0 B14R2.101 C1=CC=C(C=C1)/C=C/C2=NC=CN2 PH000164 [0,0,0,0,0,0|2,0,2]=4 1 B14R2.101 C1=CC=C(C=C1)/N=C/C2=CC=CS2 PH000325 [0,0,0,0,0,0|3,0,1]=4 2 B14R2.101 C1=CC=C(C=C1)CCC2CCNC2 CDS010462 [0,0,0,0,0,0|1,0,3]=4 3 B14R2.101 C1=CC=C(C=C1)CSC2=NCCN2 PH011808 [0,0,0,0,0,0|3,0,1]=4 4 B14R2.101 C1=CC=C(C=C1)CSC2=NN=CN2 R448540 [0,0,0,0,0,0|2,0,2]=4 5 B14R2.101 C1=CC=C(C=C1)CSC2=NNC=N2 PH013671 [0,0,0,0,0,0|2,0,0]=2 6 B14R2.101 C1=CC=C(C=C1)OCC2=COC=C2 T208663 [0,0,0,0,0,0|3,0,0]=3 7 B14R2.101 C1=CC=C(N=C1)NCC2=CC=CS2 T326402 [0,0,0,0,0,0|4,0,0]=4 8 B14R2.101 C1=CN=C(C=C1)NCC2=CC=CO2 EME00320 [0,0,0,0,0,0|4,0,0]=4 9 B14R2.101 C1=CN=C(C=C1)NCC2=CC=CO2 EME00321 [0,0,0,0,0,0|4,0,0]=4 10 B15R2.64 NC(CC1=CC=CC=C1)C2=NC=CS2 PH018488 [0,1,0,0,0,0|2,0,0]=3 11 B15R2.100 ClC1=CC=C(C=C1)CSC2=NNC=N2 EME00067 [0,1,0,0,0,0|2,0,0]=3 12 B15R2.283 CC1=NN(C=C1)CCC2=CC=CC=C2 PH007625 [0,1,0,0,0,0|2,0,0]=3 13 B15R2.283 NC1=NC(=CS1)COC2=CC=CC=C2 CBR00519 [0,1,0,0,0,0|2,0,0]=3 14 B15R2.283 NC1=NC(=NN1)CCC2=CC=CC=C2 CBR01955 [0,1,0,0,0,0|1,0,0]=2 15 B15R2.283 O=C1C=C(CN1)OCC2=CC=CC=C2 R751472 [0,1,0,0,0,0|2,0,1]=4 16 B15R2.562 OC1=CC=CC=C1CNC2=NC=CS2 S648795 [0,1,0,0,0,0|3,0,0]=4 17 B15R2.1117 IC1=CC(=CC=C1)C=NC2=NNC=N2 S22587 [0,1,0,0,0,0|2,0,1]=4 18 B15R2.1259 N1C=C[N+](=C1)CC(=O)C2=CC=CC=C2 S292524 [0,1,0,0,0,0|2,0,1]=4 19 B15R2.1259 NC(CN1C=CC=N1)C2=CC=CC=C2 CBR02323 [0,1,0,0,0,0|2,0,0]=3 20 B15R2.1259 NC(CN1C=CN=C1)C2=CC=CC=C2 CBR00983 [0,1,0,0,0,0|2,0,1]=4 21 B15R2.1259 NC(CN1C=CN=C1)C2=CC=CC=C2 PH019569 [0,1,0,0,0,0|2,0,1]=4 22 B15R2.1259 O=C(CN1C=CC=N1)C2=CC=CC=C2 S295264 [0,1,0,0,0,0|2,0,1]=4 23 B15R2.1259 OC(CN1C=CN=C1)C2=CC=CC=C2 T311286 [0,1,0,0,0,0|2,0,1]=4 24 B13R1.28 O=CNCCCCC1=CC=CC=C1 PH000636 [0,0,1,0,0,0|1,0,2]=4 25 B13R1.42 C/C(=C\C#N)/CCC1=CC=CC=C1 R160423 [0,0,1,0,0,0|3,0,0]=4 26 B15R3.1739 C1=CC=C2C(=C1)CCC3=C2N=NS3 PH008457 [0,0,0,1,0,0|2,0,1]=4 27 B15R3.1739 C1=CC=C2C(=C1)CCC3=CNN=C23 