0 B14R2.8239 O=c1ccc2c(o1)cc(c(c2)O)O PI-11466 [0,0,0,0,0,0|3,0,1]=4 1 B13R2.155 BrC1=CC2=CC(=CC=C2C=C1)Br PI-40219 [1,0,0,0,0,0|2,1,0]=4 2 B13R2.155 C1=CC(=CC2=C1C=CC(=C2)Br)O PI-39114 [1,0,0,0,0,0|1,1,0]=3 3 B13R2.155 C1=CC(=CC2=C1C=CC(=C2)O)O PI-32100 [1,0,0,0,0,0|2,0,0]=3 4 B13R2.155 C1=CC(=CC2=C1C=CC(=N2)Cl)Br PI-48167 [1,0,0,0,0,0|3,0,0]=4 5 B13R2.155 C1=CC(=CC2=C1C=CC(=O)O2)O PI-10445 [1,0,0,0,0,0|3,0,0]=4 6 B13R2.155 C1=CC2=NC=C(C=C2C=C1Br)O PI-45733 [1,0,0,0,0,0|0,1,1]=3 7 B13R2.155 Cc1ccc2c(c1)cc(cc2)C PI-23889 [1,0,0,0,0,0|3,0,0]=4 8 B13R2.155 Oc1ccc2ccc(O)nc2c1 PI-13540 [1,0,0,0,0,0|3,0,0]=4 9 B13R2.155 SC1=CC=C2C=CC(S)=CC2=C1 PI-18854 [1,0,0,0,0,0|2,1,0]=4 10 B13R2.369 C1=CC=C2C(=C1)C=C(C(=N2)Br)Br PI-50065 [1,0,0,0,0,0|2,0,1]=4 11 B13R2.369 C1=CC=C2C=C(C(=CC2=C1)Br)Br PI-18146 [1,0,0,0,0,0|3,0,0]=4 12 B13R2.369 C1=CC=C2C=C(C(=CC2=C1)N)O PI-25656 [1,0,0,0,0,0|2,0,0]=3 13 B13R2.369 CC1=CC2=CC=CC=C2N=C1Cl PI-29715 [1,0,0,0,0,0|2,0,1]=4 14 B13R2.369 Cc1cc2ccccc2cc1C PI-25704 [1,0,0,0,0,0|3,0,0]=4 15 B13R2.369 NC1=C(C)N=C2C=CC=CC2=C1 PI-46688 [1,0,0,0,0,0|2,0,1]=4 16 B13R2.369 Nc1cc2ccccc2cc1N PI-25833 [1,0,0,0,0,0|3,0,0]=4 17 B13R2.369 O=c1oc2ccccc2cc1N PI-17434 [1,0,0,0,0,0|2,0,0]=3 18 B13R2.369 Oc1cc2ccccc2cc1O PI-32469 [1,0,0,0,0,0|1,0,1]=3 19 B13R2.3683 BrC1=CC2=CC=C(Br)C=C2C=C1 PI-37059 [1,0,0,0,0,0|2,1,0]=4 20 B13R2.3683 C1=CC2=C(C=CC(=C2)Cl)C=C1O PI-36575 [1,0,0,0,0,0|1,0,1]=3 21 B13R2.3683 C1=CC2=C(C=CC(=N2)Cl)C=C1Br PI-25270 [1,0,0,0,0,0|1,1,1]=4 22 B13R2.3683 C1=CC2=C(C=CC(=O)N2)C=C1Br PI-35473 [1,0,0,0,0,0|0,1,0]=2 23 B13R2.3683 CC1=CC2=C(C=C1)N=C(C=C2)Br PI-35456 [1,0,0,0,0,0|2,0,1]=4 24 B13R2.3683 CC1=NC2=C(C=C1)C=C(C=C2)Cl PI-29974 [1,0,0,0,0,0|1,0,1]=3 25 B13R2.3683 CC1=NC2=C(C=C1)C=C(C=C2)N PI-30830 [1,0,0,0,0,0|2,0,1]=4 26 B13R2.3683 