0 B8R0.9 C=CC(=O)NC[C@H](C)O AC9846 [0,0,0,0,0,0|2,0,2]=4 1 B8R0.9 CC(C)CC[C@H](N)CO AT16865 [0,0,0,0,0,0|3,0,1]=4 2 B8R0.9 CC(C)CNC(=O)CN F21149 [0,0,0,0,0,0|2,0,0]=2 3 B8R0.9 CCC(C)CCC(C)N C14677 [0,0,0,0,0,0|3,0,1]=4 4 B8R0.9 COC(=O)\C=C\C(C)C AC9583 [0,0,0,0,0,0|2,0,1]=3 5 B8R0.9 NCC(=O)NCC(F)F C13780 [0,0,0,0,0,0|4,0,0]=4 6 B7R0.3 CCC(=O)OCOC D72002 [1,0,0,0,0,0|1,0,0]=2 7 B7R0.3 CCCNC(=O)CN C78397 [1,0,0,0,0,0|2,0,0]=3 8 B7R0.3 CCONC(=O)CN AT14835 [1,0,0,0,0,0|3,0,0]=4 9 B7R0.3 CNC(=O)NCCO AT23083 [1,0,0,0,0,0|3,0,0]=4 10 B7R0.3 CNC(=O)OCCO AT13707 [1,0,0,0,0,0|2,0,0]=3 11 B7R0.3 COC(=O)CCCN 32601 [1,0,0,0,0,0|3,0,0]=4 12 B7R0.3 COC(=O)NCCN AT13709 [1,0,0,0,0,0|3,0,0]=4 13 B7R0.4 CC(C)CSCCN AT25570 [1,0,0,0,0,0|1,1,1]=4 14 B7R0.6 CC(=O)NN=C(C)C C12737 [1,0,0,0,0,0|2,0,1]=4 15 B7R0.6 CC(C)CC[C@H](C)N C11213 [1,0,0,0,0,0|2,0,1]=4 16 B7R0.6 CC(C)OC[C@H](C)O T72421 [1,0,0,0,0,0|2,0,1]=4 17 B7R0.6 C[S+](C)CCC(=O)[O-] F16477 [1,0,0,0,0,0|3,0,0]=4 18 B9R0.7 CC(C)COC(=O)C(=O)Cl S11943 [0,1,0,0,0,0|1,0,1]=3 19 B9R0.7 CC(C)COC(=O)[C@H](C)N F52315 [0,1,0,0,0,0|0,0,0]=1 20 B9R0.7 CC(C)COC(=O)[C@H](C)N F52321 [0,1,0,0,0,0|0,0,0]=1 21 B9R0.21 COC(=O)\C=C\C(C)(C)N E72573 [0,1,0,0,0,0|2,0,1]=4 22 B9R0.23 CCC(=O)[C@@H](C)CN(C)C 12890 [0,1,0,0,0,0|2,0,0]=3 23 B9R0.23 COC(=O)[C@@H](C)CN(C)C C80074 [0,1,0,0,0,0|3,0,0]=4 24 B9R0.23 COC(=O)[C@@H](N)CN(C)C AT25503 [0,1,0,0,0,0|3,0,0]=4 25 B9R0.48 CCOC(=O)\C=C\C(C)C W15771 [0,1,0,0,0,0|1,0,1]=3 26 B9R1.10 CC1(C)CCC(=O)NC1 55120 [0,0,0,1,0,0|1,0,0]=2 27 B9R1.10 C[C@]1(O)CCC(=O)NC1 N10620 [0,0,0,1,0,0|2,0,0]=3 28 B9R1.35 CC(=O)[C@H]1CCC(=O)C1 F53665 [0,0,0,1,0,0|2,0,1]=4 29 B9R1.35 CC(C)[C@@H]1CC(=O)CN1 94320 [0,0,0,1,0,0|2,0,0]=3 30 B9R1.69 CC1COC(C)C(C)N1 F18841 [0,0,0,1,0,0|2,0,1]=4 31 B9R1.69 