0 B15R2.33 C1=CC=C(C=C1)C2=C(C=CC(=C2)Br)N PI-50775 [0,0,0,0,0,0|3,0,0]=3 1 B15R2.33 C1=CC=NC(=C1)C2=C(C=CC(=C2)N)Cl PI-42983 [0,0,0,0,0,0|4,0,0]=4 2 B15R2.33 Cc1ccc(=O)n(c1)c2ccccc2 PI-13645 [0,0,0,0,0,0|0,0,0]=0 3 B15R2.33 Oc1ccc(c(c1)c2ccccc2)O PI-38086 [0,0,0,0,0,0|2,0,1]=3 4 B14R2.21 Brc1cccc(c1)c2ccccc2 PI-24225 [1,0,0,0,0,0|2,0,0]=3 5 B14R2.21 Brc1cccc(c1)c2ccccn2 PI-39451 [1,0,0,0,0,0|3,0,0]=4 6 B14R2.21 Brc1cccc(c1)c2cccnc2 PI-37971 [1,0,0,0,0,0|3,0,0]=4 7 B14R2.21 Brc1cccc(n1)c2ccccc2 PI-33454 [1,0,0,0,0,0|3,0,0]=4 8 B14R2.21 C1=CC(=CC(=C1)N)C2=CN=CC=C2 PI-32632 [1,0,0,0,0,0|3,0,0]=4 9 B14R2.21 C1=CC=C(C=C1)C2=CC(=CC=C2)F PI-34146 [1,0,0,0,0,0|2,0,0]=3 10 B14R2.21 C1=CC=C(C=C1)C2=CC(=CC=C2)I PI-48748 [1,0,0,0,0,0|2,0,0]=3 11 B14R2.21 C1=CC=C(C=C1)C2=CC(=CC=C2)O PI-30737 [1,0,0,0,0,0|2,0,0]=3 12 B14R2.21 CC1=CC(=CC=C1)C2=CC=CC=C2 PI-12703 [1,0,0,0,0,0|1,0,0]=2 13 B14R2.21 CC1=CC(=NC=C1)C2=CC=CC=C2 PI-33816 [1,0,0,0,0,0|2,0,0]=3 14 B14R2.21 Nc1cccc(c1)c2ccccc2 PI-17433 [1,0,0,0,0,0|2,0,0]=3 15 B14R2.21 Nc1cccc(n1)c2ccccc2 PI-36070 [1,0,0,0,0,0|3,0,0]=4 16 B14R2.24 BrC1=CC=CN=C1C2=CC=CC=C2 PI-46580 [1,0,0,0,0,0|3,0,0]=4 17 B14R2.24 C1=CC=C(C(=C1)C2=CC=CC=N2)[O-] PI-41384 [1,0,0,0,0,0|2,0,1]=4 18 B14R2.24 C1=CC=C(C=C1)C2=CC=CC=C2F PI-16922 [1,0,0,0,0,0|2,0,0]=3 19 B14R2.24 C1=CC=C(C=C1)C2=CC=CC=C2S PI-17369 [1,0,0,0,0,0|1,1,0]=3 20 B14R2.24 CC1=C(N=CC=C1)C2=CC=CC=C2 PI-33815 [1,0,0,0,0,0|3,0,0]=4 21 B14R2.24 CC1=CC=CC=C1C2=CC=CC=C2 PI-32121 [1,0,0,0,0,0|2,0,0]=3 22 B14R2.24 Clc1ccccc1c2ccccc2 PI-15678 [1,0,0,0,0,0|2,0,0]=3 23 B14R2.24 Ic1ccccc1c2ccccc2 PI-16197 [1,0,0,0,0,0|2,0,0]=3 24 B14R2.24 Nc1ccccc1c2ccccc2 PI-16411 [1,0,0,0,0,0|2,0,0]=3 25 B16R3.2583 BrC1=CC=C2OC3=CC=CC=C3C2=C1 PI-37387 [0,0,0,1,0,0|2,0,1]=4 26 B16R3.2583 Brc1ccc2c(c1)c3ccccc3[nH]2 PI-30181 [0,0,0,1,0,0|3,0,0]=4 27 