CC1=NC2=C(C=C1)C=C(C=C2)O PI-29761 [1,0,0,0,0,0|2,0,1]=4 27 B13R2.3683 Cc1ccc2c(c1)ccc(=O)o2 PI-36976 [1,0,0,0,0,0|2,0,0]=3 28 B13R2.3683 Cc1ccc2cc(Br)ccc2n1 PI-14483 [1,0,0,0,0,0|1,1,1]=4 29 B13R2.3683 Cc1ccc2nc(C)ccc2c1 PI-11770 [1,0,0,0,0,0|2,0,1]=4 30 B13R2.3683 Clc1ccc2c(c1)ccc(c2)Cl PI-16536 [1,0,0,0,0,0|2,0,0]=3 31 B13R2.3683 Clc1ccc2c(c1)ncc(n2)Cl PI-11765 [1,0,0,0,0,0|2,0,1]=4 32 B13R2.3683 Fc1ccc2nc(C)ccc2c1 PI-28059 [1,0,0,0,0,0|1,1,1]=4 33 B13R2.3683 O=C1CCc2c(N1)ccc(c2)N PI-34829 [1,0,0,0,0,0|1,0,2]=4 34 B13R2.3683 O=C1CCc2c(N1)ccc(c2)O PI-22828 [1,0,0,0,0,0|1,0,2]=4 35 B13R2.3683 O=C1COc2c(N1)ccc(c2)F PI-39020 [1,0,0,0,0,0|1,1,1]=4 36 B13R2.3683 Oc1ccc2c(c1)ccc(=O)o2 PI-10446 [1,0,0,0,0,0|2,0,0]=3 37 B13R2.3683 Oc1ccc2c(c1)ccc(n2)Cl PI-39000 [1,0,0,0,0,0|2,0,1]=4 38 B13R2.3683 Oc1ccc2c(c1)ccc(n2)O PI-38999 [1,0,0,0,0,0|1,0,2]=4 39 B13R2.3683 Oc1ccc2cc(Br)ccc2c1 PI-12042 [1,0,0,0,0,0|1,1,1]=4 40 B13R2.3683 Oc1ccc2cc(O)ccc2c1 PI-10866 [1,0,0,0,0,0|2,0,1]=4 41 B15R2.1824 C1=CC2=C(C=C1Br)C=C(C(=O)O2)C#N PI-15395 [0,1,0,0,0,0|2,1,0]=4 42 B15R2.1824 CC1=CC2=C(C=C1)OC(=O)C(=C2)C#N PI-15404 [0,1,0,0,0,0|3,0,0]=4 43 B15R2.62227 Oc1cc2cc(O)c(cc2cc1Br)Br PI-40582 [0,1,0,0,0,0|3,0,0]=4 44 B13R1.133 C1=CC(=CC=C1N)NC(=O)C(=O)O PI-30042 [0,0,1,0,0,0|2,0,0]=3 45 B13R2.3028 C1=CC2=C(C=C1Br)C(=O)C(=O)N2 PI-20345 [0,0,0,0,1,0|0,1,1]=3 46 B13R2.3028 C1=CC2=C(C=C1Cl)C(=O)C(=O)N2 PI-11529 [0,0,0,0,1,0|0,0,1]=2 47 B13R2.3028 CC1=C(SC2=C1C=C(C=C2)Cl)Br PI-20645 [0,0,0,0,1,0|3,0,0]=4 48 B13R2.3028 Cc1ccc2c(c1)C(=O)C(=O)N2 PI-11530 [0,0,0,0,1,0|1,0,1]=3 49 B13R2.3028 Fc1ccc2c(c1)C(=O)C(=O)N2 PI-22671 [0,0,0,0,1,0|0,1,1]=3 50 B13R2.3028 Ic1ccc2c(c1)C(=O)C(=O)N2 PI-18328 [0,0,0,0,1,0|0,1,1]=3 51 B13R2.5190 C1=CC2=C(C=C1Br)NC(=O)C2=O PI-44938 [0,0,0,0,1,0|1,1,1]=4 52 B13R2.5190 C1=CC2=C(C=C1F)NC(=O)C2=O