0 B12R1.8 CCCCN=CC1=CC=CC=C1 S381322 [0,0,0,0,0,0|3,0,1]=4 1 B12R1.8 CNCC/C=C/C1=CN=CC=C1 PH006788 [0,0,0,0,0,0|4,0,0]=4 2 B12R1.8 N#CSC/C=C/C1=CC=CC=C1 R414808 [0,0,0,0,0,0|1,1,1]=3 3 B11R1.28 C/C=C/COC1=CC=CC=C1 S767832 [1,0,0,0,0,0|3,0,0]=4 4 B11R1.28 C/C=C/CSC1=CC=CC=C1 S746207 [1,0,0,0,0,0|3,0,0]=4 5 B11R1.28 C=CCNCC1=CC=CC=C1 ANV00005 [1,0,0,0,0,0|2,0,1]=4 6 B11R1.28 C=CCNCC1=CC=CC=C1 CBR01347 [1,0,0,0,0,0|2,0,1]=4 7 B11R1.28 CCC/C=C/C1=CC=CC=C1 S579645 [1,0,0,0,0,0|1,0,1]=3 8 B11R1.28 CCCN=CC1=CC=CC=C1 S376639 [1,0,0,0,0,0|2,0,1]=4 9 B11R1.28 CCO/C=C/C1=CC=CC=C1 S722103 [1,0,0,0,0,0|1,0,1]=3 10 B11R1.28 COCCOC1=CC=CC=C1 S793000 [1,0,0,0,0,0|1,0,2]=4 11 B11R1.28 COCCSC1=CC=CC=C1 TMT00668 [1,0,0,0,0,0|1,0,2]=4 12 B11R1.28 Cl/C=C/CSC1=CC=CC=C1 S722243 [1,0,0,0,0,0|3,0,0]=4 13 B11R1.28 NOCCOC1=CC=CC=C1 CDS015326 [1,0,0,0,0,0|2,0,1]=4 14 B11R1.28 O/N=C/C=C/C1=CC=CC=C1 S566209 [1,0,0,0,0,0|1,0,2]=4 15 B11R1.28 OCC/N=C/C1=CC=CC=C1 PH007114 [1,0,0,0,0,0|1,0,2]=4 16 B13R1.24 C=CCCOC(=O)C1=CC=CC=C1 T273716 [0,1,0,0,0,0|3,0,0]=4 17 B13R1.28 N#CCOC/C=C/C1=CC=CC=C1 S60055 [0,1,0,0,0,0|1,0,1]=3 18 B13R1.28 O=CNCCCCC1=CC=CC=C1 PH000636 [0,1,0,0,0,0|1,0,2]=4 19 B13R1.44 C(=O)NNC(=S)NC1=CC=CC=C1 S869368 [0,1,0,0,0,0|3,0,0]=4 20 B13R1.337 CC(=O)OCCSC1=CC=CC=C1 S866393 [0,1,0,0,0,0|1,0,1]=3 21 B13R1.337 NC(=O)CCSCC1=CC=CC=C1 S620157 [0,1,0,0,0,0|2,0,1]=4 22 B13R1.337 NC(=O)OCCCC1=CC=CC=C1 PH006883 [0,1,0,0,0,0|0,0,2]=3 23 B13R1.337 O=C(Cl)CCCOC1=CC=CC=C1 CDS000728 [0,1,0,0,0,0|2,0,1]=4 24 B13R1.337 O=C(O)CCNCC1=CC=CC=C1 PH010076 [0,1,0,0,0,0|2,0,1]=4 25 B13R1.337 O=C(O)CCOCC1=CC=CC=C1 ANV00333 [0,1,0,0,0,0|2,0,1]=4 26 B13R1.337 O=C(O)CCSCC1=CC=CC=C1 S541575 [0,1,0,0,0,0|2,0,1]=4 27 B13R2.3 C1=CC=C(C=C1)C2=CCNCC2 CDS005086 [0,0,0,1,0,0|2,0,1]=4 28 B13R2.15 CC1=NNC=C1C2=CC=CC=C2 CDS000781 [0,0,0,1,0,0|3,0,0]=4 29 B13R2.15 NC1=C(C=NO1)C2=CC=CC=C2 JRD0169 [0,0,0,1,0,0|2,0,0]=3 30 