0 B8R1.7 CC(=O)C1=NCCC1 H10253 [0,0,0,0,0,0|1,0,2]=3 1 B8R1.7 CC(=O)[C@@H]1CCCN1 F13089 [0,0,0,0,0,0|1,0,0]=1 2 B8R1.7 CC(=O)[C@@H]1CCCO1 74204 [0,0,0,0,0,0|2,0,0]=2 3 B8R1.7 CC(=O)[C@H]1CCNC1 78818 [0,0,0,0,0,0|3,0,0]=3 4 B8R1.7 CC(C)C1CCCC1 T72412 [0,0,0,0,0,0|3,0,1]=4 5 B8R1.7 CC(C)[C@@H]1CCCN1 P10941 [0,0,0,0,0,0|2,0,1]=3 6 B8R1.7 CC(C)[C@@H]1CCCN1 P12433 [0,0,0,0,0,0|2,0,1]=3 7 B8R1.7 CC(N)C1CCCO1 D75138 [0,0,0,0,0,0|3,0,1]=4 8 B8R1.7 CC(O)C1CCNC1 72765 [0,0,0,0,0,0|3,0,1]=4 9 B8R1.7 CC(O)C1CCNC1 W10547 [0,0,0,0,0,0|3,0,1]=4 10 B8R1.7 CC(O)[C@@H]1CCCN1 AT26535 [0,0,0,0,0,0|1,0,1]=2 11 B8R1.7 C[C@H](N)C1CCCC1 79900 [0,0,0,0,0,0|3,0,1]=4 12 B8R1.7 C[C@H](N)C1CCCC1 79901 [0,0,0,0,0,0|3,0,1]=4 13 B8R1.7 C[C@H](N)C1CCCO1 79855 [0,0,0,0,0,0|3,0,1]=4 14 B8R1.7 C[C@H](N)C1CCCO1 79856 [0,0,0,0,0,0|3,0,1]=4 15 B8R1.7 C[C@H](N)C1CCCO1 79857 [0,0,0,0,0,0|3,0,1]=4 16 B8R1.7 C[C@H](N)C1CCCO1 79858 [0,0,0,0,0,0|3,0,1]=4 17 B8R1.7 FC(F)[C@@H]1CCCN1 P14661 [0,0,0,0,0,0|2,0,1]=3 18 B8R1.7 N=C(N)C1CCCC1 71790 [0,0,0,0,0,0|3,0,0]=3 19 B8R1.7 NC(=O)[C@H]1CCNC1 P11232 [0,0,0,0,0,0|3,0,0]=3 20 B8R1.7 NC(=S)C1CCCC1 N13298 [0,0,0,0,0,0|2,1,0]=3 21 B8R1.7 NC(=S)[C@@H]1CCCO1 W10328 [0,0,0,0,0,0|2,1,0]=3 22 B8R1.7 O=C(Cl)[C@H]1CCOC1 A12769 [0,0,0,0,0,0|3,0,0]=3 23 B8R1.7 O=C(O)[C@@H]1C=CCN1 F10849 [0,0,0,0,0,0|0,0,2]=2 24 B8R1.7 O=C(O)[C@@H]1CCCS1 98590 [0,0,0,0,0,0|1,0,0]=1 25 B8R1.7 O=C(O)[C@@H]1CCCS1 98591 [0,0,0,0,0,0|1,0,0]=1 26 B8R1.7 O=C(O)[C@@H]1CCNO1 AT14856 [0,0,0,0,0,0|2,0,0]=2 27 B7R1.1 C#C[C@@H]1CCCN1 P11309 [1,0,0,0,0,0|1,0,1]=3 28 B7R1.1 C#C[C@@H]1CCCN1 P12571 [1,0,0,0,0,0|1,0,1]=3 29 B7R1.1 C#C[C@@H]1CCCN1 P12581 [1,0,0,0,0,0|1,0,1]=3 30 B7R1.1 C#C[C@@H]1CCCN1 P15993 [1,0,0,0,0,0|1,0,1]=3 31 B7R1.1 CCC1CCCC1 T71889 [1,0,0,0,0,0|2,0,1]=4 32 B7R1.1 CC[C@H]1CCCN1 N12693 [1,0,0,0,0,0|1,0,1]=3 33 B7R1.1 ClC[C@H]1CCCN1 87778 [1,0,0,0,0,0|1,0,1]=3 34 B7R1.1 ClC[C@H]1CCCN1 D76474 [1,0,0,0,0,0|1,0,1]=3 35 B7R1.1 FC[C@H]1CCCN1 AT24807 [1,0,0,0,0,0|1,0,1]=3 36 B7R1.1 FC[C@H]1CCCN1 P12668 [1,0,0,0,0,0|1,0,1]=3 37 B7R1.1 N#C[C@@H]1CCCN1 74927 [1,0,0,0,0,0|1,0,1]=3 38 B7R1.1 N#C[C@@H]1CCCN1 C16310 [1,0,0,0,0,0|1,0,1]=3 39 B7R1.1 NC[C@H]1CCCN1 C16283 [1,0,0,0,0,0|1,0,1]=3 40 B7R1.1 NC[C@H]1CCCN1 FD10638 [1,0,0,0,0,0|1,0,1]=3 41 B7R1.1 NC[C@H]1CCCN1 S10708 [1,0,0,0,0,0|1,0,1]=3 42 B7R1.1 NOC1CCCC1 97656 [1,0,0,0,0,0|3,0,0]=4 43 B7R1.1 OC[C@H]1CCCN1 11147 [1,0,0,0,0,0|0,0,1]=2 44 B7R1.1 ONC1CCCC1 33366 [1,0,0,0,0,0|2,0,0]=3 45 B7R1.1 ONC1CCCC1 33756 [1,0,0,0,0,0|2,0,0]=3 46 B9R1.11 C#CC(=O)C1CCCC1 88682 [0,1,0,0,0,0|2,0,0]=3 47 B9R1.11 C=C[C@@H](O)C1CCCC1 F52271 [0,1,0,0,0,0|2,0,1]=4 48 B9R1.11 CCC(=O)C1CCCC1 F53464 [0,1,0,0,0,0|2,0,0]=3 49 B9R1.11 CNC(=O)[C@@H]1CCCN1 C78390 [0,1,0,0,0,0|1,0,0]=2 50 B9R1.11 CNC(=O)[C@@H]1CCCN1 C78509 [0,1,0,0,0,0|1,0,0]=2 51 B9R1.11 CNC(=O)[C@H]1CCNC1 AT18760 [0,1,0,0,0,0|3,0,0]=4 52 B9R1.11 CNC(=O)[C@H]1CCNC1 AT18761 [0,1,0,0,0,0|3,0,0]=4 53 B9R1.11 COC(=O)[C@@H]1C=CCN1 F10707 [0,1,0,0,0,0|0,0,2]=3 54 B9R1.11 COC(=O)[C@@H]1CSCN1 D74074 [0,1,0,0,0,0|1,0,0]=2 55 B9R1.11 COC(=O)[C@H]1CCNC1 C15796 [0,1,0,0,0,0|2,0,0]=3 56 B9R1.11 NC[C@H](O)C1CCCC1 W15961 [0,1,0,0,0,0|2,0,1]=4 57 B9R1.11 N[C@@H](CO)C1CCCC1 N11290 [0,1,0,0,0,0|2,0,1]=4 58 B9R1.11 N[C@@H](CO)C1CCCC1 N11334 [0,1,0,0,0,0|2,0,1]=4 59 B9R1.11 O=C(CBr)N1CCCC1 T71443 [0,1,0,0,0,0|3,0,0]=4 60 B9R1.19 FC(F)(F)[C@@H]1CCCN1 AT10577 [0,1,0,0,0,0|2,0,1]=4 61 B9R1.19 NS(=O)(=O)C1CCCC1 C77560 [0,1,0,0,0,0|2,0,1]=4 62 B9R1.19 O=S(=O)([O-])C1CCCC1 AC6957 [0,1,0,0,0,0|2,0,1]=4 63 B9R1.35 CC(=O)N1CC[C@H](N)C1 C72166 [0,1,0,0,0,0|3,0,0]=4 64 B9R1.35 CC(=O)[C@H]1CCC(=O)C1 F53665 [0,1,0,0,0,0|2,0,1]=4 65 B9R1.35 CC1=NO[C@H](C(=O)O)C1 H10561 [0,1,0,0,0,0|2,0,1]=4 66 B9R1.35 CN1CC[C@H](C(=O)O)C1 P14492 [0,1,0,0,0,0|2,0,0]=3 67 B9R1.35 C[C@H]1CC[C@@H](C(=O)O)N1 AT11433 [0,1,0,0,0,0|0,0,0]=1 68 B9R1.35 