0 B11R2.20 C12=CC=NC=C1C=CC=C2 BCP23537 [0,0,0,0,0,0|0,0,0]=0 1 B11R2.20 C12=CC=NC=C1CNCC2 BCP14718 [0,0,0,0,0,0|1,0,3]=4 2 B12R2.24 BrC1=CC2=C(C=NN=C2)C=C1 BCP20560 [0,1,0,0,0,0|1,0,0]=2 3 B12R2.24 BrC1=CC2=NC=CC=C2C=C1 BCP08383 [0,1,0,0,0,0|2,0,0]=3 4 B12R2.24 ClC1=CC2=CC=CN=C2C=C1 BCP20124 [0,1,0,0,0,0|2,0,0]=3 5 B12R2.24 FC1=CC=C2C=NC=CC2=C1 BCP02781 [0,1,0,0,0,0|0,0,0]=1 6 B12R2.24 IC1=CC2=C(C=CC=C2)C=C1 BCP13447 [0,1,0,0,0,0|1,0,0]=2 7 B12R2.24 NC1=NC2=NC=CC=C2C=C1 BCP04700 [0,1,0,0,0,0|3,0,0]=4 8 B12R2.24 OC1=CC2=CC=CC=C2N=C1 BCP20129 [0,1,0,0,0,0|2,0,0]=3 9 B12R2.1081 ClC1=CC=CC2=CC=CN=C21 BCP19319 [0,1,0,0,0,0|2,0,0]=3 10 B12R2.1081 ClC1=NC=CC2=C1C=CC=C2 BCP08062 [0,1,0,0,0,0|0,0,0]=1 11 B12R2.1081 ClC1=NC=CC2=NC=CC=C21 BCP08210 [0,1,0,0,0,0|1,0,0]=2 12 B12R2.1081 FC1=C2C(C=CC=C2)=CC=C1 BCP11223 [0,1,0,0,0,0|1,0,0]=2 13 B12R2.1081 FC1=CC=CC2=CC=CN=C21 BCP19389 [0,1,0,0,0,0|2,0,0]=3 14 B12R2.1081 IC1=CN=CC2=CC=CC=C12 BCP20025 [0,1,0,0,0,0|0,0,0]=1 15 B12R2.1081 NC1=C2C(C=CC=N2)=NC=C1 BCP06863 [0,1,0,0,0,0|3,0,0]=4 16 B12R2.1081 Nc1nccc2ccccc12 BCP05774 [0,1,0,0,0,0|0,0,0]=1 17 B12R2.1081 O=C1C=2C=NC=CC2CCC1 BCP12803 [0,1,0,0,0,0|0,0,3]=4 18 B12R2.1081 O=C1CCCC2=C1C=NC=C2 BCP08935 [0,1,0,0,0,0|0,0,3]=4 19 B12R2.1081 O=C1CCNC2=C1C=CC=C2 BCP10083 [0,1,0,0,0,0|2,0,1]=4 20 B12R2.1081 O=C1CCOC2=C1C=CC=C2 BCP06538 [0,1,0,0,0,0|2,0,1]=4 21 B12R2.1081 O=C1NC=NC2=C1C=CC=C2 BCP00749 [0,1,0,0,0,0|1,0,1]=3 22 B12R2.1081 OC1=NC=CC2=C1C=NC=C2 BCP18680 [0,1,0,0,0,0|1,0,0]=2 23 B10R1.4 C[N+]1=CC=CC=C1\C=N\O BCP20507 [0,0,1,0,0,0|2,0,1]=4 24 B10R1.20 CCC1=C(C=O)C=CC=C1 BCP06174 [0,0,1,0,0,0|1,0,2]=4 25 B10R2.7 C12=C(CNC1)C=CC=C2 BCP01139 [0,0,0,0,1,0|0,0,3]=4 26 B10R2.7 C12=C(CNC1)C=CC=C2 BCP15681 [0,0,0,0,1,0|0,0,3]=4 27 B10R2.7 C12=C(NC=C1)C=CC=C2 BCP29310 [0,0,0,0,1,0|0,0,1]=2 28 B10R2.7 C12=CN=CN1C=CC=C2 BCP11480 [0,0,0,0,1,0|1,0,0]=2 29 B10R2.7 C=12C=CC=CC1OBO2 BCP15959 [0,0,0,0,1,0|3,0,0]=4 30 B10R2.7 C=12C=CC=CC1OCO2 BCP11873 [0,0,0,0,1,0|2,0,1]=4 31 B9R1.15 