PH004461 [0,0,0,1,0,0|2,0,0]=3 28 B15R3.1739 C1=CC=C2C(=C1)OCC3=NC=CN23 PH013257 [0,0,0,1,0,0|3,0,0]=4 29 B13R2.64 C1=CC=C(C=C1)CN2C=CC=N2 R432377 [0,0,0,0,1,0|2,0,0]=3 30 B13R2.64 C1=CC=C(C=C1)NC2=NC=CS2 PH010014 [0,0,0,0,1,0|3,0,0]=4 31 B13R2.64 N1CCN=C1CC2=CC=CC=C2 S734241 [0,0,0,0,1,0|2,0,1]=4 32 B15R2.2195 C1=CC=C(C=C1)/C=C/C2=CC=CC=N2 S439843 [0,0,0,0,0,1|1,0,2]=4 33 B15R2.2195 C1=CC=C(C=C1)/N=C/C2=NC=CC=C2 S887641 [0,0,0,0,0,1|2,0,1]=4 34 B15R2.2195 C1=CC=C(C=C1)C=NC2=CC=CC=N2 S23540 [0,0,0,0,0,1|2,0,1]=4 35 B15R2.2195 C1=CC=C(C=C1)CCC2=CC=CC=N2 PH003284 [0,0,0,0,0,1|1,0,0]=2 36 B15R2.2195 C1=CC=C(C=C1)CCC2=CC=NC=C2 PH011912 [0,0,0,0,0,1|1,0,1]=3 37 B15R2.2195 C1=CC=C(C=C1)CCC2=NCCCS2 PH000546 [0,0,0,0,0,1|1,0,2]=4 38 B15R2.2195 C1=CC=C(C=C1)CNC2=CC=CC=C2 S836575 [0,0,0,0,0,1|3,0,0]=4 39 B15R2.2195 C1=CC=C(C=C1)CNC2=CN=CN=C2 CDS020904 [0,0,0,0,0,1|1,0,1]=3 40 B15R2.2195 C1=CC=C(C=C1)COC2=CC=CN=C2 PH013570 [0,0,0,0,0,1|2,0,0]=3 41 B15R2.2195 C1=CC=C(C=C1)COC2=CC=CN=C2 SYX00412 [0,0,0,0,0,1|2,0,0]=3 42 B15R2.2195 C1=CC=C(C=C1)CSC2=NC=CC=N2 T316571 [0,0,0,0,0,1|2,0,0]=3 43 B15R2.2195 C1=CC=C(C=C1)OCC2=CC=CN=C2 PH007385 [0,0,0,0,0,1|2,0,0]=3 44 B15R2.2195 C1=CC=C(N=C1)CCC2=CN=CC=C2 PH008220 [0,0,0,0,0,1|2,0,0]=3 45 B15R2.2195 C1=CC=C(N=C1)NCC2=CC=NC=C2 PH010660 [0,0,0,0,0,1|3,0,0]=4 46 B15R2.2195 [SiH2](CC1=CC=CC=C1)C2=CC=CC=C2 S833606 [0,0,0,0,0,1|2,1,0]=4 47 B15R2.2196 C1=CC=C(C=C1)/C=C/CN2C=NC=N2 R583928 [0,0,0,0,0,1|1,0,2]=4 48 B15R2.2196 C1=CC=C(C=C1)CSCC2=CC=CS2 PH008663 [0,0,0,0,0,1|2,0,0]=3 49 B12R1.27 N/C(=N\O)/COC1=CC=CC=C1 PH012682 [1,0,1,0,0,0|2,0,0]=4 50 B12R1.27 NNC(=O)CCC1=CC=CC=C1 PH010195 [1,0,1,0,0,0|1,0,1]=4 51 B14R1.158 C(O)(/C=C/C=C/C)CC1=CC=CC=C1 T211508 [0,1,1,0,0,0|2,0,0]=4 52 B14R2.19 NC1=NN(C=C1)CC2=CC=CC=C2 CBR00217 [0,1,0,0,1,0|2,0,0]=4 53 B14R2.50 IC1=CC=CC=C1CN2C=NC=N2 CDS022848 [0,1,0,0,1,0|1,0,1]=4 54 B14R2.72 FC1=CC=C(C=C1)CN2C=CC=N2 