0 B13R2.11634 CC1=CC2=C(C=C1Cl)C(Cl)=NN2 PI-46696 [0,0,0,0,0,0|3,0,0]=3 1 B12R2.100 Brc1cc2cc[nH]c2cc1Cl PI-36785 [1,0,0,0,0,0|2,1,0]=4 2 B12R2.100 C1=C(C(=CC2=C1OC=N2)Cl)N PI-11334 [1,0,0,0,0,0|3,0,0]=4 3 B12R2.100 C1=C2C=NNC2=CC(=C1Cl)Br PI-45184 [1,0,0,0,0,0|1,1,0]=3 4 B12R2.100 C1=C2C=NNC2=CC(=C1F)Br PI-45077 [1,0,0,0,0,0|1,2,0]=4 5 B12R2.100 C1=C2C=NNC2=CC(=C1F)Cl PI-45185 [1,0,0,0,0,0|1,1,0]=3 6 B12R2.100 C1=CNC2=CC(=C(C=C21)F)Cl PI-20090 [1,0,0,0,0,0|2,1,0]=4 7 B12R2.100 Clc1cc2cc[nH]c2cc1F PI-39070 [1,0,0,0,0,0|2,1,0]=4 8 B12R2.132 Brc1ccc2OCC(=O)c2c1 PI-36911 [1,0,0,0,0,0|1,1,1]=4 9 B12R2.132 CC1=COC2=C1C=C(C=C2)O PI-44179 [1,0,0,0,0,0|3,0,0]=4 10 B12R2.132 CC1=CSC2=C1C=C(C=C2)Cl PI-30258 [1,0,0,0,0,0|2,1,0]=4 11 B12R2.132 ClC1=CC2=C(NN=C2Br)C=C1 PI-46753 [1,0,0,0,0,0|2,0,0]=3 12 B12R2.132 ClC1=NNC2=C1C=C(Br)C=C2 PI-46782 [1,0,0,0,0,0|2,1,0]=4 13 B12R2.132 Clc1ccc2c(c1)C(=O)CC2 PI-32741 [1,0,0,0,0,0|2,0,1]=4 14 B12R2.132 Clc1ccc2nnn(O)c2c1 PI-17754 [1,0,0,0,0,0|2,0,0]=3 15 B12R2.132 FC1=CC2=C(NN=C2Br)C=C1 PI-46755 [1,0,0,0,0,0|2,1,0]=4 16 B12R2.612 Brc1ccc2c(c1)onc2Cl PI-39037 [1,0,0,0,0,0|1,1,0]=3 17 B12R2.612 C1C(=O)C2=C(O1)C=C(C=C2)O PI-17763 [1,0,0,0,0,0|2,0,1]=4 18 B12R2.612 ClC1=NNC2=C1C=CC(Br)=C2 PI-46682 [1,0,0,0,0,0|2,1,0]=4 19 B12R2.612 Clc1ccc2C(=O)CCc2c1 PI-31195 [1,0,0,0,0,0|2,0,1]=4 20 B12R2.612 FC1=CC2=C(C=C1)C(Br)=NN2 PI-46756 [1,0,0,0,0,0|2,1,0]=4 21 B12R2.612 O=C1OCC2=C1C=CC(Cl)=C2 PI-40884 [1,0,0,0,0,0|2,0,1]=4 22 B14R2.25731 O=C1OC(=O)c2cc(Cl)c(Cl)cc12 PI-17529 [0,1,0,0,0,0|2,0,1]=4 23 B12R1.232 C1=C(C(=CC(=C1Br)Cl)N)C(=O)O PI-45739 [0,0,1,0,0,0|2,1,0]=4 24 B12R1.232 C1=C(C(=CC(=C1Cl)Cl)Cl)C(=O)O PI-39988 [0,0,1,0,0,0|2,0,0]=3 25 B12R1.232 C1=C(C(=CC(=C1F)Cl)Cl)C(=O)O PI-16073 [0,0,1,0,0,0|2,1,0]=4 26 B12R1.232 C1=C(C(=CC(=C1F)Cl)F)C(=O)O PI-16075 [0,0,1,0,0,0|2,1,0]=4 27 B12R1.232 