0,0|2,0,0]=3 76 B14R2.2332 COc1ccc2cc(Br)ccc2c1 PI-10302 [0,1,0,0,0,0|2,0,0]=3 77 B14R2.2332 COc1ccc2nc(C)ccc2c1 PI-16514 [0,1,0,0,0,0|2,0,0]=3 78 B14R2.2332 N#Cc1ccc2c(c1)ccc(c2)O PI-18633 [0,1,0,0,0,0|1,0,2]=4 79 B14R2.2332 O=Cc1ccc2c(c1)ccc(c2)O PI-28822 [0,1,0,0,0,0|2,0,0]=3 80 B14R2.8235 Brc1ccc2[nH]c(=O)[nH]c(=O)c2c1 PI-36145 [0,1,0,0,0,0|3,0,0]=4 81 B14R2.8235 Brc1ccc2c(c1)c(O)cc(=O)o2 PI-15397 [0,1,0,0,0,0|1,0,0]=2 82 B14R2.8235 C1=CC2=C(C=C1Br)C(=CC(=N2)Cl)Cl PI-46543 [0,1,0,0,0,0|3,0,0]=4 83 B14R2.8235 C1=CC2=C(C=C1Br)C(=O)OC(=O)N2 PI-14459 [0,1,0,0,0,0|3,0,0]=4 84 B14R2.8235 C1=CC2=C(C=C1Cl)C(=O)OC(=O)N2 PI-18561 [0,1,0,0,0,0|3,0,0]=4 85 B14R2.8235 C1=CC2=C(C=C1O)C(=O)OC(=O)N2 PI-20780 [0,1,0,0,0,0|3,0,0]=4 86 B14R2.8235 CC1=CC(=C2C=C(C=CC2=N1)F)Cl PI-29274 [0,1,0,0,0,0|3,0,0]=4 87 B14R2.8235 CC1=CC2=C(C=C1)N=C(NC2=O)N PI-30661 [0,1,0,0,0,0|3,0,0]=4 88 B14R2.8235 CC1=CC2=C(C=C1)NC(=O)OC2=O PI-18557 [0,1,0,0,0,0|2,0,0]=3 89 B14R2.8235 CC1=CC2=C(C=C1)OC(=O)C=C2O PI-15406 [0,1,0,0,0,0|0,0,0]=1 90 B14R2.8235 Cc1ccc2[nH]c(=O)[nH]c(=O)c2c1 PI-36220 [0,1,0,0,0,0|2,0,0]=3 91 B14R2.8235 Clc1ccc2c(c1)c(O)cc(=O)o2 PI-15400 [0,1,0,0,0,0|1,0,0]=2 92 B14R2.8235 FC1=CC2=C(NC(=O)OC2=O)C=C1 PI-32993 [0,1,0,0,0,0|3,0,0]=4 93 B14R2.8235 Fc1ccc2[nH]c(=O)oc(=O)c2c1 PI-28121 [0,1,0,0,0,0|3,0,0]=4 94 B14R2.8235 Fc1ccc2c(c1)c(Cl)cc(n2)Cl PI-37950 [0,1,0,0,0,0|3,0,0]=4 95 B14R2.8235 Fc1ccc2c(c1)c(O)cc(n2)C PI-29166 [0,1,0,0,0,0|3,0,0]=4 96 B14R2.8239 O=c1ccc2c(o1)cc(c(c2)O)O PI-11466 [0,1,0,0,0,0|1,0,0]=2 97 B14R2.29369 Brc1ccc2c(c1)ccc(c2Br)O PI-18231 [0,1,0,0,0,0|2,0,1]=4 98 B14R2.29369 C1=CC2=C(C=CC(=C2F)F)C=C1O PI-34366 [0,1,0,0,0,0|2,0,1]=4 99 B12R1.49 CC1=CC=C(C=C1)CC(=O)NN PI-50599 [0,0,1,0,0,0|3,0,0]=4 100 B12R1.49 CCC(=O)SC1=CC=C(C=C1)C PI-19241 [0,0,1,0,0,0|0,1,2]=4 101 B12R1.49 COC(=O)Cc1ccc(cc1)C PI-12770 [0,0,1,0,0,0|2,0,1]=4 102 B12R1.49 FC1=CC=C(CC(=O)C=C)C=C1 PI-36344 [0,0,1,0,0,0|2,0,0]=3 103 B12R1.226 C1=CC(=CC(=C1)Cl)C=CC(=O)O PI-11920 [0,0,1,0,0,0|1,0,0]=2 104 B12R1.226 C1=CC(=CC(=C1)Cl)OCC(=O)O PI-50533 [0,0,1,0,0,0|2,0,1]=4 105 B12R1.226 C1=CC(=CC(=C1)F)C=CC(=O)O PI-31202 [0,0,1,0,0,0|1,0,0]=2 106 B12R1.226 C1=CC(=CC(=C1)O)C=CC(=O)O PI-11521 [0,0,1,0,0,0|1,0,0]=2 107 B12R1.226 C1=CC(=CC(=C1)O)CCC(=O)O PI-20848 [0,0,1,0,0,0|1,0,2]=4 108 B12R1.226 CC1=CC(=CC=C1)C=CC(=O)O PI-30448 [0,0,1,0,0,0|0,0,0]=1 109 B12R1.226 CC1=CC(=CC=C1)CCC(=O)O PI-24369 [0,0,1,0,0,0|0,0,2]=3 110 B12R1.226 CC1=CC(=CC=C1)OCC(=O)O PI-50532 [0,0,1,0,0,0|1,0,1]=3 111 B12R1.226 OC(=O)CCc1cccc(c1)Br PI-22538 [0,0,1,0,0,0|1,0,2]=4 112 B12R1.226 OC(=O)CCc1cccc(c1)F PI-16998 [0,0,1,0,0,0|1,0,2]=4 113 B12R1.226 OC(=O)\C=C\c1cccc(c1)Br PI-20686 [0,0,1,0,0,0|1,0,0]=2 114 B12R1.233 CC1=CC(=C(C=C1)CC(=O)O)C PI-11754 [0,0,1,0,0,0|2,0,1]=4 115 B12R2.606 C1=CC2=C(C=C1Br)NC(=O)N2 PI-45071 [0,0,0,0,1,0|3,0,0]=4 116 B12R2.606 C1=CC2=C(C=C1Br)NC(=O)S2 PI-45345 [0,0,0,0,1,0|2,1,0]=4 117 B12R2.606 C1=CC2=C(C=C1Br)SC(=O)N2 PI-45346 [0,0,0,0,1,0|3,0,0]=4 118 B12R2.606 C1=CC2=C(C=C1Cl)N=C(O2)N PI-30784 [0,0,0,0,1,0|3,0,0]=4 119 B12R2.606 C1=CC2=C(C=C1Cl)NC(=O)S2 PI-12815 [0,0,0,0,1,0|2,1,0]=4 120 B12R2.606 C1=CC2=C(C=C1Cl)OC(=O)N2 PI-12045 [0,0,0,0,1,0|3,0,0]=4 121 B12R2.606 C1=CC2=C(C=C1Cl)SC(=O)N2 PI-45343 [0,0,0,0,1,0|3,0,0]=4 122 B12R2.606 C1=CC2=C(C=C1F)NC(=O)S2 PI-45348 [0,0,0,0,1,0|2,1,0]=4 123 B12R2.606 C1=CC2=C(C=C1F)SC(=O)N2 