JRD0417 [0,1,0,0,1,0|2,0,0]=4 55 B14R2.72 NC1=CC=C(C=C1)CN2C=NC=N2 CDS006873 [0,1,0,0,1,0|1,0,1]=4 56 B14R2.72 OC1=CC=C(C=C1)CC2=CC=CS2 PH017249 [0,1,0,0,1,0|2,0,0]=4 57 B14R2.72 OC1=CC=C(C=C1)CC2=CSC=C2 PH017250 [0,1,0,0,1,0|2,0,0]=4 58 B14R2.114 NC(C1=CC=CC=C1)C2=CC=CO2 CBR00765 [0,1,0,0,1,0|2,0,0]=4 59 B16R2.71 FC1=CC=CC=C1COC2=CC=CC=N2 T314404 [0,1,0,0,0,1|2,0,0]=4 60 B16R2.71 NC1=CC=CC=C1CCC2=CC=CC=N2 CDS005747 [0,1,0,0,0,1|1,0,0]=3 61 B16R2.71 OC1=C(C=CC=C1)CCC2=CC=CC=C2 PH015899 [0,1,0,0,0,1|2,0,0]=4 62 B16R2.71 OC1=CC=CC=C1CNC2=CC=CN=C2 S564796 [0,1,0,0,0,1|2,0,0]=4 63 B16R2.88 CC(NC1=CC=CC=C1)C2=CC=CC=N2 PH010681 [0,1,0,0,0,1|2,0,0]=4 64 B16R2.88 NC(CC1=CC=CC=C1)C2=CC=CN=C2 PH018513 [0,1,0,0,0,1|1,0,0]=3 65 B16R2.88 NC(CC1=CC=CC=C1)C2=CC=NC=C2 PH018514 [0,1,0,0,0,1|1,0,1]=4 66 B16R2.88 NC(CC1=CC=NC=C1)C2=CC=CC=N2 PH014621 [0,1,0,0,0,1|2,0,0]=4 67 B16R2.88 NC(CC1=CC=NC=C1)C2=CN=CC=C2 PH014845 [0,1,0,0,0,1|2,0,0]=4 68 B16R2.88 OC(CC1=CC=CC=C1)C2=CC=CC=C2 S385581 [0,1,0,0,0,1|2,0,0]=4 69 B16R2.88 [NH3+]C(CC1=CC=CC=C1)C2=CC=CC=C2 S422517 [0,1,0,0,0,1|2,0,0]=4 70 B16R2.132 CC1=CC=C(C=C1)CNC2=CN=CC=C2 S548561 [0,1,0,0,0,1|2,0,0]=4 71 B16R2.132 CC1=CC=C(C=C1)CSC2=NC=CC=N2 T327816 [0,1,0,0,0,1|2,0,0]=4 72 B16R2.132 CC1=CC=C(C=C1)NCC2=CC=CN=C2 T321966 [0,1,0,0,0,1|2,0,0]=4 73 B16R2.132 ClC1=CN=C(N=C1)NCC2=CC=CC=C2 R438847 [0,1,0,0,0,1|2,0,0]=4 74 B16R2.132 FC1=CC=C(C=C1)CNC2=CC=CC=N2 T312444 [0,1,0,0,0,1|2,0,0]=4 75 B16R2.132 FC1=CC=C(C=C1)CNC2=NC=CC=N2 T314242 [0,1,0,0,0,1|2,0,0]=4 76 B16R2.132 NC1=CC=C(C=C1)CCC2=CC=NC=C2 TMT00306 [0,1,0,0,0,1|1,0,1]=4 77 B16R2.132 NC1=CC=C(C=C1)OCC2=CC=CC=N2 CDS006513 [0,1,0,0,0,1|2,0,0]=4 78 B16R2.132 OC1=CC=C(N=C1)OCC2=CC=CC=C2 CDS005481 [0,1,0,0,0,1|2,0,0]=4 79 B16R2.252 CC1=CC(=NC=N1)NCC2=CC=CC=C2 T313645 [0,1,0,0,0,1|1,0,1]=4 80 B16R2.252 CC1=CC=CC(=N1)NCC2=CC=CC=C2 PH017012 [0,1,0,0,0,1|2,0,0]=4 81 B16R2.252 