0 B15R3.3 C1=CC2=C(C=C1)C3=C(C2)CC=CC3 PH007926 [0,0,0,0,0,0|2,0,1]=3 1 B15R3.3 C1=CC2=C(C=C1)C3=C(N2)CCNC3 CBR00326 [0,0,0,0,0,0|0,0,0]=0 2 B15R3.3 C1=CC2=C(C=C1)C3=C(N2)N=CC=C3 PH007339 [0,0,0,0,0,0|2,0,2]=4 3 B15R3.3 C1=CC2=C(C=C1)C3=CN=CC=C3N2 PH002886 [0,0,0,0,0,0|0,0,4]=4 4 B15R3.3 C1=CC2=C(C=C1)C3CCNCC3N2 CDS021377 [0,0,0,0,0,0|2,0,2]=4 5 B15R3.3 C1=CC2=C(C=C1)[N+]3=C(S2)SCCC3 R243353 [0,0,0,0,0,0|4,0,0]=4 6 B15R3.3 C1=CC=C2C(=C1)N=C3N2CCCS3 PH009618 [0,0,0,0,0,0|3,0,1]=4 7 B16R3.2264 CC12CCCCC1=NC3=C2C=CC=C3 S275808 [0,1,0,0,0,0|1,0,2]=4 8 B16R3.2264 N1C2=CCCCC2(C3=C1C=CC=C3)C S244244 [0,1,0,0,0,0|1,0,2]=4 9 B16R3.2583 CC1=CC2=C(C=C1)NC3=C2CNCC3 PH015254 [0,1,0,0,0,0|0,0,0]=1 10 B16R3.2583 CC1=CC2=C(C=C1)NC3C2CCCC3 CDS015147 [0,1,0,0,0,0|1,0,2]=4 11 B16R3.2583 CN1CCC2=C(C1)C3=C(N2)C=CC=C3 PH009948 [0,1,0,0,0,0|0,0,0]=1 12 B16R3.2583 ClC1=CC=C2NC3=C(C2=C1)CNCC3 PH014552 [0,1,0,0,0,0|0,0,0]=1 13 B16R3.2583 FC1=CC=C2NC3=C(C2=C1)CNCC3 CBR02444 [0,1,0,0,0,0|0,0,0]=1 14 B16R3.2583 N1C2=C(C=C(C=C2)Br)C3=C1CCCC3 S850128 [0,1,0,0,0,0|1,0,0]=2 15 B16R3.2583 N1C2=C(C=C(C=C2)C)C3=C1CCCC3 S410764 [0,1,0,0,0,0|1,0,0]=2 16 B16R3.2583 O=C1CCC2=C(C1)C3=C(N2)C=CC=C3 PH003452 [0,1,0,0,0,0|1,0,0]=2 17 B16R3.2637 ClC1=CC=C2C(=C1)N=C3N2CCCC3 PH008257 [0,1,0,0,0,0|2,0,1]=4 18 B16R3.2637 FC1=CC2=C(C=C1)C3=C(N2)CNCC3 CDS021048 [0,1,0,0,0,0|2,0,0]=3 19 B16R3.2637 NC1=CC2=C(C=C1)C3=C(O2)CC=CC3 S837466 [0,1,0,0,0,0|2,0,1]=4 20 B16R3.3329 ClC1=C2NC3=C(C2=CC=C1)CNCC3 CBR01048 [0,1,0,0,0,0|0,0,0]=1 21 B16R3.3329 ClC1=CC=CC2=C1NC3=C2CNCC3 CDS021150 [0,1,0,0,0,0|0,0,0]=1 22 B16R3.3329 ClC1=CC=CC2=C1NC3=C2CNCC3 PH019086 [0,1,0,0,0,0|0,0,0]=1 23 B16R3.3329 O=C1CCCC2=C1NC3=C2C=CC=C3 PH004199 [0,1,0,0,0,0|1,0,1]=3 24 B16R3.27838 O=C1CCCC2=C1C3=CC=CC=C3N2 PH000169 [0,1,0,0,0,0|1,0,1]=3 25 B14R2.3 NCCSC1=CNC2=C1C=CC=C2 CDS018492 [0,0,1,0,0,0|3,0,0]=4 26 B14R2.3 [C-]#[N+]CCC1=CNC2=C1C=CC=C2 PH015645 [0,0,1,0,0,0|2,0,1]=4 27 B14R2.6 C1=CC=C(C=C1)NN2CCCCC2 PH012195 [0,0,1,0,0,0|2,0,1]=4 28 B14R2.24 CC1=C(C=CC=C1)C2CCCNC2 CBR01834 [0,0,1,0,0,0|1,0,2]=4 29 B14R2.24 CC1=CC=CC=C1C2=CCCCC2 S356093 [0,0,1,0,0,0|2,0,0]=3 30 B14R2.24 CN1CCNCC1C2=CC=CC=C2 CBR00615 [0,0,1,0,0,0|2,0,1]=4 31 B14R2.24 ClC1=CC=CC=C1C2=CCCCC2 PH001373 [0,0,1,0,0,0|2,0,0]=3 32 B14R2.24 ClC1=CC=CC=C1C2CNCCS2 PH015147 [0,0,1,0,0,0|2,0,1]=4 33 B14R2.24 FC1=CC=CC=C1C2CNCCN2 CDS018430 [0,0,1,0,0,0|2,0,1]=4 34 B14R2.24 NC1CCCCC1C2=CC=CC=C2 PH012427 [0,0,1,0,0,0|1,0,2]=4 35 B14R2.44 CN1C(=NC2=C1C=CC=C2)CCO CBR02361 [0,0,1,0,0,0|2,0,1]=4 36 B14R2.44 CN1C(=NC2=CC=CN=C12)CCN PH017983 [0,0,1,0,0,0|2,0,1]=4 37 B14R2.44 CN1C2=CC=CC=C2N=C1CCN CBR00683 [0,0,1,0,0,0|1,0,1]=3 38 B14R2.44 CNCC1=C(C2=CC=CC=C2N1)C CBR01262 [0,0,1,0,0,0|2,0,0]=3 39 B14R2.67 CCCSC1=NC2=C(N1)C=CC=C2 S239305 [0,0,1,0,0,0|3,0,0]=4 40 B14R2.67 CNCCC1=NC2=CC=CC=C2N1 PH017751 [0,0,1,0,0,0|1,0,0]=2 41 B14R2.67 CNCCC1=NC2=CC=CC=C2N1 PH019296 [0,0,1,0,0,0|1,0,0]=2 42 B14R2.67 N1C(=NC2=C1C=CC=C2)CCCO S441503 [0,0,1,0,0,0|3,0,0]=4 43 B14R2.67 N1C(=NC2=C1C=CC=C2)CSCC S927597 [0,0,1,0,0,0|3,0,0]=4 44 B14R2.517 CCCN1C(=O)NC2=CC=CC=C12 PH010931 [0,0,1,0,0,0|3,0,0]=4 45 B14R2.517 CCC[N+]1=C(SC2=CC=CC=C12)C S655872 [0,0,1,0,0,0|3,0,0]=4 46 B14R2.517 N1C(=C(C2=C1C=CC=C2)CCC)C S363812 [0,0,1,0,0,0|1,0,0]=2 47 B14R2.1129 CCC1=C(C2=CC=CC=C2O1)C=O CDS002213 [0,0,1,0,0,0|2,0,1]=4 48 B14R3.49 C1=CC2=C(C=C1)C3=NNC=C3C2 S761044 [0,0,0,0,1,0|2,0,1]=4 49 B14R3.49 C1=CC2=C(C=C1)N3CCCC3=N2 L202975 [0,0,0,0,1,0|1,0,1]=3 50 B14R3.49 C1=CC2=C(C=C1)[N+]3=C(S2)SCC3 R243191 [0,0,0,0,1,0|3,0,0]=4 51 B14R3.49 C1=CC2=C(C=C1)[N+]3=C(S2)SCC3 R306673 [0,0,0,0,1,0|3,0,0]=4 52 B16R3.9 C1=CC2=C(C=C1)C3=C(C=C2)CCCC3 T153885 [0,0,0,0,0,1|2,0,0]=3 53 B16R3.9 C1=CC2=[N+](C=C1)C3=C(C=N2)CCCC3 S11933 [0,0,0,0,0,1|2,0,1]=4 