PI-45349 [0,0,0,0,1,0|3,0,0]=4 124 B12R2.606 C1=CC2=C(C=C1N)NC(=O)N2 PI-28900 [0,0,0,0,1,0|3,0,0]=4 125 B12R2.606 C1=CC2=C(C=C1N)SC(=O)N2 PI-45354 [0,0,0,0,1,0|3,0,0]=4 126 B12R2.606 C1C(=O)CC2=C1C=CC(=C2)Br PI-32762 [0,0,0,0,1,0|2,0,1]=4 127 B12R2.606 C1C(=O)CC2=C1C=CC(=C2)F PI-32760 [0,0,0,0,1,0|2,0,1]=4 128 B12R2.606 C1C2=C(C=C(C=C2)F)NC1=O PI-22722 [0,0,0,0,1,0|3,0,0]=4 129 B12R2.606 C1C2=C(C=C(C=C2)I)NC1=O PI-48996 [0,0,0,0,1,0|3,0,0]=4 130 B12R2.606 C1C2=C(C=CC(=C2)Cl)NC1=O PI-10011 [0,0,0,0,1,0|2,0,1]=4 131 B12R2.606 C1C2=C(C=CC(=C2)I)NC1=O PI-48127 [0,0,0,0,1,0|2,0,1]=4 132 B12R2.606 CC1=CC2=C(C=C1)N=C(N2)C PI-45227 [0,0,0,0,1,0|3,0,0]=4 133 B12R2.606 CC1=CC2=C(C=C1)N=C(S2)C PI-45362 [0,0,0,0,1,0|3,0,0]=4 134 B12R2.606 CC1=CC2=C(C=C1)N=C(S2)Cl PI-45327 [0,0,0,0,1,0|3,0,0]=4 135 B12R2.606 CC1=CC2=C(C=C1)N=C(S2)N PI-45051 [0,0,0,0,1,0|3,0,0]=4 136 B12R2.606 CC1=CC2=C(C=C1)NC(=C2)C PI-23861 [0,0,0,0,1,0|2,0,0]=3 137 B12R2.606 CC1=CC2=C(C=C1)NC(=O)S2 PI-45351 [0,0,0,0,1,0|2,0,0]=3 138 B12R2.606 CC1=CC2=C(C=C1)NC(=S)N2 PI-11853 [0,0,0,0,1,0|2,1,0]=4 139 B12R2.606 CC1=CC2=C(C=C1)NC(=S)S2 PI-45338 [0,0,0,0,1,0|2,1,0]=4 140 B12R2.606 CC1=CC2=C(C=C1)OC(=N2)C PI-28651 [0,0,0,0,1,0|2,0,0]=3 141 B12R2.606 CC1=CC2=C(C=C1)SC(=C2)Br PI-29061 [0,0,0,0,1,0|1,1,0]=3 142 B12R2.606 CC1=CC2=C(C=C1)SC(=S)N2 PI-45342 [0,0,0,0,1,0|1,2,0]=4 143 B12R2.606 CC1=CC2=C(N1)C=CC(=C2)Br PI-18077 [0,0,0,0,1,0|3,0,0]=4 144 B12R2.606 CC1=CC2=C(N1)C=CC(=C2)F PI-21877 [0,0,0,0,1,0|3,0,0]=4 145 B12R2.606 CC1=CC2=C(N1)C=CC(=C2)N PI-14108 [0,0,0,0,1,0|3,0,0]=4 146 B12R2.606 CC1=CC2=C(N1)C=CC(=C2)O PI-27141 [0,0,0,0,1,0|2,0,1]=4 147 B12R2.606 CC1=CC2=C(SC(N)=N2)C=C1 PI-11119 [0,0,0,0,1,0|2,1,0]=4 148 B12R2.606 CC1=NC2=C(O1)C=CC(=C2)Cl PI-13544 [0,0,0,0,1,0|3,0,0]=4 149 B12R2.606 CC1=NC2=C(O1)C=CC(=C2)O PI-34999 [0,0,0,0,1,0|3,0,0]=4 150 B12R2.606 CC=1NC2=C(C1)C=CC(=C2)Br PI-46796 [0,0,0,0,1,0|3,0,0]=4 151 B12R2.606 Cc1ccc2c(c1)nc(s2)Cl PI-35896 [0,0,0,0,1,0|2,1,0]=4 152 B12R2.606 Clc1ccc2[nH]c(C)cc2c1 PI-27064 [0,0,0,0,1,0|3,0,0]=4 153 B12R2.606 O=C1CC2=C(C=C(Cl)C=C2)C1 PI-32761 [0,0,0,0,1,0|2,0,1]=4 154 B12R2.606 O=C1Cc2c(N1)cc(cc2)Br PI-14491 [0,0,0,0,1,0|3,0,0]=4 155 B12R2.606 O=C1Cc2ccc(Cl)cc2N1 PI-10012 [0,0,0,0,1,0|3,0,0]=4 156 B12R2.606 O=C1NC2=CC(F)=CC=C2N1 PI-46692 [0,0,0,0,1,0|3,0,0]=4 157 B12R2.606 O=C1Nc2c(C1)cc(cc2)Br PI-31105 [0,0,0,0,1,0|2,0,1]=4 158 B12R2.606 O=C1Nc2c(C1)cc(cc2)F PI-22697 [0,0,0,0,1,0|2,0,1]=4 159 B12R2.606 O=C1Nc2c(C1)cc(cc2)N PI-10591 [0,0,0,0,1,0|2,0,1]=4 160 B12R2.606 O=C1Nc2c(C1)cc(cc2)O PI-11085 [0,0,0,0,1,0|2,0,1]=4 161 B12R2.606 O=C1Oc2c(C1)cc(cc2)O PI-30406 [0,0,0,0,1,0|1,0,1]=3 162 B12R2.606 OC1=CC=C2SC(=O)OC2=C1 PI-34883 [0,0,0,0,1,0|2,1,0]=4 163 B12R2.612 Brc1ccc2c(c1)CNC2=O PI-39318 [0,0,0,0,1,0|2,0,1]=4 164 B12R2.612 C1=C(Br)C=CC2=C1CCC2=O PI-21521 [0,0,0,0,1,0|1,0,2]=4 165 B12R2.612 C1C(=O)C2=C(O1)C=C(C=C2)O PI-17763 [0,0,0,0,1,0|2,0,1]=4 166 B12R2.612 C1C2=C(C=CC(=C2)Br)C(=O)O1 PI-11635 [0,0,0,0,1,0|2,0,1]=4 167 B12R2.612 C1C2=C(C=CC(=C2)N)C(=O)N1 PI-36570 [0,0,0,0,1,0|2,0,1]=4 168 B12R2.612 C1C2=C(C=CC(=C2)N)C(=O)O1 PI-17686 [0,0,0,0,1,0|2,0,1]=4 169 B12R2.612 C1CC(=O)C2=C1C=C(C=C2)F PI-16849 [0,0,0,0,1,0|1,0,2]=4 170 B12R2.612 C1CC(=O)C2=C1C=C(C=C2)I PI-32739 [0,0,0,0,1,0|1,0,2]=4 171 B12R2.612 CN1C=CC2=C1C=CC(=C2)N PI-45196 [0,0,0,0,1,0|3,0,0]=4 172 B12R2.612 