C1=C(C(=CC(=C1O)O)O)C(=O)O PI-11736 [0,0,1,0,0,0|3,0,0]=4 28 B12R1.232 C1=C(C(=NC(=C1Cl)Cl)Cl)C(=O)O PI-48976 [0,0,1,0,0,0|3,0,0]=4 29 B12R1.232 CC1=CC(=C(C=C1Cl)C(=O)C)O PI-30428 [0,0,1,0,0,0|2,0,1]=4 30 B12R1.232 OB(O)c1cc(Cl)c(Cl)cc1Cl PI-33004 [0,0,1,0,0,0|3,0,0]=4 31 B12R1.232 OC(=O)c1cc(Cl)c(F)cc1F PI-10197 [0,0,1,0,0,0|2,1,0]=4 32 B12R1.367 C1=CC(=C(C=C1C(=O)CCl)Cl)Cl PI-30613 [0,0,1,0,0,0|2,0,1]=4 33 B12R1.367 C1=CC(=C(C=C1C(=O)NN)Cl)Cl PI-50327 [0,0,1,0,0,0|1,0,2]=4 34 B12R1.367 C1=CC(=C(C=C1[C@@H](CCl)O)Cl)Cl PI-49810 [0,0,1,0,0,0|2,0,1]=4 35 B12R1.367 CC1=C(C=C(C=C1)C(=NO)N)F PI-23734 [0,0,1,0,0,0|2,1,0]=4 36 B12R1.367 CCC(=O)C1=CC(=C(C=C1)Cl)Cl PI-12719 [0,0,1,0,0,0|2,0,1]=4 37 B12R1.367 COC(=O)C1=CC(=C(C=C1)Cl)Cl PI-18437 [0,0,1,0,0,0|2,0,1]=4 38 B12R1.367 O\N=C(/N)\c1ccc(F)c(Br)c1 PI-21435 [0,0,1,0,0,0|1,2,0]=4 39 B12R1.385 C1=CC(=C(C=C1CN=C=O)Cl)Cl PI-11441 [0,0,1,0,0,0|1,0,2]=4 40 B12R1.448 C1=C(C(=CC(=C1Cl)Cl)CO)CO PI-26340 [0,0,1,0,0,0|2,0,1]=4 41 B14R2.8239 OC1=NC2=CC(Cl)=C(Cl)C=C2N=C1 PI-42650 [0,0,0,0,0,1|2,0,0]=3 42 B11R1.21 B(C1=CC(=C(C=C1)C)Cl)(O)O PI-25257 [1,0,1,0,0,0|2,0,0]=4 43 B11R1.21 B(C1=CC(=C(C=C1)Cl)C)(O)O PI-20170 [1,0,1,0,0,0|2,0,0]=4 44 B11R1.21 B(C1=CC(=C(C=C1)F)Cl)(O)O PI-16842 [1,0,1,0,0,0|1,1,0]=4 45 B11R1.21 B(C1=CC(=C(C=C1)O)Cl)(O)O PI-49917 [1,0,1,0,0,0|2,0,0]=4 46 B11R1.21 C1=C(C=NC(=C1Cl)Cl)C(=O)O PI-16262 [1,0,1,0,0,0|1,0,1]=4 47 B11R1.21 C1=CC(=C(C=C1C(=O)Cl)Cl)Cl PI-34219 [1,0,1,0,0,0|1,0,1]=4 48 B11R1.21 C1=CC(=C(C=C1C(=O)N)Cl)Cl PI-30402 [1,0,1,0,0,0|0,0,2]=4 49 B11R1.21 C1=CC(=C(C=C1C(=O)O)Cl)F PI-16072 [1,0,1,0,0,0|0,1,1]=4 50 B11R1.21 C1=CC(=C(C=C1C(=O)O)Cl)N PI-32812 [1,0,1,0,0,0|1,0,1]=4 51 B11R1.21 C1=CC(=C(C=C1C(=O)O)Cl)O PI-19535 [1,0,1,0,0,0|1,0,1]=4 52 B11R1.21 CC(=O)C1=CC(=C(C=C1)Cl)Cl PI-29417 [1,0,1,0,0,0|1,0,1]=4 53 B11R1.21 CC1=C(C=CC(=C1)C(=O)O)Cl