ClC1=CN=CC(=N1)OCC2=CC=CC=C2 T327336 [0,1,0,0,0,1|1,0,1]=4 82 B16R2.252 NC1=CC=CC(=C1)CCC2=CC=NC=C2 T323934 [0,1,0,0,0,1|1,0,1]=4 83 B16R2.252 O=C1C=CN=C(N1)NCC2=CC=CC=C2 T326674 [0,1,0,0,0,1|2,0,0]=4 84 B16R2.252 OC1=CC=NC(=N1)SCC2=CC=CC=C2 R418234 [0,1,0,0,0,1|2,0,0]=4 85 B16R2.3250 CC1=C(SC=N1)CNCC2=CC=CC=C2 PH015548 [0,1,0,0,0,1|1,0,1]=4 86 B16R2.3250 CC1=C(SC=N1)CNCC2=CC=CC=C2 PH019208 [0,1,0,0,0,1|1,0,1]=4 87 B16R2.3014 CC1=CC=NN1CC(O)C2=CC=CC=C2 PH007624 [0,2,0,0,0,0|2,0,0]=4 88 B16R2.3014 CN1C=CN=C1CC(O)C2=CC=CC=C2 T317640 [0,2,0,0,0,0|2,0,0]=4 89 B16R2.137 NC1=NC(=NN1)COC2=CC=C(C=C2)Cl T141984 [0,2,0,0,0,0|2,0,0]=4 90 B16R2.2334 O=CC1=CNC(=N1)CCC2=CC=CC=C2 PH018518 [0,2,0,0,0,0|2,0,0]=4 91 B16R2.2829 CC1=NN(C=C1)CC(O)C2=CC=CC=C2 PH007606 [0,2,0,0,0,0|2,0,0]=4 92 B14R3.49 C1=CC2=C(C=C1)C3=NNC=C3C2 S761044 [0,0,0,1,1,0|2,0,0]=4 93 B16R3.9 C1=CC2=C(C=C1)C3=C(C=NC=N3)CC2 S761079 [0,0,0,1,0,1|0,0,1]=3 94 B16R3.335 NC1=NC2=C(S1)C3=CC=CC=C3CC2 CDS005983 [0,1,0,1,0,0|1,0,0]=3 95 B16R3.2120 OC1=CC=C2C(=C1)CCC3=C2NN=C3 R226491 [0,1,0,1,0,0|2,0,0]=4 96 B12R2.2 C1=CC=C(C=C1)C2=CN=CO2 CDS018116 [0,0,0,0,2,0|1,0,1]=4 97 B12R2.2 C1=CC=C(C=C1)C2=CNN=N2 CDS020603 [0,0,0,0,2,0|1,0,0]=3 98 B12R2.2 C1=CC=C(C=C1)C2=CSN=N2 S541524 [0,0,0,0,2,0|2,0,0]=4 99 B12R2.2 C1=CC=C(C=C1)C2=C[Se]N=N2 R586781 [0,0,0,0,2,0|2,0,0]=4 100 B12R2.2 C1=CC=C(C=C1)C2=NOC=C2 JRD0165 [0,0,0,0,2,0|2,0,0]=4 101 B16R2.2256 C1=CC=C(C=C1)CCSC2=CC=CC=C2 S354627 [0,0,0,0,0,2|2,0,0]=4 102 B16R2.2256 C1=CC=C(C=C1)CNCC2=CC=CC=C2 S561967 [0,0,0,0,0,2|2,0,0]=4 103 B16R2.2256 C1=CC=C(C=C1)CNCC2=CC=CC=C2 S698458 [0,0,0,0,0,2|2,0,0]=4 104 B16R2.2256 C1=CC=C(C=C1)C[Se]CC2=CC=CC=C2 S906972 [0,0,0,0,0,2|2,0,0]=4 105 B16R2.2256 C1=CN=CC(=C1)CNCC2=CC=NC=C2 CDS011510 [0,0,0,0,0,2|2,0,0]=4 106 B16R2.2256 [SiH2](CC1=CC=CC=C1)CC2=CC=CC=C2 S833614 [0,0,0,0,0,2|2,0,0]=4 107 B16R2.2257 C1=CC=C(C=C1)CNCCC2=CNN=C2 PH014642 [0,0,0,0,0,2|2,0,0]=4