Clc1ccc2C(=O)CCc2c1 PI-31195 [0,0,0,0,1,0|1,0,2]=4 173 B12R2.612 Nc1ccc2C(=O)CCc2c1 PI-14100 [0,0,0,0,1,0|1,0,2]=4 174 B12R2.612 O=C1CCC2=C1C=CC(C)=C2 PI-40563 [0,0,0,0,1,0|0,0,2]=3 175 B12R2.612 O=C1NCC2=C1C=CC(O)=C2 PI-46708 [0,0,0,0,1,0|2,0,1]=4 176 B12R2.612 O=C1OCC2=C1C=CC(Cl)=C2 PI-40884 [0,0,0,0,1,0|2,0,1]=4 177 B12R2.612 Oc1ccc2C(=O)CCc2c1 PI-11505 [0,0,0,0,1,0|1,0,2]=4 178 B14R2.5634 CC1=CC2=C(C=C1)OCC(=O)CO2 PI-24297 [0,0,0,0,0,1|1,0,1]=3 179 B11R1.1 C=CCOC1=CC=C(C=C1)Cl PI-30132 [1,0,1,0,0,0|1,0,1]=4 180 B11R1.1 CC1=CC=C(C=C1)CCC=C PI-50176 [1,0,1,0,0,0|1,0,1]=4 181 B11R1.20 C1=CC(=CC=C1OC(=O)Cl)Cl PI-18893 [1,0,1,0,0,0|2,0,0]=4 182 B11R1.20 CC(=O)OC1=CC=C(C=C1)F PI-16968 [1,0,1,0,0,0|1,0,1]=4 183 B11R1.20 CC(=O)OC1=CC=C(C=C1)O PI-49042 [1,0,1,0,0,0|1,0,1]=4 184 B11R1.20 CC(=O)Oc1ccc(cc1)Br PI-35155 [1,0,1,0,0,0|1,0,1]=4 185 B11R1.20 CC(OC1=CC=C(N)C=C1)=O PI-37062 [1,0,1,0,0,0|1,0,1]=4 186 B11R1.20 CC1=CC=C(C=C1)CC(=O)O PI-30795 [1,0,1,0,0,0|2,0,0]=4 187 B11R1.20 CC1=CC=C(C=C1)NC(=O)N PI-24527 [1,0,1,0,0,0|2,0,0]=4 188 B11R1.20 ClC(=O)Cc1ccc(C)cc1 PI-24891 [1,0,1,0,0,0|2,0,0]=4 189 B11R1.20 ClC(=S)Oc1ccc(C)cc1 PI-24674 [1,0,1,0,0,0|1,1,0]=4 190 B11R1.40 C=CC(OC1=CC=CC=C1)=O PI-41188 [1,0,1,0,0,0|0,0,0]=2 191 B11R1.81 CC1=CC(=C(C=C1)NC=O)C PI-23924 [1,0,1,0,0,0|1,0,1]=4 192 B11R1.24 C1=CC(=CC(=C1)Br)\C=C\C=O PI-46500 [1,0,1,0,0,0|1,0,0]=3 193 B11R1.24 C1=CC(=CC(=C1)Cl)\C=C\C=O PI-46546 [1,0,1,0,0,0|1,0,0]=3 194 B11R1.24 O=C\C=C\C1=CC=CC(F)=C1 PI-46535 [1,0,1,0,0,0|1,0,0]=3 195 B11R1.91 C1=CC=C(C=C1)C=CC(=O)[O-] PI-12955 [1,0,1,0,0,0|0,0,1]=3 196 B11R1.91 C1=CC=C(C=C1)NCC(=O)O PI-14870 [1,0,1,0,0,0|1,0,1]=4 197 B11R1.91 C1=CC=C(C=C1)OCC(=O)O PI-32615 [1,0,1,0,0,0|1,0,1]=4 198 B11R1.91 NC(=O)\C=C\c1ccccc1 PI-30792 [1,0,1,0,0,0|1,0,0]=3 199 B11R1.91 OB(\C=C\c1ccccc1)O PI-25014 [1,0,1,0,0,0|1,0,1]=4 200 B11R1.91 OC(=O)C#Cc1ccccc1 PI-28707 [1,0,1,0,0,0|0,0,2]=4 201 B11R1.91 OC(=O)\C=C\c1ccccn1 PI-28790 [1,0,1,0,0,0|1,0,0]=3 202 B11R1.91 OC(=O)\C=C\c1cccnc1 PI-28055 [1,0,1,0,0,0|1,0,0]=3 203 B11R1.91 OC(=O)\C=C\c1ccncc1 PI-31341 [1,0,1,0,0,0|1,0,0]=3 204 B11R1.91 [O-][N+](=O)\C=C\c1ccccc1 PI-36903 [1,0,1,0,0,0|1,0,1]=4 205 B11R1.86 CC(=O)OC1=CC=CC=C1Cl PI-10924 [1,0,1,0,0,0|1,0,1]=4 206 B11R1.17 C1=CC=C(C(=C1)\C=C\C=O)Br PI-46499 [1,0,1,0,0,0|1,0,0]=3 207 B11R1.17 C1=CC=C(C(=C1)\C=C\C=O)F PI-46537 [1,0,1,0,0,0|1,0,0]=3 208 B11R2.20 C12=CC=CN=C1C=CC=C2 PI-47013 [2,0,0,0,0,0|1,0,0]=3 209 B11R2.20 C1=CC2=C(C=CN=C2)N=C1 PI-13294 [2,0,0,0,0,0|2,0,0]=4 210 B11R2.20 C1=CC2=C(N=C1)N=CC=C2 PI-18404 [2,0,0,0,0,0|2,0,0]=4 211 B11R2.20 C1=CC=C2C(=C1)C=CC=N2 PI-29663 [2,0,0,0,0,0|1,0,0]=3 212 B11R2.20 C1=Cc2c(CC1)cccc2 PI-25582 [2,0,0,0,0,0|1,0,1]=4 213 B11R2.20 c1cnc2c(c1)nccc2 PI-18405 [2,0,0,0,0,0|2,0,0]=4 214 B13R1.148 CC1=CC(=CC=C1)CC(C(=O)O)N PI-43208 [0,1,1,0,0,0|0,0,2]=4 215 B13R1.148 CC1=CC(=CC=C1)CC(C(=O)O)N PI-43420 [0,1,1,0,0,0|0,0,2]=4 216 B13R1.150 C1=CC(=C(C(=C1)F)F)C=CC(=O)O PI-21156 [0,1,1,0,0,0|1,0,0]=3 217 B13R1.150 CC1=C(C(=CC=C1)OCC(=O)O)C PI-23901 [0,1,1,0,0,0|1,0,1]=4 218 B13R1.511 C1=CC(=C(C=C1C=CC(=O)O)Br)F PI-21448 [0,1,1,0,0,0|1,0,0]=3 219 B13R1.511 C1=CC(=C(C=C1C=CC(=O)O)Cl)Cl PI-25089 [0,1,1,0,0,0|1,0,0]=3 220 B13R1.511 CC1=C(C=C(C=C1)OCC(=O)O)C PI-21974 [0,1,1,0,0,0|1,0,1]=4 221 B13R1.511 ClC(=O)\C=C\c1ccc(F)c(Br)c1 PI-21474 [0,1,1,0,0,0|2,0,0]=4 222 B13R1.511 OC(=O)\C=C\c1ccc(F)c(F)c1 