B16R3.2583 Brc1ccc2c(c1)c3ccccc3s2 PI-37951 [0,0,0,1,0,0|2,1,0]=4 28 B16R3.2583 C1=CC=C2C(=C1)C3=C(O2)C=CC(=C3)Cl PI-48409 [0,0,0,1,0,0|2,0,1]=4 29 B16R3.2583 C1=CC=C2C(=C1)C3=C(S2)C=CC(=C3)N PI-46547 [0,0,0,1,0,0|2,1,0]=4 30 B16R3.2583 Ic1ccc2c(c1)c3ccccc3o2 PI-39156 [0,0,0,1,0,0|2,0,1]=4 31 B14R2.277 C1=CC=C(C=C1)N2C(=O)N=NC2=O PI-17620 [0,0,0,0,1,0|3,0,0]=4 32 B14R2.277 C1C(=O)N(C(=S)N1)C2=CC=CC=C2 PI-25310 [0,0,0,0,1,0|2,0,1]=4 33 B14R2.277 Cc1ccc(n1c2ccccc2)C PI-23950 [0,0,0,0,1,0|1,0,0]=2 34 B14R2.598 C1=CC=C(C=C1)C2=CC(=O)OC2=O PI-17953 [0,0,0,0,1,0|3,0,0]=4 35 B14R2.598 CC1=NN(C(=O)C1)c2ccccc2 PI-13189 [0,0,0,0,1,0|1,0,1]=3 36 B14R2.598 Cc1nn(c2ccccc2)c(Br)c1 PI-36582 [0,0,0,0,1,0|2,0,0]=3 37 B14R2.598 Cc1nn(c2ccccc2)c(N)c1 PI-30073 [0,0,0,0,1,0|2,0,0]=3 38 B16R2.317 Cc1ccc(c(c1)Oc2ccccc2)F PI-19879 [0,0,0,0,0,1|2,0,0]=3 39 B16R2.317 Clc1ccc(O)c(Cc2ccccc2)c1 PI-32433 [0,0,0,0,0,1|2,0,1]=4 40 B13R2.3 C1=CC=[N+](C=C1)C2=CC=NC=C2 PI-16740 [2,0,0,0,0,0|1,0,1]=4 41 B13R2.3 c1ccc(cc1)c2ccccn2 PI-10232 [2,0,0,0,0,0|2,0,0]=4 42 B13R2.3 c1ccc(cc1)c2ccncc2 PI-10383 [2,0,0,0,0,0|2,0,0]=4 43 B13R2.3 c1ccc(cn1)c2ccccc2 PI-31486 [2,0,0,0,0,0|2,0,0]=4 44 B15R2.17 BrCc1cccc(c1)c2ccccc2 PI-24118 [1,1,0,0,0,0|1,0,0]=3 45 B15R2.17 ClCC1=CC(C2=CC=CC=C2)=CC=C1 PI-42215 [1,1,0,0,0,0|1,0,0]=3 46 B15R2.17 O=Cc1cccc(c1)c2ccccc2 PI-27111 [1,1,0,0,0,0|1,0,1]=4 47 B15R2.17 OCc1cccc(c1)c2ccccc2 PI-40763 [1,1,0,0,0,0|1,0,0]=3 48 B15R2.28 Brc1ccc(cc1)c2cccc(F)c2 PI-21445 [1,1,0,0,0,0|2,0,0]=4 49 B15R2.28 C1=CC(=CC(=C1)Br)C2=CC=C(C=C2)I PI-49020 [1,1,0,0,0,0|2,0,0]=4 50 B15R2.28 C1=CC(=CC(=C1)Cl)C2=CC=C(C=C2)Br PI-40581 [1,1,0,0,0,0|2,0,0]=4 51 B15R2.28 C1=CC(=CC(=C1)N)C2=CC=C(C=C2)F PI-23545 [1,1,0,0,0,0|2,0,0]=4 52 B15R2.28 Nc1ccc(cc1)c2cccc(F)c2 PI-23548 [1,1,0,0,0,0|2,0,0]=4 53 B15R2.30 Brc1cccc(c1)c2cccc(c2)Br