IC1=C(C=O)C=CC=C1 BCP07495 [1,0,1,0,0,0|2,0,0]=4 32 B9R1.15 NC1=C(C=O)C=CC=C1 BCP07330 [1,0,1,0,0,0|1,0,1]=4 33 B11R1.17 BrC1=CC=CC=C1\C=C\C=O BCP04224 [0,1,1,0,0,0|2,0,0]=4 34 B11R1.91 [O-][N+](\C=C\C1=CC=CC=C1)=O BCP12490 [0,1,1,0,0,0|1,0,1]=4 35 B11R2.1 BrC1=C2C=CC=CN2N=C1 BCP07335 [0,1,0,0,1,0|1,0,0]=3 36 B11R2.1 BrC1=CN=C2C=CC=NN21 BCP13281 [0,1,0,0,1,0|2,0,0]=4 37 B11R2.1 BrC1=CN=C2N1C=CC=C2 BCP22690 [0,1,0,0,1,0|1,0,0]=3 38 B11R2.1 BrC1=N[NH]C2=CC=CC=C12 BCP17108 [0,1,0,0,1,0|1,0,0]=3 39 B11R2.1 C1=C(C2=CC=CC=C2[NH]1)C BCP00912 [0,1,0,0,1,0|0,0,1]=3 40 B11R2.1 CN1C2=C(N=N1)C=CC=C2 BCP20547 [0,1,0,0,1,0|2,0,0]=4 41 B11R2.1 IC1=CNC2=CN=CC=C12 BCP08933 [0,1,0,0,1,0|1,0,0]=3 42 B11R2.1 O=C1C2=C(CC1)C=CC=C2 BCP19847 [0,1,0,0,1,0|0,0,2]=4 43 B11R2.1 O=C1COc2c1cccc2 BCP07835 [0,1,0,0,1,0|1,0,1]=4 44 B11R2.1 O=C1N2C=CC=CC2=NN1 BCP03573 [0,1,0,0,1,0|2,0,0]=4 45 B11R2.10 BrC1=CN2C(C=CC=C2)=N1 BCP03005 [0,1,0,0,1,0|1,0,0]=3 46 B11R2.10 CC=1NC2=C(N1)C=CN=C2 BCP15050 [0,1,0,0,1,0|2,0,0]=4 47 B11R2.10 ClC1=NC2=CC=CN=C2S1 BCP19454 [0,1,0,0,1,0|2,0,0]=4 48 B11R2.10 NC1=NC2=CC=CC=C2O1 BCP08019 [0,1,0,0,1,0|1,0,0]=3 49 B11R2.10 O=C1NC=2C=CC=CC2N1 BCP18291 [0,1,0,0,1,0|1,0,1]=4 50 B11R2.36 BrC1=CC2=C(C=C1)C=NN2 BCP00386 [0,1,0,0,1,0|1,0,0]=3 51 B11R2.36 BrC1=CC=2NN=CC2C=N1 BCP09518 [0,1,0,0,1,0|2,0,0]=4 52 B11R2.36 BrC1=CC=C2C=CSC2=C1 BCP04573 [0,1,0,0,1,0|1,0,0]=3 53 B11R2.36 BrC1=CC=C2NC=CC2=N1 BCP15426 [0,1,0,0,1,0|1,0,1]=4 54 B11R2.36 BrC1=CC=C2NN=CC2=C1 BCP00022 [0,1,0,0,1,0|1,0,0]=3 55 B11R2.36 BrC1=CN2C(N=C1)=CC=N2 BCP08936 [0,1,0,0,1,0|2,0,0]=4 56 B11R2.36 Brc1ccc2c(c1)cco2 BCP01211 [0,1,0,0,1,0|1,0,0]=3 57 B11R2.36 C1=CNC2=NC=C(C=C21)Br BCP00110 [0,1,0,0,1,0|1,0,1]=4 58 B11R2.36 CC1=CC2=C(C=C1)C=CN2 BCP00914 [0,1,0,0,1,0|0,0,1]=3 59 B11R2.36 ClC1=CC2=C(C=C1)C=CN2 BCP00061 [0,1,0,0,1,0|0,0,1]=3 60 B11R2.36 ClC1=CC2=C(C=C1)NN=C2 BCP00023 [0,1,0,0,1,0|1,0,0]=3 61 B11R2.36 ClC1=CC2=C(NC=C2)N=C1 BCP00242 [0,1,0,0,1,0|1,0,1]=4 62 B11R2.36 ClC1=CC=2NN=CC2C=N1 BCP05299 [0,1,0,0,1,0|2,0,0]=4 63 B11R2.36 ClC1=CC=C2C(NN=C2)=C1 BCP00929 [0,1,0,0,1,0|1,0,0]=3 64 B11R2.36 ClC1=CC=C2NN=CC2=N1 BCP07454 [0,1,0,0,1,0|2,0,0]=4 65 B11R2.36 ClC1=NC2=C(SC=C2)C=N1 BCP14947 [0,1,0,0,1,0|2,0,0]=4 66 B11R2.36 ClC1=NC2=CC=NN2C=C1 BCP04275 [0,1,0,0,1,0|2,0,0]=4 67 B11R2.36 ClC=1N=CC2=C(C1)C=CN2 BCP15425 [0,1,0,0,1,0|1,0,0]=3 68 B11R2.36 Clc1ncc2c(c1)[nH]cc2 BCP07759 [0,1,0,0,1,0|1,0,0]=3 69 B11R2.36 FC1=CC2=C(C=C1)NN=C2 BCP00024 [0,1,0,0,1,0|1,0,0]=3 70 B11R2.36 FC1=CC2=C(NC=C2)C=C1 BCP09868 [0,1,0,0,1,0|0,0,1]=3 71 B11R2.36 FC1=CC=C2C(NC=C2)=N1 BCP09441 [0,1,0,0,1,0|1,0,1]=4 72 B11R2.36 IC1=CC2=C(C=C1)C=NN2 BCP00928 [0,1,0,0,1,0|1,0,0]=3 73 B11R2.36 NC1=CC2=C(C=C1)NC=N2 BCP11467 [0,1,0,0,1,0|1,0,0]=3 74 B11R2.36 NC1=CC2=C(NN=C2)C=C1 BCP00021 [0,1,0,0,1,0|1,0,0]=3 75 B11R2.36 NC1=CC2=CC=NN2C=C1 BCP09810 [0,1,0,0,1,0|1,0,0]=3 76 B11R2.36 Nc1ccc2c(c1)[nH]nc2 BCP00039 [0,1,0,0,1,0|1,0,0]=3 77 B11R2.36 Nc1ccc2n(c1)ccn2 BCP09820 [0,1,0,0,1,0|1,0,0]=3 78 B11R2.36 OC1=CC2=NC=CN2C=C1 BCP13666 [0,1,0,0,1,0|1,0,0]=3 79 B11R2.36 OC1=CC=C2NN=CC2=C1 BCP11175 [0,1,0,0,1,0|1,0,0]=3 80 B11R2.36 OC1=CN=C2NC=CC2=C1 BCP05680 [0,1,0,0,1,0|1,0,1]=4 81 B11R2.106 BrC1=C2C=CSC2=CC=C1 BCP06885 [0,1,0,0,1,0|1,0,0]=3 82 B11R2.106 BrC1=C2OC=CC2=CC=C1 BCP10086 [0,1,0,0,1,0|1,0,0]=3 83 B11R2.106 BrC1=CC=CC2=C1C=CN2 BCP00057 [0,1,0,0,1,0|0,0,1]=3 84 B11R2.106 BrC1=CC=CC2=C1C=NN2 BCP00013 [0,1,0,0,1,0|1,0,0]=3 85 B11R2.106 BrC1=CC=CC2=C1NN=C2 BCP00108 [0,1,0,0,1,0|1,0,0]=3 86 B11R2.106 BrC1=CC=NC2=C1C=CN2 BCP00239 [0,1,0,0,1,0|1,0,1]=4 87 B11R2.106 BrC1=CC=NC2=C1C=NN2 BCP00123 [0,1,0,0,1,0|2,0,0]=4 88 B11R2.106 BrC1=CN=CC2=C1[NH]C=C2 BCP09437 [0,1,0,0,1,0|1,0,0]=3 89 B11R2.106 Brc1cccc2c1[nH]cc2 BCP00953 [0,1,0,0,1,0|0,0,1]=3 90 B11R2.106 C1=CN2C(=NC=N2)C(=C1)Br BCP19808 [0,1,0,0,1,0|2,0,0]=4 91 B11R2.106 CC1=CC=NC2=C1C=CN2 BCP04307 [0,1,0,0,1,0|1,0,1]=4 92 B11R2.106 ClC1=C2C(NC=N1)=NC=C2 BCP01366 [0,1,0,0,1,0|2,0,0]=4 93 B11R2.106 ClC1=CC=NC2=C1CC=N2 BCP00243 [0,1,0,0,1,0|1,0,1]=4 94 B11R2.106 ClC1=NC=CC2=C1C=NN2 BCP05300 [0,1,0,0,1,0|2,0,0]=4 95 B11R2.106 ClC1=NC=NC2=C1NC=C2 BCP16503 [0,1,0,0,1,0|2,0,0]=4 96 B11R2.106 ClC1=NC=NC2=C1SC=C2 BCP00535 [0,1,0,0,1,0|2,0,0]=4 97 B11R2.106 Clc1ccnc2c1cn[nH]2 BCP05298 [0,1,0,0,1,0|2,0,0]=4 98 B11R2.106 Clc1nccc2c1[nH]cc2 BCP10136 [0,1,0,0,1,0|1,0,0]=3 99 B11R2.106 FC1=C2NN=CC2=CC=C1 BCP02784 [0,1,0,0,1,0|1,0,0]=3 100 B11R2.106 IC1=C2C(NC=C2)=NC=C1 BCP09440 [0,1,0,0,1,0|1,0,1]=4 101 B11R2.106 NC1=C2C(NC=C2)=NC=C1 BCP22734 [0,1,0,0,1,0|1,0,1]=4 102 B11R2.106 NC1=CC=CC2=NC=CN21 BCP09816 [0,1,0,0,1,0|1,0,0]=3 103 B11R2.106 OC1=C2C(NC=C2)=NC=N1 BCP01152 [0,1,0,0,1,0|2,0,0]=4 104 B11R2.106 [O-][N+]1=C2NC=CC2=CC=C1 BCP09382 [0,1,0,0,1,0|1,0,1]=4 105 B13R2.32 NC1=C(Br)C2=C(C=NC=C2)C=C1 BCP13670 [0,2,0,0,0,0|0,0,0]=2 106 B13R2.32 NC1=C2C=CC=NC2=CC=C1Cl BCP11502 [0,2,0,0,0,0|2,0,0]=4 107 B13R2.57 COC1=CC=2C=NC=CC2C=C1 BCP16502 [0,2,0,0,0,0|0,0,0]=2 108 B13R2.57 ClCC1=NC2=CC=CC=C2C=C1 BCP04093 [0,2,0,0,0,0|2,0,0]=4 109 B13R2.57 NCC1=CN=C2C(C=CC=C2)=C1 BCP11483 [0,2,0,0,0,0|2,0,0]=4 110 B13R2.57 NCc1ccc2c(c1)cccn2 BCP13333 [0,2,0,0,0,0|2,0,0]=4 111 B13R2.57 O=Cc1cnc2c(c1)cccc2 BCP15507 [0,2,0,0,0,0|2,0,0]=4 112 B13R2.155 BrC1=CC2=C(C=CC(Br)=C2)C=C1 BCP09880 [0,2,0,0,0,0|1,0,0]=3 113 B13R2.155 BrC1=CC2=NC(N)=NC=C2C=C1 BCP13678 [0,2,0,0,0,0|1,0,0]=3 114 B13R2.155 ClC1=NC=C2C=CC(Br)=CC2=N1 BCP10060 [0,2,0,0,0,0|1,0,0]=3 115 B13R2.155 Nc1cc2cc(Br)ccc2cn1 BCP29210 [0,2,0,0,0,0|0,0,0]=2 116 B13R2.155 O=C1NC2=C(C=CC(O)=C2)C=C1 BCP12809 [0,2,0,0,0,0|2,0,0]=4 117 B13R2.162 Brc1ccc2c(c1)c(O)ncc2 BCP10989 [0,2,0,0,0,0|0,0,0]=2 118 B13R2.162 CC1=CC=CC2=CC=C(C)N=C21 BCP23522 [0,2,0,0,0,0|2,0,0]=4 119 B13R2.162 ClC1=CC=NC=2C=CC(=CC21)C BCP10342 [0,2,0,0,0,0|2,0,0]=4 120 B13R2.162 ClC1=CC=NC=2C=CC(=CC21)F BCP20115 [0,2,0,0,0,0|2,0,0]=4 121 B13R2.162 ClC1=NC2=C(Br)C=CC=C2C=N1 BCP07122 [0,2,0,0,0,0|1,0,0]=3 122 B13R2.162 OC1=C2C=C(Br)C=CC2=NC=C1 BCP07183 [0,2,0,0,0,0|2,0,0]=4 123 B13R2.328 BrC1=CC(C)=NC2=C1C=CC=C2 