0 B9R0.48 CCOC(=O)\C=C\C(C)C W15771 [0,0,0,0,0,0|0,0,2]=2 1 B9R0.48 CCOC(=O)\C=C\C(F)F 72388 [0,0,0,0,0,0|2,0,2]=4 2 B8R0.1 CCNC(=O)NCCO AT23087 [1,0,0,0,0,0|3,0,0]=4 3 B8R0.1 CCOC(=O)NCCN AT13715 [1,0,0,0,0,0|2,0,0]=3 4 B8R0.1 CCOC(=O)\C=C\CN 86087 [1,0,0,0,0,0|1,0,2]=4 5 B8R0.7 CCO\C=C\C=[N+](C)C F17982 [1,0,0,0,0,0|1,0,2]=4 6 B8R0.7 CCO\C=C\CN(C)C F17829 [1,0,0,0,0,0|1,0,1]=3 7 B8R0.9 CC(C)CC[C@H](N)CO AT16865 [1,0,0,0,0,0|2,0,1]=4 8 B8R0.9 CC(C)CNC(=O)CN F21149 [1,0,0,0,0,0|2,0,0]=3 9 B8R0.9 CCC(C)CCC(C)N C14677 [1,0,0,0,0,0|2,0,1]=4 10 B8R0.9 COC(=O)\C=C\C(C)C AC9583 [1,0,0,0,0,0|0,0,2]=3 11 B10R0.26 CCOC(=O)C[C@H](N)C(C)C F53416 [0,1,0,0,0,0|0,0,0]=1 12 B10R0.32 CCOC(=O)C(=O)CC(C)C 25233 [0,1,0,0,0,0|0,0,1]=2 13 B10R0.109 CCOC(=O)CCS(=O)(=O)Cl AC2764 [0,1,0,0,0,0|3,0,0]=4 14 B10R0.109 CCOC(=O)\C=C\C(C)(C)C Y14771 [0,1,0,0,0,0|0,0,2]=3 15 B10R0.109 [2H]C([2H])([2H])CCC(=O)OCC D98647 [0,1,0,0,0,0|2,0,0]=3 16 B10R1.30 CCN1C[C@H](C)NCC1=O F19820 [0,0,0,1,0,0|2,0,0]=3 17 B10R1.59 CC(C)[C@@H]1NC(=O)C[C@H]1O W16067 [0,0,0,1,0,0|3,0,0]=4 18 B10R1.59 CC(C)[C@@H]1NC(=O)OC1=O AC6137 [0,0,0,1,0,0|2,0,1]=4 19 B10R1.63 CC1=CC(=O)CCC1(C)C 90807 [0,0,0,1,0,0|1,0,1]=3 20 B10R1.113 CC(C)N1CCCC(=O)C1 62868 [0,0,0,1,0,0|2,0,0]=3 21 B10R1.113 CC(C)[C@@H]1CC(=O)CCN1 70965 [0,0,0,1,0,0|2,0,0]=3 22 B10R1.113 CN(C)[C@H]1CCCC(=O)C1 D73606 [0,0,0,1,0,0|2,0,0]=3 23 B10R1.138 CNCC(=O)NCC1CC1 70891 [0,0,0,1,0,0|3,0,0]=4 24 B10R1.140 CC1CC(C(=O)CC#N)C1 C93308 [0,0,0,1,0,0|2,0,1]=4 25 B10R1.140 CCOC(=O)C1CC(F)C1 C93311 [0,0,0,1,0,0|1,0,0]=2 26 B10R1.140 CCOC(=O)C1CC(I)C1 93588 [0,0,0,1,0,0|1,0,0]=2 27 B10R1.400 CCOC(=O)C1CC1(F)Cl CS3138 [0,0,0,1,0,0|2,0,0]=3 28 B8R0.5 CC(C)OC(=O)CCS FD10479 [0,0,0,0,1,0|3,0,0]=4 29 B8R0.5 CC(C)OC(=O)OCI D73860 [0,0,0,0,1,0|2,0,0]=3 30 B8R0.5 CCCC(=O)CC(C)C T72726 [0,0,0,0,1,0|1,0,0]=2 31 B8R0.5 CCOC(=O)C[C@H](C)N H11544 [0,0,0,0,1,0|1,0,0]=2 32 B8R0.5 CCOC(=O)C[S+](C)C AT26589 [0,0,0,0,1,0|1,0,0]=2 