NC1=N[C@H](C(=O)O)CS1 D77103 [0,1,0,0,0,0|1,0,2]=4 69 B9R1.35 NC1CNC(C(=O)O)C1 F19644 [0,1,0,0,0,0|0,0,0]=1 70 B9R1.35 N[C@@H]1C=C[C@H](C(=O)O)C1 86111 [0,1,0,0,0,0|1,0,1]=3 71 B9R1.35 N[C@H]1CC[C@@H](C(=O)O)C1 AC1030 [0,1,0,0,0,0|1,0,0]=2 72 B9R1.35 N[C@H]1CC[C@@H](C(=O)O)C1 S11069 [0,1,0,0,0,0|1,0,0]=2 73 B9R1.35 N[C@H]1CN[C@H](C(=O)O)C1 C15010 [0,1,0,0,0,0|0,0,0]=1 74 B9R1.35 N[C@H]1CN[C@H](C(=O)O)C1 C74364 [0,1,0,0,0,0|0,0,0]=1 75 B9R1.35 O=C(O)C1CC(F)CN1 39473 [0,1,0,0,0,0|0,0,0]=1 76 B9R1.35 O=C(O)[C@@H]1C[C@@H](F)CN1 P13403 [0,1,0,0,0,0|0,0,0]=1 77 B9R1.35 O=C(O)[C@@H]1C[C@@H](F)CN1 P14546 [0,1,0,0,0,0|0,0,0]=1 78 B9R1.35 O=C(O)[C@@H]1C[C@H](F)CN1 P10236 [0,1,0,0,0,0|0,0,0]=1 79 B9R1.35 O=C(O)[C@@H]1C[C@H](S)CN1 P11252 [0,1,0,0,0,0|0,0,0]=1 80 B9R1.35 O=C1C[C@H](C(=O)O)CN1 P15832 [0,1,0,0,0,0|2,0,1]=4 81 B9R1.35 O=C1NC[C@@H](C(=O)O)O1 W19722 [0,1,0,0,0,0|2,0,1]=4 82 B9R1.35 O=C1N[C@H](C(=O)O)CO1 93866 [0,1,0,0,0,0|1,0,1]=3 83 B9R1.41 CC(=O)[C@@H]1CCCC1=O F17111 [0,1,0,0,0,0|2,0,0]=3 84 B9R1.41 C[C@@H]1OCC[C@@H]1C(=O)O W10213 [0,1,0,0,0,0|2,0,0]=3 85 B9R1.41 C[C@H]1CNC[C@@H]1C(=O)O AT17205 [0,1,0,0,0,0|2,0,0]=3 86 B9R1.41 NC(=O)[C@H]1NCC[C@@H]1O E71624 [0,1,0,0,0,0|1,0,0]=2 87 B9R1.41 NC(=O)[C@H]1NCC[C@@H]1O W15326 [0,1,0,0,0,0|1,0,0]=2 88 B9R1.41 N[C@H]1CCC[C@@H]1C(=O)O AT13997 [0,1,0,0,0,0|1,0,0]=2 89 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O AT13975 [0,1,0,0,0,0|1,0,0]=2 90 B9R1.41 O=C(O)[C@H]1NCC[C@@H]1F D97117 [0,1,0,0,0,0|0,0,0]=1 91 B9R1.41 O=C(O)[C@H]1NCC[C@@H]1O P14778 [0,1,0,0,0,0|0,0,0]=1 92 B9R1.41 O=C(O)[C@H]1NCC[C@@H]1O P16430 [0,1,0,0,0,0|0,0,0]=1 93 B9R1.41 O=C(O)[C@H]1NCC[C@H]1O P14685 [0,1,0,0,0,0|0,0,0]=1 94 B9R1.163 CC1(C(=O)O)CSSC1 C15279 [0,1,0,0,0,0|3,0,0]=4 95 B9R1.163 C[C@]1(C(=O)O)CCNC1 D72045 [0,1,0,0,0,0|2,0,0]=3 96 B9R1.163 N[C@@]1(C(=O)O)CCNC1 F19622 [0,1,0,0,0,0|2,0,0]=3 97 B9R1.163 O=C(O)[C@]1(F)CCNC1 P12597 [0,1,0,0,0,0|2,0,0]=3 98 B9R1.163 O=C(O)[C@]1(O)CCNC1 32143 [0,1,0,0,0,0|2,0,0]=3 99 B9R1.163 O=C(O)[C@]1(O)CCOC1 F53622 [0,1,0,0,0,0|2,0,0]=3 100 B9R1.163 [2H][C@@]1(C(=O)O)CCCN1 D98940 [0,1,0,0,0,0|0,0,0]=1 101 B7R0.4 C#CCNCC(=O)O AT20711 [0,0,1,0,0,0|0,0,2]=3 102 B7R0.4 C#CCOCC(=O)O AT18966 [0,0,1,0,0,0|1,0,2]=4 103 B7R0.4 C#CCSCC(=O)O AT18970 [0,0,1,0,0,0|1,0,2]=4 104 B7R0.4 C=CCOCC(=O)O D77063 [0,0,1,0,0,0|1,0,2]=4 105 B7R0.4 CC(=O)NCCCN AR2174 [0,0,1,0,0,0|2,0,0]=3 106 B7R0.4 CCCCCC(N)=S W19000 [0,0,1,0,0,0|2,1,0]=4 107 B7R0.4 CCNCCC(N)=O A11725 [0,0,1,0,0,0|3,0,0]=4 108 B7R0.4 CC\C=C/CC(=O)O F18341 [0,0,1,0,0,0|1,0,1]=3 109 B7R0.4 CN(C)CCCCN V10255 [0,0,1,0,0,0|3,0,0]=4 110 B7R0.4 CNCCCC(N)=O AB11605 [0,0,1,0,0,0|3,0,0]=4 111 B7R0.4 COC\C=C\C(=O)O P17072 [0,0,1,0,0,0|2,0,1]=4 112 B7R0.4 C[S@](=O)CCCCN 13216 [0,0,1,0,0,0|2,0,0]=3 113 B7R0.4 NC(=O)CCCCBr AC9465 [0,0,1,0,0,0|2,0,0]=3 114 B7R0.4 NC(=O)CCCCCl AC5718 [0,0,1,0,0,0|2,0,0]=3 115 B7R0.4 NCCCCC(N)=O AC3685 [0,0,1,0,0,0|1,0,0]=2 116 B7R0.4 NCCSCC(=O)O AT25571 [0,0,1,0,0,0|1,0,0]=2 117 B7R0.4 O=C(Cl)COCCCl AT18762 [0,0,1,0,0,0|3,0,0]=4 118 B7R0.5 CC(=O)[C@@H](C)CCBr AC2947 [0,0,1,0,0,0|3,0,0]=4 119 B7R0.5 CCCC(=O)C(N)=O AC9508 [0,0,1,0,0,0|2,0,1]=4 120 B7R0.5 CCC[C@H](O)C(N)=O AC9726 [0,0,1,0,0,0|2,0,0]=3 121 B7R0.5 CNC[C@H](N)C(=O)O 88602 [0,0,1,0,0,0|1,0,0]=2 122 B7R0.5 C[Se]C[C@H](N)C(=O)O C16524 [0,0,1,0,0,0|1,0,0]=2 123 B7R0.5 NCC[C@H](F)C(=O)O F19724 [0,0,1,0,0,0|2,0,0]=3 124 B7R0.5 NCC[C@H](N)C(=O)O F10323 [0,0,1,0,0,0|1,0,0]=2 125 B7R0.15 CCC(CC)C(N)=O AC2944 [0,0,1,0,0,0|2,0,0]=3 126 B7R0.15 CC[C@@H](CN)C(=O)O 97589 [0,0,1,0,0,0|2,0,0]=3 127 B7R0.15 COC(OC)C(=O)O AT19758 [0,0,1,0,0,0|2,0,0]=3 128 B7R0.15 NC[C@@H](CO)C(=O)O FD10273 [0,0,1,0,0,0|3,0,0]=4 129 B9R2.7 O=C1N[C@H]2CCC[C@@H]12 F12974 [0,0,0,1,0,0|2,0,0]=3 130 B9R2.39 CC1=CC2CCC1C2 75573 [0,0,0,1,0,0|3,0,0]=4 131 B9R2.39 O=C1OC2CCC1C2 P17974 [0,0,0,1,0,0|1,0,0]=2 132 B9R2.39 