0 B11R2.1 BrC1=C2C=CC=CN2N=C1 ACI-04684 [0,0,0,0,0,0|4,0,0]=4 1 B11R2.1 BrC1=CSC2=C1C=CC=C2 ACI-00699 [0,0,0,0,0,0|2,1,0]=3 2 B11R2.1 BrC1=NN=C2C=CC=CN12 ACI-04751 [0,0,0,0,0,0|3,0,0]=3 3 B11R2.1 BrC1=NN=C2C=CC=NN12 ACI-04749 [0,0,0,0,0,0|4,0,0]=4 4 B11R2.1 CC1=COC2=C1C=CC=C2 ACI-01521 [0,0,0,0,0,0|2,0,0]=2 5 B11R2.1 CC1=CSC2=C1C=CC=C2 ACI-02476 [0,0,0,0,0,0|2,1,0]=3 6 B11R2.1 CN1CCC2=CC=CC=C21 JM-06J-001 [0,0,0,0,0,0|4,0,0]=4 7 B11R2.1 NC1=NNC2=C1C=CC=C2 ACI-NI-00387 [0,0,0,0,0,0|2,0,0]=2 8 B11R2.1 NC1=NNC2=NC=CC=C12 ACI-04391 [0,0,0,0,0,0|3,0,0]=3 9 B11R2.1 OC1=NOC2=C1C=CC=C2 ACI-00380 [0,0,0,0,0,0|0,0,0]=0 10 B11R2.1 SC1=NN=C2C=CC=CN12 WS-05A-005 [0,0,0,0,0,0|2,1,0]=3 11 B10R2.7 C1=CC2=NN=CN2C=C1 ACI-04750 [1,0,0,0,0,0|2,0,0]=3 12 B10R2.7 C1=CC2=NN=CN2N=C1 ACI-04748 [1,0,0,0,0,0|3,0,0]=4 13 B12R2.1 ClCC1=COC2=CC=CC=C12 ACI-05949 [0,1,0,0,0,0|2,0,0]=3 14 B12R2.1 N#CC1=CNC2=C1C=CC=C2 ACI-00379 [0,1,0,0,0,0|3,0,0]=4 15 B12R2.1 O=CC1=COC2=C1C=CC=C2 ACI-01517 [0,1,0,0,0,0|1,0,1]=3 16 B12R2.1 O=CC1=CSC2=C1C=CC=C2 ACI-00483 [0,1,0,0,0,0|1,1,1]=4 17 B12R2.1 OCC1=COC2=CC=CC=C12 ACI-05948 [0,1,0,0,0,0|1,0,0]=2 18 B12R2.18 CC1=C(Br)C2=C(C=CC=C2)S1 ACI-00954 [0,1,0,0,0,0|2,1,0]=4 19 B12R2.18 CC1CC2=C(C=CC=C2)C1=O JM-03H-001 [0,1,0,0,0,0|2,0,1]=4 20 B12R2.132 CC1=CC=C2ON=C(O)C2=C1 ACI-05661 [0,1,0,0,0,0|0,0,0]=1 21 B12R2.132 CC1=CSC2=CC=C(Br)C=C12 ACI-05326 [0,1,0,0,0,0|2,1,0]=4 22 B12R2.132 CC1=CSC2=CC=C(Cl)C=C12 JM-03G-003 [0,1,0,0,0,0|2,1,0]=4 23 B12R2.132 CC1=CSC2=CC=C(F)C=C12 JM-04J-011 [0,1,0,0,0,0|2,1,0]=4 24 B12R2.132 NC1=CC=C2CCC(=O)C2=C1 ACI-01589 [0,1,0,0,0,0|2,0,1]=4 25 B12R2.132 NC1=CC=C2COC(=O)C2=C1 RH-05C-010 [0,1,0,0,0,0|2,0,1]=4 26 B12R2.132 OC1=NOC2=CC=C(Cl)C=C21 ACI-05659 [0,1,0,0,0,0|0,0,0]=1 27 B12R2.132 OC1=NOC2=CC=C(I)C=C21 ACI-05660 [0,1,0,0,0,0|0,0,0]=1 28 B12R2.196 CN1N=CC2=C1C=CC=C2N ACI-02532 [0,1,0,0,0,0|3,0,0]=4 29 B12R2.196 OC1=NOC2=C(Cl)C=CC=C12 ACI-05654 [0,1,0,0,0,0|0,0,0]=1 30 B12R2.196 OC1=NOC2=C(F)C=CC=C12 ACI-05655 [0,1,0,0,0,0|0,0,0]=1 31 B12R2.196 OC1=NOC2=C(O)C=CC=C12 