BCP22686 [0,2,0,0,0,0|2,0,0]=4 124 B13R2.328 ClC1=C2C=CC=CC2=NC(Cl)=C1 BCP20135 [0,2,0,0,0,0|2,0,0]=4 125 B13R2.328 ClC1=NC(Cl)=CC2=NC=CC=C21 BCP14732 [0,2,0,0,0,0|1,0,0]=3 126 B13R2.328 ClC1=NC2=CN=CC=C2C(Cl)=N1 BCP08381 [0,2,0,0,0,0|2,0,0]=4 127 B13R2.328 NC1=CC(Br)=C2C=CC=CC2=C1 BCP19169 [0,2,0,0,0,0|1,0,0]=3 128 B13R2.328 O=C1C=C(N)NC2=C1C=CC=C2 BCP07687 [0,2,0,0,0,0|2,0,0]=4 129 B13R2.328 OC=1C=2C=CC=CC2SC(C1)=O BCP07314 [0,2,0,0,0,0|2,0,0]=4 130 B13R2.369 FC1=CC2=C(C=C1Br)C=CN=C2 BCP17529 [0,2,0,0,0,0|0,0,0]=2 131 B13R2.369 NC1=CC=2C=CC=CC2OC1=O BCP20024 [0,2,0,0,0,0|2,0,0]=4 132 B13R2.3683 BrC1=CC2=CC=C(Br)C=C2C=C1 BCP11203 [0,2,0,0,0,0|1,0,0]=3 133 B13R2.3683 NC1=CC=C2C=C(Br)C=CC2=C1 BCP14076 [0,2,0,0,0,0|1,0,0]=3 134 B13R2.3683 NC1=NC2=C(C=C(Br)C=C2)C=N1 BCP11479 [0,2,0,0,0,0|1,0,0]=3 135 B13R2.3683 Nc1ccc2c(c1)ccc(c2)Br BCP10070 [0,2,0,0,0,0|1,0,0]=3 136 B13R2.5179 O=C1N=CNC2=CC(Br)=CC=C12 BCP08954 [0,2,0,0,0,0|1,0,0]=3 137 B13R2.5179 O=C1NN=CC2=C1C=CC(Br)=C2 BCP07353 [0,2,0,0,0,0|1,0,0]=3 138 B13R2.342 ClC1=NC=NC2=C1C=CC=C2C BCP18106 [0,2,0,0,0,0|1,0,0]=3 139 B13R2.342 ClC=1C2=CC=CC(=C2C=CN1)N BCP11497 [0,2,0,0,0,0|0,0,0]=2 140 B13R2.371 C1=CC(=C2C=NC=CC2=C1Br)N BCP01514 [0,2,0,0,0,0|0,0,0]=2 141 B13R2.371 NC1=C2C=NC=CC2=C(Br)C=N1 BCP08884 [0,2,0,0,0,0|1,0,0]=3 142 B13R2.371 NC1=NC=C(Br)C2=C1C=CC=C2 BCP05765 [0,2,0,0,0,0|0,0,0]=2 143 B13R2.371 NC1=NC=C(I)C2=C1C=CC=C2 BCP05767 [0,2,0,0,0,0|0,0,0]=2 144 B13R2.371 NC1=NN=C(Cl)C2=C1C=CC=C2 BCP08963 [0,2,0,0,0,0|1,0,0]=3 145 B13R2.371 OC1=C2C=CC=CC2=C(Br)C=N1 BCP05766 [0,2,0,0,0,0|0,0,0]=2 146 B13R2.1613 BrCc1cccc2c1nccc2 BCP07935 [0,2,0,0,0,0|2,0,0]=4 147 B13R2.1613 C#CC1=C2N=CC=CC2=CC=C1 BCP10619 [0,2,0,0,0,0|2,0,0]=4 148 B13R2.1613 NCC1=C2C(N=CC=C2)=CC=C1 BCP11576 [0,2,0,0,0,0|2,0,0]=4 149 B13R2.1613 N\N=C/1C2C=CC=CC2=CN=N1 BCP06289 [0,2,0,0,0,0|1,0,1]=4 150 B13R2.1613 OCC1=CC=CC2=NC=CC=C21 BCP11580 [0,2,0,0,0,0|2,0,0]=4 151 B13R2.4818 OC1=C2C(O)=CC=CC2=CC=C1 BCP10859 [0,2,0,0,0,0|1,0,0]=3