PI-40287 [0,0,0,0,1,0|1,1,1]=4 53 B13R2.5190 Clc1ccc2c(c1)NC(=O)C2=O PI-10574 [0,0,0,0,1,0|1,0,1]=3 54 B13R2.5190 Ic1ccc2c(c1)NC(=O)C2=O PI-35977 [0,0,0,0,1,0|1,1,1]=4 55 B13R2.5190 O=C1C(C)CC2=C1C=CC(Cl)=C2 PI-40270 [0,0,0,0,1,0|1,0,2]=4 56 B12R1.21 OC(=O)\C=C\c1ccc(cc1)Cl PI-11979 [1,0,1,0,0,0|2,0,0]=4 57 B12R1.43 C1=CC=C(C=C1)C=C(C(=O)O)F PI-25464 [1,0,1,0,0,0|2,0,0]=4 58 B12R1.43 CC(=CC1=CC=CC=C1)C(=O)Cl PI-24345 [1,0,1,0,0,0|2,0,0]=4 59 B12R1.43 CC(=CC1=CC=CC=C1)C(=O)O PI-25085 [1,0,1,0,0,0|2,0,0]=4 60 B12R1.43 CC(C(OC1=CC=CC=C1)=O)=C PI-40378 [1,0,1,0,0,0|2,0,0]=4 61 B12R1.43 CN(C(=O)NC1=CC=CC=C1)O PI-20818 [1,0,1,0,0,0|1,0,1]=4 62 B12R1.43 O=C(C(=O)O)Cc1ccccc1 PI-12929 [1,0,1,0,0,0|2,0,0]=4 63 B12R1.49 C1=CC(=CC=C1NC(=O)CCl)Cl PI-20206 [1,0,1,0,0,0|1,0,1]=4 64 B12R1.49 FC1=CC=C(CC(=O)C=C)C=C1 PI-36344 [1,0,1,0,0,0|1,1,0]=4 65 B12R1.226 C1=CC(=CC(=C1)Cl)C=CC(=O)O PI-11920 [1,0,1,0,0,0|1,0,0]=3 66 B12R1.226 C1=CC(=CC(=C1)F)C=CC(=O)O PI-31202 [1,0,1,0,0,0|1,1,0]=4 67 B12R1.226 C1=CC(=CC(=C1)O)C=CC(=O)O PI-11521 [1,0,1,0,0,0|2,0,0]=4 68 B12R1.226 CC1=CC(=CC=C1)C=CC(=O)O PI-30448 [1,0,1,0,0,0|2,0,0]=4 69 B12R1.226 OC(=O)\C=C\c1cccc(c1)Br PI-20686 [1,0,1,0,0,0|1,1,0]=4 70 B12R1.127 OC(=O)Cc1cc(Cl)ccc1Br PI-20652 [1,0,1,0,0,0|1,0,1]=4 71 B12R1.233 C1=CC(=C(C=C1Cl)Cl)CC(=O)O PI-11746 [1,0,1,0,0,0|2,0,0]=4 72 B12R1.233 CC1=C(C=CC(=C1)Cl)NC(=O)C PI-20149 [1,0,1,0,0,0|0,0,2]=4 73 B12R1.233 OC(=O)Cc1ccc(cc1Br)Cl PI-38895 [1,0,1,0,0,0|2,0,0]=4 74 B12R2.24 BrC1=CC=C2N=CC=CC2=C1 PI-41127 [2,0,0,0,0,0|0,1,1]=4 75 B12R2.24 Brc1ccc2ccccc2c1 PI-11812 [2,0,0,0,0,0|1,1,0]=4 76 B12R2.24 C1=CC(=CC2=C1C=CN=C2)O PI-17780 [2,0,0,0,0,0|2,0,0]=4 77 B12R2.24 C1=CC2=C(C=CC(=C2)Br)N=C1 PI-29666 [2,0,0,0,0,0|0,1,1]=4 78 B12R2.24 C1=CC2=C(C=CC(=C2)Cl)N=C1 PI-11112 [2,0,0,0,0,0|0,0,1]=3 79 