33 B10R0.3 CCOC(C)COCC(C)O F20819 [0,0,0,0,0,1|2,0,1]=4 34 B7R0.3 CCC(=O)OCOC D72002 [2,0,0,0,0,0|2,0,0]=4 35 B7R0.3 CCCNC(=O)CN C78397 [2,0,0,0,0,0|2,0,0]=4 36 B7R0.3 CNOCC(=O)OC AT14517 [2,0,0,0,0,0|2,0,0]=4 37 B7R0.3 COC(=N)CCCCl C76486 [2,0,0,0,0,0|2,0,0]=4 38 B7R0.3 COC(=O)CCCN 32601 [2,0,0,0,0,0|1,0,0]=3 39 B7R0.3 COC(=O)NCCN AT13709 [2,0,0,0,0,0|2,0,0]=4 40 B7R0.7 CCOC(=O)CCN F19878 [2,0,0,0,0,0|1,0,0]=3 41 B7R0.7 CCSC(=O)OCI C77591 [2,0,0,0,0,0|2,0,0]=4 42 B7R0.6 CC(C)CC[C@H](C)N C11213 [2,0,0,0,0,0|1,0,1]=4 43 B7R0.6 C[S+](C)CCC(=O)[O-] F16477 [2,0,0,0,0,0|1,0,1]=4 44 B9R0.4 CCOCC(=O)OC(C)C 94622 [1,1,0,0,0,0|1,0,0]=3 45 B9R0.5 C#CCOCC(=O)OCC AT18918 [1,1,0,0,0,0|0,0,2]=4 46 B9R0.5 CCOC(=O)CCCNC AB10379 [1,1,0,0,0,0|0,0,0]=2 47 B9R0.5 CCOC(=O)CNCCN FD21627 [1,1,0,0,0,0|1,0,0]=3 48 B9R0.34 C=C[C@@H](O)CC(=O)OCC AC6052 [1,1,0,0,0,0|0,0,2]=4 49 B9R0.34 CCOC(=O)C[C@H](O)CBr 11423 [1,1,0,0,0,0|1,0,0]=3 50 B9R0.34 CCOC(=O)C[C@H](O)CI CS2877 [1,1,0,0,0,0|1,0,0]=3 51 B9R0.1 CC[C@H](C)CCCC(C)C T70540 [1,1,0,0,0,0|1,0,1]=4 52 B9R0.2 CC(C)CCCCCCO D98911 [1,1,0,0,0,0|1,0,1]=4 53 B9R0.46 CCCCCC[C@@H](C)CC T72672 [1,1,0,0,0,0|1,0,1]=4 54 B9R0.7 CC(C)COC(=O)[C@H](C)N F52315 [1,1,0,0,0,0|1,0,0]=3 55 B9R0.7 CC(C)COC(=O)[C@H](C)N F52321 [1,1,0,0,0,0|1,0,0]=3 56 B9R0.21 COC(=O)\C=C\C(C)(C)N E72573 [1,1,0,0,0,0|0,0,2]=4 57 B9R0.23 CCC(=O)[C@@H](C)CN(C)C 12890 [1,1,0,0,0,0|1,0,0]=3 58 B9R0.23 COC(=O)[C@@H](C)CN(C)C C80074 [1,1,0,0,0,0|1,0,0]=3 59 B9R0.23 COC(=O)[C@@H](N)CN(C)C AT25503 [1,1,0,0,0,0|1,0,0]=3 60 B9R0.24 COC(=O)CC[S@](=O)OC CS2994 [1,1,0,0,0,0|2,0,0]=4 61 B9R0.6 CCOC(=O)[C@@H](N)C(C)=O 93013 [0,1,0,0,1,0|1,0,1]=4 62 B9R0.44 CCOC(=O)NC(C)(C)C AC9360 [0,1,0,0,1,0|1,0,0]=3 63 B11R0.180 CCOC(=O)CNCC(F)(F)F W16251 [0,1,0,0,0,1|2,0,0]=4 64 B11R0.54 CCOC(=O)C[C@H](N)C(F)(F)F F30509 [0,2,0,0,0,0|2,0,0]=4 65 B11R0.54 CCOC(=O)C[C@H](N)C(F)(F)F F53327 [0,2,0,0,0,0|2,0,0]=4 66 B11R0.54 