0 B9R0.43 CCC(C=CC(=O)C)CC S361704 [0,0,0,0,0,0|1,0,1]=2 1 B9R0.43 CCC(CC)CCC(C)O S414557 [0,0,0,0,0,0|1,0,2]=3 2 B9R0.43 CCN(CC)C/C=C(/C)\Cl PH011893 [0,0,0,0,0,0|3,0,0]=3 3 B9R0.43 CCN(CC)CCC(C)N PH010254 [0,0,0,0,0,0|3,0,1]=4 4 B9R0.43 CCN(CC)CCN(C)C S388521 [0,0,0,0,0,0|4,0,0]=4 5 B8R0.9 CC(=O)OCC(=O)CCl CDS000183 [1,0,0,0,0,0|2,0,1]=4 6 B8R0.9 CC(=O)OCC(O)CCl PH006987 [1,0,0,0,0,0|2,0,0]=3 7 B8R0.9 CC(=O)SCC(C)CCl S344397 [1,0,0,0,0,0|1,1,0]=3 8 B8R0.9 CCC(=O)COC(=O)C S362409 [1,0,0,0,0,0|1,0,1]=3 9 B8R0.11 CC#CCN(CC)CC PH002263 [1,0,0,0,0,0|2,0,1]=4 10 B8R0.11 CCCCC(CC)CCl S431516 [1,0,0,0,0,0|2,0,1]=4 11 B8R0.11 CCCCC(CC)CN CDS000347 [1,0,0,0,0,0|2,0,1]=4 12 B10R0.45 C=CC(=O)NCN(CC)CC PH012251 [0,1,0,0,0,0|2,0,1]=4 13 B10R0.45 CCC(O)CCC(CC)CC S374172 [0,1,0,0,0,0|1,0,2]=4 14 B10R0.84 CCC(COC(=O)C)[N+](=O)[O-] S848859 [0,1,0,0,0,0|2,0,0]=3 15 B10R0.144 CCN(CC)C(=O)CC(=O)C S407623 [0,1,0,0,0,0|2,0,1]=4 16 B10R1.31 CNC1CCN(C1)C(=O)C PH019360 [0,0,0,1,0,0|2,0,0]=3 17 B10R1.66 O=C(O)CCN1CCCC1 CDS002325 [0,0,0,1,0,0|3,0,0]=4 18 B10R1.237 CCC1(CNC(=S)N1)CC T149268 [0,0,0,1,0,0|2,1,0]=4 19 B8R0.16 CC(=O)OC(CCl)CCl PH007003 [0,0,0,0,1,0|2,0,0]=3 20 B8R0.16 CCN(CC)CC(=O)O PH011958 [0,0,0,0,1,0|2,0,0]=3 21 B10R0.77 CCN(CC)CCOC(=O)N PH001085 [0,0,0,0,0,1|2,0,0]=3 22 B10R0.77 CCN(CC)OCCC(=O)O T160954 [0,0,0,0,0,1|3,0,0]=4 23 B7R0.4 C=CCCOC(=O)C S510343 [2,0,0,0,0,0|0,0,2]=4 24 B7R0.4 CC(=O)NCCCO OTV000276 [2,0,0,0,0,0|2,0,0]=4 25 B7R0.4 CC(=O)OCCCS S786683 [2,0,0,0,0,0|1,0,0]=3 26 B7R0.4 CCC/C=C/C(=O)C CDS001219 [2,0,0,0,0,0|1,0,1]=4 27 B7R0.4 CCCCNC(=O)C CDS013581 [2,0,0,0,0,0|1,0,0]=3 28 B7R0.4 CSCCOC(=O)C S375721 [2,0,0,0,0,0|1,0,0]=3 29 B7R0.6 CC(C)CCC(=O)Cl PH015411 [2,0,0,0,0,0|2,0,0]=4 30 B7R0.6 CC(C)COC(=O)N S362840 [2,0,0,0,0,0|1,0,0]=3 31 B7R0.12 CCC(CC)N=C=O CDS019809 [2,0,0,0,0,0|1,0,1]=4 32 B7R0.12 CCC(COC)NN PH019431 [2,0,0,0,0,0|2,0,0]=4 33 B7R0.12 CCN(CC)COC S433551 [2,0,0,0,0,0|1,0,0]=3 34 B7R0.12 CCOC(CC)CN CBR01063 [2,0,0,0,0,0|1,0,1]=4 35 B9R0.24 CCC(C)C#CC(=O)OC T330019 [1,1,0,0,0,0|1,0,1]=4 36 B9R0.24 O=C(CCl)OCC(Br)CBr S556394 [1,1,0,0,0,0|2,0,0]=4 37 B9R0.48 CCC[C@H](C)CCC(=O)O PH008003 [1,1,0,0,0,0|2,0,0]=4 38 B9R0.67 CCCCC(O)(CC)CC S412031 [1,1,0,0,0,0|1,0,1]=4 39 B9R0.14 CC(=O)OC(CCl)CCCl S535990 [0,1,0,0,1,0|1,0,0]=3 40 B9R0.14 CCCC(CC)NC(=O)N S502553 [0,1,0,0,1,0|2,0,0]=4 41 B9R0.63 C#CC(C)(CC)OC(=O)C PH007047 [0,1,0,0,1,0|0,0,2]=4 42 B9R0.63 CCC(C)(CC)OC(=O)C PH008583 [0,1,0,0,1,0|0,0,0]=2 43 B9R0.63 CCC(C)(CC)OC(=O)N PH005006 [0,1,0,0,1,0|1,0,0]=3 44 B11R0.171 CCN(CC)C(=O)CCC(=O)C PH008731 [0,1,0,0,0,1|2,0,0]=4 45 B11R0.134 CCCC(/C=C/C(=O)OC)CC S881686 [0,2,0,0,0,0|1,0,1]=4 46 B11R0.143 CC(=O)OCC(CO)OC(=O)C PH015247 [0,2,0,0,0,0|1,0,1]=4 47 B11R0.146 CCCC(COC(=O)C)[N+](=O)[O-] S886017 [0,2,0,0,0,0|2,0,0]=4 48 B11R0.292 CCC(CC)CC(CC)C(=O)N PH008884 [0,2,0,0,0,0|2,0,0]=4 49 B9R1.1 O=C1CCC(CC1)CO CDS017814 [1,0,0,1,0,0|2,0,0]=4 50 B9R1.35 CC(=O)N1CCC(C1)O CDS023189 [1,0,0,1,0,0|2,0,0]=4 51 B9R1.35 CC(=O)N1CC[C@@H](C1)O CDS023190 [1,0,0,1,0,0|2,0,0]=4 52 B9R1.49 C=C1CCCC(CC1)C T170666 [1,0,0,1,0,0|2,0,0]=4 53 B9R1.49 CC1CNC(=O)CCN1 CBR01349 [1,0,0,1,0,0|2,0,0]=4 54 B9R1.125 CC1(COC(=O)N1)CO S756229 [1,0,0,1,0,0|2,0,0]=4 55 B9R1.12 O=CCCC1CCCC1 CDS023037 [1,0,0,1,0,0|1,0,0]=3 56 B9R1.89 CCC1CCCNCC1 CBR01788 [1,0,0,1,0,0|2,0,0]=4 57 B9R1.2 C=CC1CCCC(=O)O1 T220795 [0,0,0,1,1,0|0,0,2]=4 58 B9R1.2 CCC1COCC(=O)N1 CBR01631 [0,0,0,1,1,0|2,0,0]=4 59 B9R1.13 CC(=O)C=C1CCCC1 L170097 [0,0,0,1,1,0|0,0,2]=4 60 B9R1.13 CC(=O)CC1CCCC1 L162353 [0,0,0,1,1,0|0,0,0]=2 61 B9R1.13 CC(=O)CC1OCCO1 S561088 [0,0,0,1,1,0|2,0,0]=4 62 B9R1.13 CC(=O)OC1CCCC1 CDS018837 [0,0,0,1,1,0|0,0,0]=2 63 B9R1.13 NC(=O)NC1CCCC1 S345148 [0,0,0,1,1,0|2,0,0]=4 64 B9R1.13 O=C(Cl)CC1CCCC1 CDS001438 [0,0,0,1,1,0|1,0,0]=3 65 B9R1.13 O=C(O)CC1CCCO1 CDS001898 [0,0,0,1,1,0|2,0,0]=4 66 B9R1.13 O=C(O)CN1CCCC1 ANV00142 [0,0,0,1,1,0|2,0,0]=4 67 B9R1.13 O=C(O)CN1CCCC1 L481092 [0,0,0,1,1,0|2,0,0]=4 