B12R2.24 C1=CC2=C(C=CC(=N2)Cl)N=C1 PI-45472 [2,0,0,0,0,0|1,0,1]=4 80 B12R2.24 C1=CC2=CC(=O)NC=C2C=C1 PI-29911 [2,0,0,0,0,0|2,0,0]=4 81 B12R2.24 C1=CC=C2C(=C1)C=C(C=N2)Br PI-16426 [2,0,0,0,0,0|1,0,1]=4 82 B12R2.24 C1=CC=C2C(=C1)C=C(C=N2)O PI-35162 [2,0,0,0,0,0|0,0,1]=3 83 B12R2.24 C1=CC=C2C(=C1)C=CC(=N2)Br PI-29304 [2,0,0,0,0,0|1,0,1]=4 84 B12R2.24 C1=CC=C2C(=C1)C=CC(=N2)N PI-11108 [2,0,0,0,0,0|1,0,1]=4 85 B12R2.24 C1=CC=C2C(=C1)C=CC(=S)N2 PI-29414 [2,0,0,0,0,0|0,1,0]=3 86 B12R2.24 C1=CC=C2C(=C1)NC(=O)C=N2 PI-49857 [2,0,0,0,0,0|1,0,0]=3 87 B12R2.24 C1=CC=C2C=C(C=CC2=C1)Cl PI-24669 [2,0,0,0,0,0|1,0,0]=3 88 B12R2.24 C1C(=O)NC2=CC=CC=C2N1 PI-50558 [2,0,0,0,0,0|1,0,1]=4 89 B12R2.24 CC1=CC2=CC=CC=C2N=C1 PI-16429 [2,0,0,0,0,0|1,0,1]=4 90 B12R2.24 Cc1ccc2c(n1)cccc2 PI-11867 [2,0,0,0,0,0|1,0,1]=4 91 B12R2.24 Clc1ccc2ccccc2n1 PI-16418 [2,0,0,0,0,0|1,0,1]=4 92 B12R2.24 FC1=CC=C2C=CC=CC2=C1 PI-37208 [2,0,0,0,0,0|1,1,0]=4 93 B12R2.24 Ic1ccc2c(c1)cccc2 PI-18754 [2,0,0,0,0,0|1,1,0]=4 94 B12R2.24 Nc1ccc2c(c1)cccc2 PI-25969 [2,0,0,0,0,0|2,0,0]=4 95 B12R2.24 Nc1ccc2c(c1)cccn2 PI-29716 [2,0,0,0,0,0|1,0,1]=4 96 B12R2.24 Nc1cnc2ccccc2c1 PI-29717 [2,0,0,0,0,0|1,0,1]=4 97 B12R2.24 O=C1CCc2c(N1)cccc2 PI-29698 [2,0,0,0,0,0|0,0,2]=4 98 B12R2.24 O=C1CSc2c(N1)cccc2 PI-14812 [2,0,0,0,0,0|1,0,1]=4 99 B12R2.24 Oc1ccc2c(c1)cccn2 PI-11465 [2,0,0,0,0,0|1,0,1]=4 100 B12R2.24 Oc1ccc2c(c1)nccc2 PI-12046 [2,0,0,0,0,0|2,0,0]=4 101 B12R2.24 Oc1ccc2c(n1)cccc2 PI-17352 [2,0,0,0,0,0|0,0,2]=4 102 B12R2.24 Oc1ccc2cnccc2c1 PI-34184 [2,0,0,0,0,0|2,0,0]=4 103 B12R2.24 SC1=CC=C2C=CC=CC2=C1 PI-25970 [2,0,0,0,0,0|1,1,0]=4 104 B14R2.134 COc1ccc2ccc(O)cc2c1 PI-18595 [1,1,0,0,0,0|2,0,0]=4 105 B14R2.4513 C1=CC(=CC2=C1C=CC(=C2F)F)O PI-34367 [1,1,0,0,0,0|1,1,0]=4 106 B14R2.1128 C1=CC=C2C(=C1)C=C(C(=O)O2)C#N PI-15401 [1,1,0,0,0,0|2,0,0]=4 107 B14R2.8188 C1=CC=C2C(=C1)C(=C(C(=O)N2)Cl)O PI-32633 [1,1,0,0,0,0|1,0,0]=3 108 B14R2.2332 O=Cc1ccc2c(c1)ccc(c2)O PI-28822 [1,1,0,0,0,0|2,0,0]=4 109 B14R2.8235 Brc1ccc2[nH]c(=O)[nH]c(=O)c2c1 PI-36145 [1,1,0,0,0,0|1,1,0]=4 110 B14R2.8235 Brc1ccc2c(c1)c(O)cc(=O)o2 PI-15397 [1,1,0,0,0,0|1,1,0]=4 111 B14R2.8235 C1=CC2=C(C=C1Br)C(=O)OC(=O)N2 PI-14459 [1,1,0,0,0,0|1,1,0]=4 112 B14R2.8235 C1=CC2=C(C=C1Cl)C(=O)OC(=O)N2 PI-18561 [1,1,0,0,0,0|1,0,0]=3 113 B14R2.8235 C1=CC2=C(C=C1O)C(=O)OC(=O)N2 PI-20780 [1,1,0,0,0,0|2,0,0]=4 114 B14R2.8235 CC1=CC2=C(C=C1)NC(=O)OC2=O PI-18557 [1,1,0,0,0,0|2,0,0]=4 115 B14R2.8235 CC1=CC2=C(C=C1)OC(=O)C=C2O PI-15406 [1,1,0,0,0,0|2,0,0]=4 116 B14R2.8235 Cc1ccc2[nH]c(=O)[nH]c(=O)c2c1 PI-36220 [1,1,0,0,0,0|2,0,0]=4 117 B14R2.8235 Clc1ccc2c(c1)c(O)cc(=O)o2 PI-15400 [1,1,0,0,0,0|1,0,0]=3 118 B14R2.8235 FC1=CC2=C(NC(=O)OC2=O)C=C1 PI-32993 [1,1,0,0,0,0|1,1,0]=4 119 B14R2.8235 Fc1ccc2[nH]c(=O)oc(=O)c2c1 PI-28121 [1,1,0,0,0,0|1,1,0]=4 120 B14R2.645 C1=C2C(=CC(=C1F)Cl)NC(=O)C2=O PI-39893 [0,1,0,0,1,0|0,1,1]=4 121 B14R2.645 CC1=CC2=C(C=C1F)C(=O)C(=O)N2 PI-34494 [0,1,0,0,1,0|0,1,1]=4 122 B14R2.645 CC1=CC2=C(C=C1F)NC(=O)C2=O PI-34496 [0,1,0,0,1,0|1,0,1]=4 123 B14R2.645 O=C1Nc2cc(F)c(F)cc2C1=O PI-36131 [0,1,0,0,1,0|0,1,1]=4 124 B14R2.3274 COC1=CC2=C(C=C1)NC(=O)C2=O PI-29557 [0,1,0,0,1,0|1,0,1]=4 125 B14R2.4506 CC1=C(C2=C(C=C1)NC(=O)C2=O)Br PI-11531 [0,1,0,0,1,0|1,0,1]=4 126 B14R2.4506 O=C1NC2=C(C(Cl)=C(F)C=C2)C1=O PI-39891 [0,1,0,0,1,0|0,1,1]=4 127 B14R2.9184 CC1=CC(=CC2=C1NC(=O)C2=O)Cl PI-11533 [0,1,0,0,1,0|0,0,1]=3 128 B14R2.9184 CC1=CC2=C(C(=C1)F)NC(=O)C2=O PI-34498 [0,1,0,0,1,0|1,0,1]=4 129 B14R2.9184 ClC1=CC(Cl)=C2NC(=O)C(=O)C2=C1 PI-28708 [0,1,0,0,1,0|0,0,1]=3 130 B14R2.9184 O=C1NC2=C(C=C(Br)C=C2Br)C1=O PI-40285 [0,1,0,0,1,0|0,1,1]=4 131 B14R2.9184 