C[C@H]1CN(C)C(=O)CN1 F19683 [0,0,0,1,0,0|3,0,0]=4 32 B9R1.69 C[C@H]1CN(C)C(=O)CN1 P10819 [0,0,0,1,0,0|3,0,0]=4 33 B9R1.82 CNC(=O)C1CC(O)C1 C14153 [0,0,0,1,0,0|3,0,0]=4 34 B9R1.82 CNC(=O)N1CC(N)C1 AT23065 [0,0,0,1,0,0|3,0,0]=4 35 B9R1.82 COC(=O)C1CC(N)C1 D78846 [0,0,0,1,0,0|3,0,0]=4 36 B9R1.82 COC(=O)N1CC(N)C1 AT23057 [0,0,0,1,0,0|3,0,0]=4 37 B9R1.82 COC(=O)N1CC(O)C1 P17177 [0,0,0,1,0,0|3,0,0]=4 38 B9R1.82 COC(=O)[C@H]1C[C@H](Br)C1 38015 [0,0,0,1,0,0|3,0,0]=4 39 B9R1.82 COC(=O)[C@H]1C[C@H](N)C1 P12407 [0,0,0,1,0,0|3,0,0]=4 40 B9R1.138 CC1(C)CNC(=O)[C@H]1N AT19091 [0,0,0,1,0,0|2,0,0]=3 41 B9R1.138 CC1(C)CNC(=O)[C@H]1O AT19033 [0,0,0,1,0,0|2,0,0]=3 42 B7R0.2 CC(C)CC(=O)CN F50535 [0,0,0,0,1,0|1,0,0]=2 43 B7R0.2 COC(=O)CN(C)C F21349 [0,0,0,0,1,0|2,0,0]=3 44 B7R0.2 COC(=O)C[C@H](C)N N13255 [0,0,0,0,1,0|2,0,0]=3 45 B9R0.1 CC[C@H](C)CCCC(C)C T70540 [0,0,0,0,0,1|2,0,1]=4 46 B6R0.1 CCNC(=O)OC C16084 [2,0,0,0,0,0|2,0,0]=4 47 B6R0.1 CCOC(=N)CCl AC8745 [2,0,0,0,0,0|2,0,0]=4 48 B6R0.1 CCOC(=S)SC AC9840 [2,0,0,0,0,0|1,1,0]=4 49 B6R0.1 COCC(=O)CCl D85993 [2,0,0,0,0,0|2,0,0]=4 50 B6R0.1 COCC(=O)OC F53343 [2,0,0,0,0,0|2,0,0]=4 51 B6R0.4 CC(C)OCCS AT13760 [2,0,0,0,0,0|1,0,1]=4 52 B6R0.4 CCNC[C@H](C)O 91070 [2,0,0,0,0,0|2,0,0]=4 53 B6R0.4 CCONC(C)=O AT24904 [2,0,0,0,0,0|2,0,0]=4 54 B6R0.4 COCOC(C)=O D72003 [2,0,0,0,0,0|1,0,0]=3 55 B6R0.4 O=C(Cl)OCCF AT25498 [2,0,0,0,0,0|2,0,0]=4 56 B8R0.1 CCNC(=O)NCCO AT23087 [1,1,0,0,0,0|2,0,0]=4 57 B8R0.1 CCOC(=O)NCCN AT13715 [1,1,0,0,0,0|2,0,0]=4 58 B8R0.3 CCC[C@H](N)C(=O)OC F20626 [1,1,0,0,0,0|2,0,0]=4 59 B8R0.6 CNC(=O)OCCCN AT13711 [1,1,0,0,0,0|1,0,0]=3 60 B8R0.6 COC(=O)NCCCN AT13710 [1,1,0,0,0,0|2,0,0]=4 61 B8R0.8 C=C(C)C(=O)OCCBr T70933 [1,1,0,0,0,0|1,0,1]=4 62 B8R0.8 CCCCC(=O)[C@H](C)N D78735 [1,1,0,0,0,0|1,0,0]=3 