0 B14R2.28472 CC1=C2C=C(C(=CC2=CC=C1)C)C PI-18357 [0,0,0,0,0,0|3,0,0]=3 1 B13R2.162 C1=CC2=C(C=C(C=C2)O)C(=C1)Br PI-45478 [1,0,0,0,0,0|2,0,0]=3 2 B13R2.162 C1=CC2=C(C=C(C=C2)O)C(=C1)O PI-11684 [1,0,0,0,0,0|2,0,0]=3 3 B13R2.162 CC1=C2C(=CC=C1)C=CC(=N2)C PI-11772 [1,0,0,0,0,0|3,0,0]=4 4 B13R2.162 CC1=C2C=C(C=CC2=CC=C1)O PI-49019 [1,0,0,0,0,0|1,0,0]=2 5 B13R2.162 CC1=CC2=C(C=CC=C2C=C1)C PI-18703 [1,0,0,0,0,0|2,0,0]=3 6 B13R2.162 OC1=CC=C2C=CC=C(N)C2=C1 PI-25075 [1,0,0,0,0,0|2,0,0]=3 7 B13R2.369 C1=CC=C2C(=C1)C=C(C(=N2)Br)Br PI-50065 [1,0,0,0,0,0|2,0,1]=4 8 B13R2.369 C1=CC=C2C=C(C(=CC2=C1)Br)Br PI-18146 [1,0,0,0,0,0|3,0,0]=4 9 B13R2.369 C1=CC=C2C=C(C(=CC2=C1)N)O PI-25656 [1,0,0,0,0,0|2,0,0]=3 10 B13R2.369 CC1=CC2=CC=CC=C2N=C1Cl PI-29715 [1,0,0,0,0,0|2,0,1]=4 11 B13R2.369 Cc1cc2ccccc2cc1C PI-25704 [1,0,0,0,0,0|3,0,0]=4 12 B13R2.369 NC1=C(C)N=C2C=CC=CC2=C1 PI-46688 [1,0,0,0,0,0|2,0,1]=4 13 B13R2.369 Nc1cc2ccccc2cc1N PI-25833 [1,0,0,0,0,0|3,0,0]=4 14 B13R2.369 O=c1oc2ccccc2cc1N PI-17434 [1,0,0,0,0,0|2,0,0]=3 15 B13R2.369 Oc1cc2ccccc2cc1O PI-32469 [1,0,0,0,0,0|1,0,1]=3 16 B13R2.5179 C1=CC2=C(C=CC(=C2)O)C(=C1)O PI-32101 [1,0,0,0,0,0|2,0,1]=4 17 B13R2.5179 C1CC(=O)NC2=C1C(=CC=C2)O PI-42918 [1,0,0,0,0,0|1,0,2]=4 18 B13R2.5179 CC1=CC2=CC=CC(=C2C=C1)C PI-25698 [1,0,0,0,0,0|2,0,0]=3 19 B13R2.5179 CC1=CC=C2C(N)=CC=CC2=N1 PI-37296 [1,0,0,0,0,0|2,0,1]=4 20 B13R2.5179 CC1=NC2=C(C=C1)C(=CC=C2)Cl PI-33672 [1,0,0,0,0,0|2,0,1]=4 21 B13R2.5179 Nc1ccc2c(O)cccc2c1 PI-18377 [1,0,0,0,0,0|3,0,0]=4 22 B13R2.5179 Oc1ccc2c(c1)cccc2N PI-18951 [1,0,0,0,0,0|2,0,1]=4 23 B15R2.63633 CC1=C2C=C(C(=CC2=C(C=C1)C)C)C PI-18168 [0,1,0,0,0,0|3,0,0]=4 24 B13R2.4825 C1=CC=C(Br)C2=C1C(=O)C(=O)N2 PI-35969 [0,0,0,0,1,0|2,0,1]=4 25 B13R2.4825 C1=CC=C(C2=C1C(C(=O)N2)=O)Cl PI-10411 [0,0,0,0,1,0|2,0,1]=4 26 B13R2.4825 O=C1Nc2c(F)cccc2C1=O PI-28370 [0,0,0,0,1,0|2,0,1]=4 