O=C1NC2=C(C=C(F)C=C2C)C1=O PI-34495 [0,1,0,0,1,0|0,1,1]=4 132 B16R2.23521 Brc1ccc2c(c1)cc(c(=O)o2)C(=O)O PI-38708 [0,2,0,0,0,0|1,1,0]=4 133 B14R2.4529 Clc1ccc2c(c1)cc([nH]2)C(=O)O PI-20324 [0,0,1,1,0,0|2,0,0]=4 134 B14R2.7969 CC(=O)C1=CC2=C(O1)C(=CC=C2)O PI-26616 [0,0,1,1,0,0|2,0,0]=4 135 B12R1.225 O[C@H](C1=CC=CC(Cl)=C1)C(O)=O PI-37323 [0,0,1,0,1,0|1,0,1]=4 136 B12R1.1703 C1=CC(=C(C=C1Cl)O)C(=O)NO PI-30783 [0,0,1,0,1,0|2,0,0]=4 137 B12R2.132 CC1=CNC2=C1C=C(C=C2)F PI-22695 [1,0,0,0,1,0|1,1,0]=4 138 B12R2.132 CC1=CSC2=C1C=C(C=C2)Cl PI-30258 [1,0,0,0,1,0|2,0,0]=4 139 B12R2.132 ClC1=CC2=C(NN=C2Br)C=C1 PI-46753 [1,0,0,0,1,0|2,0,0]=4 140 B12R2.132 Oc1ccc2c(c1)c(C)c[nH]2 PI-36560 [1,0,0,0,1,0|2,0,0]=4 141 B12R2.606 C1=CC2=C(C=C1Cl)NC(=S)N2 PI-19368 [1,0,0,0,1,0|1,1,0]=4 142 B12R2.606 C1=CC2=C(C=C1Cl)OC(=O)N2 PI-12045 [1,0,0,0,1,0|1,0,1]=4 143 B12R2.606 C1=CC2=C(C=C1Cl)OC(=S)N2 PI-12043 [1,0,0,0,1,0|1,1,0]=4 144 B12R2.606 C1=CC2=C(C=C1Cl)SC(=O)N2 PI-45343 [1,0,0,0,1,0|1,0,1]=4 145 B12R2.606 C1=CC2=C(C=C1Cl)SC(=S)N2 PI-45331 [1,0,0,0,1,0|1,1,0]=4 146 B12R2.606 C1C2=C(C=CC(=C2)Cl)NC1=O PI-10011 [1,0,0,0,1,0|0,0,2]=4 147 B12R2.606 CC1=CC2=C(C=C1)NC(=C2)C PI-23861 [1,0,0,0,1,0|2,0,0]=4 148 B12R2.606 CC1=CC2=C(N1)C=CC(=C2)Br PI-18077 [1,0,0,0,1,0|1,1,0]=4 149 B12R2.606 CC1=CC2=C(N1)C=CC(=C2)F PI-21877 [1,0,0,0,1,0|1,1,0]=4 150 B12R2.606 CC1=CC2=C(N1)C=CC(=C2)N PI-14108 [1,0,0,0,1,0|2,0,0]=4 151 B12R2.606 CC1=CC2=C(N1)C=CC(=C2)O PI-27141 [1,0,0,0,1,0|2,0,0]=4 152 B12R2.606 Clc1ccc2[nH]c(C)cc2c1 PI-27064 [1,0,0,0,1,0|1,0,0]=3 153 B12R2.18 Cc1[nH]c2ccccc2c1C PI-11086 [1,0,0,0,1,0|2,0,0]=4 154 B12R2.18 O=C1C(=O)Nc2ccccc12 PI-31744 [1,0,0,0,1,0|0,0,1]=3 155 B12R2.612 Clc1ccc2C(=O)CCc2c1 PI-31195 [1,0,0,0,1,0|0,0,2]=4 156 B12R2.612 O=C1OCC2=C1C=CC(Cl)=C2 PI-40884 [1,0,0,0,1,0|1,0,1]=4