ACI-05656 [0,1,0,0,0,0|0,0,0]=1 32 B12R2.203 OC1=NOC2=CC=CC(F)=C21 ACI-05647 [0,1,0,0,0,0|0,0,0]=1 33 B12R2.203 OC1=NOC2=CC=CC(O)=C21 ACI-05648 [0,1,0,0,0,0|0,0,0]=1 34 B12R2.612 CC1=CC=C2C(=C1)ON=C2O ACI-05653 [0,1,0,0,0,0|0,0,0]=1 35 B12R2.612 CC1=NC2=C(C=C1)C(N)=NN2 ACI-02592 [0,1,0,0,0,0|3,0,0]=4 36 B12R2.612 NC1=NNC2=C1C=CC(Br)=C2 ACI-00934 [0,1,0,0,0,0|2,0,0]=3 37 B12R2.612 OC1=CC=C2C(=C1)ON=C2O ACI-05651 [0,1,0,0,0,0|0,0,0]=1 38 B12R2.612 OC1=NOC2=C1C=CC(Cl)=C2 ACI-00381 [0,1,0,0,0,0|0,0,0]=1 39 B12R2.612 OC1=NOC2=CC(Br)=CC=C21 ACI-05662 [0,1,0,0,0,0|0,0,0]=1 40 B12R2.2028 CC1CC(=O)C2=CC=CC=C21 JM-04K-002 [0,1,0,0,0,0|2,0,1]=4 41 B10R1.15 COC(=N)C1=CC=CC=C1 ACI-15283 [0,0,1,0,0,0|3,0,0]=4 42 B10R1.15 NNC(=O)C1=CC=CC=C1 ACI-01630 [0,0,1,0,0,0|1,0,2]=4 43 B10R1.15 N\C(=N/O)C1=CC=CC=C1 ACI-00072 [0,0,1,0,0,0|1,0,0]=2 44 B10R1.15 N\C(=N/O)C1=CC=CC=N1 ACI-NI-00264 [0,0,1,0,0,0|2,0,0]=3 45 B10R1.15 N\C(=N/O)C1=CC=CN=C1 ACI-00002 [0,0,1,0,0,0|2,0,0]=3 46 B10R1.15 N\C(=N\O)C1=CC=NC=C1 ACI-NI-00268 [0,0,1,0,0,0|2,0,0]=3 47 B10R1.15 O=C(NO)C1=CC=CC=C1 ACI-01576 [0,0,1,0,0,0|0,0,2]=3 48 B10R1.15 O\N=C(/Cl)C1=CC=CC=C1 RH-11K-001 [0,0,1,0,0,0|1,0,0]=2 49 B10R1.17 BrCCOC1=CC=CC=C1 ACI-01603 [0,0,1,0,0,0|2,0,1]=4 50 B10R1.17 N#CCOC1=CC=CC=C1 ACI-05140 [0,0,1,0,0,0|2,0,1]=4 51 B10R1.17 OCCSC1=CC=CC=C1 ACI-02409 [0,0,1,0,0,0|1,1,1]=4 52 B10R1.20 O=CC1=CC=CC=C1CBr ACI-05244 [0,0,1,0,0,0|2,0,1]=4 53 B10R1.61 CC1=CC=CN=C1C(=N)N ACI-02503 [0,0,1,0,0,0|3,0,0]=4 54 B10R1.61 CC1=CN=CC=C1C(=N)N ACI-02506 [0,0,1,0,0,0|3,0,0]=4 55 B10R1.61 N=C(N)C1=C(Br)C=CC=C1 ACI-NI-00396 [0,0,1,0,0,0|2,0,0]=3 56 B10R1.61 N=C(N)C1=C(F)C=CC=C1 ACI-NI-00227 [0,0,1,0,0,0|2,0,0]=3 57 B10R1.61 NC(=O)C1=CC=CC=C1Br ACI-05397 [0,0,1,0,0,0|1,0,2]=4 58 B10R1.61 NC(=S)C1=C(Br)C=CC=C1 ACI-NI-00219 [0,0,1,0,0,0|1,1,1]=4 59 B10R1.61 NC(=S)C1=C(F)C=CC=C1 ACI-NI-00228 [0,0,1,0,0,0|1,1,1]=4 60 B10R1.61 NC1=C(C(=O)O)C=CN=C1 ACI-00348 [0,0,1,0,0,0|3,0,0]=4 61 B10R1.61 NC1=NC=CC=C1C(=O)O ACI-04973 [0,0,1,0,0,0|3,0,0]=4 62 B10R1.61 O=C(Cl)C1=CC=CC=C1Br