B13R2.15 NC1=C(C=NO1)C2=CC=CC=N2 PH017181 [0,0,0,1,0,0|3,0,0]=4 31 B13R2.15 O=C1NCCC1C2=CC=CC=C2 PH002073 [0,0,0,1,0,0|1,0,2]=4 32 B13R2.67 C1=CC2=C(C=C1)CC=CCC=C2 T185787 [0,0,0,1,0,0|2,0,0]=3 33 B13R2.67 C1=CC=CC2=C(C=C1)C=CC=C2 T185752 [0,0,0,1,0,0|2,0,1]=4 34 B13R2.1613 O=CC1=CC=CC2=C1C=CC=N2 CDS000968 [0,0,0,1,0,0|2,0,1]=4 35 B13R2.5252 O=C1CCCSC2=C1C=CC=C2 S761877 [0,0,0,1,0,0|2,0,1]=4 36 B13R2.5252 O=C1NCCCC2=CC=CC=C12 CDS005171 [0,0,0,1,0,0|1,0,2]=4 37 B13R2.5252 O=C1NCCSC2=C1C=CC=C2 S682403 [0,0,0,1,0,0|2,0,1]=4 38 B10R1.17 C(=C/SC1=CC=CC=C1)\C T281522 [2,0,0,0,0,0|2,0,0]=4 39 B10R1.17 C(=C\C1=CC=CC=C1)\CN S302880 [2,0,0,0,0,0|1,0,0]=3 40 B10R1.17 C(=O)CSC1=CC=CC=C1 T216623 [2,0,0,0,0,0|1,0,0]=3 41 B10R1.17 C(=O)NNC1=CC=CC=C1 S984272 [2,0,0,0,0,0|2,0,0]=4 42 B10R1.17 C/C=C/SC1=CC=CC=C1 T282642 [2,0,0,0,0,0|2,0,0]=4 43 B10R1.17 C=CCSC1=CC=CC=C1 S614246 [2,0,0,0,0,0|2,0,0]=4 44 B10R1.17 CSC=CC1=CC=CC=C1 S332976 [2,0,0,0,0,0|0,1,1]=4 45 B12R1.1 CCC/C=C/C1=CC=C(C=C1)Cl PH008528 [1,1,0,0,0,0|1,0,1]=4 46 B12R1.1 O=CNCCC1=CC=C(C=C1)Br PH000598 [1,1,0,0,0,0|1,0,1]=4 47 B12R1.1 O=CNCCC1=CC=C(C=C1)O PH010511 [1,1,0,0,0,0|1,0,1]=4 48 B12R1.30 C=CCNC(=O)C1=CC=CC=C1 S884553 [1,1,0,0,0,0|2,0,0]=4 49 B12R1.30 C=CCOC(=O)C1=CC=CC=C1 S437867 [1,1,0,0,0,0|2,0,0]=4 50 B12R1.30 O=C(/C=C/O[Na])C1=CC=CC=C1 TMT00060 [1,1,0,0,0,0|1,0,1]=4 51 B12R1.32 O=CNC(=O)CC1=CC=CC=C1 S909793 [1,1,0,0,0,0|1,0,1]=4 52 B12R1.32 O=CNC(=O)NC1=CC=CC=C1 S856495 [1,1,0,0,0,0|2,0,0]=4 53 B12R1.252 CC(=C/C=C/C1=CC=CC=C1)C S881589 [1,1,0,0,0,0|1,0,1]=4 54 B12R1.252 CC(=O)CCSC1=CC=CC=C1 S635030 [1,1,0,0,0,0|1,0,1]=4 55 B12R1.252 CC(=O)CSCC1=CC=CC=C1 S646199 [1,1,0,0,0,0|1,0,1]=4 56 B12R1.252 CC(=O)N/N=C/C1=CC=CC=C1 S872245 [1,1,0,0,0,0|2,0,0]=4 57 B12R1.252 CC(=O)NCCC1=CC=CC=C1 S581887 [1,1,0,0,0,0|1,0,1]=4 58 B12R1.252 CC(=O)OCCC1=NC=CC=C1 PH006794 [1,1,0,0,0,0|1,0,1]=4 59 B12R1.252 CC(=O)O[Hg]CC1=CC=CC=C1 