0 B7R0.4 C#CCNCC(=O)O AT20711 [0,0,0,0,0,0|1,0,2]=3 1 B7R0.4 C#CCOCC(=O)O AT18966 [0,0,0,0,0,0|1,0,2]=3 2 B7R0.4 C#CCOCC(N)=O AT20727 [0,0,0,0,0,0|2,0,2]=4 3 B7R0.4 C#CCSCC(=O)O AT18970 [0,0,0,0,0,0|1,0,2]=3 4 B7R0.4 C=C(C)CC\C=C\C T72820 [0,0,0,0,0,0|2,0,2]=4 5 B7R0.4 C=CCOCC(=O)O D77063 [0,0,0,0,0,0|1,0,2]=3 6 B7R0.4 CC(=O)NCCCN AR2174 [0,0,0,0,0,0|3,0,0]=3 7 B7R0.4 CCCCCC(N)=S W19000 [0,0,0,0,0,0|1,1,0]=2 8 B7R0.4 CCNCCC(N)=O A11725 [0,0,0,0,0,0|2,0,0]=2 9 B7R0.4 CC\C=C/CC(=O)O F18341 [0,0,0,0,0,0|0,0,2]=2 10 B7R0.4 CN(C)CCCCN V10255 [0,0,0,0,0,0|4,0,0]=4 11 B7R0.4 CNCCCC(N)=O AB11605 [0,0,0,0,0,0|2,0,0]=2 12 B7R0.4 CNCCNC(C)=O C77870 [0,0,0,0,0,0|3,0,0]=3 13 B7R0.4 COCCC[N+](=O)[O-] E70181 [0,0,0,0,0,0|2,0,1]=3 14 B7R0.4 COC\C=C\C(=O)O P17072 [0,0,0,0,0,0|1,0,2]=3 15 B7R0.4 C[S@](=O)CCCCN 13216 [0,0,0,0,0,0|3,0,0]=3 16 B7R0.4 NC(=O)CCCCBr AC9465 [0,0,0,0,0,0|2,0,0]=2 17 B7R0.4 NC(=O)CCCCCl AC5718 [0,0,0,0,0,0|2,0,0]=2 18 B7R0.4 NCCCCC(N)=O AC3685 [0,0,0,0,0,0|2,0,0]=2 19 B7R0.4 NCCSCC(=O)O AT25571 [0,0,0,0,0,0|2,0,0]=2 20 B7R0.4 O=C(Cl)COCCCl AT18762 [0,0,0,0,0,0|3,0,0]=3 21 B6R0.4 C=C(C)CCCO 71061 [1,0,0,0,0,0|3,0,0]=4 22 B6R0.4 CC#CCC(=O)O AT21835 [1,0,0,0,0,0|0,0,2]=3 23 B6R0.4 CCCNC(=S)[S-] I11294 [1,0,0,0,0,0|1,2,0]=4 24 B6R0.4 CCNCC(=O)O T72729 [1,0,0,0,0,0|1,0,0]=2 25 B6R0.4 CCNC[C@H](C)O 91070 [1,0,0,0,0,0|2,0,1]=4 26 B6R0.4 CCONC(C)=O AT24904 [1,0,0,0,0,0|3,0,0]=4 27 B6R0.4 CNCCC(N)=O C78256 [1,0,0,0,0,0|2,0,0]=3 28 B6R0.4 COCOC(C)=O D72003 [1,0,0,0,0,0|3,0,0]=4 29 B6R0.4 C[C@H](O)CCCBr A11305 [1,0,0,0,0,0|2,0,1]=4 30 B6R0.4 C[C@H](O)CCCN AT20756 [1,0,0,0,0,0|2,0,1]=4 31 B6R0.4 NC(=O)CCCO AT20755 [1,0,0,0,0,0|2,0,0]=3 32 B6R0.4 NCCCC(=O)O T70552 [1,0,0,0,0,0|1,0,0]=2 33 B6R0.4 NCCCC(N)=O AC5898 [1,0,0,0,0,0|2,0,0]=3 34 B6R0.4 NOCCC(=O)O AT14539 [1,0,0,0,0,0|2,0,0]=3 35 B6R0.4 O=C(Cl)OCCF AT25498 [1,0,0,0,0,0|3,0,0]=4 36 B6R0.4 O=[N+]([O-])CCCO A12344 [1,0,0,0,0,0|2,0,1]=4 37 