ACI-01723 [0,0,1,0,0,0|2,0,1]=4 63 B10R1.61 O=C(O)C1=C(Cl)C=CN=C1 ACI-00044 [0,0,1,0,0,0|3,0,0]=4 64 B10R1.61 O=C(O)C1=CC=CN=C1O ACI-01430 [0,0,1,0,0,0|2,0,0]=3 65 B12R2.24 O=C1CNC2=CC=CC=C2O1 ACI-02216 [0,0,0,0,0,1|2,0,1]=4 66 B12R2.24 O=C1NC2=CC=CC=C2CO1 ACI-02206 [0,0,0,0,0,1|2,0,1]=4 67 B12R2.24 O=C1NCC2=CC=CC=C2O1 ACI-02210 [0,0,0,0,0,1|1,0,2]=4 68 B12R2.24 OC1=CN=C2C=CC=CC2=N1 ACI-01320 [0,0,0,0,0,1|2,0,0]=3 69 B12R2.1081 CN1CCOC2=CC=CC=C21 ACI-02680 [0,0,0,0,0,1|3,0,0]=4 70 B12R2.1081 ClC1=C2C=CC=CC2=NN=C1 ACI-06636 [0,0,0,0,0,1|2,0,0]=3 71 B12R2.1081 OC1=C2C=CC=CC2=NN=C1 ACI-06635 [0,0,0,0,0,1|1,0,0]=2 72 B12R2.1081 S=C1NCCC2=CC=CC=C12 FD-10F-003 [0,0,0,0,0,1|1,1,1]=4 73 B9R1.6 N=C(N)C1=CC=CC=N1 ACI-NI-00265 [1,0,1,0,0,0|2,0,0]=4 74 B9R1.6 N=C(N)C1=CC=CN=C1 ACI-00003 [1,0,1,0,0,0|2,0,0]=4 75 B9R1.6 N=C(N)C1=CC=NC=C1 ACI-NI-00269 [1,0,1,0,0,0|2,0,0]=4 76 B9R1.8 O=CNC1=CC=CC=C1 ACI-01582 [1,0,1,0,0,0|0,0,2]=4 77 B9R1.15 CNC1=CC=CC=C1O ACI-05339 [1,0,1,0,0,0|2,0,0]=4 78 B9R1.15 NCC1=CC=CC=C1O ACI-02209 [1,0,1,0,0,0|0,0,2]=4 79 B11R1.12 N#C\C(=C/O)C1=CC=CC=C1 ACI-04944 [0,1,1,0,0,0|2,0,0]=4 80 B11R1.22 CC1=CC=C(\C(N)=N\O)C=N1 ACI-02491 [0,1,1,0,0,0|2,0,0]=4 81 B11R1.22 CC1=CN=C(\C(N)=N\O)C=C1 JM-08K-004 [0,1,1,0,0,0|2,0,0]=4 82 B11R1.22 N\C(=N/O)C1=CC=C(Br)C=C1 ACI-NI-00220 [0,1,1,0,0,0|1,0,0]=3 83 B11R1.22 N\C(=N/O)C1=CC=C(Cl)C=C1 ACI-01635 [0,1,1,0,0,0|1,0,0]=3 84 B11R1.22 N\C(=N/O)C1=CC=C(F)C=C1 ACI-NI-00229 [0,1,1,0,0,0|1,0,0]=3 85 B11R1.22 N\C(=N/O)C1=CN=C(Cl)C=C1 ACI-NI-00202 [0,1,1,0,0,0|2,0,0]=4 86 B11R1.22 O\N=C(/Cl)C1=CC=C(Cl)C=C1 ACI-NI-00061 [0,1,1,0,0,0|1,0,0]=3 87 B11R1.23 CC1=CC(\C(N)=N\O)=NC=C1 ACI-02488 [0,1,1,0,0,0|2,0,0]=4 88 B11R1.23 CC1=CC=CC(\C(N)=N\O)=C1 ACI-00825 [0,1,1,0,0,0|1,0,0]=3 89 B11R1.23 CC1=CC=CC(\C(N)=N\O)=N1 ACI-02489 [0,1,1,0,0,0|2,0,0]=4 90 B11R1.23 CC1=NC=CC(\C(N)=N\O)=C1 ACI-02493 [0,1,1,0,0,0|2,0,0]=4 91 B11R1.23 N\C(=N/O)C1=CC=CC(Br)=C1 ACI-NI-00223 [0,1,1,0,0,0|1,0,0]=3 92 B11R1.23 N\C(=N/O)C1=CC=CC(Cl)=C1 ACI-NI-00235 [0,1,1,0,0,0|1,0,0]=3 93 