0 B14R1.716 CCC(=O)OCCCC1=CC=CC=C1 S528544 [0,0,0,0,0,0|0,0,2]=2 1 B14R1.716 CCC(=O)OCCOC1=CC=CC=C1 S528463 [0,0,0,0,0,0|1,0,1]=2 2 B14R1.716 COC(=O)CCOCC1=CC=CC=C1 PH011057 [0,0,0,0,0,0|3,0,1]=4 3 B14R1.716 COC(=O)CCSCC1=CC=CC=C1 S614165 [0,0,0,0,0,0|3,0,1]=4 4 B14R1.716 O=C(CCl)NCCCC1=CC=CC=C1 TMT00612 [0,0,0,0,0,0|2,0,2]=4 5 B14R1.716 O=C(CCl)OCC=CC1=CC=CC=C1 S240230 [0,0,0,0,0,0|1,0,0]=1 6 B13R1.28 CCCCC/N=C\C1=CC=CC=C1 PH008433 [1,0,0,0,0,0|2,0,1]=4 7 B13R1.28 N#CCOC/C=C/C1=CC=CC=C1 S60055 [1,0,0,0,0,0|1,0,2]=4 8 B13R1.337 CC(=O)OCCSC1=CC=CC=C1 S866393 [1,0,0,0,0,0|1,0,1]=3 9 B13R1.337 NC(=O)OCCCC1=CC=CC=C1 PH006883 [1,0,0,0,0,0|1,0,2]=4 10 B15R1.741 CCC(C)OC(=O)/C=C/C1=CC=CC=C1 PH000647 [0,1,0,0,0,0|1,0,2]=4 11 B15R1.778 CCOC(=O)NCCCC1=CC=CC=C1 PH008019 [0,1,0,0,0,0|1,0,2]=4 12 B15R1.959 COC(=O)CCNC(=O)C1=CC=CC=C1 S883689 [0,1,0,0,0,0|3,0,0]=4 13 B15R1.964 COC(=O)CCC(=O)NC1=CC=CC=C1 S502111 [0,1,0,0,0,0|3,0,0]=4 14 B15R1.1321 CCC(=O)[C@@H](C)COCC1=CC=CC=C1 T290947 [0,1,0,0,0,0|2,0,1]=4 15 B15R2.4 COC(=O)CN1C=CC2=CC=CC=C12 PH010995 [0,0,0,1,0,0|3,0,0]=4 16 B15R2.17 CCC1=CC(=CC=C1)C2=CC=CC=C2 R247014 [0,0,0,1,0,0|2,0,1]=4 17 B15R2.17 CCC1=[O+]C(=CC=C1)C2=CC=CC=C2 R252522 [0,0,0,1,0,0|1,0,2]=4 18 B15R2.29 CC1CCC(=CC2=CC=CC=C2)CC1 S846139 [0,0,0,1,0,0|2,0,1]=4 19 B15R2.29 O=C1CCC(CC1)SC2=CC=CC=C2 T282928 [0,0,0,1,0,0|2,0,1]=4 20 B15R2.283 CC1COC(O1)/C=C/C2=CC=CC=C2 S947539 [0,0,0,1,0,0|2,0,1]=4 21 B15R2.283 O=C1NCC(O1)COC2=CC=CC=C2 PH008101 [0,0,0,1,0,0|2,0,1]=4 22 B15R2.79765 CCC(=O)C1=CC=CC2=C1C=CC=C2 T256250 [0,0,0,1,0,0|1,0,1]=3 23 B15R2.79765 CNC(=O)C1=CC=CC2=CC=CC=C12 PH001384 [0,0,0,1,0,0|2,0,1]=4 24 B15R2.79765 COC(=O)C1=CC=CC2=C1C=CC=C2 S839345 [0,0,0,1,0,0|2,0,1]=4 25 B15R2.79765 O=C(CBr)C1=CC=CC2=CC=CC=C12 PH015271 [0,0,0,1,0,0|2,0,1]=4 26 B13R1.718 COC(=O)CCCC1=CC=CC=C1 PH010421 [0,0,0,0,1,0|1,0,2]=4 27 B13R1.718 COC(=O)CCOC1=CC=CC=C1 S363723 [0,0,0,0,1,0|2,0,1]=4 28 B13R1.718 COC(=O)CCSC1=CC=CC=C1 S614378 [0,0,0,0,1,0|2,0,1]=4 29 B13R1.718 COC(=O)CSCC1=CC=CC=C1 S614149 [0,0,0,0,1,0|2,0,1]=4 30 B13R1.718 O=C(CBr)NCCC1=CC=CC=C1 CDS006204 [0,0,0,0,1,0|2,0,1]=4 31 B13R1.718 O=C(CCl)NCCC1=CC=CC=C1 R397792 [0,0,0,0,1,0|2,0,1]=4 32 B12R1.8 CCCCN=CC1=CC=CC=C1 S381322 [2,0,0,0,0,0|1,0,1]=4 33 B14R1.423 CC(=O)OC[C@@H](C)CC1=CC=CC=C1 T287105 [1,1,0,0,0,0|0,0,2]=4 34 B14R1.818 CC(=O)OC(C)CCC1=CC=CC=C1 S460575 [1,1,0,0,0,0|0,0,2]=4 35 B14R1.818 CC(=O)OC(C)COC1=CC=CC=C1 PH006975 [1,1,0,0,0,0|1,0,1]=4 36 B14R1.6449 N[C@@H](C/C=C/C1=CC=CC=C1)C(=O)O CDS005069 [1,1,0,0,0,0|2,0,0]=4 37 B14R1.6449 N[C@H](C/C=C/C1=CC=CC=C1)C(=O)O CDS005975 [1,1,0,0,0,0|2,0,0]=4 38 B14R1.13 CCC(=O)NCCC1=CC=C(C=C1)Br R343358 [0,1,0,0,1,0|1,0,1]=4 39 B14R1.163 COC(=O)CNC(=O)C1=CC=CC=C1 S750115 [0,1,0,0,1,0|2,0,0]=4 40 B14R1.743 CCC(=O)NC(=O)NC1=CC=CC=C1 S856290 [0,1,0,0,1,0|2,0,0]=4 41 B16R1.929 CCOC(=O)CCCC(=O)C1=CC=CC=C1 S771031 [0,2,0,0,0,0|1,0,1]=4 42 B16R1.934 CCOC(=O)CCC(=O)NC1=CC=CC=C1 R624896 [0,2,0,0,0,0|2,0,0]=4 43 B14R2.1253 C1=CC=C(C=C1)C2=CCCCCC2 S39382 [1,0,0,1,0,0|1,0,1]=4 44 B14R2.19 O=C1C=C(CO1)NC2=CC=CC=C2 S811505 [1,0,0,1,0,0|1,0,1]=4 45 B14R2.68 O=C1CCC(=NN1)C2=CC=CC=C2 R818577 [0,0,0,1,1,0|2,0,0]=4 46 B14R2.68 O=C1CCC(=NN1)C2=CC=CC=C2 S199303 [0,0,0,1,1,0|2,0,0]=4 47 B14R2.68 O=C1CCP(CC1)C2=CC=CC=C2 R224480 [0,0,0,1,1,0|1,0,1]=4 48 B14R2.95 CCC(=O)N1C=CC2=C1C=CC=C2 S364282 [0,0,0,1,1,0|1,0,0]=3 49 B14R2.95 N1C=C(C2=C1C=CC=C2)C(=O)CC S370452 [0,0,0,1,1,0|1,0,1]=4 50 B14R2.280 O=C1CCC2=CC=CC=C2CCN1 T176400 [0,0,0,1,1,0|1,0,1]=4 51 B14R2.4514 CC1C(=CCN1C)C2=CC=CC=C2 PH012736 [0,0,0,1,1,0|2,0,0]=4 52 B14R2.4514 CC1C(=O)NN=C1C2=CC=CC=C2 PH009507 [0,0,0,1,1,0|2,0,0]=4 53 B16R2.170412 CCC(=O)NC1=CC=CC2=C1C=CC=C2 S555614 [0,0,0,1,0,1|1,0,1]=4 54 B16R2.170412 CCC(=O)OC1=CC=CC2=C1C=CC=C2 R752010 [0,0,0,1,0,1|0,0,1]=3 55 