27 B13R2.4825 O=C1Nc2c(I)cccc2C1=O PI-35973 [0,0,0,0,1,0|2,0,1]=4 28 B13R2.4856 C1=CC2=C(C(=C1)Br)C(=O)C(=O)N2 PI-35975 [0,0,0,0,1,0|1,0,1]=3 29 B13R2.4856 FC1=C2C(=CC=C1)NC(C2=O)=O PI-40288 [0,0,0,0,1,0|1,0,1]=3 30 B13R2.4856 O=C1Nc2cccc(I)c2C1=O PI-35976 [0,0,0,0,1,0|1,0,1]=3 31 B12R1.224 Cc1c(CC(=O)O)cccc1C PI-13241 [1,0,1,0,0,0|1,0,1]=4 32 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 33 B12R1.43 CC(=CC1=CC=CC=C1)C(=O)Cl PI-24345 [1,0,1,0,0,0|2,0,0]=4 34 B12R1.43 CC(=CC1=CC=CC=C1)C(=O)O PI-25085 [1,0,1,0,0,0|2,0,0]=4 35 B12R1.43 CC(C(OC1=CC=CC=C1)=O)=C PI-40378 [1,0,1,0,0,0|2,0,0]=4 36 B12R1.43 CN(C(=O)NC1=CC=CC=C1)O PI-20818 [1,0,1,0,0,0|1,0,1]=4 37 B12R1.43 O=C(C(=O)O)Cc1ccccc1 PI-12929 [1,0,1,0,0,0|2,0,0]=4 38 B12R1.226 CC1=CC(=CC=C1)C=CC(=O)O PI-30448 [1,0,1,0,0,0|2,0,0]=4 39 B12R1.125 C1=CC=C(C(=C1)C=CC(=O)Cl)Cl PI-20015 [1,0,1,0,0,0|2,0,0]=4 40 B12R1.125 C1=CC=C(C(=C1)C=CC(=O)O)Cl PI-23702 [1,0,1,0,0,0|2,0,0]=4 41 B12R1.125 C1=CC=C(C(=C1)C=CC(=O)O)F PI-31196 [1,0,1,0,0,0|2,0,0]=4 42 B12R1.125 O=C(O)\C=C\C1=CC=CC=C1O PI-11520 [1,0,1,0,0,0|2,0,0]=4 43 B12R1.125 OC(=O)\C=C\c1ccccc1C PI-11522 [1,0,1,0,0,0|1,0,0]=3 44 B12R1.1631 C1=CC(=C(C(=C1)F)C=CC=O)F PI-10639 [1,0,1,0,0,0|2,0,0]=4 45 B12R2.24 Brc1ccc2ccccc2c1 PI-11812 [2,0,0,0,0,0|2,0,0]=4 46 B12R2.24 C1=CC(=CC2=C1C=CN=C2)O PI-17780 [2,0,0,0,0,0|2,0,0]=4 47 B12R2.24 C1=CC2=CC(=O)NC=C2C=C1 PI-29911 [2,0,0,0,0,0|2,0,0]=4 48 B12R2.24 C1=CC=C2C(=C1)C=C(C=N2)Br PI-16426 [2,0,0,0,0,0|1,0,1]=4 49 B12R2.24 C1=CC=C2C(=C1)C=C(C=N2)O PI-35162 [2,0,0,0,0,0|0,0,1]=3 50 B12R2.24 C1=CC=C2C(=C1)C=CC(=N2)Br PI-29304 [2,0,0,0,0,0|1,0,1]=4 51 B12R2.24 C1=CC=C2C(=C1)C=CC(=N2)N PI-11108 [2,0,0,0,0,0|1,0,1]=4 52 B12R2.24 C1=CC=C2C(=C1)C=CC(=S)N2 PI-29414 [2,0,0,0,0,0|0,1,0]=3 53 B12R2.24 C1=CC=C2C(=C1)NC(=O)C=N2 PI-49857 [2,0,0,0,0,0|1,0,0]=3 54 B12R2.24 