PI-38248 [1,1,0,0,0,0|2,0,0]=4 54 B15R2.30 C1=CC(=CC(=C1)Br)C2=CC(=CC=C2)I PI-39929 [1,1,0,0,0,0|2,0,0]=4 55 B15R2.30 C1=CC(=CC(=C1)Cl)C2=CC(=CC=C2)Br PI-39935 [1,1,0,0,0,0|2,0,0]=4 56 B15R2.30 C1=CC(=CC(=C1)F)C2=CC(=CC=C2)F PI-21153 [1,1,0,0,0,0|2,0,0]=4 57 B15R2.30 Cc1cccc(c1)c2cccc(Br)c2 PI-22141 [1,1,0,0,0,0|1,0,0]=3 58 B15R2.30 Nc1cccc(c1)c2cccc(F)c2 PI-23544 [1,1,0,0,0,0|2,0,0]=4 59 B15R2.94 C1=CC=C(C=C1)C2=CC(=C(C=C2)Cl)Cl PI-34147 [1,1,0,0,0,0|2,0,0]=4 60 B15R2.94 C1=CC=C(C=C1)C2=CC(=C(C=C2)N)Br PI-44399 [1,1,0,0,0,0|2,0,0]=4 61 B15R2.94 C1=CC=C(C=C1)C2=CC(=C(C=C2)O)N PI-10543 [1,1,0,0,0,0|2,0,0]=4 62 B15R2.94 CC1=C(C=CC(=C1)C2=CC=CC=C2)N PI-30806 [1,1,0,0,0,0|1,0,0]=3 63 B15R2.332 Fc1cccc(c1)c2ccccc2N PI-23547 [1,1,0,0,0,0|2,0,0]=4 64 B15R2.21 C1=C(C2=CN=CC=C2)C(=CC=C1)C=O PI-27275 [1,1,0,0,0,0|2,0,0]=4 65 B15R2.21 O=Cc1ccccc1c2ccccc2 PI-27110 [1,1,0,0,0,0|1,0,0]=3 66 B15R2.21 O=Cc1ccccc1c2ccncc2 PI-27274 [1,1,0,0,0,0|2,0,0]=4 67 B15R2.308 C1=CC(=O)N(C=C1)C2=CC=C(C=C2)N PI-43994 [1,1,0,0,0,0|0,0,0]=2 68 B15R2.308 C1=CC=C(C(=C1)C2=CC=C(C=C2)Cl)N PI-23662 [1,1,0,0,0,0|2,0,0]=4 69 B15R2.308 Fc1ccc(cc1)c2ccccc2N PI-23549 [1,1,0,0,0,0|2,0,0]=4 70 B15R2.389 C1=CC=C(C=C1)C2=C(C=C(C=C2)Br)F PI-16436 [1,1,0,0,0,0|2,0,0]=4 71 B15R2.389 C1=CC=C(C=C1)C2=C(C=C(C=C2)F)F PI-16949 [1,1,0,0,0,0|2,0,0]=4 72 B15R2.555 C1=CC=C(C(=C1)C2=CC=CC=C2Br)Br PI-35962 [1,1,0,0,0,0|2,0,0]=4 73 B15R2.555 C1=CC=C(C(=C1)C2=CC=CC=C2F)F PI-21152 [1,1,0,0,0,0|2,0,0]=4 74 B15R2.555 C1=CC=C(C(=C1)C2=CC=CC=C2I)Br PI-39563 [1,1,0,0,0,0|2,0,0]=4 75 B15R2.555 CC1=CC=CC=C1C2=CC=CC=C2C PI-41232 [1,1,0,0,0,0|2,0,0]=4 76 B15R2.7458 Cc1ccc(C)n1c2ccccc2Br PI-22262 [0,1,0,0,1,0|1,0,0]=3 77 B15R2.18925 C1=CC(=CC=C1N2C(=O)C=CC2=O)Br PI-14505 [0,1,0,0,1,0|1,0,0]=3 78 B15R2.18925 Nc1ccc(cc1)n2c(C)ccc2C PI-23997 [0,1,0,0,1,0|1,0,0]=3 79 