B16R2.5347 CNC(=O)OC1=CC2=C(C=CC=C2)C=C1 S724734 [0,1,0,1,0,0|1,0,1]=4 56 B16R2.5347 O=C(CCl)OC1=CC2=CC=CC=C2C=C1 R397024 [0,1,0,1,0,0|1,0,1]=4 57 B16R2.5 CCCC(=O)OC1=CNC2=CC=CC=C12 S765198 [0,1,0,1,0,0|1,0,1]=4 58 B16R2.160202 CCOC(=O)C1=CC=CC2=C1C=CC=C2 S561460 [0,1,0,1,0,0|1,0,1]=4 59 B16R2.160202 COCC(=O)N1CC=CC2=C1C=CC=C2 PH008280 [0,1,0,1,0,0|1,0,0]=3 60 B16R2.33951 CCC(=O)N1CC(=O)NC2=C1C=CC=C2 T326631 [0,1,0,1,0,0|2,0,0]=4 61 B16R2.11414 CC1=C(C=CC=C1)OCC2CCC(=O)O2 PH008115 [0,1,0,1,0,0|1,0,1]=4 62 B16R2.244415 CC(C)C(=O)C1=CC=CC2=C1C=CC=C2 T288284 [0,1,0,1,0,0|1,0,1]=4 63 B16R3.17428 O=C1OCC2=CC3=C(C=CC=C3)C=C12 S337137 [0,0,0,2,0,0|0,0,2]=4 64 B12R1.252 CC(=C/C=C/C1=CC=CC=C1)C S881589 [1,0,0,0,1,0|1,0,1]=4 65 B12R1.252 CC(=O)CCSC1=CC=CC=C1 S635030 [1,0,0,0,1,0|1,0,1]=4 66 B12R1.252 CC(=O)CSCC1=CC=CC=C1 S646199 [1,0,0,0,1,0|1,0,1]=4 67 B12R1.252 CC(=O)N/N=C/C1=CC=CC=C1 S872245 [1,0,0,0,1,0|2,0,0]=4 68 B12R1.252 CC(=O)NCCC1=CC=CC=C1 S581887 [1,0,0,0,1,0|1,0,1]=4 69 B12R1.252 CC(=O)OCCC1=NC=CC=C1 PH006794 [1,0,0,0,1,0|1,0,1]=4 70 B12R1.252 CC(=O)O[Hg]CC1=CC=CC=C1 S881120 [1,0,0,0,1,0|1,0,1]=4 71 B12R1.252 CN(C)C/C=C/C1=CC=CC=C1 S933392 [1,0,0,0,1,0|2,0,0]=4 72 B12R1.27 CCC(=O)/C=C/C1=CC=CC=C1 PH002923 [0,0,0,0,2,0|0,0,0]=2 73 B12R1.27 CCC(=O)CCC1=CC=CC=C1 S570338 [0,0,0,0,2,0|0,0,1]=3 74 B12R1.27 CCC(=O)NNC1=CC=CC=C1 S557188 [0,0,0,0,2,0|2,0,0]=4 75 B12R1.27 CCC(=O)O[Hg]C1=CC=CC=C1 S522473 [0,0,0,0,2,0|1,0,0]=3 76 B12R1.27 CNC(=O)OCC1=CN=CC=C1 PH009398 [0,0,0,0,2,0|2,0,0]=4 77 B12R1.27 COC(=O)C=CC1=CC=NC=C1 S409413 [0,0,0,0,2,0|2,0,0]=4 78 B12R1.27 COC(=O)NCC1=CC=CC=C1 S594148 [0,0,0,0,2,0|2,0,0]=4 79 B12R1.27 CSC(=S)OCC1=CC=CC=C1 S863475 [0,0,0,0,2,0|1,1,0]=4 80 B12R1.27 NCC(=O)OCC1=CC=CC=C1 S678368 [0,0,0,0,2,0|1,0,0]=3 81 B12R1.27 O=C(CBr)NCC1=CC=CC=C1 CBR01981 [0,0,0,0,2,0|2,0,0]=4 82 B12R1.27 O=C(CCl)CCC1=CC=CC=C1 PH016229 [0,0,0,0,2,0|1,0,1]=4