PI-21159 [0,1,1,0,0,0|1,0,0]=3 223 B13R1.511 OC(=O)\C=C\c1ccc(c(c1)O)O PI-11525 [0,1,1,0,0,0|1,0,0]=3 224 B13R1.643 COC1=CC(=CC=C1)OCC(=O)O PI-29330 [0,1,1,0,0,0|1,0,1]=4 225 B13R1.643 COc1cccc(c1)\C=C\C(=O)O PI-25013 [0,1,1,0,0,0|0,0,0]=2 226 B13R1.893 C1=CC(=C(C=C1Br)C=CC(=O)O)F PI-21449 [0,1,1,0,0,0|1,0,0]=3 227 B13R1.893 C1=CC(=C(C=C1F)C=CC(=O)O)Br PI-34467 [0,1,1,0,0,0|1,0,0]=3 228 B13R1.893 C1=CC(=C(C=C1F)C=CC(=O)O)F PI-21158 [0,1,1,0,0,0|1,0,0]=3 229 B13R1.3420 C1=C(C=C(C=C1F)F)C=CC(=O)O PI-34412 [0,1,1,0,0,0|1,0,0]=3 230 B13R1.3420 O=C(O)\C=C\C1=CC(F)=CC(F)=C1 PI-21160 [0,1,1,0,0,0|1,0,0]=3 231 B13R2.32 Brc1ccc2c(c1O)cccc2 PI-39182 [1,1,0,0,0,0|2,0,0]=4 232 B13R2.32 C1=CC(=O)C(=C2C1=CNC=C2)Cl PI-44811 [1,1,0,0,0,0|2,0,0]=4 233 B13R2.32 C1=CC2=C(C=CC(=C2Cl)O)N=C1 PI-44806 [1,1,0,0,0,0|2,0,0]=4 234 B13R2.32 C1=CC=C2C(=C1)C=CC(=C2N)O PI-18432 [1,1,0,0,0,0|1,0,1]=4 235 B13R2.32 C1=CC=C2C(=C1)C=CC(=C2N)O PI-25084 [1,1,0,0,0,0|1,0,1]=4 236 B13R2.32 C1=CC=C2C(=C1)C=CC(=C2O)F PI-18694 [1,1,0,0,0,0|2,0,0]=4 237 B13R2.32 C1=CC=C2C(=C1)C=CC(=C2O)N PI-18543 [1,1,0,0,0,0|2,0,0]=4 238 B13R2.32 C1=CC=C2C(=C1)C=CC(=C2O)O PI-25690 [1,1,0,0,0,0|1,0,1]=4 239 B13R2.32 C1=CC=C2C(=C1)C=CC(=O)C2=O PI-25638 [1,1,0,0,0,0|1,0,0]=3 240 B13R2.32 C1=CNC2=C(C(=O)C=CC2=C1)Cl PI-44809 [1,1,0,0,0,0|2,0,0]=4 241 B13R2.32 C1=CNC2=CC=C(C(=O)C2=C1)Cl PI-44805 [1,1,0,0,0,0|2,0,0]=4 242 B13R2.32 CC1=C(C2=CC=CC=C2C=C1)Br PI-11689 [1,1,0,0,0,0|1,0,0]=3 243 B13R2.32 CC1=C(C2=CC=CC=C2C=C1)O PI-18875 [1,1,0,0,0,0|1,0,0]=3 244 B13R2.32 CC1=[N+](C2=CC=CC=C2C=C1)[O-] PI-42564 [1,1,0,0,0,0|2,0,0]=4 245 B13R2.32 Cc1ccc2ccccc2c1C PI-25689 [1,1,0,0,0,0|1,0,0]=3 246 B13R2.32 Cc1ccc2ccccc2c1N PI-18358 [1,1,0,0,0,0|1,0,0]=3 247 B13R2.32 OC1=C(Br)C=CC2=C1C=CC=C2 PI-39181 [1,1,0,0,0,0|2,0,0]=4 248 B13R2.32 Oc1ccc2c(c1Br)cccc2 PI-25688 [1,1,0,0,0,0|1,0,1]=4 249 B13R2.57 BrCc1ccc2ccccc2c1 PI-11811 [1,1,0,0,0,0|1,0,0]=3 250 B13R2.57 BrCc1ccc2ccccc2n1 PI-36507 [1,1,0,0,0,0|2,0,0]=4 251 B13R2.57 C1=C(C=CC2=NC=CC=C12)CO PI-31801 [1,1,0,0,0,0|1,0,0]=3 252 B13R2.57 C1=CC=C2C(=C1)C=C(C=N2)C=O PI-29125 [1,1,0,0,0,0|2,0,0]=4 253 B13R2.57 C1=CC=C2C(=C1)C=CC(=N2)CO PI-29257 [1,1,0,0,0,0|1,0,1]=4 254 B13R2.57 C1=CC=C2C=C(C=CC2=C1)C#N PI-18756 [1,1,0,0,0,0|1,0,1]=4 255 B13R2.57 C1=CC=C2C=C(C=CC2=C1)NN PI-33898 [1,1,0,0,0,0|2,0,0]=4 256 B13R2.57 C=CC1=CC2=CC=CC=C2C=C1 PI-25858 [1,1,0,0,0,0|1,0,1]=4 257 B13R2.57 CCC1=CC2=CC=CC=C2C=C1 PI-25977 [1,1,0,0,0,0|1,0,0]=3 258 B13R2.57 CCC1=CC2=CC=CC=C2N=C1 PI-33334 [1,1,0,0,0,0|2,0,0]=4 259 B13R2.57 COC1=CC2=C(C=C1)C=NC=C2 PI-34185 [1,1,0,0,0,0|2,0,0]=4 260 B13R2.57 COc1ccc2ncccc2c1 PI-31218 [1,1,0,0,0,0|1,0,0]=3 261 B13R2.57 CSC1=CC2=CC=CC=C2C=C1 PI-18873 [1,1,0,0,0,0|1,0,0]=3 262 B13R2.57 ClCc1ccc2c(c1)cccc2 PI-18399 [1,1,0,0,0,0|1,0,0]=3 263 B13R2.57 NNc1ccc2ccccc2n1 PI-20725 [1,1,0,0,0,0|2,0,0]=4 264 B13R2.57 O=Cc1ccc2c(c1)cccc2 PI-11868 [1,1,0,0,0,0|1,0,0]=3 265 B13R2.57 O=Cc1ccc2c(n1)cccc2 PI-11880 [1,1,0,0,0,0|1,0,0]=3 266 B13R2.57 O=Cc1ccc2ncccc2c1 PI-32941 [1,1,0,0,0,0|1,0,1]=4 267 B13R2.57 OCc1ccc2ccccc2c1 PI-11869 [1,1,0,0,0,0|1,0,0]=3 268 B13R2.57 [C-]#[N+]C1=CC=C2C=CC=CC2=C1 PI-36483 [1,1,0,0,0,0|1,0,1]=4 269 B13R2.155 BrC1=CC2=CC(=CC=C2C=C1)Br PI-40219 [1,1,0,0,0,0|2,0,0]=4 270 B13R2.155 C1=CC(=CC2=C1C=CC(=C2)Br)O PI-39114 [1,1,0,0,0,0|1,0,1]=4 271 B13R2.155 C1=CC(=CC2=C1C=CC(=C2)O)O