B11R1.23 N\C(=N/O)C1=CC=CC(F)=C1 ACI-NI-00232 [0,1,1,0,0,0|1,0,0]=3 94 B11R1.23 N\C(=N\O)C1=CC(Cl)=NC=C1 ACI-NI-00201 [0,1,1,0,0,0|2,0,0]=4 95 B11R1.222 CC1=C(\C(N)=N\O)C=CN=C1 ACI-02492 [0,1,1,0,0,0|2,0,0]=4 96 B11R1.222 CC1=C(\C(N)=N\O)C=NC=C1 ACI-02490 [0,1,1,0,0,0|2,0,0]=4 97 B11R1.222 CC1=CC=CN=C1\C(N)=N\O ACI-02271 [0,1,1,0,0,0|2,0,0]=4 98 B11R1.28 OCCOCC1=CC=CC=C1 ACI-15284 [0,1,1,0,0,0|1,0,1]=4 99 B11R1.91 CC(=O)COC1=CC=CC=C1 ACI-01577 [0,1,1,0,0,0|1,0,1]=4 100 B11R1.91 N=C(N)COC1=CC=CC=C1 ACI-05139 [0,1,1,0,0,0|2,0,0]=4 101 B11R1.91 NC(N)=NCC1=CC=CC=C1 ACI-00071 [0,1,1,0,0,0|2,0,0]=4 102 B11R1.91 O=C(O)COC1=CC=C[NH+]=C1 WS-05B-008 [0,1,1,0,0,0|2,0,0]=4 103 B11R1.53 COC1=C(C(=N)N)C=CC=C1 ACI-NI-00256 [0,1,1,0,0,0|2,0,0]=4 104 B11R1.53 COC1=C(C(N)=S)C=CC=C1 ACI-NI-00257 [0,1,1,0,0,0|1,1,0]=4 105 B11R1.53 COC1=CC=CC=C1C(C)=O ACI-05712 [0,1,1,0,0,0|1,0,1]=4 106 B11R1.53 COC1=NC=CC=C1C(=O)O WS-05C-008 [0,1,1,0,0,0|2,0,0]=4 107 B11R1.156 CC1=C(C(=O)O)C(O)=NC=C1 ACI-01234 [0,1,1,0,0,0|2,0,0]=4 108 B11R1.159 N=C(N)C1=C(Cl)C(Cl)=CC=C1 ACI-03947 [0,1,1,0,0,0|2,0,0]=4 109 B11R1.159 O=C(O)C1=CC=CC(I)=C1F ACI-06373 [0,1,1,0,0,0|2,0,0]=4 110 B11R1.166 CC1=C(C(=N)N)C=CC(Br)=C1 ACI-03944 [0,1,1,0,0,0|2,0,0]=4 111 B11R1.166 N=C(N)C1=C(F)C=C(Br)C=C1 ACI-03945 [0,1,1,0,0,0|2,0,0]=4 112 B11R1.166 N=C(N)C1=C(F)C=C(F)C=C1 ACI-00232 [0,1,1,0,0,0|2,0,0]=4 113 B11R1.167 N=C(N)C1=C(F)C=CC(Cl)=C1 ACI-03948 [0,1,1,0,0,0|2,0,0]=4 114 B11R1.167 O=C(O)C1=CC(Br)=CN=C1O ACI-00110 [0,1,1,0,0,0|2,0,0]=4 115 B11R1.167 O=C(O)C1=CC(Cl)=CN=C1O WS-01E-001 [0,1,1,0,0,0|2,0,0]=4 116 B11R2.36 NC1=CC2=C(C=C1)NN=N2 RJC-03E-005 [1,1,0,0,0,0|2,0,0]=4 117 B11R2.36 NC1=CC2=C(C=C1)OC=C2 ACI-05788 [1,1,0,0,0,0|1,0,0]=3 118 B11R2.36 OC1=CC2=C(C=C1)OC=C2 ACI-05787 [1,1,0,0,0,0|1,0,0]=3 119 B11R2.106 BrC1=C2OCCC2=CC=C1 ACI-NI-00707 [1,1,0,0,0,0|1,0,1]=4 120 B11R2.106 BrC1=C2SC=CC2=CC=C1 WS-05J-007 [1,1,0,0,0,0|1,1,0]=4 121 B11R2.106 BrC1=CC=CC2=C1OC=C2 ACI-02292 [1,1,0,0,0,0|1,0,0]=3 122 B11R2.106 ClC1=C2SN=NC2=CC=C1 RH-05K-005 [1,1,0,0,0,0|1,1,0]=4 