S881120 [1,1,0,0,0,0|1,0,1]=4 60 B12R1.252 CN(C)C/C=C/C1=CC=CC=C1 S933392 [1,1,0,0,0,0|1,0,1]=4 61 B12R1.252 NC(=O)CCCC1=CC=CC=C1 S669202 [1,1,0,0,0,0|0,0,2]=4 62 B12R1.252 NC(=O)CSCC1=CC=CC=C1 S614386 [1,1,0,0,0,0|1,0,1]=4 63 B12R1.252 NC(=O)NCCC1=CC=CC=C1 PH010316 [1,1,0,0,0,0|1,0,1]=4 64 B12R1.252 O=C(Cl)CCCC1=CC=CC=C1 PH000271 [1,1,0,0,0,0|0,0,2]=4 65 B12R1.252 O=C(O)CCNC1=CC=CC=C1 R155780 [1,1,0,0,0,0|1,0,1]=4 66 B12R1.252 O=C(O)CCSC1=CC=CC=C1 L305855 [1,1,0,0,0,0|1,0,1]=4 67 B12R1.252 O=C(O)CC[Te]C1=CC=CC=C1 S949442 [1,1,0,0,0,0|1,0,1]=4 68 B12R1.267 O=CN/N=C/C1=CC=CC=C1O L496960 [1,1,0,0,0,0|2,0,0]=4 69 B14R1.29 C(=O)CC(C)NC(=O)C1=CC=CC=C1 T297674 [0,2,0,0,0,0|2,0,0]=4 70 B14R1.38 O=CCCCCC(=O)C1=CC=CC=C1 T270512 [0,2,0,0,0,0|1,0,1]=4 71 B14R1.422 CC(=O)N/N=C/C=C/C1=CC=CC=C1 R711543 [0,2,0,0,0,0|1,0,1]=4 72 B14R1.422 CC(=O)OCCCSC1=CC=CC=C1 S866563 [0,2,0,0,0,0|0,0,2]=4 73 B14R1.422 NC(=O)N/N=C/C=C/C1=CC=CC=C1 R698792 [0,2,0,0,0,0|1,0,1]=4 74 B14R1.716 CCC(=O)OCCCC1=CC=CC=C1 S528544 [0,2,0,0,0,0|0,0,2]=4 75 B14R1.716 CCC(=O)OCCOC1=CC=CC=C1 S528463 [0,2,0,0,0,0|1,0,1]=4 76 B14R1.716 O=C(CCl)OCC=CC1=CC=CC=C1 S240230 [0,2,0,0,0,0|0,0,0]=2 77 B14R1.818 CC(=O)OC(C)CCC1=CC=CC=C1 S460575 [0,2,0,0,0,0|0,0,2]=4 78 B14R1.818 CC(=O)OC(C)COC1=CC=CC=C1 PH006975 [0,2,0,0,0,0|1,0,1]=4 79 B14R1.818 NC(=O)NC(=O)/C=C/C1=CC=CC=C1 PH007348 [0,2,0,0,0,0|1,0,1]=4 80 B14R1.423 CC(=O)OC[C@@H](C)CC1=CC=CC=C1 T287105 [0,2,0,0,0,0|0,0,2]=4 81 B14R1.423 O=C(O)CCC(=O)NC1=CC=CC=C1 S700983 [0,2,0,0,0,0|2,0,0]=4 82 B14R1.423 O=C(O)CCC(=O)OC1=CC=CC=C1 PH009559 [0,2,0,0,0,0|2,0,0]=4 83 B14R1.6449 N[C@@H](C/C=C/C1=CC=CC=C1)C(=O)O CDS005069 [0,2,0,0,0,0|1,0,0]=3 84 B14R1.6449 N[C@H](C/C=C/C1=CC=CC=C1)C(=O)O CDS005975 [0,2,0,0,0,0|1,0,0]=3 85 B12R2.2 C1=CC=C(C=C1)C2=CCCC2 L170011 [1,0,0,1,0,0|1,0,1]=4 86 B12R2.2 C1=CC=C(C=C1)C2=CN=CO2 CDS018116 [1,0,0,1,0,0|1,0,1]=4 87 B12R2.2 C1=CC=C(C=C1)C2=NOC=C2 