PI-31518 [1,0,1,0,0,0|1,0,1]=4 54 B11R1.21 OB(O)C1=CC(F)=C(Cl)C=C1 PI-28135 [1,0,1,0,0,0|1,1,0]=4 55 B11R1.21 OB(c1ccc(c(c1)Cl)Cl)O PI-14297 [1,0,1,0,0,0|1,0,0]=3 56 B11R1.21 OC(=O)c1ccc(C)c(Cl)c1 PI-30672 [1,0,1,0,0,0|1,0,1]=4 57 B11R1.21 OC(=O)c1ccc(Cl)c(F)c1 PI-16071 [1,0,1,0,0,0|0,1,1]=4 58 B11R1.21 OC(=O)c1ccc(c(c1)Br)Cl PI-14390 [1,0,1,0,0,0|0,1,1]=4 59 B11R1.21 OC(=O)c1ccc(c(c1)N)Cl PI-10214 [1,0,1,0,0,0|1,0,1]=4 60 B11R1.21 OC(=O)c1ccc(c(c1)O)Cl PI-19468 [1,0,1,0,0,0|1,0,1]=4 61 B11R1.166 C1=CC(=C(C=C1Br)O)C(=O)O PI-21374 [1,0,1,0,0,0|1,1,0]=4 62 B11R1.166 C1=CC(=C(C=C1Cl)O)C(=O)O PI-33938 [1,0,1,0,0,0|1,0,0]=3 63 B11R1.166 CC(=O)C1=C(C=C(C=C1)Cl)O PI-30853 [1,0,1,0,0,0|1,0,1]=4 64 B11R1.166 CC1=CC(=C(C=C1)C(=O)O)O PI-15312 [1,0,1,0,0,0|2,0,0]=4 65 B11R1.166 Clc1ccc(C(=O)O)c(F)c1 PI-16109 [1,0,1,0,0,0|2,0,0]=4 66 B11R1.166 Clc1ccc(C(=O)O)c(N)c1 PI-14296 [1,0,1,0,0,0|2,0,0]=4 67 B11R1.166 Clc1ccc(c(c1)Br)C(=O)O PI-20610 [1,0,1,0,0,0|2,0,0]=4 68 B11R1.166 Fc1ccc(C(=O)O)c(O)c1 PI-34804 [1,0,1,0,0,0|1,1,0]=4 69 B11R1.167 C1=C(Cl)C=CC(=C1C(N)=O)O PI-12030 [1,0,1,0,0,0|0,0,2]=4 70 B11R1.167 C1=CC(=C(C=C1Cl)C(=O)O)Br PI-20611 [1,0,1,0,0,0|2,0,0]=4 71 B11R1.167 C1=CC(=C(C=C1Cl)C(=O)O)Cl PI-16113 [1,0,1,0,0,0|2,0,0]=4 72 B11R1.167 C1=CC(=C(C=C1Cl)C(=O)O)F PI-28487 [1,0,1,0,0,0|2,0,0]=4 73 B11R1.167 C1=CC(=C(C=C1Cl)C(=O)O)O PI-33939 [1,0,1,0,0,0|1,0,0]=3 74 B11R1.167 C1=CC(=C(C=C1F)C(=O)O)O PI-28413 [1,0,1,0,0,0|1,1,0]=4 75 B11R1.167 C1=CC(=C(C=C1N)C(=O)O)O PI-33946 [1,0,1,0,0,0|2,0,0]=4 76 B11R1.167 CC(=O)C1=C(C=CC(=C1)Cl)O PI-11257 [1,0,1,0,0,0|1,0,1]=4 77 B11R1.167 CC1=CC(=C(C=C1)O)C(=O)O PI-12037 [1,0,1,0,0,0|2,0,0]=4 78 B11R1.167 Clc1ccc(c(c1)B(O)O)O PI-39030 [1,0,1,0,0,0|2,0,0]=4 79 B11R1.167 Oc1ccc(c(c1)C(=O)O)O PI-12845 [1,0,1,0,0,0|2,0,0]=4 80 B11R1.22 C1=CC(=CC=C1C(=NO)N)Br PI-14454 [1,0,1,0,0,0|1,1,0]=4 