B15R2.18925 O=C1C=CC(=O)N1c2ccc(cc2)N PI-17921 [0,1,0,0,1,0|1,0,0]=3 80 B15R2.309 CC1=NN(C(=O)C1)c2ccc(Cl)cc2 PI-32298 [0,1,0,0,1,0|1,0,1]=4 81 B15R2.309 Cc1ccc(cc1)N2N=C(C)CC2=O PI-15827 [0,1,0,0,1,0|1,0,1]=4 82 B15R2.309 NC1=CC(C)=NN1C2=CC=C(C)C=C2 PI-47015 [0,1,0,0,1,0|2,0,0]=4 83 B15R2.557 CC1=NN(C(=O)C1)C2=CC=CC=C2Cl PI-30150 [0,1,0,0,1,0|1,0,1]=4 84 B17R2.1933 COc1cc(c2ccccc2)c(C)cc1N PI-24786 [0,2,0,0,0,0|2,0,0]=4 85 B15R2.38 C1=CC=C(C=C1)NC2=CC=CC=C2Br PI-39983 [0,0,1,1,0,0|2,0,0]=4 86 B15R2.38 Nc1ccccc1Nc2ccccc2 PI-10962 [0,0,1,1,0,0|2,0,0]=4 87 B15R2.29 C1=CC=C(C=C1)NC2=CC=C(C=C2)Br PI-37932 [0,0,1,1,0,0|2,0,0]=4 88 B15R2.29 Cc1ccc(cc1)Nc2ccccc2 PI-24523 [0,0,1,1,0,0|1,0,0]=3 89 B15R2.988 C1=CC=C2C(=C1)C(=CC(=O)N2)C(=O)O PI-20868 [0,0,1,1,0,0|2,0,0]=4 90 B15R3.3 C1C2=CC=CC=C2C3=CC=CC=C31 PI-34163 [1,0,0,1,0,0|2,0,0]=4 91 B15R3.3 c1ccc2c(c1)oc3c2cccc3 PI-19103 [1,0,0,1,0,0|1,0,1]=4 92 B15R3.3 c1ccc2c(c1)sc3ccccc23 PI-10879 [1,0,0,1,0,0|1,1,0]=4 93 B17R3.18998 CC1=CC2=C(C=C1)C=CC3=CC=CC=C32 PI-18918 [0,1,0,1,0,0|2,0,0]=4 94 B17R3.31713 O=C1C2=C(C3=C1C=CC=C3)C=C(Br)C=C2 PI-39630 [0,1,0,1,0,0|2,0,0]=4 95 B17R3.31713 O=C1C2=C(C3=C1C=CC=C3)C=C(N)C=C2 PI-36447 [0,1,0,1,0,0|2,0,0]=4 96 B17R3.31627 Cc1ccc2c(c1)c3cc(C)ccc3s2 PI-23843 [0,1,0,1,0,0|1,1,0]=4 97 B13R1.45 C1=CC=C(C=C1)C(=O)C=CC(=O)O PI-30741 [0,0,1,0,1,0|2,0,0]=4 98 B13R2.10 Cc1ccn(n1)c2ccccc2 PI-13607 [1,0,0,0,1,0|1,0,0]=3 99 B13R2.15 C1=CC=C(C=C1)N2C(=CC=N2)N PI-30950 [1,0,0,0,1,0|2,0,0]=4 100 B15R2.31 C1=CC=C(C=C1)CC2=CC(=CC=C2)N PI-28688 [1,0,0,0,0,1|2,0,0]=4 101 B15R2.31 C1=CC=C(C=C1)NC2=CC(=CC=C2)O PI-17468 [1,0,0,0,0,1|2,0,0]=4 102 B15R2.31 CC1=CC(=CC=C1)NC2=CC=CC=C2 PI-24059 [1,0,0,0,0,1|1,0,0]=3 103 B15R2.31 Cc1cccc(c1)Oc2ccccc2 PI-39145 [1,0,0,0,0,1|1,0,0]=3 104 B15R2.31 Oc1cccc(c1)Oc2ccccc2 PI-30873 [1,0,0,0,0,1|2,0,0]=4