O[C@@H]1C[C@H]2CC[C@@H]1O2 F50034 [0,0,0,1,0,0|2,0,1]=4 133 B7R1.18 C[C@H](N)C1CCC1 32380 [0,0,0,0,1,0|2,0,1]=4 134 B7R1.18 C[C@H](N)C1CCC1 93059 [0,0,0,0,1,0|2,0,1]=4 135 B7R1.18 C[C@H](N)C1CCC1 93061 [0,0,0,0,1,0|2,0,1]=4 136 B7R1.18 NC(=O)C1CNC1 E73179 [0,0,0,0,1,0|2,0,0]=3 137 B7R1.18 NC(=O)C1COC1 D86258 [0,0,0,0,1,0|2,0,0]=3 138 B7R1.18 NC(=S)C1CCC1 N12939 [0,0,0,0,1,0|1,1,0]=3 139 B7R1.18 NC(=S)N1CCC1 AT24983 [0,0,0,0,1,0|2,1,0]=4 140 B7R1.18 O=[N+]([O-])C1COC1 P16048 [0,0,0,0,1,0|2,0,1]=4 141 B9R1.6 CC(=O)[C@@H]1CCCCN1 F16683 [0,0,0,0,0,1|1,0,0]=2 142 B9R1.6 CC(=O)[C@H]1CCCNC1 P11325 [0,0,0,0,0,1|1,0,0]=2 143 B9R1.6 CC(=O)[C@H]1CCCOC1 AT13308 [0,0,0,0,0,1|2,0,0]=3 144 B9R1.6 CC(C)[C@@H]1CNCCN1 20127 [0,0,0,0,0,1|2,0,1]=4 145 B9R1.6 CC(C)[C@@H]1CNCCN1 20129 [0,0,0,0,0,1|2,0,1]=4 146 B9R1.6 CC(C)[C@@H]1CNCCN1 AT22713 [0,0,0,0,0,1|2,0,1]=4 147 B9R1.6 CC(C)[C@@H]1CNCCN1 W18944 [0,0,0,0,0,1|2,0,1]=4 148 B9R1.6 CC(C)[C@@H]1COCCN1 A50783 [0,0,0,0,0,1|2,0,1]=4 149 B9R1.6 CC(C)[C@@H]1COCCN1 F13098 [0,0,0,0,0,1|2,0,1]=4 150 B9R1.6 CC(C)[C@@H]1COCCN1 F19078 [0,0,0,0,0,1|2,0,1]=4 151 B9R1.6 CC(C)[C@H]1CCCNC1 F53728 [0,0,0,0,0,1|2,0,1]=4 152 B9R1.6 CN(C)[C@H]1CCCNC1 D84000 [0,0,0,0,0,1|3,0,0]=4 153 B9R1.6 CN(C)[C@H]1CCCNC1 Y10739 [0,0,0,0,0,1|3,0,0]=4 154 B9R1.6 C[C@H](O)C1CCCCC1 D77196 [0,0,0,0,0,1|2,0,1]=4 155 B9R1.6 C[C@H](O)[C@@H]1CNCCN1 91581 [0,0,0,0,0,1|1,0,1]=3 156 B9R1.6 C[C@H](O)[C@@H]1CNCCN1 91584 [0,0,0,0,0,1|1,0,1]=3 157 B9R1.6 NC(=O)N1CCNCC1 D76637 [0,0,0,0,0,1|3,0,0]=4 158 B9R1.6 NC(=O)N1CCOCC1 F14225 [0,0,0,0,0,1|3,0,0]=4 159 B9R1.6 NC(=O)[C@@H]1CCCCN1 CS3415 [0,0,0,0,0,1|1,0,0]=2 160 B9R1.6 NC(=O)[C@@H]1CNCCO1 W13722 [0,0,0,0,0,1|2,0,0]=3 161 B9R1.6 NC(=O)[C@@H]1COCCN1 F17613 [0,0,0,0,0,1|1,0,0]=2 162 B9R1.6 NC(=O)[C@@H]1COCCN1 F19100 [0,0,0,0,0,1|1,0,0]=2 163 B9R1.6 O=C(O)C1=CCCNC1 C10916 [0,0,0,0,0,1|0,0,2]=3 164 B9R1.6 O=C(O)C1=CCCNC1 F13202 [0,0,0,0,0,1|0,0,2]=3 165 B9R1.6 O=C(O)C1=CCCOC1 SC1721 [0,0,0,0,0,1|1,0,1]=3 166 B9R1.6 O=C(O)[C@@H]1CCCCS1 90959 [0,0,0,0,0,1|1,0,0]=2 167 B9R1.6 O=C(O)[C@@H]1CCCNN1 50467 [0,0,0,0,0,1|0,0,0]=1 168 B9R1.6 O=C(O)[C@@H]1CSCCN1 77694 [0,0,0,0,0,1|0,0,0]=1 169 B9R1.6 O=C([O-])[C@@H]1CCC=CO1 AT21457 [0,0,0,0,0,1|1,0,2]=4 170 B9R1.13 CC(=O)C=C1CCCC1 F13249 [0,0,0,0,0,1|2,0,1]=4 171 B9R1.13 CC(=O)CC1CCCC1 N12760 [0,0,0,0,0,1|2,0,0]=3 172 B9R1.13 CC(=O)CN1CCCC1 F50500 [0,0,0,0,0,1|3,0,0]=4 173 B9R1.13 CN(C)C[C@H]1CCCN1 H11176 [0,0,0,0,0,1|3,0,0]=4 174 B9R1.13 O=C(O)CC1SCCS1 AT15646 [0,0,0,0,0,1|2,0,0]=3 175 B9R1.13 O=C(O)C[C@H]1CCNC1 P11648 [0,0,0,0,0,1|2,0,0]=3 176 B9R1.13 OB(O)CC1CCCC1 A51283 [0,0,0,0,0,1|2,0,1]=4 177 B6R0.4 CC#CCC(=O)O AT21835 [1,0,1,0,0,0|0,0,2]=4 178 B6R0.4 CCCNC(=S)[S-] I11294 [1,0,1,0,0,0|0,2,0]=4 179 B6R0.4 CCNCC(=O)O T72729 [1,0,1,0,0,0|0,0,0]=2 180 B6R0.4 CCNC[C@H](C)O 91070 [1,0,1,0,0,0|1,0,1]=4 181 B6R0.4 CCONC(C)=O AT24904 [1,0,1,0,0,0|2,0,0]=4 182 B6R0.4 CNCCC(N)=O C78256 [1,0,1,0,0,0|2,0,0]=4 183 B6R0.4 C[C@H](O)CCCN AT20756 [1,0,1,0,0,0|1,0,1]=4 184 B6R0.4 NC(=O)CCCO AT20755 [1,0,1,0,0,0|2,0,0]=4 185 B6R0.4 NCCCC(=O)O T70552 [1,0,1,0,0,0|0,0,0]=2 186 B6R0.4 NCCCC(N)=O AC5898 [1,0,1,0,0,0|1,0,0]=3 187 B6R0.4 NOCCC(=O)O AT14539 [1,0,1,0,0,0|1,0,0]=3 188 B6R0.6 C#CCCCCN D76652 [1,0,1,0,0,0|1,0,1]=4 189 B6R0.6 C=CCSCCN AT25545 [1,0,1,0,0,0|2,0,0]=4 190 B6R0.6 COCCCCN C77605 [1,0,1,0,0,0|2,0,0]=4 191 B6R0.6 N#CCCCCN AC2033 [1,0,1,0,0,0|1,0,1]=4 192 B6R0.6 NCCSCCO AT25550 [1,0,1,0,0,0|1,0,1]=4 193 B6R0.6 O=CNCCCO AC9004 [1,0,1,0,0,0|2,0,0]=4 194 B6R0.6 OCCNCCO AB10274 [1,0,1,0,0,0|1,0,1]=4 195 B6R0.1 C=C[C@@H](C)CCC T72328 [1,0,1,0,0,0|2,0,0]=4 196 B6R0.1 COC[C@@H](N)CO 91276 [1,0,1,0,0,0|1,0,1]=4 197 B6R0.1 COC[C@@H](N)CO 91277 [1,0,1,0,0,0|1,0,1]=4 198 B6R0.1 COC[C@@H](N)CO C90595 [1,0,1,0,0,0|1,0,1]=4 199 B6R0.1 CSC[C@@H](N)CO 96818 [1,0,1,0,0,0|1,0,1]=4 200 B6R0.1 CSC[C@@H](N)CO 