63 B8R0.19 CC[C@H](N)CC(=O)OC F16995 [1,1,0,0,0,0|2,0,0]=4 64 B8R0.19 CC[C@H](O)CC(=O)OC C15994 [1,1,0,0,0,0|2,0,0]=4 65 B8R0.5 CCCC(=O)CC(C)C T72726 [1,1,0,0,0,0|1,0,1]=4 66 B8R0.7 CCO\C=C\CN(C)C F17829 [1,1,0,0,0,0|2,0,0]=4 67 B8R0.28 CC(C)CNCC(C)C A11894 [1,1,0,0,0,0|1,0,1]=4 68 B8R0.29 CC(=O)CSC(C)(C)C F17486 [1,1,0,0,0,0|2,0,0]=4 69 B8R0.29 [2H]C([2H])([2H])COC(C)=O D98335 [1,1,0,0,0,0|2,0,0]=4 70 B8R0.24 CC[C@H](C)CC(C)(C)C T71897 [0,1,0,0,1,0|1,0,1]=4 71 B8R0.24 COC(=O)CC(C)(C)N C77552 [0,1,0,0,1,0|1,0,0]=3 72 B10R0.60 C[N+](C)(C)CCOC(=O)CBr D86709 [0,1,0,0,0,1|2,0,0]=4 73 B10R0.52 COC(=O)C[C@H](N)C(C)(C)C AC3640 [0,2,0,0,0,0|2,0,0]=4 74 B10R0.109 CCOC(=O)\C=C\C(C)(C)C Y14771 [0,2,0,0,0,0|1,0,1]=4 75 B10R0.32 CCOC(=O)C(=O)CC(C)C 25233 [0,2,0,0,0,0|1,0,0]=3 76 B10R0.26 CCOC(=O)C[C@H](N)C(C)C F53416 [0,2,0,0,0,0|1,0,0]=3 77 B8R1.1 CC[C@@H]1CNC(=O)C1 P10810 [1,0,0,1,0,0|2,0,0]=4 78 B8R1.1 CC[C@H]1CCC(=O)C1 W18649 [1,0,0,1,0,0|1,0,0]=3 79 B8R1.1 CC[C@H]1CCC(=O)N1 D72846 [1,0,0,1,0,0|1,0,0]=3 80 B8R1.1 CC[C@H]1COC(=O)N1 W10319 [1,0,0,1,0,0|2,0,0]=4 81 B8R1.1 NC[C@H]1CNC(=O)O1 P12528 [1,0,0,1,0,0|2,0,0]=4 82 B8R1.1 O=C1CC[C@H](CBr)O1 C12574 [1,0,0,1,0,0|1,0,0]=3 83 B8R1.1 O=C1CC[C@H](CI)N1 AT14276 [1,0,0,1,0,0|2,0,0]=4 84 B8R1.1 O=C1CC[C@H](CO)C1 D97067 [1,0,0,1,0,0|2,0,0]=4 85 B8R1.2 OCC1=CCCCO1 S11090 [1,0,0,1,0,0|2,0,0]=4 86 B8R1.3 C[C@H]1CNC(=O)CO1 AT13719 [1,0,0,1,0,0|2,0,0]=4 87 B8R1.3 C[C@H]1CNC(=O)CO1 AT13722 [1,0,0,1,0,0|2,0,0]=4 88 B8R1.3 N[C@H]1CCC(=O)NC1 70845 [1,0,0,1,0,0|2,0,0]=4 89 B8R1.3 O=C1CCC(Br)CC1 C77503 [1,0,0,1,0,0|2,0,0]=4 90 B8R1.5 CN1CCCCC1=O C16744 [1,0,0,1,0,0|2,0,0]=4 91 B8R1.5 C[C@H]1CCNCC1=O P13522 [1,0,0,1,0,0|2,0,0]=4 92 B8R1.5 C[C@H]1CCOCC1=O F53480 [1,0,0,1,0,0|2,0,0]=4 93 B8R1.5 N[C@H]1CCCNC1=O 