CCOC(=O)C[C@H](O)C(C)(C)C E72436 [0,2,0,0,0,0|0,0,0]=2 67 B11R0.43 CCOC(=O)C(=O)N[C@@H](C)CC E72416 [0,2,0,0,0,0|1,0,1]=4 68 B11R0.34 CC(=O)CCC(=O)OC(C)(C)C 95194 [0,2,0,0,0,0|1,0,1]=4 69 B11R0.34 C[C@H](N)CNC(=O)OC(C)(C)C I11718 [0,2,0,0,0,0|2,0,0]=4 70 B11R0.34 C[C@H](O)CCC(=O)OC(C)(C)C AT12510 [0,2,0,0,0,0|1,0,0]=3 71 B9R1.2 CC[C@H]1CC(=O)CCN1 S10989 [1,0,0,1,0,0|2,0,0]=4 72 B9R1.15 CCN1CCCNC1=O AT26678 [1,0,0,1,0,0|2,0,0]=4 73 B9R1.15 CC[C@H]1CNCCC1=O O11002 [1,0,0,1,0,0|2,0,0]=4 74 B9R1.15 O=C1CCCC[C@@H]1CO F18113 [1,0,0,1,0,0|2,0,0]=4 75 B9R1.33 COC[C@H]1CCNC1=O AT19084 [1,0,0,1,0,0|2,0,0]=4 76 B9R1.33 O=C1NCC[C@@H]1CCO AT19068 [1,0,0,1,0,0|2,0,0]=4 77 B9R1.33 O=C1OCCN1CCBr AT18747 [1,0,0,1,0,0|2,0,0]=4 78 B9R1.73 CCOC(=O)C1CSC1 F18444 [1,0,0,1,0,0|1,0,0]=3 79 B9R1.73 CCOC(=O)[C@@H]1CCN1 C16350 [1,0,0,1,0,0|1,0,0]=3 80 B9R1.73 CCOC(=O)[C@@H]1CCN1 D87602 [1,0,0,1,0,0|1,0,0]=3 81 B9R1.6 CC(C)[C@H]1CCCNC1 F53728 [1,0,0,1,0,0|2,0,0]=4 82 B9R1.6 CN(C)C1CCOCC1 D77650 [1,0,0,1,0,0|1,0,1]=4 83 B9R1.6 C[C@H](N)C1CCOCC1 AT13557 [1,0,0,1,0,0|1,0,1]=4 84 B9R1.6 C[C@H](N)C1CCOCC1 D77651 [1,0,0,1,0,0|1,0,1]=4 85 B9R1.13 CC(C)N[C@H]1CCOC1 P12314 [1,0,0,1,0,0|1,0,1]=4 86 B9R1.148 CC1(C)CCCNCC1 AT20041 [1,0,0,1,0,0|1,0,1]=4 87 B9R1.10 CC1(C)CCC(=O)NC1 55120 [1,0,0,1,0,0|1,0,0]=3 88 B9R1.10 C[C@]1(O)CCC(=O)NC1 N10620 [1,0,0,1,0,0|2,0,0]=4 89 B9R1.35 CC(=O)[C@H]1CCC(=O)C1 F53665 [1,0,0,1,0,0|1,0,1]=4 90 B9R1.35 CC(C)[C@@H]1CC(=O)CN1 94320 [1,0,0,1,0,0|1,0,0]=3 91 B9R1.82 CNC(=O)C1CC(O)C1 C14153 [1,0,0,1,0,0|2,0,0]=4 92 B9R1.82 COC(=O)C1CC(N)C1 D78846 [1,0,0,1,0,0|1,0,0]=3 93 B9R1.82 COC(=O)N1CC(N)C1 AT23057 [1,0,0,1,0,0|2,0,0]=4 94 B9R1.82 COC(=O)N1CC(O)C1 P17177 [1,0,0,1,0,0|2,0,0]=4 95 B9R1.82 COC(=O)[C@H]1C[C@H](Br)C1 38015 [1,0,0,1,0,0|1,0,0]=3 96 B9R1.82 COC(=O)[C@H]1C[C@H](N)C1 P12407 [1,0,0,1,0,0|1,0,0]=3 97 B9R1.138 CC1(C)CNC(=O)[C@H]1N AT19091 [1,0,0,1,0,0|2,0,0]=4 98 B9R1.138 CC1(C)CNC(=O)[C@H]1O AT19033 [1,0,0,1,0,0|2,0,0]=4 99 B9R1.34 CC1CC(=O)CC(C)N1 F12422 [0,0,0,1,1,0|2,0,0]=4 100 B9R1.34 CC1CC(=O)CC(C)S1 89934 [0,0,0,1,1,0|2,0,0]=4 101 B9R1.34 C[C@H]1CC(=O)C[C@@H](C)N1 S11085 [0,0,0,1,1,0|2,0,0]=4 102 B9R1.34 C[C@H]1CC(=O)C[C@H](C)O1 P14538 [0,0,0,1,1,0|2,0,0]=4 103 B9R1.66 CC1(C)CC(=O)CCS1 89936 [0,0,0,1,1,0|2,0,0]=4 104 B9R1.66 CC1(C)CC=CC(=O)C1 F12457 [0,0,0,1,1,0|1,0,1]=4 105 B11R1.15 C=C1CC[C@H](C(=O)OCC)C1 89906 [0,0,0,1,0,1|0,0,2]=4 106 B11R1.15 CCOC(=O)C1CCC(F)C1 AC4965 [0,0,0,1,0,1|1,0,0]=3 107 B11R1.15 CCOC(=O)[C@@H]1CC[C@H](C)N1 C16215 [0,0,0,1,0,1|1,0,0]=3 108 B11R1.15 CCOC(=O)[C@@H]1CC[C@H](C)N1 Y10153 [0,0,0,1,0,1|1,0,0]=3 109 B11R1.290 CCOC(=O)CCNC1CC1 AC6776 [0,0,0,1,0,1|0,0,0]=2 110 B11R1.645 CC(C)C[C@@H]1NC(=O)OC1=O AC6265 [0,0,0,1,0,1|1,0,1]=4 111 B11R1.334 CCOC(=O)C[C@H](N)C1CC1 F53810 [0,1,0,1,0,0|0,0,0]=2 112 B11R1.86 CN(C)C[C@H]1COCCC1=O F13488 [0,1,0,1,0,0|2,0,0]=4 113 B11R1.152 CC(C)OC(=O)C1CC(=O)C1 58559 [0,1,0,1,0,0|1,0,1]=4 114 B11R1.351 CCOC(=O)C(=O)CC1CC1 P11469 [0,1,0,1,0,0|0,0,1]=3 115 B11R1.351 CCOC(=O)[C@@H](N)CC1CC1 F53735 [0,1,0,1,0,0|0,0,0]=2 116 B11R1.351 CCOC(=O)\C(C)=C\C1CC1 F18298 [0,1,0,1,0,0|0,0,2]=4 117 B11R1.833 CCOC(=O)C1(N)CC(=O)C1 D79126 [0,1,0,1,0,0|1,0,1]=4 118 B11R1.489 CC(C)[C@@H]1NC(=O)OC1(C)C AT25006 [0,1,0,1,0,0|1,0,0]=3 119 B11R1.289 CCOC(=O)CCC1CCC1 F52482 [0,1,0,1,0,0|0,0,0]=2 120 B11R1.822 CCOC(=O)C1CC(C=O)C1 C91050 [0,1,0,1,0,0|0,0,1]=3 121 B11R1.822 CCOC(=O)C1CC(CO)C1 C91896 [0,1,0,1,0,0|0,0,0]=2 122 B11R2.357 O=C1CCN2CCCC1C2 AT13094 [0,0,0,2,0,0|2,0,0]=4 123 B7R0.2 CC(C)CC(=O)CN F50535 [1,0,0,0,1,0|1,0,0]=3 124 B7R0.2 COC(=O)CN(C)C F21349 [1,0,0,0,1,0|1,0,0]=3 125 B7R0.2 COC(=O)C[C@H](C)N N13255 [1,0,0,0,1,0|1,0,0]=3 126 B7R0.5 CC(C)C(=O)NCO 81303 [0,0,0,0,2,0|2,0,0]=4 127 B7R0.5 CCOC(=N)C(C)C W12825 [0,0,0,0,2,0|1,0,0]=3 128 B7R0.5 CN(C)C(=O)OCCl C77477 [0,0,0,0,2,0|2,0,0]=4 129 B11R0.176 CCOC(=O)CCCCN(C)C AC6409 [0,0,0,0,0,2|1,0,0]=3