96819 [1,0,1,0,0,0|1,0,1]=4 201 B6R0.1 N[C@H](CO)CCO AB10001 [1,0,1,0,0,0|1,0,1]=4 202 B6R0.3 C=C(CC)C(=O)O 81925 [1,0,1,0,0,0|0,0,2]=4 203 B6R0.3 C=C[C@H](N)C(=O)O 33549 [1,0,1,0,0,0|0,0,2]=4 204 B6R0.3 C=C[C@H](N)C(=O)O 33604 [1,0,1,0,0,0|0,0,2]=4 205 B6R0.3 C=C[C@H](N)C(=O)O F31266 [1,0,1,0,0,0|0,0,2]=4 206 B6R0.3 CCC(N)C(C)O N14662 [1,0,1,0,0,0|1,0,1]=4 207 B6R0.3 CC[C@H](S)C(=O)O F11548 [1,0,1,0,0,0|1,0,0]=3 208 B6R0.3 C[C@@H](CN)C(=O)O 32005 [1,0,1,0,0,0|1,0,0]=3 209 B6R0.3 C[C@H](C#N)C(=O)O C77562 [1,0,1,0,0,0|1,0,1]=4 210 B6R0.3 C[C@H](ON)C(=O)O AT14508 [1,0,1,0,0,0|2,0,0]=4 211 B6R0.3 NC(=O)[C@@H](N)CO D75097 [1,0,1,0,0,0|2,0,0]=4 212 B6R0.3 NC(=O)[C@@H](N)CO D75099 [1,0,1,0,0,0|2,0,0]=4 213 B6R0.3 NC[C@H](F)C(=O)O 94840 [1,0,1,0,0,0|2,0,0]=4 214 B6R0.3 NC[C@H](F)C(=O)O 94844 [1,0,1,0,0,0|2,0,0]=4 215 B6R0.3 NC[C@H](F)C(=O)O 94847 [1,0,1,0,0,0|2,0,0]=4 216 B6R0.3 N[C@@H](CCl)C(=O)O FD21125 [1,0,1,0,0,0|1,0,0]=3 217 B6R0.3 O=C(O)[C@@H](Br)CF AT22926 [1,0,1,0,0,0|2,0,0]=4 218 B6R0.3 O=C(O)[C@@H](Cl)CO 21136 [1,0,1,0,0,0|2,0,0]=4 219 B6R0.3 [15NH2][C@@H](CO)C(=O)O 41392 [1,0,1,0,0,0|1,0,0]=3 220 B6R0.9 CC[C@H](C#N)C=O 81909 [1,0,1,0,0,0|2,0,0]=4 221 B6R1.2 FC1CCCC1 T71800 [2,0,0,0,0,0|2,0,0]=4 222 B6R1.2 O=C1CCON1 A11072 [2,0,0,0,0,0|1,0,1]=4 223 B6R1.2 O=C1CNCN1 C15062 [2,0,0,0,0,0|1,0,1]=4 224 B8R0.5 C=CC[C@H](N)CC(=O)O 77811 [0,1,1,0,0,0|1,0,1]=4 225 B8R0.5 CCC[C@H](N)CC(=O)O N15479 [0,1,1,0,0,0|1,0,0]=3 226 B8R0.5 CCC[C@H](N)CC(=O)O N15480 [0,1,1,0,0,0|1,0,0]=3 227 B8R0.6 CNC(=O)OCCCN AT13711 [0,1,1,0,0,0|2,0,0]=4 228 B8R0.6 COC(=O)NCCCN AT13710 [0,1,1,0,0,0|1,0,0]=3 229 B8R0.7 CC(=O)NCCCCN S12336 [0,1,1,0,0,0|1,0,0]=3 230 B8R0.7 CCCCC#CC(=O)O T71801 [0,1,1,0,0,0|1,0,1]=4 231 B8R0.7 CCCCNCC(=O)O D87235 [0,1,1,0,0,0|0,0,0]=2 232 B8R0.7 CNCCCNC(C)=O C78307 [0,1,1,0,0,0|2,0,0]=4 233 B8R0.7 N=C(N)NCCCCN FD1295 [0,1,1,0,0,0|2,0,0]=4 234 B8R0.7 NC(=O)CCCCCO AC6170 [0,1,1,0,0,0|2,0,0]=4 235 B8R0.7 O=C(O)CCOCCBr C70446 [0,1,1,0,0,0|1,0,0]=3 236 B8R0.7 O=C(O)CCOCCO C70447 [0,1,1,0,0,0|1,0,0]=3 237 B8R0.7 O=CNCCCC(=O)O AB3831 [0,1,1,0,0,0|1,0,1]=4 238 B8R0.8 C=CCC[C@H](N)C(=O)O AT23573 [0,1,1,0,0,0|1,0,1]=4 239 B8R0.8 C=CCC[C@H](N)C(=O)O AT23574 [0,1,1,0,0,0|1,0,1]=4 240 B8R0.8 CC(=O)N(C)CCCN C78500 [0,1,1,0,0,0|2,0,0]=4 241 B8R0.8 CCCC[C@H](N)C(N)=O S11604 [0,1,1,0,0,0|2,0,0]=4 242 B8R0.8 CCOC[C@H](N)C(=O)O AT12801 [0,1,1,0,0,0|2,0,0]=4 243 B8R0.9 CNC(=O)NCC(=O)O AT23077 [0,1,1,0,0,0|1,0,1]=4 244 B8R0.9 [15NH2]CC(=O)CCC(=O)O D98679 [0,1,1,0,0,0|0,0,1]=3 245 B8R0.21 CS(=O)(=O)CCCCN AT13641 [0,1,1,0,0,0|1,0,1]=4 246 B8R0.28 CC(C)C\C=C\C(=O)O 81164 [0,1,1,0,0,0|1,0,1]=4 247 B8R0.28 CN(C)CCCC(=O)O A11102 [0,1,1,0,0,0|2,0,0]=4 248 B8R0.28 NC(=O)NCCC(=O)O A12540 [0,1,1,0,0,0|1,0,1]=4 249 B8R0.2 C=C[C@@H](C)[C@H](N)C(=O)O C90327 [0,1,1,0,0,0|0,0,2]=4 250 B8R0.2 CC[C@@H](C)[C@H](Br)C(=O)O 60005 [0,1,1,0,0,0|1,0,0]=3 251 B8R0.2 CC[C@H](C)[C@H](Cl)C(=O)O T70778 [0,1,1,0,0,0|1,0,0]=3 252 B8R0.3 C#CC[C@H](N)C(=O)OC AT23614 [0,1,1,0,0,0|0,0,2]=4 253 B8R0.3 C#CC[C@H](N)C(=O)OC AT23615 [0,1,1,0,0,0|0,0,2]=4 254 B8R0.3 C#CC[C@H](N)C(=O)OC AT23616 [0,1,1,0,0,0|0,0,2]=4 255 B8R0.3 C=CC[C@H](N)C(=O)OC 50495 [0,1,1,0,0,0|0,0,2]=4 256 B8R0.3 CCC[C@H](N)C(=O)OC F20626 [0,1,1,0,0,0|0,0,0]=2 257 B8R0.3 COC(=O)[C@H](C)NC=O FD21108 [0,1,1,0,0,0|1,0,1]=4 258 B8R0.3 COC[C@H](O)C(=O)OC AT24811 [0,1,1,0,0,0|2,0,0]=4 259 B8R0.12 C=CC[C@](C)(N)C(=O)O F12085 [0,1,1,0,0,0|0,0,2]=4 260 B8R0.12 CC(C)(CCF)C(=O)O AT15946 [0,1,1,0,0,0|2,0,0]=4 261 B8R0.12 CC(C)(CCN)C(=O)O 30051 [0,1,1,0,0,0|2,0,0]=4 262 B8R0.12 CC(C)(CCN)C(=O)O 74008 [0,1,1,0,0,0|2,0,0]=4 263 B8R0.12 CCCC(F)(F)C(=O)O AT13009 [0,1,1,0,0,0|1,0,0]=3 264 B8R0.12 CCC[C@](C)(N)C(=O)O AT19771 [0,1,1,0,0,0|0,0,0]=2 265 B8R0.12 CCC[C@](C)(N)C(=O)O D78558 [0,1,1,0,0,0|0,0,0]=2 266 B8R0.12 CCNC(C)(C)C(=O)O AT23404 [0,1,1,0,0,0|0,0,0]=2 