PI-32100 [1,1,0,0,0,0|1,0,1]=4 272 B13R2.155 C1=CC(=CC2=C1C=CC(=N2)Cl)Br PI-48167 [1,1,0,0,0,0|2,0,0]=4 273 B13R2.155 C1=CC(=CC2=C1C=CC(=O)O2)O PI-10445 [1,1,0,0,0,0|0,0,0]=2 274 B13R2.155 C1=CC2=NC=C(C=C2C=C1Br)O PI-45733 [1,1,0,0,0,0|2,0,0]=4 275 B13R2.155 CC1=CC2=C(C=C1)C=CC(=N2)C PI-29979 [1,1,0,0,0,0|2,0,0]=4 276 B13R2.155 CC1=NC2=CC(F)=CC=C2C=C1 PI-28060 [1,1,0,0,0,0|2,0,0]=4 277 B13R2.155 Cc1ccc2c(c1)cc(cc2)C PI-23889 [1,1,0,0,0,0|1,0,0]=3 278 B13R2.155 Oc1ccc2ccc(O)nc2c1 PI-13540 [1,1,0,0,0,0|1,0,1]=4 279 B13R2.155 SC1=CC=C2C=CC(S)=CC2=C1 PI-18854 [1,1,0,0,0,0|1,1,0]=4 280 B13R2.162 Brc1ccc2c(c1)c(O)ccn2 PI-31576 [1,1,0,0,0,0|2,0,0]=4 281 B13R2.162 C1=C2C(=NC(=C1)C)C(=CC=C2)O PI-33671 [1,1,0,0,0,0|2,0,0]=4 282 B13R2.162 C1=CC2=C(C(=C1)O)N=C(C=C2)N PI-24571 [1,1,0,0,0,0|2,0,0]=4 283 B13R2.162 C1=CC2=C(C(=C1)O)NC(=O)C=C2 PI-28179 [1,1,0,0,0,0|1,0,0]=3 284 B13R2.162 C1=CC2=C(C=C(C=C2)O)C(=C1)Br PI-45478 [1,1,0,0,0,0|1,0,1]=4 285 B13R2.162 C1=CC2=C(C=C(C=C2)O)C(=C1)O PI-11684 [1,1,0,0,0,0|1,0,1]=4 286 B13R2.162 C1=CC2=C(C=C1Br)C(=O)C=CO2 PI-15388 [1,1,0,0,0,0|1,0,0]=3 287 B13R2.162 C1=CC2=C(C=C1F)C(=O)C=CN2 PI-23595 [1,1,0,0,0,0|2,0,0]=4 288 B13R2.162 C1=CC2=CC=CC(=C2N=C1C)N PI-29287 [1,1,0,0,0,0|2,0,0]=4 289 B13R2.162 C1=CC2=NC=CC(=C2C=C1Br)Cl PI-46542 [1,1,0,0,0,0|2,0,0]=4 290 B13R2.162 CC1=C2C(=CC=C1)C=CC(=N2)C PI-11772 [1,1,0,0,0,0|2,0,0]=4 291 B13R2.162 CC1=C2C=C(C=CC2=CC=C1)O PI-49019 [1,1,0,0,0,0|1,0,1]=4 292 B13R2.162 CC1=CC2=C(C=C1)OCCC2=O PI-15393 [1,1,0,0,0,0|0,0,2]=4 293 B13R2.162 CC1=CC2=C(C=CC=C2C=C1)C PI-18703 [1,1,0,0,0,0|1,0,0]=3 294 B13R2.162 CC1=NC2=C(C=CC=C2Cl)C=C1 PI-16458 [1,1,0,0,0,0|2,0,0]=4 295 B13R2.162 Cc1ccc2cccc(Br)c2n1 PI-36505 [1,1,0,0,0,0|2,0,0]=4 296 B13R2.162 Clc1ccc2c(c1)c(O)ccn2 PI-31575 [1,1,0,0,0,0|2,0,0]=4 297 B13R2.162 Clc1ccc2occc(=O)c2c1 PI-15387 [1,1,0,0,0,0|1,0,0]=3 298 B13R2.162 Fc1ccc2c(c1)c(Cl)ccn2 PI-20115 [1,1,0,0,0,0|2,0,0]=4 299 B13R2.162 OC1=CC=C2C=CC=C(N)C2=C1 PI-25075 [1,1,0,0,0,0|1,0,1]=4 300 B13R2.328 C1=CC=C2C(=C1)C(=CC(=N2)Cl)Cl PI-29861 [1,1,0,0,0,0|2,0,0]=4 301 B13R2.328 C1=CC=C2C(=C1)C(=CC(=O)N2)[O-] PI-29605 [1,1,0,0,0,0|1,0,0]=3 302 B13R2.328 C1=CC=C2C(=C1)C(=O)C=C(N2)N PI-29594 [1,1,0,0,0,0|2,0,0]=4 303 B13R2.328 C1C2=CC=CC=C2C(=O)NC1=O PI-40295 [1,1,0,0,0,0|2,0,0]=4 304 B13R2.328 CC1=CC(=NC2=CC=CC=C12)C PI-11755 [1,1,0,0,0,0|2,0,0]=4 305 B13R2.328 CC1=CC(=NC2=CC=CC=C12)Cl PI-10849 [1,1,0,0,0,0|2,0,0]=4 306 B13R2.328 CC1=CC2=CC=CC=C2[N+](=C1)[O-] PI-29281 [1,1,0,0,0,0|2,0,0]=4 307 B13R2.328 Cc1cc(N)c2ccccc2n1 PI-17561 [1,1,0,0,0,0|2,0,0]=4 308 B13R2.328 Cc1cc(O)c2c(n1)cccc2 PI-29750 [1,1,0,0,0,0|2,0,0]=4 309 B13R2.328 Cc1cc2ccccc2c(c1)C PI-25697 [1,1,0,0,0,0|1,0,0]=3 310 B13R2.328 O=C1OC(=O)c2c(C1)cccc2 PI-16185 [1,1,0,0,0,0|2,0,0]=4 311 B13R2.328 O=c1cc(O)c2ccccc2o1 PI-31737 [1,1,0,0,0,0|0,0,0]=2 312 B13R2.328 Oc1cc(C)c2c(n1)cccc2 PI-10848 [1,1,0,0,0,0|1,0,1]=4 313 B13R2.328 Oc1cc(O)c2c(n1)cccc2 PI-16408 [1,1,0,0,0,0|1,0,1]=4 314 B13R2.328 Oc1cc2ccccc2c(c1)O PI-25115 [1,1,0,0,0,0|1,0,1]=4 315 B13R2.369 C1=CC=C2C(=C1)C=C(C(=N2)Br)Br PI-50065 [1,1,0,0,0,0|2,0,0]=4 316 B13R2.369 C1=CC=C2C=C(C(=CC2=C1)Br)Br PI-18146 [1,1,0,0,0,0|2,0,0]=4 317 B13R2.369 C1=CC=C2C=C(C(=CC2=C1)N)O PI-25656 [1,1,0,0,0,0|1,0,1]=4 318 B13R2.369 CC1=CC2=CC=CC=C2N=C1Cl PI-29715 [1,1,0,0,0,0|2,0,0]=4 319 B13R2.369 Cc1cc2ccccc2cc1C PI-25704 [1,1,0,0,0,0|1,0,0]=3 