123 B11R2.106 NC1=CC=CC2=C1C=CO2 ACI-05785 [1,1,0,0,0,0|1,0,0]=3 124 B11R2.106 OC1=CC=CC2=C1C=CO2 ACI-05784 [1,1,0,0,0,0|1,0,0]=3 125 B13R2.32 CN1C(=O)COC2=CC=CC=C21 ACI-02214 [0,1,0,0,0,1|1,0,1]=4 126 B13R2.57 N#CC1=CC2=CC=CC=C2OC1 ACI-01777 [0,1,0,0,0,1|2,0,0]=4 127 B13R2.57 OCC1=CC2=CC=CC=C2OC1 ACI-01778 [0,1,0,0,0,1|1,0,0]=3 128 B13R2.57 OCC1COC2=CC=CC=C2O1 ACI-01639 [0,1,0,0,0,1|1,0,1]=4 129 B13R2.155 NC1=NC=C2C=CC(Br)=CC2=N1 ACI-05242 [0,1,0,0,0,1|2,0,0]=4 130 B13R2.155 NC1=NC=C2C=CC(Cl)=CC2=N1 ACI-05241 [0,1,0,0,0,1|2,0,0]=4 131 B13R2.155 NC1=NC=C2C=CC(F)=CC2=N1 ACI-05240 [0,1,0,0,0,1|2,0,0]=4 132 B13R2.155 O=C1COC2=CC=C(O)C=C2N1 JM-08B-002 [0,1,0,0,0,1|1,0,1]=4 133 B13R2.162 NC1=NC=C2C=CC=C(F)C2=N1 ACI-05243 [0,1,0,0,0,1|2,0,0]=4 134 B13R2.369 OC1=C(O)N=C2C=CC=CC2=N1 ACI-01325 [0,1,0,0,0,1|2,0,0]=4 135 B13R2.3683 NC1=NC=C2C=C(Br)C=CC2=N1 ACI-05238 [0,1,0,0,0,1|2,0,0]=4 136 B13R2.5179 NC1=NC=C2C(Cl)=CC=CC2=N1 ACI-05234 [0,1,0,0,0,1|2,0,0]=4 137 B13R2.5179 NC1=NC=C2C(F)=CC=CC2=N1 ACI-05236 [0,1,0,0,0,1|2,0,0]=4 138 B13R2.371 ClC1=NN=C(Cl)C2=C1C=CC=C2 ACI-00881 [0,1,0,0,0,1|2,0,0]=4 139 B13R2.72 O=C(Cl)C1=NNC2=CC=CC=C21 JL-12F-002 [0,2,0,0,0,0|1,0,1]=4 140 B13R2.72 O=C(O)C1=COC2=C1C=CC=C2 RH-07G-001 [0,2,0,0,0,0|1,0,0]=3 141 B13R2.72 O=C(O)C1=CSC2=CC=CC=C21 JM-05C-001 [0,2,0,0,0,0|1,1,0]=4 142 B13R2.45 CCC1=C(Br)C2=C(C=CC=C2)O1 ACI-00892 [0,2,0,0,0,0|2,0,0]=4 143 B13R2.669 N#CC1=CC=C2ON=C(O)C2=C1 ACI-05665 [0,2,0,0,0,0|0,0,0]=2 144 B13R2.11634 CC1=C(Cl)C=C2C(=C1)ON=C2O ACI-05658 [0,2,0,0,0,0|0,0,0]=2 145 B13R2.11634 OC1=NOC2=CC(Br)=C(Cl)C=C21 ACI-05657 [0,2,0,0,0,0|0,0,0]=2 146 B13R2.11634 OC1=NOC2=CC(Cl)=C(Br)C=C21 ACI-05650 [0,2,0,0,0,0|0,0,0]=2 147 B13R2.573 COC1=C2ON=C(O)C2=CC=C1 ACI-05664 [0,2,0,0,0,0|0,0,0]=2 148 B13R2.582 COC1=C2C(=CC=C1)ON=C2O ACI-05649 [0,2,0,0,0,0|0,0,0]=2 149 B13R2.2130 COC1=CC=C2C(=C1)ON=C2O ACI-05652 [0,2,0,0,0,0|0,0,0]=2 150 B9R1.11 N\C(=N/O)C1=CC=CS1 ACI-NI-00203 [0,0,1,0,1,0|2,0,0]=4 151 B9R1.11 N\C(=N/O)C1=CSC=C1 ACI-NI-00204 [0,0,1,0,1,0|2,0,0]=4