267 B8R0.12 CNCC(F)(F)C(=O)O F53123 [0,1,1,0,0,0|2,0,0]=4 268 B8R0.12 CNCC(F)(F)C(=O)O F53124 [0,1,1,0,0,0|2,0,0]=4 269 B8R0.12 COCC(F)(F)C(=O)O AT25474 [0,1,1,0,0,0|2,0,0]=4 270 B8R0.12 COC[C@](C)(N)C(=O)O AT12803 [0,1,1,0,0,0|1,0,0]=3 271 B8R0.12 CSCC(C)(C)C(=O)O W18315 [0,1,1,0,0,0|2,0,0]=4 272 B8R0.12 [2H]C([2H])(CCC)C(=O)O D98364 [0,1,1,0,0,0|1,0,0]=3 273 B8R0.12 [2H]C([2H])(CCN)C(=O)O D98120 [0,1,1,0,0,0|2,0,0]=4 274 B8R0.15 CCC[C@H](NC)C(=O)O AT16735 [0,1,1,0,0,0|0,0,0]=2 275 B8R0.15 CCC[C@H](NC)C(=O)O C15224 [0,1,1,0,0,0|0,0,0]=2 276 B8R0.15 CCC[C@H](OC)C(=O)O AC8429 [0,1,1,0,0,0|1,0,0]=3 277 B8R0.15 CCO[C@@H](CC)C(=O)O AC6373 [0,1,1,0,0,0|1,0,0]=3 278 B8R0.15 CN[C@@H](COC)C(=O)O AT12797 [0,1,1,0,0,0|1,0,0]=3 279 B8R0.23 CC(=O)N[C@@H](C)C(N)=O FD21101 [0,1,1,0,0,0|1,0,1]=4 280 B8R0.23 CC(C)O[C@@H](C)C(=O)O AT22894 [0,1,1,0,0,0|1,0,0]=3 281 B8R0.23 CN(C)C[C@H](N)C(=O)O 51291 [0,1,1,0,0,0|1,0,0]=3 282 B8R0.23 CN(C)C[C@H](N)C(=O)O D75181 [0,1,1,0,0,0|1,0,0]=3 283 B8R0.23 C[C@H](NC(=N)N)C(=O)O C15104 [0,1,1,0,0,0|1,0,1]=4 284 B8R0.23 C[C@H](NC(N)=O)C(=O)O AT23076 [0,1,1,0,0,0|1,0,1]=4 285 B8R0.23 N[C@@H](CC(F)F)C(=O)O F53560 [0,1,1,0,0,0|1,0,0]=3 286 B8R0.23 [15NH2]C(=O)C[C@H]([15NH2])C(=O)O 41391 [0,1,1,0,0,0|1,0,1]=4 287 B8R0.23 [15NH2][C@@H](CC(=O)O)C(=O)O 41415 [0,1,1,0,0,0|1,0,1]=4 288 B8R0.18 CO[C@H](C(=O)O)C(C)C 96143 [0,1,1,0,0,0|1,0,0]=3 289 B8R0.18 CO[C@H](C(=O)O)C(C)C AC6556 [0,1,1,0,0,0|1,0,0]=3 290 B8R1.1 N[C@@H]1CN[C@@H](CO)C1 91823 [1,1,0,0,0,0|0,0,1]=3 291 B8R1.1 N[C@@H]1CN[C@H](CO)C1 91824 [1,1,0,0,0,0|0,0,1]=3 292 B8R1.1 OCC1CCC(F)C1 AT22250 [1,1,0,0,0,0|1,0,1]=4 293 B8R1.1 OC[C@H]1C[C@H](O)CN1 F13011 [1,1,0,0,0,0|0,0,1]=3 294 B8R1.8 C=CC[C@H]1CCCN1 N15483 [1,1,0,0,0,0|1,0,0]=3 295 B8R1.8 CCC[C@H]1CCCN1 N12832 [1,1,0,0,0,0|1,0,1]=4 296 B8R1.8 COC[C@H]1CCCN1 C77885 [1,1,0,0,0,0|0,0,1]=3 297 B8R1.8 O=CCN1CCCC1 AC9721 [1,1,0,0,0,0|2,0,0]=4 298 B8R1.8 OCC[C@H]1CCCO1 56770 [1,1,0,0,0,0|1,0,1]=4 299 B8R1.11 N[C@H]1CCC[C@H]1CO AT21374 [1,1,0,0,0,0|1,0,1]=4 300 B8R1.11 OC[C@H]1OCC[C@@H]1O E71898 [1,1,0,0,0,0|1,0,1]=4 301 B8R1.52 C[C@]1(CO)CCCN1 AT21799 [1,1,0,0,0,0|0,0,1]=3 302 B8R1.52 OCC1(F)CCCC1 85748 [1,1,0,0,0,0|1,0,1]=4 303 B8R1.23 C[C@H]1C[C@@H](C(=O)O)C1 37681 [0,1,0,0,1,0|0,0,0]=2 304 B8R1.23 NC1CC(C(=O)O)C1 87717 [0,1,0,0,1,0|0,0,0]=2 305 B8R1.31 C[C@H]1NC[C@@H]1C(=O)O P18148 [0,1,0,0,1,0|1,0,0]=3 306 B8R1.38 CCC(=O)C1CCC1 F53463 [0,1,0,0,1,0|1,0,0]=3 307 B8R1.38 COC(=O)[C@@H]1CCN1 P19136 [0,1,0,0,1,0|0,0,0]=2 308 B8R1.38 NCC(=O)N1CCC1 C77774 [0,1,0,0,1,0|2,0,0]=4 309 B8R1.38 NC[C@H](O)C1CCC1 AT11473 [0,1,0,0,1,0|1,0,1]=4 310 B8R1.38 N[C@@H](CO)C1CCC1 N11362 [0,1,0,0,1,0|1,0,1]=4 311 B8R1.38 N\C(=N/O)C1CCC1 F53368 [0,1,0,0,1,0|1,0,0]=3 312 B8R1.78 CC1(C(=O)Cl)CCC1 C77609 [0,1,0,0,1,0|1,0,0]=3 313 B8R1.78 CC1(C(=O)O)CNC1 A50764 [0,1,0,0,1,0|1,0,0]=3 314 B8R1.78 NC(=O)C1(N)CNC1 P13008 [0,1,0,0,1,0|2,0,0]=4 315 B8R1.78 NC1(C(=O)O)COC1 AT13394 [0,1,0,0,1,0|1,0,0]=3 316 B10R1.13 CC(=O)C1CCC(=O)CC1 F53160 [0,1,0,0,0,1|2,0,0]=4 317 B10R1.13 C[C@@H]1CC[C@H](C(=O)O)CN1 C90710 [0,1,0,0,0,1|0,0,0]=2 318 B10R1.13 C[C@H]1CC[C@H](C(=O)O)CN1 F18655 [0,1,0,0,0,1|0,0,0]=2 319 B10R1.13 NC(=O)C1CCC(O)CC1 P18990 [0,1,0,0,0,1|2,0,0]=4 320 B10R1.13 O=C1CC[C@@H](C(=O)O)NC1 P10634 [0,1,0,0,0,1|0,0,0]=2 321 B10R1.13 O=C1CN[C@H](C(=O)O)CN1 74997 [0,1,0,0,0,1|0,0,1]=3 322 B10R1.13 O=C1CN[C@H](C(=O)O)CN1 C73109 [0,1,0,0,0,1|0,0,1]=3 323 B10R1.15 CNC(=O)[C@@H]1CCCCN1 C77819 [0,1,0,0,0,1|1,0,0]=3 324 B10R1.15 CNC(=O)[C@@H]1CCCCN1 C78037 [0,1,0,0,0,1|1,0,0]=3 325 B10R1.15 CNC(=O)[C@@H]1CCCCN1 C78113 [0,1,0,0,0,1|1,0,0]=3 326 B10R1.15 CNC(=O)[C@H]1CCCNC1 AC6269 [0,1,0,0,0,1|1,0,0]=3 327 B10R1.15 COC(=O)C1=CCCCO1 S11698 [0,1,0,0,0,1|1,0,1]=4 328 B10R1.15 COC(=O)[C@@H]1CNCCN1 64289 [0,1,0,0,0,1|0,0,0]=2 329 B10R1.15 COC(=O)[C@@H]1CNCCN1 F16118 [0,1,0,0,0,1|0,0,0]=2 330 B10R1.15 COC(=O)[C@@H]1CNCCO1 F19021 [0,1,0,0,0,1|1,0,0]=3 331 B10R1.15 COC(=O)[C@@H]1CNCCO1 F19022 [0,1,0,0,0,1|1,0,0]=3 332 B10R1.15 COC(=O)[C@@H]1COCCN1 D76308 [0,1,0,0,0,1|0,0,0]=2 333 B10R1.15 N=C(NO)C1CCCCC1 91925 [0,1,0,0,0,1|2,0,0]=4 334 B10R1.15 NCC(=O)C1CCCCC1 P14033 [0,1,0,0,0,1|2,0,0]=4 335 B10R1.15 O=C(CO)N1CCNCC1 AT23104 [0,1,0,0,0,1|2,0,0]=4 336 B10R1.28 CS(=O)(=O)[C@H]1CCCNC1 P19944 [0,1,0,0,0,1|1,0,1]=4 337 B10R1.61 CC1=C(C(=O)O)CCCO1 H11485 [0,1,0,0,0,1|1,0,1]=4 338 B10R1.61 CC1CNCCC1C(=O)O 33568 [0,1,0,0,0,1|1,0,0]=3 339 B10R1.61 CN1CCNC[C@H]1C(=O)O C14452 [0,1,0,0,0,1|0,0,0]=2 340 B10R1.61 CN1CCNC[C@H]1C(=O)O F13276 [0,1,0,0,0,1|0,0,0]=2 341 B10R1.61 C[C@@H]1CCCN[C@@H]1C(=O)O 92901 [0,1,0,0,0,1|0,0,0]=2 342 B10R1.61 C[C@@H]1CCCN[C@@H]1C(=O)O AT11559 [0,1,0,0,0,1|0,0,0]=2 343 B10R1.61 C[C@@H]1NCCC[C@@H]1C(=O)O AT23064 [0,1,0,0,0,1|0,0,0]=2 344 B10R1.61 C[C@H]1CCCC=C1C(=O)O AT26703 [0,1,0,0,0,1|1,0,1]=4 345 B10R1.61 NC(=O)C1CCCCC1N AT21040 [0,1,0,0,0,1|2,0,0]=4 346 B10R1.61 NC1CCCCC1C(=O)O 71292 [0,1,0,0,0,1|1,0,0]=3 347 B10R1.61 N[C@H]1COCC[C@H]1C(=O)O AT19404 [0,1,0,0,0,1|1,0,0]=3 348 B10R1.113 CC1CC(C(=O)O)CCN1 88368 [0,1,0,0,0,1|1,0,0]=3 349 B10R1.113 CN1CCN[C@H](C(=O)O)C1 AB2925 [0,1,0,0,0,1|0,0,0]=2 350 B10R1.113 CN1CCO[C@H](C(=O)O)C1 F17615 [0,1,0,0,0,1|1,0,0]=3 351 B10R1.113 C[C@H]1CNC[C@@H](C(=O)O)O1 F18898 [0,1,0,0,0,1|1,0,0]=3 352 B10R1.113 C[C@H]1CNC[C@@H](C(=O)O)O1 F18902 [0,1,0,0,0,1|1,0,0]=3 353 B10R1.113 N[C@H]1CCC[C@H](C(=O)O)C1 P11798 [0,1,0,0,0,1|1,0,0]=3 354 B10R1.113 O=C1CCN[C@H](C(=O)O)C1 70893 [0,1,0,0,0,1|0,0,0]=2 355 B10R1.113 O=C1CCN[C@H](C(=O)O)C1 C14251 [0,1,0,0,0,1|0,0,0]=2 356 B10R1.113 O=C1CNC[C@@H](C(=O)O)N1 76385 [0,1,0,0,0,1|0,0,1]=3 357 B10R1.113 O=C1CSC[C@@H](C(=O)O)N1 AT25443 [0,1,0,0,0,1|0,0,1]=3 358 B10R1.363 CC(=O)C1(C)CCNCC1 E71837 [0,1,0,0,0,1|2,0,0]=4 359 B10R1.363 CC1(C(N)=O)CCNCC1 F13744 [0,1,0,0,0,1|2,0,0]=4 360 B10R1.363 C[C@@]1(C(=O)O)CCCCN1 29585 [0,1,0,0,0,1|0,0,0]=2 361 B10R1.363 NC1(C(=O)O)CCCCC1 I11975 [0,1,0,0,0,1|1,0,0]=3 362 B10R1.363 NC1(C(=O)O)CCSCC1 F30382 [0,1,0,0,0,1|1,0,0]=3 363 B10R1.363 O=C(O)C1(F)CCNCC1 D75180 [0,1,0,0,0,1|1,0,0]=3 364 B10R1.363 O=C(O)C1(O)CCNCC1 C80061 [0,1,0,0,0,1|1,0,0]=3 365 B10R1.363 O=C(O)[C@]1(F)CCCNC1 AT26792 [0,1,0,0,0,1|0,0,0]=2 366 B10R1.363 O=C(O)[C@]1(O)CCCNC1 F53431 [0,1,0,0,0,1|0,0,0]=2 367 B10R1.363 O=C(O)[C@]1(O)CCCNC1 F53597 [0,1,0,0,0,1|0,0,0]=2 368 B10R1.363 [2H]C1(C(=O)O)CCCCC1 D99315 [0,1,0,0,0,1|1,0,0]=3 369 B10R1.27 COC(=O)C[C@H]1CCCN1 D78493 [0,1,0,0,0,1|0,0,0]=2 370 B10R1.27 COC(=O)C[C@H]1CCCO1 F52226 [0,1,0,0,0,1|1,0,0]=3 371 B10R1.27 COC(=O)C[C@H]1CCOC1 D76458 [0,1,0,0,0,1|2,0,0]=4 372 B10R1.54 CC(=O)O[C@H]1CC[C@H](N)C1 C93262 [0,1,0,0,0,1|2,0,0]=4 373 B10R1.54 CN1CC[C@H](CC(=O)O)C1 C77745 [0,1,0,0,0,1|2,0,0]=4 374 B10R1.54 O=C(O)CC1CCC(O)C1 AT26924 [0,1,0,0,0,1|1,0,0]=3 375 B10R1.54 O=C(O)CN1CC[C@H](O)C1 S11123 [0,1,0,0,0,1|2,0,0]=4 376 B10R1.54 O=C(O)C[C@H]1CCC(=O)C1 88864 [0,1,0,0,0,1|1,0,1]=4 377 B10R1.54 O=C(O)C[C@H]1CCC(=O)N1 AT18840 [0,1,0,0,0,1|0,0,1]=3 378 B10R1.54 O=C(O)C[C@H]1C[C@H](O)CN1 FD10331 [0,1,0,0,0,1|0,0,0]=2 379 B10R1.64 CC(=O)N[C@H]1CCC[C@@H]1O AC4019 [0,1,0,0,0,1|2,0,0]=4 380 B10R1.64 O=C(O)C[C@H]1CCNC1=O AT19070 [0,1,0,0,0,1|2,0,0]=4 381 B10R1.11 CCOC(=O)[C@@H]1CC=NN1 27528 [0,2,0,0,0,0|1,0,1]=4 382 B10R1.11 CCOC(=O)[C@@H]1CCCS1 98589 [0,2,0,0,0,0|1,0,0]=3 383 B10R1.11 CCOC(=O)[C@H]1CCNC1 AC7559 [0,2,0,0,0,0|2,0,0]=4 384 B10R1.11 CCOC(=O)[C@H]1CCSC1 W10963 [0,2,0,0,0,0|2,0,0]=4 385 B10R1.14 C=C1CN[C@H](C(=O)OC)C1 D80706 [0,2,0,0,0,0|0,0,1]=3 386 B10R1.14 COC(=O)C1C=CC(N)C1 AT12408 [0,2,0,0,0,0|1,0,1]=4 387 B10R1.14 COC(=O)C1C=CC(N)C1 AT26068 [0,2,0,0,0,0|1,0,1]=4 388 B10R1.14 COC(=O)C1CCC(N)C1 F31402 [0,2,0,0,0,0|1,0,0]=3 389 B10R1.14 COC(=O)N1CC[C@H](O)C1 AT22495 [0,2,0,0,0,0|2,0,0]=4 