68 B9R1.22 CCC1CC(=O)NN1C PH013333 [0,0,0,1,1,0|2,0,0]=4 69 B11R1.172 O=C(O)COCC1CCCN1 CBR01410 [0,0,0,1,0,1|2,0,0]=4 70 B11R1.1071 CC[N+]1(CCOC(=O)C1)CC S346101 [0,0,0,1,0,1|1,0,0]=3 71 B11R1.75 CC(=O)CCC1CCC(=O)C1 T242535 [0,1,0,1,0,0|1,0,1]=4 72 B11R1.91 CC(=O)CCN1CCCCC1 S429961 [0,1,0,1,0,0|2,0,0]=4 73 B11R1.91 CC(=O)NCC1CCCNC1 CBR01926 [0,1,0,1,0,0|1,0,0]=3 74 B11R1.91 CC(=O)NCC1CCNCC1 CBR01056 [0,1,0,1,0,0|1,0,0]=3 75 B11R1.91 CC(=O)OCC1CCCCO1 S364959 [0,1,0,1,0,0|0,0,0]=2 76 B11R1.91 NC(=O)CCC1CCCCC1 EME00450 [0,1,0,1,0,0|2,0,0]=4 77 B11R1.91 NC(=O)CCC1CCCNC1 CBR00857 [0,1,0,1,0,0|2,0,0]=4 78 B11R1.91 NC(=O)CCC1CCNCC1 CBR02356 [0,1,0,1,0,0|2,0,0]=4 79 B11R1.91 NC(=O)NCC1CCCCC1 S517046 [0,1,0,1,0,0|2,0,0]=4 80 B11R1.266 CC(=O)N1CCOC(C1)CN CBR02393 [0,1,0,1,0,0|2,0,0]=4 81 B11R1.25 COC(=O)CCC1CCCC1 EME00045 [0,1,0,1,0,0|1,0,0]=3 82 B11R1.25 O=C(CCl)NCC1CCCO1 PH015169 [0,1,0,1,0,0|2,0,0]=4 83 B11R1.1048 CCC1(COC(=O)OC1)CC S756288 [0,1,0,1,0,0|0,0,0]=2 84 B11R2.474 O=C1CCCC2CCC1O2 T173460 [0,0,0,2,0,0|2,0,0]=4 85 B11R2.845 CC(=O)C1CC2CCC1C2 S240249 [0,0,0,2,0,0|1,0,0]=3 86 B11R2.845 O=C(O)C1CC2CCC1C2 S37738 [0,0,0,2,0,0|2,0,0]=4 87 B11R2.61 [C@H]12C=CC(=O)CCC1CC2 T182117 [0,0,0,2,0,0|1,0,1]=4 88 B7R0.2 C=CC(C)OC(=O)C S413755 [1,0,0,0,1,0|0,0,2]=4 89 B7R0.2 CCC(C)CC(=O)Cl PH016167 [1,0,0,0,1,0|1,0,0]=3 90 B7R0.2 CCC(N)CC(=O)O CDS006113 [1,0,0,0,1,0|2,0,0]=4 91 B7R0.2 CC[C@H](C)CC(=O)O CDS005352 [1,0,0,0,1,0|1,0,0]=3 92 B7R0.2 CNC(C)CC(=O)N CBR01535 [1,0,0,0,1,0|2,0,0]=4 93 B7R0.15 C=C(C)C(CC)CC R289272 [0,0,0,0,2,0|1,0,0]=3 94 B7R0.15 CCC(CC)C(=O)C PH016168 [0,0,0,0,2,0|0,0,0]=2 95 B7R0.15 CCC(CC)C(=O)N S378488 [0,0,0,0,2,0|1,0,0]=3 96 B7R0.15 CCC(CC)C(C)O S361860 [0,0,0,0,2,0|0,0,2]=4 97 B7R0.15 CCN(CC)C(=O)[NH-] S586188 [0,0,0,0,2,0|2,0,0]=4 98 B9R0.1 COC(C)CCOC(=O)C CDS000509 [1,0,0,0,0,1|1,0,0]=3 99 B11R0.22 CCN(CC)CCCNC(=O)C S380199 [0,0,0,0,0,2|2,0,0]=4 100 B11R0.22 CCN(CC)CCON=C(C)C PH001147 [0,0,0,0,0,2|2,0,0]=4