51548 [1,0,0,1,0,0|2,0,0]=4 94 B8R1.38 CCC(=O)C1CCC1 F53463 [1,0,0,1,0,0|1,0,0]=3 95 B8R1.38 NCC(=O)N1CCC1 C77774 [1,0,0,1,0,0|2,0,0]=4 96 B8R1.50 CC1C(=O)NCC1O 94942 [1,0,0,1,0,0|2,0,0]=4 97 B8R1.4 CC1CCNC(C)C1 D87679 [1,0,0,1,0,0|2,0,0]=4 98 B8R1.4 CC1COC[C@H](C)N1 F18864 [1,0,0,1,0,0|1,0,1]=4 99 B8R1.4 CC1COC[C@H](C)N1 F18890 [1,0,0,1,0,0|1,0,1]=4 100 B8R1.4 CC1COC[C@H](C)N1 F18927 [1,0,0,1,0,0|1,0,1]=4 101 B8R1.4 CC1COC[C@H](C)N1 F18931 [1,0,0,1,0,0|1,0,1]=4 102 B8R1.4 C[C@H]1COC[C@@H](C)N1 70215 [1,0,0,1,0,0|1,0,1]=4 103 B8R1.4 C[C@H]1COC[C@@H](C)N1 S12171 [1,0,0,1,0,0|1,0,1]=4 104 B8R1.6 CCC=C1CC(O)C1 AT14798 [1,0,0,1,0,0|2,0,0]=4 105 B8R1.7 CC(C)C1CCCC1 T72412 [1,0,0,1,0,0|1,0,1]=4 106 B8R1.7 CC(C)[C@@H]1CCCN1 P10941 [1,0,0,1,0,0|1,0,1]=4 107 B8R1.7 CC(C)[C@@H]1CCCN1 P12433 [1,0,0,1,0,0|1,0,1]=4 108 B8R1.7 CC(N)C1CCCO1 D75138 [1,0,0,1,0,0|1,0,1]=4 109 B8R1.7 C[C@H](N)C1CCCO1 79855 [1,0,0,1,0,0|1,0,1]=4 110 B8R1.7 C[C@H](N)C1CCCO1 79856 [1,0,0,1,0,0|1,0,1]=4 111 B8R1.7 C[C@H](N)C1CCCO1 79857 [1,0,0,1,0,0|1,0,1]=4 112 B8R1.7 C[C@H](N)C1CCCO1 79858 [1,0,0,1,0,0|1,0,1]=4 113 B8R1.35 CC(C)CNC1CC1 AC5587 [1,0,0,1,0,0|1,0,1]=4 114 B8R1.72 CC1(C)CCCNC1 F30179 [1,0,0,1,0,0|1,0,1]=4 115 B8R1.72 CC1(C)COCCN1 S10178 [1,0,0,1,0,0|1,0,1]=4 116 B8R1.23 C[C@H]1C[C@@H](C(=O)O)C1 37681 [1,0,0,1,0,0|2,0,0]=4 117 B8R1.51 CC1(C)CC(=O)CO1 P20320 [1,0,0,1,0,0|2,0,0]=4 118 B8R1.51 CC1(C)CC(=O)CS1 31047 [1,0,0,1,0,0|2,0,0]=4 119 B8R1.18 CN1C[C@@H](I)CC1=O D79270 [0,0,0,1,1,0|2,0,0]=4 120 B8R1.18 CN1C[C@@H](N)CC1=O AT19106 [0,0,0,1,1,0|2,0,0]=4 121 B8R1.18 C[C@H]1CC(=O)N(C)C1 F18257 [0,0,0,1,1,0|1,0,0]=3 122 B10R1.13 CC(C)C1=NNC(=O)CC1 F12620 [0,0,0,1,0,1|1,0,1]=4 123 B10R1.13 CC(C)[C@H]1C=CC(=O)CC1 AT12689 [0,0,0,1,0,1|1,0,0]=3 124 B10R1.14 