320 B13R2.369 NC1=C(C)N=C2C=CC=CC2=C1 PI-46688 [1,1,0,0,0,0|2,0,0]=4 321 B13R2.369 Nc1cc2ccccc2cc1N PI-25833 [1,1,0,0,0,0|2,0,0]=4 322 B13R2.369 O=c1oc2ccccc2cc1N PI-17434 [1,1,0,0,0,0|0,0,0]=2 323 B13R2.369 Oc1cc2ccccc2cc1O PI-32469 [1,1,0,0,0,0|1,0,1]=4 324 B13R2.5179 C1=CC2=C(C=CC(=C2)O)C(=C1)O PI-32101 [1,1,0,0,0,0|1,0,1]=4 325 B13R2.5179 CC1=CC2=C(C=C1)C(=NC=C2)Cl PI-34194 [1,1,0,0,0,0|2,0,0]=4 326 B13R2.5179 CC1=CC2=C(C=C1)C(=NC=C2)N PI-34195 [1,1,0,0,0,0|2,0,0]=4 327 B13R2.5179 CC1=CC2=CC=CC(=C2C=C1)C PI-25698 [1,1,0,0,0,0|1,0,0]=3 328 B13R2.5179 CC1=CC=C2C(N)=CC=CC2=N1 PI-37296 [1,1,0,0,0,0|2,0,0]=4 329 B13R2.5179 CC1=NC2=C(C=C1)C(=CC=C2)Cl PI-33672 [1,1,0,0,0,0|2,0,0]=4 330 B13R2.5179 Nc1ccc2c(O)cccc2c1 PI-18377 [1,1,0,0,0,0|2,0,0]=4 331 B13R2.5179 O=C1C=CNC2=C1C=CC(C)=C2 PI-46705 [1,1,0,0,0,0|2,0,0]=4 332 B13R2.5179 Oc1ccc2c(c1)cccc2N PI-18951 [1,1,0,0,0,0|1,0,1]=4 333 B13R2.43 CC1=CC2=C(C=C1)SC(=C2)CO PI-29366 [0,1,0,0,1,0|0,1,1]=4 334 B13R2.2121 CC1=CC2=C(N1)C=CC(=C2)OC PI-29051 [0,1,0,0,1,0|2,0,0]=4 335 B13R2.2121 COC1=CC2=C(C=C1)NC(=O)S2 PI-45352 [0,1,0,0,1,0|2,0,0]=4 336 B13R2.2121 COC1=CC=C2CC(=O)CC2=C1 PI-32103 [0,1,0,0,1,0|1,0,1]=4 337 B13R2.2121 COc1ccc2CC(=O)Nc2c1 PI-33951 [0,1,0,0,1,0|2,0,0]=4 338 B13R2.3028 C1=CC2=C(C=C1Br)C(=O)C(=O)N2 PI-20345 [0,1,0,0,1,0|2,0,0]=4 339 B13R2.3028 C1=CC2=C(C=C1Cl)C(=O)C(=O)N2 PI-11529 [0,1,0,0,1,0|2,0,0]=4 340 B13R2.3028 Cc1ccc2c(c1)C(=O)C(=O)N2 PI-11530 [0,1,0,0,1,0|1,0,0]=3 341 B13R2.3028 Fc1ccc2c(c1)C(=O)C(=O)N2 PI-22671 [0,1,0,0,1,0|2,0,0]=4 342 B13R2.3028 Ic1ccc2c(c1)C(=O)C(=O)N2 PI-18328 [0,1,0,0,1,0|2,0,0]=4 343 B13R2.13083 CC1=CC2=C(C=C1C)OC(=N2)C PI-28246 [0,1,0,0,1,0|2,0,0]=4 344 B13R2.13083 CC1=CC2=C(C=C1N)NC(=O)N2 PI-28744 [0,1,0,0,1,0|2,0,0]=4 345 B13R2.662 C1=CC2=C(C=C1F)NC=C2C=O PI-23602 [0,1,0,0,1,0|2,0,0]=4 346 B13R2.2130 C1=CC(=CC2=C1C(CC2)=O)OC PI-11506 [0,1,0,0,1,0|0,0,2]=4 347 B13R2.5187 Brc1ccc2C(=O)OC(=O)c2c1 PI-22575 [0,1,0,0,1,0|2,0,0]=4 348 B13R2.5187 C1=C(Cl)C=CC2=C1C(OC2=O)=O PI-16083 [0,1,0,0,1,0|2,0,0]=4 349 B13R2.5187 C1=CC2=C(C=C1Br)C(=O)NC2=O PI-22750 [0,1,0,0,1,0|2,0,0]=4 350 B13R2.5187 C1=CC2=C(C=C1F)C(=O)OC2=O PI-10664 [0,1,0,0,1,0|2,0,0]=4 351 B13R2.5187 C1=CC2=C(C=C1N)C(=O)NC2=O PI-12494 [0,1,0,0,1,0|2,0,0]=4 352 B13R2.5187 C1=CC2=C(C=C1O)C(=O)OC2=O PI-45413 [0,1,0,0,1,0|2,0,0]=4 353 B13R2.5187 CC1=CC2=C(C=C1)C(=O)NC2=O PI-33555 [0,1,0,0,1,0|1,0,0]=3 354 B13R2.5187 Cc1ccc2c(c1)C(=O)OC2=O PI-31763 [0,1,0,0,1,0|1,0,0]=3 355 B15R2.1754 COC1=C(O)C=C2OC(=O)C=CC2=C1 PI-41748 [0,2,0,0,0,0|0,0,0]=2 356 B15R2.1754 O=Cc1cc2ccc(cc2nc1Cl)C PI-28753 [0,2,0,0,0,0|2,0,0]=4 357 B15R2.4780 COC1=CC2=C(C=C1)C=C(C=C2)C=O PI-28415 [0,2,0,0,0,0|1,0,0]=3 358 B15R2.4780 COc1ccc2c(c1)ccc(c2)C#N PI-25788 [0,2,0,0,0,0|2,0,0]=4 359 B15R2.4780 COc1ccc2c(c1)ccc(c2)C=C PI-12995 [0,2,0,0,0,0|2,0,0]=4 360 B15R2.4780 COc1ccc2cc(OC)ccc2c1 PI-25663 [0,2,0,0,0,0|1,0,1]=4 361 B15R2.7180 Brc1ccc2cc(ccc2c1)C(=O)O PI-10316 [0,2,0,0,0,0|2,0,0]=4 362 B15R2.7180 C1=CC2=C(C=CC(=O)O2)C=C1[N+](=O)[O-] PI-30411 [0,2,0,0,0,0|1,0,0]=3 363 B15R2.7180 CC1=NC2=C(C=C1)C=C(C=C2)C(=O)O PI-32942 [0,2,0,0,0,0|2,0,0]=4 364 B15R2.7180 Cc1ccc2c(n1)ccc(c2)[N+](=O)[O-] PI-30771 [0,2,0,0,0,0|2,0,0]=4 365 B15R2.7180 Nc1ccc2c(c1)ccc(c2)C(=O)O PI-30081 [0,2,0,0,0,0|2,0,0]=4 366 B15R2.7180 O=C(C1=CC=2C=CC(=O)OC2C=C1)O PI-40145 [0,2,0,0,0,0|0,0,1]=3 367 