54 B16R3.1720 C1=CC2=C(C=C1)N=C3CCCCC3=N2 PH008615 [0,0,0,0,0,1|1,0,1]=3 55 B16R3.1720 C1=CC2=C(C=C1)[O+]=C3CCCCC3=C2 S41778 [0,0,0,0,0,1|2,0,0]=3 56 B16R3.1720 C1=CC2=NC3=C(CCCC3)N=C2N=C1 PH000812 [0,0,0,0,0,1|2,0,1]=4 57 B16R3.1722 C1=CC2=C(C=C1)C3=C(N2)CCNCC3 PH009891 [0,0,0,0,0,1|0,0,0]=1 58 B16R3.1722 C1=CC2=C(C=C1)C3=C(N2)CNCCC3 PH008949 [0,0,0,0,0,1|1,0,0]=2 59 B16R3.1722 C1=CC=C2C(=C1)C=C3N2CCNCC3 PH019527 [0,0,0,0,0,1|2,0,0]=3 60 B13R2.1 CCC[N+]1=CSC2=C1C=CC=C2 R240354 [1,0,1,0,0,0|2,0,0]=4 61 B13R2.1 CCNC1=C2C=CC=CC2=NS1 PH007426 [1,0,1,0,0,0|1,0,1]=4 62 B13R2.1 CN=CC1=CNC2=C1C=CC=C2 PH003895 [1,0,1,0,0,0|0,0,2]=4 63 B13R2.1 CNCC1=CN=C2N1C=CC=C2 CBR02461 [1,0,1,0,0,0|1,0,1]=4 64 B13R2.1 NCCC1=CNC2=C1C=CC=C2 R162698 [1,0,1,0,0,0|1,0,0]=3 65 B13R2.3 C1=CC=C(C=C1)C2=CCNCC2 CDS005086 [1,0,1,0,0,0|2,0,0]=4 66 B13R2.3 C1=CC=C(C=C1)C2CCCNC2 CDS006181 [1,0,1,0,0,0|0,0,2]=4 67 B13R2.3 C1=CC=C(C=C1)N2CCCNC2 PH012041 [1,0,1,0,0,0|1,0,1]=4 68 B13R2.26 CCSC1=NC2=C(N1)C=CC=C2 S213780 [1,0,1,0,0,0|2,0,0]=4 69 B13R2.26 CNCC1=CC2=C(N1)C=CC=C2 CDS001796 [1,0,1,0,0,0|0,0,0]=2 70 B13R2.26 COCC1=NC2=C(N1)C=CC=C2 PH009932 [1,0,1,0,0,0|2,0,0]=4 71 B13R2.26 N1C(=NC2=C1C=CC=C2)CCC S556742 [1,0,1,0,0,0|1,0,0]=3 72 B13R2.26 N1C(=NC2=C1C=CC=C2)CCO S358088 [1,0,1,0,0,0|2,0,0]=4 73 B13R2.26 NCCC1=NC2=C(N1)C=CC=C2 CDS013765 [1,0,1,0,0,0|1,0,0]=3 74 B13R2.26 NCCC1=NC2=C(N1)C=CC=C2 L300756 [1,0,1,0,0,0|1,0,0]=3 75 B13R2.26 NCCC1=NC2=C(S1)C=CC=C2 CBR02450 [1,0,1,0,0,0|1,0,1]=4 76 B13R2.26 NCCC1=NC2=CC=CC=C2O1 CBR02454 [1,0,1,0,0,0|1,0,1]=4 77 B13R2.26 NNCC1=CC2=CC=CC=C2O1 PH019448 [1,0,1,0,0,0|2,0,0]=4 78 B13R2.26 OCCC1=NC2=C(N1)C=CC=C2 R999865 [1,0,1,0,0,0|2,0,0]=4 79 B13R2.45 CCC1=[N+](C2=C(S1)C=CC=C2)C S264539 [1,0,1,0,0,0|2,0,0]=4 80 B13R2.45 CN1C2=CC=CC=C2N=C1CN CDS023403 [1,0,1,0,0,0|1,0,1]=4 81 B13R2.45 NCC1=C(C2=CC=CC=C2S1)Cl CBR01694 [1,0,1,0,0,0|2,0,0]=4 82 B13R2.135 CC[N+]1=C(SC2=C1C=CC=C2)C L201685 [1,0,1,0,0,0|2,0,0]=4 83 B13R2.135 NCC1=C(NC2=CC=CC=C12)O PH019069 [1,0,1,0,0,0|1,0,0]=3 84 B15R2.73 N1C=C(C2=C1C=CC=C2)C(=O)CCC S407003 [0,1,1,0,0,0|1,0,1]=4 85 B15R2.17719 OCCCC1=CNC2=C1C=C(C=C2)Cl OTV000676 [0,1,1,0,0,0|2,0,0]=4 86 B15R2.31 O=C1C=C(CCC1)NC2=CC=CC=C2 TMT00599 [0,1,1,0,0,0|1,0,1]=4 87 B15R2.38 O=C1CCCCC1NC2=CC=CC=C2 CBR01766 [0,1,1,0,0,0|1,0,1]=4 88 B15R2.38 O=C1CNCCN1CC2=CC=CC=C2 CDS020278 [0,1,1,0,0,0|2,0,0]=4 89 B15R2.2226 O=S(C1=CC=CC=C1)C2=CCCCC2 T199109 [0,1,1,0,0,0|2,0,0]=4 90 B15R2.89 CN1C(=NC2=C1C=CC=C2)CCCN CBR01275 [0,1,1,0,0,0|1,0,1]=4 91 B15R2.346 CNCCC1=NC2=C(N1)C=CC(=C2)F PH019297 [0,1,1,0,0,0|1,0,0]=3 92 B15R2.346 CNCCC1=NC2=CC(=CC=C2N1)Cl CBR02310 [0,1,1,0,0,0|1,0,0]=3 93 B15R2.1356 CNCC(O)C1=CC2=C(O1)C=CC=C2 PH008828 [0,1,1,0,0,0|1,0,0]=3 94 B15R2.2203 CCCCCC1=NC2=C(N1)C=CC=C2 PH010523 [0,1,1,0,0,0|2,0,0]=4 95 B15R2.2203 CCCCSC1=NC2=C(N1)C=CC=C2 S239313 [0,1,1,0,0,0|2,0,0]=4 96 B15R2.19393 N1C(=C(C2=C1C=CC=C2)C(=O)CC)C S353450 [0,1,1,0,0,0|1,0,1]=4 97 B15R2.56717 CC1=CC2=C(C=C1)NC(=C2CCN)C PH017066 [0,1,1,0,0,0|2,0,0]=4 98 B15R3.2009 CN1CC2=C(C1)C3=CC=CC=C3N2 PH007881 [0,1,0,0,1,0|0,0,0]=2 99 B15R3.10591 BrC1=CC=C2NC3=C(C2=C1)CCC3 CDS020817 [0,1,0,0,1,0|0,0,0]=2 100 B17R3.31 NC1=CC2=C(C=C1)C3=C(C=C2)CCCC3 S722537 [0,1,0,0,0,1|2,0,0]=4 101 B17R3.4465 OC1CCCC2=C1C=CC3=C2C=CC=C3 T153761 [0,1,0,0,0,1|2,0,0]=4 102 B17R3.35227 NC1=C2C=CC=CC2=NC3=C1CCCC3 PH011632 [0,1,0,0,0,1|1,0,1]=4 103 B17R3.35227 NC1=C2CCCCC2=NC3=CC=CC=C13 CDS021473 [0,1,0,0,0,1|1,0,1]=4 104 B17R3.35227 O=C1C2=C(C=CC=C2)OC3=C1CCCC3 T165131 [0,1,0,0,0,1|2,0,0]=4 105 B17R3.4427 CN1CCCC2=C(C1)C3=CC=CC=C3N2 PH001472 [0,1,0,0,0,1|0,0,0]=2 106 B17R3.5121 O=C1NCCCC2=C1NC3=C2C=CC=C3 PH007549 [0,1,0,0,0,1|1,0,1]=4 107 B17R3.31653 BrC1=CC=C2NC3=C(C2=C1)CCNCC3 PH018978 [0,1,0,0,0,1|0,0,0]=2 