0 B12R2.1081 CC1C2=C(C=CC=C2)CCN1 BCP14751 [0,0,0,0,0,0|1,0,3]=4 1 B12R2.1081 ClC1=CC=CC2=CC=CN=C21 BCP19319 [0,0,0,0,0,0|2,0,0]=2 2 B12R2.1081 ClC1=NC=CC2=C1C=CC=C2 BCP08062 [0,0,0,0,0,0|2,0,0]=2 3 B12R2.1081 ClC1=NC=CC2=NC=CC=C21 BCP08210 [0,0,0,0,0,0|3,0,0]=3 4 B12R2.1081 FC1=C2C(C=CC=C2)=CC=C1 BCP11223 [0,0,0,0,0,0|1,0,0]=1 5 B12R2.1081 FC1=CC=CC2=CC=CN=C21 BCP19389 [0,0,0,0,0,0|2,0,0]=2 6 B12R2.1081 IC1=CN=CC2=CC=CC=C12 BCP20025 [0,0,0,0,0,0|2,0,0]=2 7 B12R2.1081 NC1=C2C(C=CC=N2)=NC=C1 BCP06863 [0,0,0,0,0,0|3,0,0]=3 8 B12R2.1081 Nc1nccc2ccccc12 BCP05774 [0,0,0,0,0,0|2,0,0]=2 9 B12R2.1081 O=C1CCNC2=C1C=CC=C2 BCP10083 [0,0,0,0,0,0|2,0,2]=4 10 B12R2.1081 O=C1CCOC2=C1C=CC=C2 BCP06538 [0,0,0,0,0,0|2,0,2]=4 11 B12R2.1081 O=C1NC=NC2=C1C=CC=C2 BCP00749 [0,0,0,0,0,0|3,0,0]=3 12 B12R2.1081 OC1=NC=CC2=C1C=NC=C2 BCP18680 [0,0,0,0,0,0|3,0,0]=3 13 B11R2.20 C12=CC=NC=C1C=CC=C2 BCP23537 [1,0,0,0,0,0|1,0,0]=2 14 B13R2.32 NC1=C(Br)C2=C(C=NC=C2)C=C1 BCP13670 [0,1,0,0,0,0|2,0,0]=3 15 B13R2.32 NC1=C2C=CC=NC2=CC=C1Cl BCP11502 [0,1,0,0,0,0|2,0,0]=3 16 B13R2.162 Brc1ccc2c(c1)c(O)ncc2 BCP10989 [0,1,0,0,0,0|2,0,0]=3 17 B13R2.162 CC1=CC=CC2=CC=C(C)N=C21 BCP23522 [0,1,0,0,0,0|1,0,0]=2 18 B13R2.162 ClC1=CC=NC=2C=CC(=CC21)C BCP10342 [0,1,0,0,0,0|2,0,0]=3 19 B13R2.162 ClC1=CC=NC=2C=CC(=CC21)F BCP20115 [0,1,0,0,0,0|2,0,0]=3 20 B13R2.162 ClC1=NC2=C(Br)C=CC=C2C=N1 BCP07122 [0,1,0,0,0,0|3,0,0]=4 21 B13R2.162 OC1=C2C=C(Br)C=CC2=NC=C1 BCP07183 [0,1,0,0,0,0|2,0,0]=3 22 B13R2.328 BrC1=CC(C)=NC2=C1C=CC=C2 BCP22686 [0,1,0,0,0,0|2,0,0]=3 23 B13R2.328 ClC1=C2C=CC=CC2=NC(Cl)=C1 BCP20135 [0,1,0,0,0,0|2,0,0]=3 24 B13R2.328 ClC1=NC(Cl)=CC2=NC=CC=C21 BCP14732 [0,1,0,0,0,0|3,0,0]=4 25 B13R2.328 NC1=CC(Br)=C2C=CC=CC2=C1 BCP19169 [0,1,0,0,0,0|1,0,0]=2 26 B13R2.328 O=C1C=C(N)NC2=C1C=CC=C2 BCP07687 [0,1,0,0,0,0|2,0,0]=3 27 B13R2.328 OC=1C=2C=CC=CC2SC(C1)=O