81 B11R1.22 C1=CC(=CC=C1C(=NO)N)Cl PI-30654 [1,0,1,0,0,0|1,0,0]=3 82 B11R1.22 C1=CC(=CC=C1C(=NO)N)F PI-23442 [1,0,1,0,0,0|1,1,0]=4 83 B11R1.22 C1=CC(=CC=C1C(=O)CO)Cl PI-30418 [1,0,1,0,0,0|1,0,1]=4 84 B11R1.22 CC1=CC=C(C=C1)C(=NO)N PI-30254 [1,0,1,0,0,0|2,0,0]=4 85 B11R1.23 CC1=CC(=CC=C1)C(=NO)N PI-19541 [1,0,1,0,0,0|2,0,0]=4 86 B11R1.192 C1=CC(=C(C=C1C=NO)Cl)Cl PI-27679 [1,0,1,0,0,0|0,0,0]=2 87 B11R1.192 C1=CC(=C(C=C1C=NO)O)O PI-27491 [1,0,1,0,0,0|2,0,0]=4 88 B11R1.1 C1=CC(=CC=C1OCCO)Cl PI-19256 [1,0,1,0,0,0|1,0,1]=4 89 B11R1.1 C=CCOC1=CC=C(C=C1)Cl PI-30132 [1,0,1,0,0,0|2,0,0]=4 90 B11R1.37 O=Cc1cc(Cl)ccc1OC PI-27028 [1,0,1,0,0,0|1,0,1]=4 91 B11R2.36 C1=C2C=NOC2=NC=C1Br PI-49007 [2,0,0,0,0,0|1,1,0]=4 92 B11R2.36 C1=CC2=C(C=C1Br)C=NN2 PI-34641 [2,0,0,0,0,0|1,1,0]=4 93 B11R2.36 C1=CC2=C(C=C1Br)NN=C2 PI-33950 [2,0,0,0,0,0|1,1,0]=4 94 B11R2.36 C1=CC2=C(C=C1Cl)C=NN2 PI-34938 [2,0,0,0,0,0|1,0,0]=3 95 B11R2.36 C1=CC2=C(C=C1Cl)N=CO2 PI-12027 [2,0,0,0,0,0|2,0,0]=4 96 B11R2.36 C1=CC2=C(C=C1Cl)NN=C2 PI-34962 [2,0,0,0,0,0|1,0,0]=3 97 B11R2.36 C1=CC2=C(C=C1F)C=NN2 PI-34939 [2,0,0,0,0,0|1,1,0]=4 98 B11R2.36 C1=CC2=C(C=C1F)NN=C2 PI-34959 [2,0,0,0,0,0|1,1,0]=4 99 B11R2.36 C1=CC2=C(C=C1N)C=NN2 PI-17683 [2,0,0,0,0,0|2,0,0]=4 100 B11R2.36 C1=CC2=C(C=C1O)C=NN2 PI-44936 [2,0,0,0,0,0|2,0,0]=4 101 B11R2.36 C1=CC2=C(C=C1O)NN=C2 PI-45210 [2,0,0,0,0,0|2,0,0]=4 102 B11R2.36 C1=CC2=C(C=CO2)C=C1Br PI-19337 [2,0,0,0,0,0|1,1,0]=4 103 B11R2.36 C1=CC2=C(C=CS2)C=C1Cl PI-14313 [2,0,0,0,0,0|1,1,0]=4 104 B11R2.36 C1OC2=C(O1)C=C(C=C2)Cl PI-30880 [2,0,0,0,0,0|2,0,0]=4 105 B11R2.36 CC1=CC=C2[NH]N=CC2=C1 PI-41809 [2,0,0,0,0,0|2,0,0]=4 106 B11R2.36 ClC1=CC2=C(C=C1)C=CN2 PI-20431 [2,0,0,0,0,0|2,0,0]=4 107 B11R2.36 ClC1=CC2=C(NN=C2)C=N1 PI-46697 [2,0,0,0,0,0|2,0,0]=4 108 B11R2.36 ClC1=CC=C2[NH]N=CC2=N1 PI-42635 [2,0,0,0,0,0|2,0,0]=4 109 B11R2.36 Clc1ccc2c(c1)cc[nH]2 