108 B17R3.1513 COC1=CC=C2NC3=C(C2=C1)CCCC3 PH003291 [0,2,0,0,0,0|1,0,0]=3 109 B17R3.1513 COC1=CC=C2NC3=C(C2=C1)CNCC3 CDS017885 [0,2,0,0,0,0|0,0,0]=2 110 B17R3.34483 CN1CC(=O)C2=C(C1)C3=C(N2)C=CC=C3 PH001521 [0,2,0,0,0,0|0,0,1]=3 111 B17R3.34483 CN1CC2=C(NC3=C2C=CC=C3)C(C1)O PH009607 [0,2,0,0,0,0|0,0,0]=2 112 B17R3.284867 CC1=CC=C2NC3=C(C2=C1)CCCC3=O TMT00335 [0,2,0,0,0,0|1,0,1]=4 113 B17R3.284867 O=C1CCCC2=C1NC3=C2C=C(C=C3)Br CDS020822 [0,2,0,0,0,0|1,0,1]=4 114 B17R3.1577 COC1=CC=C2C(=C1)NC3=C2CCCC3 PH007122 [0,2,0,0,0,0|1,0,0]=3 115 B17R3.51174 CN1C2=C(C=CC=C2)C3=C1C(=O)CCC3 CBR00507 [0,2,0,0,0,0|1,0,1]=4 116 B17R3.4408 CN1C2=C(C=CC=C2)C3=C1CCCC3=O PH000168 [0,2,0,0,0,0|1,0,1]=4 117 B17R3.83064 O/N=C/1\CCCC2=C1C3=C(N2)C=CC=C3 PH011537 [0,2,0,0,0,0|1,0,1]=4 118 B13R2.64 C1=CC=C(C=C1)NC2=NCCS2 S539244 [0,0,1,0,1,0|2,0,0]=4 119 B13R2.64 C1=CC=C(C=C1)NC2CCCC2 PH011144 [0,0,1,0,1,0|0,0,2]=4 120 B13R2.64 C1=CC=C(C=C1)SC2=COCC2 T251194 [0,0,1,0,1,0|2,0,0]=4 121 B13R2.64 C1=CC=C(C=C1)[Se]C2=CCCO2 T292648 [0,0,1,0,1,0|2,0,0]=4 122 B13R2.15 NC1=NCCN1C2=CC=CC=C2 PH014022 [0,0,1,0,1,0|2,0,0]=4 123 B13R2.15 NN1CCCC1C2=CC=CC=C2 PH011021 [0,0,1,0,1,0|1,0,1]=4 124 B13R2.15 N[C@H]1CCC[C@@H]1C2=CC=CC=C2 PH018837 [0,0,1,0,1,0|0,0,2]=4 125 B13R2.18 CC1=CC=CC=C1C2=NCCC2 PH007172 [0,0,1,0,1,0|2,0,0]=4 126 B13R2.18 ClC1=C(C=CC=C1)C2=NCCN2 PH008650 [0,0,1,0,1,0|2,0,0]=4 127 B13R2.18 ClC1=CC=CC=C1C2CCNC2 CDS020276 [0,0,1,0,1,0|1,0,1]=4 128 B13R2.18 SC1=CC=CC=C1C2=CCCN2 L163147 [0,0,1,0,1,0|1,0,0]=3 129 B15R2.352 CCCCC1=NC2=C(C=CC=C2)C=C1 S825042 [0,0,1,0,0,1|2,0,0]=4 130 B15R2.18471 CCOCC1=CC=CC2=C1C=CC=C2 S349445 [0,0,1,0,0,1|2,0,0]=4 131 B15R2.886 NCCC1=NC2=CC=CC=C2C(=O)N1 CBR02311 [0,0,1,0,0,1|1,0,1]=4 132 B15R2.117 CCC1=NC2=C(C=CC=C2)N=C1CC L131806 [0,0,1,0,0,1|1,0,1]=4 133 B17R3.1829 C1=CC2=NC3=C(CCCCC3)N=C2C=C1 PH000724 [0,0,0,0,0,2|1,0,1]=4