390 B10R1.14 COC(=O)[C@@H]1C[C@H](N)CO1 F50103 [0,2,0,0,0,0|1,0,0]=3 391 B10R1.14 COC(=O)[C@H]1C=C[C@@H](N)C1 I11714 [0,2,0,0,0,0|1,0,1]=4 392 B10R1.14 COC(=O)[C@H]1C=C[C@@H](N)C1 I11808 [0,2,0,0,0,0|1,0,1]=4 393 B10R1.14 COC(=O)[C@H]1CC[C@H](N)C1 P17296 [0,2,0,0,0,0|1,0,0]=3 394 B10R1.14 COC(=O)[C@H]1CC[C@H](N)C1 S10609 [0,2,0,0,0,0|1,0,0]=3 395 B10R1.149 CCC(=O)C1NCCC1O S10053 [0,2,0,0,0,0|1,0,0]=3 396 B10R1.149 COC(=O)C1NCCC1O F51597 [0,2,0,0,0,0|0,0,0]=2 397 B10R1.149 COC(=O)[C@@H]1CCCN1C C74446 [0,2,0,0,0,0|0,0,0]=2 398 B10R1.149 COC(=O)[C@@H]1CCC[C@@H]1N 98154 [0,2,0,0,0,0|1,0,0]=3 399 B10R1.149 COC(=O)[C@H]1COC[C@@H]1N D79669 [0,2,0,0,0,0|2,0,0]=4 400 B10R1.149 COC(=O)[C@H]1NCC[C@H]1O P11675 [0,2,0,0,0,0|0,0,0]=2 401 B10R1.411 COC(=O)C1(C)CCCC1 57441 [0,2,0,0,0,0|1,0,0]=3 402 B10R1.411 COC(=O)[C@@]1(C)CCNC1 F13593 [0,2,0,0,0,0|2,0,0]=4 403 B10R1.411 COC(=O)[C@@]1(C)CCOC1 P13849 [0,2,0,0,0,0|2,0,0]=4 404 B10R1.411 COC(=O)[C@]1(C)CCCN1 F11555 [0,2,0,0,0,0|0,0,0]=2 405 B10R1.411 COC(=O)[C@]1(C)CCCN1 F20252 [0,2,0,0,0,0|0,0,0]=2 406 B10R1.411 COC(=O)[C@]1(O)CCNC1 P14870 [0,2,0,0,0,0|2,0,0]=4 407 B10R1.59 CN1C[C@@H](O)C[C@H]1C(=O)O FD21788 [0,2,0,0,0,0|0,0,0]=2 408 B10R1.59 CN1C[C@H](O)C[C@H]1C(=O)O C16643 [0,2,0,0,0,0|0,0,0]=2 409 B10R1.59 C[C@H]1C[C@@H](C(=O)O)N(C)C1 P15810 [0,2,0,0,0,0|0,0,0]=2 410 B10R1.59 C[C@H]1OC(=O)N[C@@H]1C(=O)O 93924 [0,2,0,0,0,0|1,0,1]=4 411 B10R1.194 CC1=C(C(=O)O)CC[C@@H]1O 97942 [0,2,0,0,0,0|1,0,1]=4 412 B10R1.194 CN1C(=O)CC[C@H]1C(N)=O F13274 [0,2,0,0,0,0|1,0,1]=4 413 B10R1.359 CC1(C)CC[C@@H](C(=O)O)N1 AT23798 [0,2,0,0,0,0|0,0,0]=2 414 B10R1.359 CC1(C)CN[C@H](C(=O)O)C1 AT21812 [0,2,0,0,0,0|0,0,0]=2 415 B10R1.359 CC1(C)CN[C@H](C(=O)O)C1 P11128 [0,2,0,0,0,0|0,0,0]=2 416 B10R1.359 CC1(C)OC[C@@H](C(=O)O)O1 60071 [0,2,0,0,0,0|2,0,0]=4 417 B10R1.359 NC(=O)[C@@H]1CC(F)(F)CN1 AC4300 [0,2,0,0,0,0|1,0,0]=3 418 B10R1.359 O=C(O)[C@@H]1CC(F)(F)CN1 P13610 [0,2,0,0,0,0|0,0,0]=2 419 B10R1.470 C[C@@]1(C(N)=O)C[C@@H](O)CN1 P12549 [0,2,0,0,0,0|1,0,0]=3 420 B10R1.39 CCN1CCC[C@H]1C(N)=O T72395 [0,2,0,0,0,0|1,0,0]=3 421 B10R1.128 CC1(C)CCN[C@@H]1C(=O)O F30669 [0,2,0,0,0,0|0,0,0]=2 422 B10R1.128 CC1(C)CNC[C@@H]1C(=O)O 27464 [0,2,0,0,0,0|2,0,0]=4 423 B10R1.128 CC1(C)SCN[C@@H]1C(=O)O A12302 [0,2,0,0,0,0|1,0,0]=3 424 B10R1.128 O=C(O)[C@H]1CNCC1(F)F W16366 [0,2,0,0,0,0|2,0,0]=4 425 B10R1.291 CN1CCC[C@@]1(C)C(=O)O AT11331 [0,2,0,0,0,0|0,0,0]=2 426 B10R1.291 C[C@@]1(C(=O)O)CCNC1=O AT19086 [0,2,0,0,0,0|2,0,0]=4 427 B10R1.477 CN[C@@]1(C(=O)O)CCOC1 33411 [0,2,0,0,0,0|2,0,0]=4 428 B10R1.477 N#CC1(C(=O)O)CCCC1 71630 [0,2,0,0,0,0|1,0,0]=3 429 B10R1.477 O=C(O)[C@]1(CO)CCCO1 C15808 [0,2,0,0,0,0|1,0,0]=3 430 B8R1.4 CC1CNC[C@H](C)O1 F18928 [0,0,1,1,0,0|1,0,1]=4 431 B8R1.4 C[C@H]1CCCC(=O)C1 90784 [0,0,1,1,0,0|2,0,0]=4 432 B8R1.4 C[C@H]1CCCC(=O)N1 90463 [0,0,1,1,0,0|2,0,0]=4 433 B8R1.4 C[C@H]1CNCC(=O)N1 P13905 [0,0,1,1,0,0|1,0,0]=3 434 B8R1.4 C[C@H]1CNC[C@@H](C)O1 F18871 [0,0,1,1,0,0|1,0,1]=4 435 B8R1.4 C[C@H]1CNC[C@@H](O)C1 AT13824 [0,0,1,1,0,0|1,0,1]=4 436 B8R1.4 C[C@H]1CNC[C@H](C)O1 F18885 [0,0,1,1,0,0|1,0,1]=4 437 B8R1.4 N[C@@H]1COCC(=O)C1 F51972 [0,0,1,1,0,0|2,0,0]=4 438 B8R1.4 N[C@H]1CCC[C@H](O)C1 F11499 [0,0,1,1,0,0|1,0,1]=4 439 B8R1.4 N[C@H]1CCC[C@H](O)C1 P19975 [0,0,1,1,0,0|1,0,1]=4 440 B8R1.4 O=C1CCC[C@H](O)C1 P16037 [0,0,1,1,0,0|2,0,0]=4 441 B8R1.6 CCCN1CC(O)C1 P19017 [0,0,1,1,0,0|1,0,1]=4 442 B8R1.22 O[C@H]1CCCCNC1 73004 [0,0,1,1,0,0|1,0,1]=4 443 B8R1.34 O=C(Cl)CC1CCC1 AT23645 [0,0,1,1,0,0|2,0,0]=4 444 B8R1.34 O=C(O)CC1CNC1 A50755 [0,0,1,1,0,0|2,0,0]=4 445 B8R1.34 O=C(O)CC1CNC1 P10897 [0,0,1,1,0,0|2,0,0]=4 446 B8R1.43 CCC1CC1C(=O)O AT12378 [0,0,1,1,0,0|1,0,0]=3 447 B8R1.5 CC1NCCCC1O W19147 [0,0,1,1,0,0|1,0,1]=4 448 B8R1.5 NC1CCCCC1O F13372 [0,0,1,1,0,0|1,0,1]=4 449 B8R1.5 N[C@@H]1CCCC[C@@H]1O F53834 [0,0,1,1,0,0|1,0,1]=4 450 B8R1.5 N[C@H]1CCCNC1=O 