B15R2.7180 Oc1ccc2cc(ccc2c1)C(=O)O PI-13155 [0,2,0,0,0,0|2,0,0]=4 368 B15R2.10252 CCCC1=CC2=C(C=C1)C=C(C=C2)O PI-28340 [0,2,0,0,0,0|1,0,1]=4 369 B15R2.10252 CCOC1=CC2=C(C=C1)C=C(C=C2)Br PI-44650 [0,2,0,0,0,0|2,0,0]=4 370 B15R2.10252 CCOC1=CC2=C(C=C1)C=C(C=C2)Br PI-44674 [0,2,0,0,0,0|2,0,0]=4 371 B15R2.10252 CCOC1=CC2=C(C=C1)N=C(C=C2)C PI-25777 [0,2,0,0,0,0|2,0,0]=4 372 B15R2.21329 CC1=CC(=C2C=C(C=CC2=N1)OC)Cl PI-25620 [0,2,0,0,0,0|2,0,0]=4 373 B15R2.21329 COc1ccc2c(c1)c(=O)oc(=O)[nH]2 PI-18506 [0,2,0,0,0,0|2,0,0]=4 374 B15R2.59732 C1=C(C=C(C2=C1C(=CC(=O)O2)O)Cl)Cl PI-15405 [0,2,0,0,0,0|1,0,0]=3 375 B15R2.59732 O=C1NC2=C(Br)C=C(C)C=C2C(O1)=O PI-40286 [0,2,0,0,0,0|2,0,0]=4 376 B15R2.63814 CC1=CC2=C(C=C1)N(C(=O)OC2=O)C PI-36617 [0,2,0,0,0,0|2,0,0]=4 377 B15R2.1824 C1=CC2=C(C=C1Br)C=C(C(=O)O2)C#N PI-15395 [0,2,0,0,0,0|1,0,0]=3 378 B15R2.1824 CC1=CC2=C(C=C1)OC(=O)C(=C2)C#N PI-15404 [0,2,0,0,0,0|0,0,0]=2 379 B15R2.1824 O=Cc1cc2cc(C)ccc2nc1Cl PI-15411 [0,2,0,0,0,0|2,0,0]=4 380 B13R2.371 C1=CC=C2C(=C1)C(=CC=C2O)O PI-25685 [0,0,1,1,0,0|2,0,0]=4 381 B13R2.371 CC1=CC=C(C2=CC=CC=C12)Br PI-25776 [0,0,1,1,0,0|2,0,0]=4 382 B13R2.371 Cc1ccc(c2c1cccc2)C PI-25684 [0,0,1,1,0,0|2,0,0]=4 383 B13R2.371 Clc1ccc(c2c1cccc2)O PI-25723 [0,0,1,1,0,0|2,0,0]=4 384 B13R2.371 Oc1ccc(c2c1cccc2)N PI-25713 [0,0,1,1,0,0|2,0,0]=4 385 B13R2.342 Cc1cccc2c1cccc2C PI-25686 [0,0,1,1,0,0|2,0,0]=4 386 B11R1.22 C1=CC(=CC=C1C(=O)C=O)Br PI-41036 [0,0,1,0,1,0|2,0,0]=4 387 B11R1.22 C1=CC(=CC=C1C(=O)C=O)Cl PI-33167 [0,0,1,0,1,0|2,0,0]=4 388 B11R1.22 C1=CC(=CC=C1C(=O)C=O)F PI-41037 [0,0,1,0,1,0|2,0,0]=4 389 B11R1.22 CC1=CC=C(C=C1)C(=O)CBr PI-27801 [0,0,1,0,1,0|1,0,1]=4 390 B11R1.22 CC1=CC=C(C=C1)C(=O)CN PI-30703 [0,0,1,0,1,0|1,0,1]=4 391 B11R1.22 CC1=CC=C(C=C1)C(=O)NN PI-24359 [0,0,1,0,1,0|2,0,0]=4 392 B11R1.22 CC1=CC=C(C=C1)C(=O)OC PI-50597 [0,0,1,0,1,0|1,0,1]=4 393 B11R1.75 OC(=O)\C=C\c1cc(Br)cs1 PI-22619 [0,0,1,0,1,0|2,0,0]=4 394 B11R1.90 CC1=C(N=CN1)C=CC(=O)O PI-36284 [0,0,1,0,1,0|2,0,0]=4 395 B11R1.157 C1=CC(=CC(=C1)Br)CC(=O)O PI-22281 [0,0,1,0,1,0|1,0,1]=4 396 B11R1.157 C1=CC(=CC(=C1)Cl)CC(=O)O PI-16021 [0,0,1,0,1,0|1,0,1]=4 397 B11R1.157 C1=CC(=CC(=C1)I)CC(=O)O PI-30249 [0,0,1,0,1,0|1,0,1]=4 398 B11R1.157 OC(=O)Cc1cccc(c1)F PI-16930 [0,0,1,0,1,0|1,0,1]=4 399 B11R1.157 OC(=O)Cc1cccc(c1)N PI-31063 [0,0,1,0,1,0|1,0,1]=4 400 B11R1.157 OC(=O)Cc1cccc(c1)O PI-11931 [0,0,1,0,1,0|1,0,1]=4 401 B11R1.166 CC1=CC(=C(C=C1)C(=O)C)C PI-11718 [0,0,1,0,1,0|0,0,2]=4 402 B11R1.166 CC1=CC(=C(C=C1)C(=O)N)O PI-28583 [0,0,1,0,1,0|2,0,0]=4 403 B11R1.166 CC1=CC(=C(C=C1)C(=O)O)C PI-16114 [0,0,1,0,1,0|1,0,1]=4 404 B11R1.166 CC1=CC(=C(C=C1)C(=O)O)F PI-18894 [0,0,1,0,1,0|2,0,0]=4 405 B11R1.166 CC1=CC(=C(C=C1)C(=O)O)O PI-15312 [0,0,1,0,1,0|2,0,0]=4 406 B11R1.166 Cc1ccc(c(c1)Br)C(=O)O PI-22123 [0,0,1,0,1,0|2,0,0]=4 407 B11R1.166 Cc1ccc(c(c1)N)C(=O)N PI-30565 [0,0,1,0,1,0|2,0,0]=4 408 B11R1.166 Cc1ccc(c(c1)N)C(=O)O PI-34285 [0,0,1,0,1,0|2,0,0]=4 409 B11R1.166 Cc1ccc(c(c1)O)C(=O)C PI-29847 [0,0,1,0,1,0|1,0,1]=4 410 B11R2.1 C1=CC=C2C(=C1)C(=CN2)Br PI-34828 [1,0,0,0,1,0|2,0,0]=4 411 B11R2.1 C1=CC=C2C(=C1)C(=CO2)Br PI-17445 [1,0,0,0,1,0|2,0,0]=4 412 B11R2.1 C1=CC=C2C(=C1)C(=CS2)Br PI-14249 [1,0,0,0,1,0|2,0,0]=4 413 B11R2.1 C1=CC=C2C(=C1)C(=CS2)O PI-14308 [1,0,0,0,1,0|1,0,1]=4 414 B11R2.1 C1=CC=C2C(=C1)C(=O)NS2 PI-11536 [1,0,0,0,1,0|2,0,0]=4 415 B11R2.1 C1=CC=C2C(=C1)C=CS2=O