0 B12R2.18 CC1C2=C(NC1=O)N=CC=C2 PI-41265 [0,0,0,0,0,0|2,0,0]=2 1 B12R2.18 CN1C2=CC=CC=C2N=C1N PI-30188 [0,0,0,0,0,0|3,0,1]=4 2 B12R2.18 Cc1[nH]c2ccccc2c1C PI-11086 [0,0,0,0,0,0|4,0,0]=4 3 B12R2.18 Cn1c(C)cc2c1cccc2 PI-11083 [0,0,0,0,0,0|4,0,0]=4 4 B12R2.18 O=C1C(=O)Nc2ccccc12 PI-31744 [0,0,0,0,0,0|2,0,1]=3 5 B12R2.18 O=C1OC2=CC=CC=C2C1C PI-37207 [0,0,0,0,0,0|4,0,0]=4 6 B11R2.1 BrC1=CSC2=NC=CC=C21 PI-46726 [1,0,0,0,0,0|3,0,0]=4 7 B11R2.1 C1=CC2=C(NC=C2Br)N=C1 PI-41228 [1,0,0,0,0,0|2,0,0]=3 8 B11R2.1 C1=CC2=C(NC=C2Cl)N=C1 PI-42708 [1,0,0,0,0,0|2,0,0]=3 9 B11R2.1 C1=CC=C2C(=C1)C(=CN2)Br PI-34828 [1,0,0,0,0,0|3,0,0]=4 10 B11R2.1 C1=CC=C2C(=C1)C(=CS2)O PI-14308 [1,0,0,0,0,0|3,0,0]=4 11 B11R2.1 CN1C=NC2=CC=CC=C21 PI-11703 [1,0,0,0,0,0|2,0,1]=4 12 B11R2.1 Cc1c[nH]c2c1cccc2 PI-10761 [1,0,0,0,0,0|3,0,0]=4 13 B11R2.1 Cn1ccc2ccccc12 PI-11080 [1,0,0,0,0,0|3,0,0]=4 14 B11R2.1 On1nnc2ccccc12 PI-15275 [1,0,0,0,0,0|2,0,1]=4 15 B11R2.1 On1nnc2ccccc12 PI-15359 [1,0,0,0,0,0|2,0,1]=4 16 B11R2.10 C1=CC2=C(NC(=O)O2)N=C1 PI-13499 [1,0,0,0,0,0|1,0,0]=2 17 B11R2.10 C1=CC=C2C(=C1)NC(=S)N2 PI-13021 [1,0,0,0,0,0|1,1,0]=3 18 B11R2.10 C1=CC=C2C(=C1)NC(=S)O2 PI-32430 [1,0,0,0,0,0|2,1,0]=4 19 B11R2.10 C1=CN=CC2=C1NC(=O)N2 PI-47254 [1,0,0,0,0,0|2,0,0]=3 20 B11R2.10 C1C(=O)CC2=CC=CC=C21 PI-11611 [1,0,0,0,0,0|3,0,0]=4 21 B11R2.10 CC1=CC2=CC=CC=C2N1 PI-31662 [1,0,0,0,0,0|3,0,0]=4 22 B11R2.10 CC1=NC2=CC=CC=C2N1 PI-11865 [1,0,0,0,0,0|2,0,1]=4 23 B11R2.10 Clc1nc2c([nH]1)cccc2 PI-31005 [1,0,0,0,0,0|2,0,1]=4 24 B11R2.10 Clc1nc2c(s1)cccn2 PI-34998 [1,0,0,0,0,0|2,0,1]=4 25 B11R2.10 Nc1nc2ccccc2[nH]1 PI-31350 [1,0,0,0,0,0|2,0,1]=4 26 B11R2.10 O=C1Cc2c(N1)cccc2 PI-11084 [1,0,0,0,0,0|2,0,0]=3 27 B11R2.10 O=C1Cc2ccccc2O1 PI-18682 [1,0,0,0,0,0|3,0,0]=4 28 B11R2.10 O=c1oc2ccccc2[nH]1 PI-11480 [1,0,0,0,0,0|2,0,0]=3 29 B11R2.10 O=c1sc2ccccc2[nH]1 PI-12052 [1,0,0,0,0,0|2,0,0]=3 30 B11R2.10 Oc1nc2ccccc2[nH]1 PI-16421 [1,0,0,0,0,0|1,0,2]=4 31 B13R2.3028 C1=CC2=C(C=C1Br)C(=O)C(=O)N2 PI-20345 [0,1,0,0,0,0|2,0,1]=4 32 B13R2.3028 C1=CC2=C(C=C1Cl)C(=O)C(=O)N2 PI-11529 [0,1,0,0,0,0|2,0,1]=4 