BCP07314 [0,1,0,0,0,0|2,0,0]=3 28 B13R2.342 ClC1=NC=NC2=C1C=CC=C2C BCP18106 [0,1,0,0,0,0|2,0,0]=3 29 B13R2.342 ClC=1C2=CC=CC(=C2C=CN1)N BCP11497 [0,1,0,0,0,0|2,0,0]=3 30 B13R2.371 C1=CC(=C2C=NC=CC2=C1Br)N BCP01514 [0,1,0,0,0,0|2,0,0]=3 31 B13R2.371 NC1=C2C=NC=CC2=C(Br)C=N1 BCP08884 [0,1,0,0,0,0|3,0,0]=4 32 B13R2.371 NC1=NC=C(Br)C2=C1C=CC=C2 BCP05765 [0,1,0,0,0,0|2,0,0]=3 33 B13R2.371 NC1=NC=C(I)C2=C1C=CC=C2 BCP05767 [0,1,0,0,0,0|2,0,0]=3 34 B13R2.371 NC1=NN=C(Cl)C2=C1C=CC=C2 BCP08963 [0,1,0,0,0,0|3,0,0]=4 35 B13R2.371 OC1=C2C=CC=CC2=C(Br)C=N1 BCP05766 [0,1,0,0,0,0|2,0,0]=3 36 B13R2.1613 BrCc1cccc2c1nccc2 BCP07935 [0,1,0,0,0,0|1,0,0]=2 37 B13R2.1613 C#CC1=C2N=CC=CC2=CC=C1 BCP10619 [0,1,0,0,0,0|1,0,1]=3 38 B13R2.1613 NCC1=C2C(N=CC=C2)=CC=C1 BCP11576 [0,1,0,0,0,0|1,0,0]=2 39 B13R2.1613 OCC1=CC=CC2=NC=CC=C21 BCP11580 [0,1,0,0,0,0|1,0,0]=2 40 B13R2.4818 OC1=C2C(O)=CC=CC2=CC=C1 BCP10859 [0,1,0,0,0,0|1,0,0]=2 41 B13R2.5179 O=C1N=CNC2=CC(Br)=CC=C12 BCP08954 [0,1,0,0,0,0|3,0,0]=4 42 B13R2.5179 O=C1NN=CC2=C1C=CC(Br)=C2 BCP07353 [0,1,0,0,0,0|3,0,0]=4 43 B11R1.17 BrC1=CC=CC=C1\C=C\C=O BCP04224 [0,0,1,0,0,0|2,0,0]=3 44 B11R1.53 O=CC1=CC=CC=C1C(C)C BCP04819 [0,0,1,0,0,0|1,0,2]=4 45 B11R2.1 BrC1=C2C=CC=CN2N=C1 BCP07335 [0,0,0,0,1,0|3,0,0]=4 46 B11R2.1 BrC1=CN=C2N1C=CC=C2 BCP22690 [0,0,0,0,1,0|3,0,0]=4 47 B11R2.1 BrC1=N[NH]C2=CC=CC=C12 BCP17108 [0,0,0,0,1,0|3,0,0]=4 48 B11R2.1 C1=C(C2=CC=CC=C2[NH]1)C BCP00912 [0,0,0,0,1,0|1,0,0]=2 49 B11R2.1 CN1C2=C(N=N1)C=CC=C2 BCP20547 [0,0,0,0,1,0|3,0,0]=4 50 B11R2.1 IC1=CNC2=CN=CC=C12 BCP08933 [0,0,0,0,1,0|3,0,0]=4 51 B11R2.1 O=C1C2=C(CC1)C=CC=C2 BCP19847 [0,0,0,0,1,0|1,0,2]=4 52 B11R2.1 O=C1COc2c1cccc2 BCP07835 [0,0,0,0,1,0|2,0,1]=4 53 B11R2.106 BrC1=C2C=CSC2=CC=C1 BCP06885 [0,0,0,0,1,0|2,0,0]=3 54 B11R2.106 BrC1=C2OC=CC2=CC=C1 BCP10086 [0,0,0,0,1,0|2,0,0]=3 55 