C1=CC=C2C=C(C=CC2=C1)Cl PI-24669 [2,0,0,0,0,0|2,0,0]=4 55 B12R2.24 C1C(=O)NC2=CC=CC=C2N1 PI-50558 [2,0,0,0,0,0|1,0,1]=4 56 B12R2.24 CC1=CC2=CC=CC=C2N=C1 PI-16429 [2,0,0,0,0,0|1,0,1]=4 57 B12R2.24 Cc1ccc2c(n1)cccc2 PI-11867 [2,0,0,0,0,0|1,0,1]=4 58 B12R2.24 Clc1ccc2ccccc2n1 PI-16418 [2,0,0,0,0,0|1,0,1]=4 59 B12R2.24 FC1=CC=C2C=CC=CC2=C1 PI-37208 [2,0,0,0,0,0|2,0,0]=4 60 B12R2.24 Ic1ccc2c(c1)cccc2 PI-18754 [2,0,0,0,0,0|2,0,0]=4 61 B12R2.24 Nc1ccc2c(c1)cccc2 PI-25969 [2,0,0,0,0,0|2,0,0]=4 62 B12R2.24 Nc1cnc2ccccc2c1 PI-29717 [2,0,0,0,0,0|1,0,1]=4 63 B12R2.24 O=C1CCc2c(N1)cccc2 PI-29698 [2,0,0,0,0,0|0,0,2]=4 64 B12R2.24 O=C1CSc2c(N1)cccc2 PI-14812 [2,0,0,0,0,0|1,0,1]=4 65 B12R2.24 Oc1ccc2c(c1)cccn2 PI-11465 [2,0,0,0,0,0|2,0,0]=4 66 B12R2.24 Oc1ccc2c(c1)nccc2 PI-12046 [2,0,0,0,0,0|2,0,0]=4 67 B12R2.24 Oc1ccc2c(n1)cccc2 PI-17352 [2,0,0,0,0,0|0,0,2]=4 68 B12R2.24 Oc1ccc2cnccc2c1 PI-34184 [2,0,0,0,0,0|2,0,0]=4 69 B12R2.24 SC1=CC=C2C=CC=CC2=C1 PI-25970 [2,0,0,0,0,0|1,1,0]=4 70 B12R2.1081 Brc1cccc2ccccc12 PI-34202 [2,0,0,0,0,0|2,0,0]=4 71 B12R2.1081 C1=CC2=C(C=CC=N2)C(=C1)I PI-48538 [2,0,0,0,0,0|1,0,1]=4 72 B12R2.1081 C1=CC=C(C2=CC=CN=C12)Br PI-29629 [2,0,0,0,0,0|1,0,1]=4 73 B12R2.1081 C1=CC=C2C(=C1)C=CC=C2S PI-18636 [2,0,0,0,0,0|2,0,0]=4 74 B12R2.1081 CC1=C2C=CC=NC2=CC=C1 PI-48532 [2,0,0,0,0,0|0,0,1]=3 75 B12R2.1081 Cc1ccnc2ccccc12 PI-16520 [2,0,0,0,0,0|2,0,0]=4 76 B12R2.1081 Cc1nccc2ccccc12 PI-29203 [2,0,0,0,0,0|2,0,0]=4 77 B12R2.1081 ClC1=C2C=CC=NC2=CC=C1 PI-29809 [2,0,0,0,0,0|1,0,1]=4 78 B12R2.1081 Clc1cccc2ccccc12 PI-32014 [2,0,0,0,0,0|2,0,0]=4 79 B12R2.1081 Fc1cccc2ccccc12 PI-28374 [2,0,0,0,0,0|2,0,0]=4 80 B12R2.1081 IC1=CC=CC2=C1C=CC=C2 PI-10978 [2,0,0,0,0,0|2,0,0]=4 81 B12R2.1081 NC1=C2C=CC=NC2=CC=C1 PI-28683 [2,0,0,0,0,0|1,0,1]=4 82 B12R2.1081 Oc1cccc2ncccc12 PI-29714 [2,0,0,0,0,0|1,0,1]=4 83 B14R2.142 CC1=C2C=C(C=CC2=NC=C1)OC