COC(=O)[C@@H]1C[C@H](N)CO1 F50103 [0,0,0,1,0,1|2,0,0]=4 125 B10R1.150 CCC(=O)NC1CC(N)C1 72861 [0,0,0,1,0,1|2,0,0]=4 126 B10R1.171 CC[C@H]1COCC(C)(C)N1 F18850 [0,0,0,1,0,1|1,0,1]=4 127 B10R1.120 CC1(C)C[C@@H](O)CCC1=O F30863 [0,1,0,1,0,0|2,0,0]=4 128 B10R1.147 CC1=CC(C)(C)CCC1=O 90811 [0,1,0,1,0,0|1,0,1]=4 129 B10R1.55 CC(C)(C)[C@@H]1CNC(=O)C1 94581 [0,1,0,1,0,0|2,0,0]=4 130 B10R1.55 CC(C)(C)[C@@H]1COC(=O)N1 AT13635 [0,1,0,1,0,0|2,0,0]=4 131 B10R1.413 COC(=O)C1=CC(C)(C)C1 P12476 [0,1,0,1,0,0|2,0,0]=4 132 B10R1.157 COC(=O)CC1CC1CN D79180 [0,1,0,1,0,0|2,0,0]=4 133 B10R1.169 COC(=O)C1CC(CBr)C1 C16646 [0,1,0,1,0,0|2,0,0]=4 134 B10R1.473 CC1(C#N)CCC(=O)CC1 P11998 [0,1,0,1,0,0|1,0,1]=4 135 B10R1.63 CC1=CC(=O)CCC1(C)C 90807 [0,1,0,1,0,0|1,0,1]=4 136 B10R1.113 CC(C)N1CCCC(=O)C1 62868 [0,1,0,1,0,0|2,0,0]=4 137 B10R1.113 CC(C)[C@@H]1CC(=O)CCN1 70965 [0,1,0,1,0,0|1,0,0]=3 138 B10R1.113 CN(C)[C@H]1CCCC(=O)C1 D73606 [0,1,0,1,0,0|2,0,0]=4 139 B10R1.66 CC(C)CO[C@H]1CCNC1 F13095 [0,1,0,1,0,0|1,0,1]=4 140 B10R1.66 CC(C)CO[C@H]1CCNC1 F13096 [0,1,0,1,0,0|1,0,1]=4 141 B10R1.30 CCN1C[C@H](C)NCC1=O F19820 [0,1,0,1,0,0|2,0,0]=4 142 B10R1.59 CC(C)[C@@H]1NC(=O)C[C@H]1O W16067 [0,1,0,1,0,0|1,0,0]=3 143 B10R1.138 CNCC(=O)NCC1CC1 70891 [0,1,0,1,0,0|1,0,0]=3 144 B10R1.140 CC1CC(C(=O)CC#N)C1 C93308 [0,1,0,1,0,0|1,0,1]=4 145 B10R1.140 CCOC(=O)C1CC(F)C1 C93311 [0,1,0,1,0,0|2,0,0]=4 146 B10R1.140 CCOC(=O)C1CC(I)C1 93588 [0,1,0,1,0,0|2,0,0]=4 147 B10R2.178 O=C1CCC2CCC1C2 AT22812 [0,0,0,2,0,0|1,0,0]=3 148 B10R2.14 O=C1CC[C@H](C2CC2)C1 33465 [0,0,0,2,0,0|1,0,0]=3 149 B6R0.2 CC(C)C[C@H](C)N 90224 [1,0,0,0,1,0|1,0,1]=4 150 B6R0.3 C=CC(=O)C(C)C C77506 [0,0,0,0,2,0|0,0,2]=4 151 B6R0.3 CC[C@H](N)C(C)C 74049 [0,0,0,0,2,0|1,0,1]=4 152 B6R0.3 CN(C)C(=O)CS AT25548 [0,0,0,0,2,0|2,0,0]=4