33 B13R2.3028 Cc1ccc2c(c1)C(=O)C(=O)N2 PI-11530 [0,1,0,0,0,0|2,0,1]=4 34 B13R2.3028 Fc1ccc2c(c1)C(=O)C(=O)N2 PI-22671 [0,1,0,0,0,0|2,0,1]=4 35 B13R2.3028 Ic1ccc2c(c1)C(=O)C(=O)N2 PI-18328 [0,1,0,0,0,0|2,0,1]=4 36 B13R2.3085 O=C1c2ccccc2N(C1=O)C PI-30280 [0,1,0,0,0,0|2,0,1]=4 37 B13R2.4825 C1=CC=C(Br)C2=C1C(=O)C(=O)N2 PI-35969 [0,1,0,0,0,0|2,0,1]=4 38 B13R2.4825 C1=CC=C(C2=C1C(C(=O)N2)=O)Cl PI-10411 [0,1,0,0,0,0|2,0,1]=4 39 B13R2.4825 O=C1Nc2c(F)cccc2C1=O PI-28370 [0,1,0,0,0,0|2,0,1]=4 40 B13R2.4825 O=C1Nc2c(I)cccc2C1=O PI-35973 [0,1,0,0,0,0|2,0,1]=4 41 B13R2.4856 C1=CC2=C(C(=C1)Br)C(=O)C(=O)N2 PI-35975 [0,1,0,0,0,0|2,0,1]=4 42 B13R2.4856 FC1=C2C(=CC=C1)NC(C2=O)=O PI-40288 [0,1,0,0,0,0|2,0,1]=4 43 B13R2.4856 O=C1Nc2cccc(I)c2C1=O PI-35976 [0,1,0,0,0,0|2,0,1]=4 44 B13R2.5190 C1=CC2=C(C=C1Br)NC(=O)C2=O PI-44938 [0,1,0,0,0,0|2,0,1]=4 45 B13R2.5190 C1=CC2=C(C=C1F)NC(=O)C2=O PI-40287 [0,1,0,0,0,0|2,0,1]=4 46 B13R2.5190 Clc1ccc2c(c1)NC(=O)C2=O PI-10574 [0,1,0,0,0,0|2,0,1]=4 47 B13R2.5190 Ic1ccc2c(c1)NC(=O)C2=O PI-35977 [0,1,0,0,0,0|2,0,1]=4 48 B11R1.36 C1=CC=C(C=C1)C(C(=O)O)O PI-33913 [0,0,1,0,0,0|3,0,0]=4 49 B11R1.36 N[C@@H](c1ccccc1)C(=O)N PI-37984 [0,0,1,0,0,0|3,0,0]=4 50 B11R1.36 O[C@@H](C(=O)O)c1ccccc1 PI-10352 [0,0,1,0,0,0|3,0,0]=4 51 B11R1.36 O[C@@H](c1ccccc1)C(=O)O PI-10351 [0,0,1,0,0,0|3,0,0]=4 52 B11R1.40 C1=CC=C(C=C1)CC(=O)NN PI-30983 [0,0,1,0,0,0|3,0,0]=4 53 B11R1.40 C1=CC=C(C=C1)NC(=S)NN PI-29671 [0,0,1,0,0,0|2,1,0]=4 54 B11R1.40 CNC(=S)Nc1ccccc1 PI-24288 [0,0,1,0,0,0|2,1,0]=4 55 B11R1.40 CNC(=S)Nc1ccccc1 PI-30591 [0,0,1,0,0,0|2,1,0]=4 56 B11R1.40 COC(=O)CC1=CC=CC=N1 PI-48279 [0,0,1,0,0,0|3,0,0]=4 57 B11R1.40 ClCC(=O)Nc1ccccc1 PI-15656 [0,0,1,0,0,0|3,0,0]=4 58 B13R2.328 C1=CC2=C(NC(=O)NC2=O)N=C1 PI-50203 [0,0,0,0,0,1|1,0,1]=3 59 B13R2.328 C1=CC=C2C(=C1)C(=CC(=O)N2)[O-] PI-29605 [0,0,0,0,0,1|2,0,1]=4 60 B13R2.328 O=c1cc(O)c2ccccc2o1 PI-31737 [0,0,0,0,0,1|3,0,0]=4 61 B13R2.328 OC1=CC2=NC=CC=C2C(O)=N1 PI-40520 [0,0,0,0,0,1|2,0,1]=4 62 B10R1.18 C1=CC(=CN=C1)CC(=O)O PI-13521 [1,0,1,0,0,0|2,0,0]=4 63 B10R1.18 C1=CC(=CN=C1)CC(=O)O