B11R2.106 BrC1=CC=CC2=C1C=CN2 BCP00057 [0,0,0,0,1,0|2,0,0]=3 56 B11R2.106 BrC1=CC=CC2=C1C=NN2 BCP00013 [0,0,0,0,1,0|3,0,0]=4 57 B11R2.106 BrC1=CC=CC2=C1NN=C2 BCP00108 [0,0,0,0,1,0|3,0,0]=4 58 B11R2.106 BrC1=CC=NC2=C1C=CN2 BCP00239 [0,0,0,0,1,0|3,0,0]=4 59 B11R2.106 BrC1=CN=CC2=C1[NH]C=C2 BCP09437 [0,0,0,0,1,0|3,0,0]=4 60 B11R2.106 Brc1cccc2c1[nH]cc2 BCP00953 [0,0,0,0,1,0|2,0,0]=3 61 B11R2.106 CC1=CC=NC2=C1C=CN2 BCP04307 [0,0,0,0,1,0|2,0,0]=3 62 B11R2.106 Clc1nccc2c1[nH]cc2 BCP10136 [0,0,0,0,1,0|3,0,0]=4 63 B11R2.106 FC1=C2NN=CC2=CC=C1 BCP02784 [0,0,0,0,1,0|3,0,0]=4 64 B11R2.106 IC1=C2C(NC=C2)=NC=C1 BCP09440 [0,0,0,0,1,0|3,0,0]=4 65 B11R2.106 NC1=C2C(NC=C2)=NC=C1 BCP22734 [0,0,0,0,1,0|3,0,0]=4 66 B11R2.106 NC1=CC=CC2=NC=CN21 BCP09816 [0,0,0,0,1,0|3,0,0]=4 67 B11R2.106 [O-][N+]1=C2NC=CC2=CC=C1 BCP09382 [0,0,0,0,1,0|3,0,0]=4 68 B10R1.20 CCC1=C(C=O)C=CC=C1 BCP06174 [1,0,1,0,0,0|1,0,1]=4 69 B12R1.30 CN(\C=C\C=O)C1=CC=CC=C1 BCP12987 [0,1,1,0,0,0|1,0,0]=3 70 B12R1.1112 O=CC1=CC=CC(O)=C1CC=C BCP24264 [0,1,1,0,0,0|1,0,1]=4 71 B12R2.24 BrC1=CC2=C(C=NN=C2)C=C1 BCP20560 [1,1,0,0,0,0|2,0,0]=4 72 B12R2.24 BrC1=CC2=NC=CC=C2C=C1 BCP08383 [1,1,0,0,0,0|1,0,0]=3 73 B12R2.24 ClC1=CC2=CC=CN=C2C=C1 BCP20124 [1,1,0,0,0,0|1,0,0]=3 74 B12R2.24 FC1=CC=C2C=NC=CC2=C1 BCP02781 [1,1,0,0,0,0|1,0,0]=3 75 B12R2.24 IC1=CC2=C(C=CC=C2)C=C1 BCP13447 [1,1,0,0,0,0|0,0,0]=2 76 B12R2.24 NC1=NC2=NC=CC=C2C=C1 BCP04700 [1,1,0,0,0,0|2,0,0]=4 77 B12R2.24 OC1=CC2=CC=CC=C2N=C1 BCP20129 [1,1,0,0,0,0|1,0,0]=3 78 B12R2.1 O=CC1=CNC2=C1C=CC=C2 BCP00081 [0,1,0,0,1,0|1,0,1]=4 79 B12R2.1 O=CC1=COC2=CC=CC=C21 BCP07719 [0,1,0,0,1,0|1,0,1]=4 80 B12R2.1 OCC1=CNC2=C1C=CC=C2 BCP00087 [0,1,0,0,1,0|1,0,0]=3 81 B12R2.18 O=C1NC2=C(C=CC=C2)C1=O BCP15996 [0,1,0,0,1,0|2,0,0]=4 82 B12R2.132 CN1C=CC2=NC=C(Br)C=C21 BCP12212 [0,1,0,0,1,0|2,0,0]=4 83 B12R2.132 CN1N=CC2=C1C=C(Br)C=C2 