JRD0165 [1,0,0,1,0,0|1,0,1]=4 88 B12R2.41 C1=CC2=C(C=C1)CCCC=C2 T254290 [1,0,0,1,0,0|1,0,1]=4 89 B12R2.1081 NC1=CC=CC2=CC=CC=C12 CDS019944 [1,0,0,1,0,0|1,0,1]=4 90 B12R2.1081 O=C1C=CSC2=C1C=CC=C2 S849510 [1,0,0,1,0,0|1,0,1]=4 91 B12R2.1081 O=C1CCNC2=CC=CC=C12 CDS014814 [1,0,0,1,0,0|1,0,1]=4 92 B12R2.1081 O=C1COCC2=CC=CC=C12 PH016275 [1,0,0,1,0,0|1,0,1]=4 93 B12R2.1081 O=C1ON=CC2=C1C=CC=C2 PH008604 [1,0,0,1,0,0|1,0,0]=3 94 B12R2.1081 [PbH2]1SOC(=O)C2=C1C=CC=C2 S839485 [1,0,0,1,0,0|2,0,0]=4 95 B14R2.21 N1C(=O)C=CC=C1C2=CC=CC=C2 CDS000112 [0,1,0,1,0,0|1,0,1]=4 96 B14R2.926 CC1=CC=C(C=C1)C2=C(ON=C2)N JRD0170 [0,1,0,1,0,0|2,0,0]=4 97 B14R2.926 NC1=C(C=NO1)C2=CC=C(C=C2)Cl JRD0171 [0,1,0,1,0,0|2,0,0]=4 98 B14R2.926 NC1=C(C=NO1)C2=CC=C(C=C2)F JRD0172 [0,1,0,1,0,0|2,0,0]=4 99 B14R2.4510 O=C1O[Cu]OC(=O)C2=C1C=CC=C2 S946745 [0,1,0,1,0,0|2,0,0]=4 100 B14R2.14 O=CC1=CC=CN1C2=CC=CC=C2 CDS004610 [0,1,0,1,0,0|1,0,1]=4 101 B14R2.7150 C(=O)NC1=CC=CC2=C1C=CC=C2 S504084 [0,1,0,1,0,0|1,0,1]=4 102 B14R2.19 O=C1C=C(CO1)NC2=CC=CC=C2 S811505 [0,1,0,1,0,0|1,0,0]=3 103 B14R2.19 O=C1N[C@H](CO1)CC2=CC=CC=C2 PH000320 [0,1,0,1,0,0|0,0,2]=4 104 B14R2.277 CC1=C(C(=O)NC1)C2=CC=CC=C2 T320811 [0,1,0,1,0,0|1,0,0]=3 105 B14R2.277 O=C1CCC(=O)N1C2=CC=CC=C2 T284173 [0,1,0,1,0,0|2,0,0]=4 106 B14R2.277 O=C1CNC(=O)N1C2=CC=CC=C2 L158313 [0,1,0,1,0,0|2,0,0]=4 107 B14R2.277 O=C1CSC(=O)N1C2=CC=CC=C2 S839124 [0,1,0,1,0,0|1,1,0]=4 108 B14R2.277 O=C1SSC(=C1C2=CC=CC=C2)Cl PH008641 [0,1,0,1,0,0|1,1,0]=4 109 B14R2.287 O=C1CCC(=O)C2=CC=CC=C2N1 PH006911 [0,1,0,1,0,0|2,0,0]=4 110 B14R2.391 O=C1C=CC=CC2=CC=CC=C2N1 T176494 [0,1,0,1,0,0|1,0,1]=4 111 B14R2.517 C(=O)NC1C(=O)NC2=C1C=CC=C2 R462373 [0,1,0,1,0,0|2,0,0]=4 112 B14R2.2 O=C(O)CN1C=CC2=C1C=CC=C2 S547115 [0,1,0,1,0,0|2,0,0]=4 113 B14R2.31359 NC(=O)C1=CC=CC2=C1C=CC=C2 PH011547 [0,1,0,1,0,0|1,0,1]=4 114 B14R2.296 CC1=CC=CC=C1C2=C(ON=C2)N JRD1362 [0,1,0,1,0,0|2,0,0]=4