PI-16758 [1,0,1,0,0,0|2,0,0]=4 64 B10R1.18 C1=CC=C(C=C1)OC(=O)N PI-10948 [1,0,1,0,0,0|2,0,0]=4 65 B10R1.18 C1=CC=NC(=C1)CC(=O)O PI-16725 [1,0,1,0,0,0|1,0,0]=3 66 B10R1.18 CC(=O)NC1=NC=CC=N1 PI-44088 [1,0,1,0,0,0|2,0,0]=4 67 B10R1.18 CC(CC1=NC=CC=C1)=O PI-41787 [1,0,1,0,0,0|2,0,0]=4 68 B10R1.18 OC(=O)Cc1cccnc1 PI-28588 [1,0,1,0,0,0|2,0,0]=4 69 B10R1.61 C1=C(C(=NC=N1)N)C(=O)O PI-42082 [1,0,1,0,0,0|2,0,0]=4 70 B10R1.61 C1=CC(=C(N=C1)Br)C(=O)O PI-28439 [1,0,1,0,0,0|2,0,0]=4 71 B10R1.61 C1=CC(=C(N=C1)N)[N+](=O)[O-] PI-10379 [1,0,1,0,0,0|0,0,2]=4 72 B10R1.61 OC(=O)c1cccnc1Cl PI-31141 [1,0,1,0,0,0|2,0,0]=4 73 B10R1.61 OC(=O)c1cccnc1F PI-16387 [1,0,1,0,0,0|2,0,0]=4 74 B10R1.61 OC(=O)c1cccnc1N PI-31221 [1,0,1,0,0,0|1,0,0]=3 75 B10R1.61 OC(=O)c1cccnc1O PI-16700 [1,0,1,0,0,0|2,0,0]=4 76 B10R2.7 C1=CC=C2C(=C1)C=CN2 PI-44715 [2,0,0,0,0,0|2,0,0]=4 77 B10R2.7 c1ccc2c(c1)[nH]cn2 PI-31348 [2,0,0,0,0,0|1,0,1]=4 78 B10R2.7 c1cnc2[nH]ccc2c1 PI-16515 [2,0,0,0,0,0|1,0,0]=3 79 B10R2.7 c1cnc2c(c1)[nH]cc2 PI-10408 [2,0,0,0,0,0|1,0,0]=3 80 B10R2.7 c1ncc2c(n1)[nH]cn2 PI-38461 [2,0,0,0,0,0|1,0,1]=4 81 B10R2.7 c1ncc2cc[nH]c2n1 PI-36490 [2,0,0,0,0,0|2,0,0]=4 82 B12R1.34 C1=CC=C(C=C1)C(C(=O)NN)O PI-50234 [0,1,1,0,0,0|2,0,0]=4 83 B12R1.43 CN(C(=O)NC1=CC=CC=C1)O PI-20818 [0,1,1,0,0,0|1,0,0]=3 84 B12R2.1 OCc1c[nH]c2c1cccc2 PI-16182 [1,1,0,0,0,0|2,0,0]=4 85 B12R2.132 Brc1cnc2c(c1)c(I)c[nH]2 PI-38840 [1,1,0,0,0,0|2,0,0]=4 86 B12R2.203 C1=CN=C2C(=C1Br)C(=CN2)Cl PI-42707 [1,1,0,0,0,0|2,0,0]=4 87 B12R2.203 Cc1c[nH]c2c1c(Cl)ccn2 PI-39357 [1,1,0,0,0,0|2,0,0]=4 88 B12R2.612 C1=CC(=NC2=C1C(=CN2)Br)Cl PI-35902 [1,1,0,0,0,0|2,0,0]=4 89 B12R2.32 O=Cc1cc2ccccc2[nH]1 PI-31918 [1,1,0,0,0,0|2,0,0]=4 90 B12R2.32 O=Cc1nc2c([nH]1)cccc2 PI-14803 [1,1,0,0,0,0|1,0,1]=4 91 B12R2.202 C1=CC(=C2C(=C1)SC(=O)N2)F PI-45347 [1,1,0,0,0,0|2,0,0]=4 92 B12R2.202 C1=CC2=C(C(=C1)Cl)SC(=O)N2 PI-45344 [1,1,0,0,0,0|2,0,0]=4 93 B12R2.202 C1C2=C(C(=CC=C2)Cl)NC1=O PI-33957 [1,1,0,0,0,0|2,0,0]=4 94 B12R2.202 CC1=C2C(=CC=C1)SC(=O)N2 PI-45350 [1,1,0,0,0,0|2,0,0]=4 95 B12R2.202 O=C1NC2=C(C=CC=C2F)C1 PI-40280 [1,1,0,0,0,0|2,0,0]=4 96 B12R2.606 C1=CC2=C(C=C1Br)NC(=O)N2 PI-45071 [1,1,0,0,0,0|1,0,0]=3 97 B12R2.606 C1=CC2=C(C=C1Br)NC(=O)S2 PI-45345 [1,1,0,0,0,0|2,0,0]=4 98 B12R2.606 C1=CC2=C(C=C1Br)NC(=S)N2 PI-45216 [1,1,0,0,0,0|1,1,0]=4 99 B12R2.606 C1=CC2=C(C=C1Br)SC(=O)N2 PI-45346 [1,1,0,0,0,0|2,0,0]=4 100 B12R2.606 C1=CC2=C(C=C1Cl)NC(=O)S2 PI-12815 [1,1,0,0,0,0|2,0,0]=4 101 B12R2.606 C1=CC2=C(C=C1Cl)NC(=S)N2 PI-19368 [1,1,0,0,0,0|1,1,0]=4 102 B12R2.606 C1=CC2=C(C=C1Cl)OC(=O)N2 PI-12045 [1,1,0,0,0,0|2,0,0]=4 103 B12R2.606 C1=CC2=C(C=C1Cl)SC(=O)N2 PI-45343 [1,1,0,0,0,0|2,0,0]=4 104 B12R2.606 C1=CC2=C(C=C1F)NC(=O)S2 PI-45348 [1,1,0,0,0,0|2,0,0]=4 105 B12R2.606 C1=CC2=C(C=C1F)NC(=S)N2 PI-45213 [1,1,0,0,0,0|1,1,0]=4 106 B12R2.606 C1=CC2=C(C=C1F)SC(=O)N2 PI-45349 [1,1,0,0,0,0|2,0,0]=4 107 B12R2.606 C1=CC2=C(C=C1N)NC(=O)N2 PI-28900 [1,1,0,0,0,0|1,0,0]=3 108 B12R2.606 C1=CC2=C(C=C1N)SC(=O)N2 PI-45354 [1,1,0,0,0,0|2,0,0]=4 109 B12R2.606 C1C2=C(C=C(C=C2)F)NC1=O PI-22722 [1,1,0,0,0,0|2,0,0]=4 110 B12R2.606 C1C2=C(C=C(C=C2)I)NC1=O PI-48996 [1,1,0,0,0,0|2,0,0]=4 111 B12R2.606 C1C2=C(C=CC(=C2)Cl)NC1=O PI-10011 [1,1,0,0,0,0|2,0,0]=4 112 B12R2.606 C1C2=C(C=CC(=C2)I)NC1=O PI-48127 [1,1,0,0,0,0|2,0,0]=4 113 B12R2.606 CC1=CC2=C(C=C1)NC(=O)S2 PI-45351 [1,1,0,0,0,0|2,0,0]=4 114 B12R2.606 CC1=CC2=C(C=C1)NC(=S)N2 PI-11853 [1,1,0,0,0,0|1,1,0]=4 115 B12R2.606 O=C1Cc2c(N1)cc(cc2)Br PI-14491 [1,1,0,0,0,0|2,0,0]=4 116 B12R2.606 O=C1Cc2ccc(Cl)cc2N1 PI-10012 [1,1,0,0,0,0|2,0,0]=4 117 B12R2.606 O=C1NC2=CC(F)=CC=C2N1 PI-46692 [1,1,0,0,0,0|1,0,0]=3 118 B12R2.606 O=C1Nc2c(C1)cc(cc2)Br PI-31105 [1,1,0,0,0,0|2,0,0]=4 119 B12R2.606 O=C1Nc2c(C1)cc(cc2)F PI-22697 [1,1,0,0,0,0|2,0,0]=4 120 B12R2.606 O=C1Nc2c(C1)cc(cc2)N PI-10591 [1,1,0,0,0,0|2,0,0]=4 121 B12R2.606 O=C1Nc2c(C1)cc(cc2)O PI-11085 [1,1,0,0,0,0|2,0,0]=4 122 B14R2.517 C1=CC=C2C(=C1)NC(=O)N2CCCl PI-34817 [0,2,0,0,0,0|2,0,0]=4 123 B14R2.642 CC(=C)N1C2=CC=CC=C2NC1=O PI-44859 [0,2,0,0,0,0|2,0,0]=4 124 B14R2.642 CC(=C)N1C2=CC=CC=C2NC1=O PI-45219 [0,2,0,0,0,0|2,0,0]=4 125 B12R1.27 ONC(=O)OCc1ccccc1 PI-38635 [0,0,1,0,0,1|2,0,0]=4