51548 [0,0,1,1,0,0|1,0,0]=3 451 B8R1.18 C[C@@H]1NC(=O)OC1=O FD21041 [0,0,1,1,0,0|1,0,1]=4 452 B8R1.18 C[C@@H]1NC(=O)OC1=O FD21044 [0,0,1,1,0,0|1,0,1]=4 453 B8R1.30 C=C1C[C@]1(N)C(=O)O C12297 [0,0,1,1,0,0|0,0,2]=4 454 B8R1.54 N[C@H](C(=O)O)C1CC1 59338 [0,0,1,1,0,0|0,0,0]=2 455 B8R1.63 C=CC1(C(=O)O)CC1 AT12374 [0,0,1,1,0,0|1,0,1]=4 456 B8R1.63 NCC1(C(=O)O)CC1 AT13932 [0,0,1,1,0,0|2,0,0]=4 457 B8R1.63 NCC1(C(=O)O)CC1 C14697 [0,0,1,1,0,0|2,0,0]=4 458 B8R2.34 C1=CC2CC1CN2 F13786 [1,0,0,1,0,0|1,0,0]=3 459 B8R2.34 C1=C[C@@H]2CN[C@H]1C2 83547 [1,0,0,1,0,0|1,0,0]=3 460 B8R2.34 C1=C[C@@H]2CN[C@H]1C2 83549 [1,0,0,1,0,0|1,0,0]=3 461 B8R2.34 C1NC2CNC1C2 F18865 [1,0,0,1,0,0|1,0,1]=4 462 B8R2.34 C1N[C@@H]2CN[C@H]1C2 F12544 [1,0,0,1,0,0|1,0,1]=4 463 B8R2.34 C1N[C@@H]2CN[C@H]1C2 F19020 [1,0,0,1,0,0|1,0,1]=4 464 B8R2.34 C1O[C@@H]2CN[C@H]1C2 P12317 [1,0,0,1,0,0|0,0,1]=3 465 B8R2.55 C1CCC2(C1)CO2 AC8865 [1,0,0,1,0,0|1,0,1]=4 466 B8R2.55 C1CNC2(C1)CC2 80414 [1,0,0,1,0,0|1,0,1]=4 467 B10R2.61 O[C@@H]1C[C@H]2CCC[C@@H]1N2 P15058 [0,0,0,1,0,1|1,0,1]=4 468 B10R2.61 O[C@H]1C[C@H]2CCC[C@@H]1N2 P15059 [0,0,0,1,0,1|1,0,1]=4 469 B10R2.320 O=C1NC2CCCCC12 F18199 [0,0,0,1,0,1|2,0,0]=4 470 B10R2.351 NC(=O)[C@@H]1[C@H]2CNC[C@H]21 P16706 [0,0,0,1,0,1|2,0,0]=4 471 B10R2.351 O=C(O)[C@@H]1[C@H]2CNC[C@H]21 P11053 [0,0,0,1,0,1|1,0,0]=3 472 B10R2.351 O=C(O)[C@H]1[C@H]2CNC[C@H]21 P14891 [0,0,0,1,0,1|1,0,0]=3 473 B10R2.357 O=C(O)[C@@H]1C[C@@H]2C[C@@H]2N1 P10629 [0,0,0,1,0,1|0,0,0]=2 474 B10R2.2 O=C1CC2CCOC2O1 D74390 [0,0,0,1,0,1|2,0,0]=4 475 B10R2.28 O=S1(=O)C[C@@H]2C[C@H]1CN2 P18450 [0,0,0,1,0,1|1,0,1]=4 476 B10R2.71 O[C@H]1C[C@@H]2CC[C@H](C1)N2 P10202 [0,0,0,1,0,1|1,0,1]=4 477 B10R2.316 O=C1CC2(CCCC2)N1 P12755 [0,0,0,1,0,1|2,0,0]=4 478 B10R2.3 O=C1CCC12CCCC2 84855 [0,1,0,1,0,0|2,0,0]=4 479 B10R2.32 O=C1CCN2CCC[C@@H]12 F14126 [0,1,0,1,0,0|1,0,0]=3 480 B10R2.32 O=C1COC2OCCC12 91362 [0,1,0,1,0,0|2,0,0]=4 481 B10R2.32 OC1CCN2CCCC12 D96831 [0,1,0,1,0,0|1,0,1]=4 482 B10R2.178 O=C1CCC2CCC1C2 AT22812 [0,1,0,1,0,0|2,0,0]=4 483 B10R2.178 O[C@H]1CC[C@H]2CC[C@@H]1N2 D79171 [0,1,0,1,0,0|1,0,1]=4 484 B10R2.348 O=C(O)C12CC(CN1)C2 P10600 [0,1,0,1,0,0|0,0,0]=2 485 B10R2.20 CN1C2CCC1C(=O)C2 F13958 [0,1,0,1,0,0|1,0,0]=3 486 B10R2.63 CN1CC2CC(=O)C1C2 F13927 [0,1,0,1,0,0|1,0,0]=3 487 B6R1.6 N#C[C@@H]1CCN1 P14909 [1,0,0,0,1,0|1,0,1]=4 488 B6R1.6 NOC1CCC1 97653 [1,0,0,0,1,0|2,0,0]=4 489 B6R1.11 O=C(O)[C@@H]1CO1 C10184 [0,0,0,0,2,0|1,0,0]=3 490 B8R1.2 CC[C@H]1CCCCN1 N11156 [1,0,0,0,0,1|1,0,1]=4 491 B8R1.2 CC[C@H]1COCCN1 F19074 [1,0,0,0,0,1|1,0,1]=4 492 B8R1.2 N#C[C@@H]1CNCCN1 C14364 [1,0,0,0,0,1|1,0,1]=4 493 B8R1.2 N#C[C@@H]1CNCCN1 C15176 [1,0,0,0,0,1|1,0,1]=4 494 B8R1.2 O=CC1CCNCC1 62056 [1,0,0,0,0,1|1,0,0]=3 495 B8R1.2 OC[C@H]1CNCCN1 I11797 [1,0,0,0,0,1|0,0,1]=3 496 B8R1.2 OC[C@H]1COCCO1 D82528 [1,0,0,0,0,1|1,0,1]=4 497 B10R1.18 CC(=O)OC1CCNCC1 95803 [0,0,0,0,0,2|2,0,0]=4 498 B10R1.18 NC(=O)CC1CCNCC1 AC9776 [0,0,0,0,0,2|2,0,0]=4 499 B10R1.18 NC(=O)CC1CCOCC1 C14576 [0,0,0,0,0,2|2,0,0]=4 500 B10R1.18 NC(=O)NC1CCNCC1 AT22990 [0,0,0,0,0,2|2,0,0]=4 501 B10R1.18 O=C(Cl)OC1CCOCC1 C77597 [0,0,0,0,0,2|2,0,0]=4 502 B10R1.18 O=C(O)CN1CCSCC1 AT25287 [0,0,0,0,0,2|2,0,0]=4 503 B10R1.18 O=C(O)CN1CCSCC1 W18219 [0,0,0,0,0,2|2,0,0]=4 504 B10R1.18 O=C(O)C[C@H]1CCCCN1 AC1465 [0,0,0,0,0,2|0,0,0]=2 505 B10R1.18 O=C(O)C[C@H]1CCCNC1 AC3441 [0,0,0,0,0,2|0,0,0]=2 506 B10R1.18 O=C(O)C[C@H]1CNCCN1 S11349 [0,0,0,0,0,2|0,0,0]=2 507 B10R1.18 O=C(O)C[C@H]1COCCN1 77662 [0,0,0,0,0,2|0,0,0]=2 508 B10R1.18 O=C(O)C[C@H]1COCCN1 77663 [0,0,0,0,0,2|0,0,0]=2 509 B10R1.18 O=C(O)C[C@H]1COCCN1 77664 [0,0,0,0,0,2|0,0,0]=2 510 B10R1.18 O=C(O)C[C@H]1COCCO1 39095 [0,0,0,0,0,2|1,0,0]=3 511 B10R1.348 O=C(O)[C@@H]1CCCCCN1 98384 [0,0,0,0,0,2|0,0,0]=2 512 B10R1.348 O=C(O)[C@H]1CCCNCC1 98343 [0,0,0,0,0,2|0,0,0]=2 513 B10R1.66 NC(=O)COC1CCCC1 AC6964 [0,0,0,0,0,2|2,0,0]=4