BCP00036 [0,1,0,0,1,0|2,0,0]=4 84 B12R2.203 CN1N=CC2=C1C(Br)=CC=C2 BCP00005 [0,1,0,0,1,0|2,0,0]=4 85 B12R2.221 FC1=C2C=CNC2=C(F)C=C1 BCP06181 [0,1,0,0,1,0|2,0,0]=4 86 B12R2.246 BrC1=CC(N)=CC2=C1C=CN2 BCP06298 [0,1,0,0,1,0|2,0,0]=4 87 B12R2.246 C1=CNC2=CC(=CC(=C12)N)I BCP06809 [0,1,0,0,1,0|2,0,0]=4 88 B12R2.246 CC1=C2C(C=NN2)=CC(Br)=C1 BCP01344 [0,1,0,0,1,0|2,0,0]=4 89 B14R2.8038 CC1=C(Br)C2=C(C=C1)C(Cl)=NC=C2 BCP08154 [0,2,0,0,0,0|2,0,0]=4 90 B14R2.29369 OC1=C(F)C2=C(C=C1)C=C(Br)C=C2 BCP20571 [0,2,0,0,0,0|1,0,0]=3 91 B14R2.142 COC1=CC=C2N=CC=C(C)C2=C1 BCP28898 [0,2,0,0,0,0|1,0,0]=3 92 B14R2.8235 CC1=CC(Cl)=NC2=CC=C(Br)C=C12 BCP15571 [0,2,0,0,0,0|1,0,0]=3 93 B14R2.8235 CC1=CC(O)=NC2=C1C=C(Br)C=C2 BCP15572 [0,2,0,0,0,0|1,0,0]=3 94 B14R2.1019 CC1=C2C=CC=CC2=NC(CCl)=N1 BCP04760 [0,2,0,0,0,0|2,0,0]=4 95 B14R2.29365 CC=1C=2C=CC(=CC2OC(C1)=O)O BCP06770 [0,2,0,0,0,0|1,0,0]=3 96 B14R2.29365 ClC1=CC2=NC(Cl)=CC(Cl)=C2C=C1 BCP06152 [0,2,0,0,0,0|2,0,0]=4 97 B14R2.1131 BrC1=CC=C(C#N)C2=C1C=CC=C2 BCP17063 [0,2,0,0,0,0|0,0,1]=3 98 B14R2.1131 NC1=C2C(C=CC=C2)=C(C#N)C=C1 BCP15297 [0,2,0,0,0,0|0,0,1]=3 99 B14R2.31359 CC(N)C1=C2C=CC=CC2=CC=C1 BCP19747 [0,2,0,0,0,0|0,0,0]=2 100 B14R2.31359 C[C@@H](N)C1=C2C=CC=CC2=CC=C1 BCP04655 [0,2,0,0,0,0|0,0,0]=2 101 B14R2.31359 N[C](C)C1=CC=CC2=C1C=CC=C2 BCP19539 [0,2,0,0,0,0|0,0,0]=2 102 B14R2.31359 O=[N+]([O-])C1=CC=CC2=CC=CN=C21 BCP18535 [0,2,0,0,0,0|2,0,0]=4 103 B14R2.31359 O=[N+]([O-])C1=CN=CC2=CC=CC=C21 BCP19974 [0,2,0,0,0,0|2,0,0]=4 104 B14R2.31359 OB(O)C1=CC=CC2=C1C=CN=C2 BCP15570 [0,2,0,0,0,0|2,0,0]=4 105 B14R2.31359 S=C(C1=CN=CC2=C1C=CC=C2)N BCP15438 [0,2,0,0,0,0|1,0,1]=4 106 B14R3.164 C12=CC=CC3=C1C(C=C2)=CC=C3 BCP15705 [0,1,0,1,0,0|0,0,1]=3 107 B10R2.7 C12=C(NC=C1)C=CC=C2 BCP29310 [1,0,0,0,1,0|1,0,0]=3 108 B10R2.7 C12=CN=CN1C=CC=C2 BCP11480 [1,0,0,0,1,0|2,0,0]=4