PI-14312 [1,0,0,0,1,0|1,0,0]=3 416 B11R2.1 C1C(=O)C2=CC=CC=C2O1 PI-27871 [1,0,0,0,1,0|1,0,1]=4 417 B11R2.1 C1C(=O)C2=CC=CC=C2O1 PI-33947 [1,0,0,0,1,0|1,0,1]=4 418 B11R2.1 C1CC(=O)C2=CC=CC=C21 PI-12356 [1,0,0,0,1,0|0,0,2]=4 419 B11R2.1 CC1=CSC2=CC=CC=C12 PI-26140 [1,0,0,0,1,0|2,0,0]=4 420 B11R2.1 Cc1c[nH]c2c1cccc2 PI-10761 [1,0,0,0,1,0|2,0,0]=4 421 B11R2.1 Cn1ccc2ccccc12 PI-11080 [1,0,0,0,1,0|2,0,0]=4 422 B11R2.1 O=C1C2=CC=CC=C2SC1 PI-42644 [1,0,0,0,1,0|1,0,1]=4 423 B11R2.1 O=C1OCc2c1cccc2 PI-33738 [1,0,0,0,1,0|1,0,1]=4 424 B11R2.1 O=C1SSC2=CC=CC=C12 PI-41753 [1,0,0,0,1,0|2,0,0]=4 425 B11R2.10 C1=CC2=C(NC(=O)O2)N=C1 PI-13499 [1,0,0,0,1,0|2,0,0]=4 426 B11R2.10 C1=CC=C2C(=C1)C=C(O2)Br PI-45424 [1,0,0,0,1,0|1,0,0]=3 427 B11R2.10 C1=CC=C2C(=C1)C=C(S2)Br PI-40410 [1,0,0,0,1,0|1,1,0]=4 428 B11R2.10 C1=CC=C2C(=C1)NC(=S)O2 PI-32430 [1,0,0,0,1,0|1,1,0]=4 429 B11R2.10 C1C(=O)CC2=CC=CC=C21 PI-11611 [1,0,0,0,1,0|1,0,1]=4 430 B11R2.10 C1C2=CC=CC=C2C=C1Br PI-24035 [1,0,0,0,1,0|2,0,0]=4 431 B11R2.10 CC1=CC2=CC=CC=C2C1 PI-30321 [1,0,0,0,1,0|1,0,1]=4 432 B11R2.10 CC1=CC2=CC=CC=C2N1 PI-31662 [1,0,0,0,1,0|2,0,0]=4 433 B11R2.10 CC1=CC2=CC=CC=C2S1 PI-29081 [1,0,0,0,1,0|1,1,0]=4 434 B11R2.10 CC1=NC2=CC=CC=C2O1 PI-11866 [1,0,0,0,1,0|2,0,0]=4 435 B11R2.10 Clc1nc2ccccc2o1 PI-33937 [1,0,0,0,1,0|2,0,0]=4 436 B11R2.10 Ic1cc2c(s1)cccc2 PI-38228 [1,0,0,0,1,0|1,1,0]=4 437 B11R2.10 Nc1nc2ccccc2o1 PI-17283 [1,0,0,0,1,0|2,0,0]=4 438 B11R2.10 O=C1Cc2c(N1)cccc2 PI-11084 [1,0,0,0,1,0|1,0,1]=4 439 B11R2.10 O=C1Cc2ccccc2O1 PI-18682 [1,0,0,0,1,0|0,0,1]=3 440 B11R2.10 O=c1oc2ccccc2[nH]1 PI-11480 [1,0,0,0,1,0|1,0,0]=3 441 B11R2.10 O=c1sc2ccccc2[nH]1 PI-12052 [1,0,0,0,1,0|1,1,0]=4 442 B11R2.36 BrC1=CC2=C(C=CS2)C=C1 PI-39747 [1,0,0,0,1,0|2,0,0]=4 443 B11R2.36 Brc1ccc2[nH]ccc2c1 PI-20323 [1,0,0,0,1,0|2,0,0]=4 444 B11R2.36 Brc1ccc2c(c1)[nH]cc2 PI-10006 [1,0,0,0,1,0|2,0,0]=4 445 B11R2.36 Brc1ccc2c(c1)ccs2 PI-29626 [1,0,0,0,1,0|1,1,0]=4 446 B11R2.36 C1=C2C(=CC=C1C)[NH]C=C2 PI-10262 [1,0,0,0,1,0|1,0,0]=3 447 B11R2.36 C1=CC(=CC2=C1C=CN2)F PI-10018 [1,0,0,0,1,0|2,0,0]=4 448 B11R2.36 C1=CC(=CC2=C1C=CN2)N PI-16826 [1,0,0,0,1,0|2,0,0]=4 449 B11R2.36 C1=CC2=C(C=C1Cl)N=CO2 PI-12027 [1,0,0,0,1,0|2,0,0]=4 450 B11R2.36 C1=CC2=C(C=CN2)C=C1F PI-10017 [1,0,0,0,1,0|2,0,0]=4 451 B11R2.36 C1=CC2=C(C=CO2)C=C1Br PI-19337 [1,0,0,0,1,0|1,0,0]=3 452 B11R2.36 C1=CC2=C(C=CS2)C=C1Cl PI-14313 [1,0,0,0,1,0|1,1,0]=4 453 B11R2.36 C1=CC2=C(C=CS2)C=C1N PI-29314 [1,0,0,0,1,0|1,1,0]=4 454 B11R2.36 CC1=CC2=C(C=C1)N=CN2 PI-29770 [1,0,0,0,1,0|2,0,0]=4 455 B11R2.36 CC1=CC2=C(C=C1)N=CS2 PI-45360 [1,0,0,0,1,0|2,0,0]=4 456 B11R2.36 CC1=CC2=C(C=C1)OC=N2 PI-10825 [1,0,0,0,1,0|1,0,0]=3 457 B11R2.36 CC1=CC2=C(C=N1)C=CN2 PI-36829 [1,0,0,0,1,0|2,0,0]=4 458 B11R2.36 CC1=CC=C2SC=CC2=C1 PI-14225 [1,0,0,0,1,0|0,1,0]=3 459 B11R2.36 CC1=CC=C2[NH]N=CC2=C1 PI-41809 [1,0,0,0,1,0|2,0,0]=4 460 B11R2.36 Cc1ccc2c(c1)[nH]cc2 PI-16265 [1,0,0,0,1,0|1,0,0]=3 461 B11R2.36 ClC1=CC2=C(C=C1)C=CN2 PI-20431 [1,0,0,0,1,0|2,0,0]=4 462 B11R2.36 Clc1ccc2c(c1)cc[nH]2 PI-10008 [1,0,0,0,1,0|2,0,0]=4 463 B11R2.36 Ic1ccc2[nH]ccc2c1 PI-29169 [1,0,0,0,1,0|2,0,0]=4 464 B11R2.36 NC1=CC=C2OC=CC2=C1 PI-40038 [1,0,0,0,1,0|1,0,0]=3 465 B11R2.36 Nc1ccc2c(c1)cc[nH]2 PI-16447 [1,0,0,0,1,0|2,0,0]=4 466 B11R2.36 Oc1ccc2[nH]ccc2c1 PI-10314 [1,0,0,0,1,0|2,0,0]=4 467 B11R2.36 Oc1ccc2cc[nH]c2c1 PI-16028 [1,0,0,0,1,0|2,0,0]=4