PI-25550 [1,1,0,0,0,0|2,0,0]=4 84 B14R2.4513 C1=CC(=CC2=C1C=CC(=C2F)F)O PI-34367 [1,1,0,0,0,0|2,0,0]=4 85 B14R2.11684 BrCc1cccc2ccc(F)cc12 PI-35152 [1,1,0,0,0,0|2,0,0]=4 86 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 87 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 88 B14R2.28480 C1=CC2=C(C(=C1)F)C(=O)NC(=O)N2 PI-36207 [1,1,0,0,0,0|2,0,0]=4 89 B14R2.28480 O=c1[nH]c2cccc(Br)c2c(=O)[nH]1 PI-36084 [1,1,0,0,0,0|2,0,0]=4 90 B14R2.8620 CC1=C2C(=C(C=C1)Br)C(=O)C(=O)N2 PI-11532 [0,1,0,0,1,0|1,0,1]=4 91 B14R2.8620 CC1=C2C(=C(C=C1)Cl)C(=O)C(=O)N2 PI-34469 [0,1,0,0,1,0|1,0,1]=4 92 B14R2.8620 CC1=C2C(=C(C=C1)F)C(=O)C(=O)N2 PI-34493 [0,1,0,0,1,0|1,0,1]=4 93 B14R2.8737 CC1=C(C=CC2=C1NC(=O)C2=O)F PI-34470 [0,1,0,0,1,0|1,0,1]=4 94 B14R2.9184 CC1=CC(=CC2=C1NC(=O)C2=O)Cl PI-11533 [0,1,0,0,1,0|1,0,1]=4 95 B14R2.9184 O=C1NC2=C(C=C(F)C=C2C)C1=O PI-34495 [0,1,0,0,1,0|1,0,1]=4 96 B14R2.11645 CCc1cccc2C(=O)C(=O)Nc12 PI-28927 [0,1,0,0,1,0|1,0,1]=4 97 B14R2.11645 COC1=CC=CC2=C1NC(=O)C2=O PI-44590 [0,1,0,0,1,0|1,0,1]=4 98 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 99 B14R2.4506 O=C1NC2=C(C(Cl)=C(F)C=C2)C1=O PI-39891 [0,1,0,0,1,0|1,0,1]=4 100 B14R2.27750 Fc1cc2NC(=O)C(=O)c2c(F)c1 PI-35978 [0,1,0,0,1,0|1,0,1]=4 101 B14R2.7969 CC1=C2C(=CC=C1)NC(=N2)C(=O)O PI-34760 [0,0,1,1,0,0|2,0,0]=4 102 B14R2.7969 OC(=O)c1cc2c(C)cccc2[nH]1 PI-22816 [0,0,1,1,0,0|2,0,0]=4 103 B14R2.781 O=C(N)C1=CC=C2C=CC=CC2=C1 PI-18356 [0,0,1,1,0,0|1,0,1]=4 104 B12R2.132 CC1=COC2=C1C=C(C=C2)O PI-44179 [1,0,0,0,1,0|2,0,0]=4 105 B12R2.132 Oc1ccc2c(c1)c(C)c[nH]2 PI-36560 [1,0,0,0,1,0|2,0,0]=4 106 B12R2.202 CC1=CC2=C(N1)C=CC=C2O PI-18492 [1,0,0,0,1,0|2,0,0]=4 107 B12R2.18 Cc1[nH]c2ccccc2c1C PI-11086 [1,0,0,0,1,0|2,0,0]=4 108 B12R2.18 O=C1C(=O)Nc2ccccc12 PI-31744 [1,0,0,0,1,0|0,0,1]=3 109 B12R2.196 CC1=C2CCC(=O)C2=CC=C1 PI-42676 [1,0,0,0,1,0|0,0,2]=4