PI-10008 [2,0,0,0,0,0|2,0,0]=4 110 B11R2.36 Clc1ncc2c(c1)[nH]nc2 PI-39108 [2,0,0,0,0,0|2,0,0]=4 111 B11R2.36 IC1=CC=C2[NH]N=CC2=C1 PI-34940 [2,0,0,0,0,0|1,1,0]=4 112 B11R2.36 Ic1ccc2c(c1)[nH]nc2 PI-34958 [2,0,0,0,0,0|1,1,0]=4 113 B11R2.36 NC1=CC=C2OC=CC2=C1 PI-40038 [2,0,0,0,0,0|2,0,0]=4 114 B11R2.36 Nc1ccc2c(c1)[nH]nc2 PI-34961 [2,0,0,0,0,0|2,0,0]=4 115 B11R2.1 C1=CC=C2C(=C1)C(=CO2)Br PI-17445 [2,0,0,0,0,0|2,0,0]=4 116 B11R2.1 C1=CC=C2C(=C1)C(=CS2)O PI-14308 [2,0,0,0,0,0|1,1,0]=4 117 B11R2.1 C1=CC=C2C(=C1)C(=NO2)N PI-14154 [2,0,0,0,0,0|1,0,0]=3 118 B11R2.1 C1=CC=C2C(=C1)C(=NS2)Cl PI-12200 [2,0,0,0,0,0|1,1,0]=4 119 B11R2.1 C1C(=O)C2=CC=CC=C2O1 PI-27871 [2,0,0,0,0,0|1,0,1]=4 120 B11R2.1 C1C(=O)C2=CC=CC=C2O1 PI-33947 [2,0,0,0,0,0|1,0,1]=4 121 B11R2.1 ClC1=NOC2=C1C=CC=C2 PI-15670 [2,0,0,0,0,0|1,0,0]=3 122 B11R2.1 On1nnc2ccccc12 PI-15275 [2,0,0,0,0,0|2,0,0]=4 123 B11R2.1 On1nnc2ccccc12 PI-15359 [2,0,0,0,0,0|2,0,0]=4 124 B13R1.2398 COc1cc(N)c(Cl)cc1C(=O)O PI-16435 [0,1,1,0,0,0|2,0,0]=4 125 B13R1.511 C1=CC(=C(C=C1C=CC(=O)O)Cl)Cl PI-25089 [0,1,1,0,0,0|2,0,0]=4 126 B13R1.511 C1=CC(=C(C=C1OCC(=O)O)Cl)Cl PI-50534 [0,1,1,0,0,0|1,0,0]=3 127 B13R2.669 C1=CC2=C(C=C1C=O)C(=NO2)N PI-43124 [1,1,0,0,0,0|2,0,0]=4 128 B13R2.155 C1C(=O)NC2=C(O1)C=CC(=C2)Cl PI-23153 [1,0,0,0,0,1|1,0,1]=4 129 B13R2.162 C1COC2=C(C1=O)C=C(C=C2)Cl PI-15391 [1,0,0,0,0,1|1,0,1]=4 130 B13R2.162 ClC1=CC2=C(Cl)N=CN=C2C=C1 PI-46769 [1,0,0,0,0,1|2,0,0]=4 131 B13R2.162 Clc1ccc2c(c1)c(O)ccn2 PI-31575 [1,0,0,0,0,1|2,0,0]=4 132 B13R2.162 Clc1ccc2occc(=O)c2c1 PI-15387 [1,0,0,0,0,1|1,0,1]=4 133 B13R2.3683 C1=CC2=C(C=CC(=C2)Cl)C=C1O PI-36575 [1,0,0,0,0,1|2,0,0]=4 134 B13R2.5179 Clc1ccc2c(c1)OCCC2=O PI-32697 [1,0,0,0,0,1|1,0,1]=4 135 B13R2.5179 Clc1ccc2c(c1)nccc2O PI-32129 [1,0,0,0,0,1|2,0,0]=4 136 B13R2.5179 Clc1ccc2c(ncnc2Cl)c1 PI-36120 [1,0,0,0,0,1|2,0,0]=4