B6R0.4 [2H][C@H](Br)CCCC D99408 [1,0,0,0,0,0|2,0,1]=4 38 B6R0.6 C#CCCCCN D76652 [1,0,0,0,0,0|2,0,1]=4 39 B6R0.6 C=CCCCC=C T72268 [1,0,0,0,0,0|1,0,2]=4 40 B6R0.6 C=CCSCCN AT25545 [1,0,0,0,0,0|3,0,0]=4 41 B6R0.6 CCNCCSC AT25567 [1,0,0,0,0,0|3,0,0]=4 42 B6R0.6 CCOCCNN AC6859 [1,0,0,0,0,0|3,0,0]=4 43 B6R0.6 CCOCCON AT14482 [1,0,0,0,0,0|3,0,0]=4 44 B6R0.6 CCO\C=C\C=O F18326 [1,0,0,0,0,0|1,0,2]=4 45 B6R0.6 CNCCCC#N AB10346 [1,0,0,0,0,0|2,0,1]=4 46 B6R0.6 CNCCCOC F15969 [1,0,0,0,0,0|3,0,0]=4 47 B6R0.6 COCCCC#N C77649 [1,0,0,0,0,0|2,0,1]=4 48 B6R0.6 COCCCCN C77605 [1,0,0,0,0,0|2,0,1]=4 49 B6R0.6 COCCCON AT14486 [1,0,0,0,0,0|3,0,0]=4 50 B6R0.6 COCCN=C=O D87777 [1,0,0,0,0,0|2,0,1]=4 51 B6R0.6 C\C=C/CCCCl T71143 [1,0,0,0,0,0|2,0,1]=4 52 B6R0.6 N#CCCCCN AC2033 [1,0,0,0,0,0|2,0,1]=4 53 B6R0.6 NCCSCCO AT25550 [1,0,0,0,0,0|2,0,1]=4 54 B6R0.6 O=CNCCCO AC9004 [1,0,0,0,0,0|2,0,0]=3 55 B6R0.6 OCCNCCO AB10274 [1,0,0,0,0,0|2,0,1]=4 56 B6R0.6 OCCOCCI C77657 [1,0,0,0,0,0|2,0,1]=4 57 B6R0.6 [2H]OCCCCC D99155 [1,0,0,0,0,0|2,0,0]=3 58 B8R0.5 C=CC[C@H](N)CC(=O)O 77811 [0,1,0,0,0,0|0,0,2]=3 59 B8R0.5 CCC[C@H](C)OC(C)=O 73904 [0,1,0,0,0,0|2,0,0]=3 60 B8R0.5 CCC[C@H](N)CC(=O)O N15479 [0,1,0,0,0,0|0,0,0]=1 61 B8R0.5 CCC[C@H](N)CC(=O)O N15480 [0,1,0,0,0,0|0,0,0]=1 62 B8R0.6 C#C[C@@H](O)CCCCC 51060 [0,1,0,0,0,0|1,0,1]=3 63 B8R0.6 C#C[C@@H](O)CCCCC T72294 [0,1,0,0,0,0|1,0,1]=3 64 B8R0.6 C=CC(=O)NCCCO C77634 [0,1,0,0,0,0|3,0,0]=4 65 B8R0.6 CNC(=O)OCCCN AT13711 [0,1,0,0,0,0|3,0,0]=4 66 B8R0.6 COC(=O)NCCCN AT13710 [0,1,0,0,0,0|2,0,0]=3 67 B8R0.6 N#C[C@@H](O)CCCCO AC4705 [0,1,0,0,0,0|2,0,1]=4 68 B8R0.7 CC(=O)NCCCCN S12336 [0,1,0,0,0,0|2,0,0]=3 69 B8R0.7 CCCCC#CC(=O)O T71801 [0,1,0,0,0,0|0,0,1]=2 70 B8R0.7 CCCCNCC(=O)O D87235 [0,1,0,0,0,0|0,0,0]=1 71 B8R0.7 CNCCCCN(C)C F51688 [0,1,0,0,0,0|3,0,0]=4 72 B8R0.7 CNCCCNC(C)=O C78307 [0,1,0,0,0,0|2,0,0]=3 73 B8R0.7 N=C(N)NCCCCN FD1295 [0,1,0,0,0,0|3,0,0]=4 74 B8R0.7 NC(=O)CCCCCO AC6170 [0,1,0,0,0,0|1,0,0]=2 75 B8R0.7 O=C(O)CCOCCBr C70446 [0,1,0,0,0,0|1,0,0]=2 76 B8R0.7 O=C(O)CCOCCO C70447 [0,1,0,0,0,0|1,0,0]=2 77 B8R0.7 O=CNCCCC(=O)O AB3831 [0,1,0,0,0,0|1,0,1]=3 78 B8R0.7 O=[N+]([O-])OCCCCO F10406 [0,1,0,0,0,0|2,0,1]=4 79 B8R0.7 [2H][C@H](Br)CCCCCC D99523 [0,1,0,0,0,0|2,0,1]=4 80 B8R0.7 [2H][C@H](O)CCCCCC D99646 [0,1,0,0,0,0|1,0,1]=3 81 B8R0.8 C=CCC[C@H](N)C(=O)O AT23573 [0,1,0,0,0,0|0,0,2]=3 82 B8R0.8 C=CCC[C@H](N)C(=O)O AT23574 [0,1,0,0,0,0|0,0,2]=3 83 B8R0.8 CC#CC[C@H](N)C(=O)O C15512 [0,1,0,0,0,0|0,0,2]=3 84 B8R0.8 CC(=O)N(C)CCCN C78500 [0,1,0,0,0,0|3,0,0]=4 85 B8R0.8 CCCC[C@H](C)C(C)C T70746 [0,1,0,0,0,0|2,0,1]=4 86 B8R0.8 CCCC[C@H](N)C(N)=O S11604 [0,1,0,0,0,0|1,0,0]=2 87 B8R0.8 CCOC[C@H](N)C(=O)O AT12801 [0,1,0,0,0,0|1,0,0]=2 88 B8R0.9 CC(=O)OC[C@@H](O)CO A10893 [0,1,0,0,0,0|3,0,0]=4 89 B8R0.9 CCC(C)CCC(C)N C14677 [0,1,0,0,0,0|2,0,1]=4 90 B8R0.9 CNC(=O)NCC(=O)O AT23077 [0,1,0,0,0,0|2,0,1]=4 91 B8R0.9 [15NH2]CC(=O)CCC(=O)O D98679 [0,1,0,0,0,0|1,0,1]=3 92 B8R0.21 CCCCNP(N)(N)=O 78606 [0,1,0,0,0,0|3,0,0]=4 93 B8R0.21 CCOCCS(N)(=O)=O AT20625 [0,1,0,0,0,0|2,0,1]=4 94 B8R0.21 COCCCS(=O)(=O)O AC6285 [0,1,0,0,0,0|2,0,0]=3 95 B8R0.21 COCCCS(N)(=O)=O AT20611 [0,1,0,0,0,0|2,0,1]=4 96 B8R0.21 CS(=O)(=O)CCCCN AT13641 [0,1,0,0,0,0|2,0,1]=4 97 B8R0.21 [2H]C([2H])(Br)CCCCC D99038 [0,1,0,0,0,0|2,0,1]=4 98 B8R0.21 [2H]C([2H])(O)CCCCC D99028 [0,1,0,0,0,0|1,0,1]=3 99 B8R0.28 C=C(C)CCCC(C)C T70747 [0,1,0,0,0,0|2,0,0]=3 100 B8R0.28 CC(=O)CCCC(C)=O AC9369 [0,1,0,0,0,0|1,0,1]=3 101 B8R0.28 CC(=O)CCCN(C)C AC6136 [0,1,0,0,0,0|2,0,0]=3 102 B8R0.28 CC(C)CCOC(=O)Cl AC2336 [0,1,0,0,0,0|2,0,0]=3 103 B8R0.28 CC(C)C\C=C\C(=O)O 81164 [0,1,0,0,0,0|0,0,2]=3 104 B8R0.28 CC(C)C\C=C\C(N)=O 81121 [0,1,0,0,0,0|1,0,2]=4 105 B8R0.28 CN(C)CCCC(=O)O A11102 [0,1,0,0,0,0|1,0,0]=2 106 B8R0.28 NC(=O)NCCC(=O)O A12540 [0,1,0,0,0,0|2,0,1]=4 107 B8R1.1 CC[C@@H]1CNC(=O)C1 P10810 [0,0,0,1,0,0|2,0,0]=3 108 B8R1.1 CC[C@H]1CCC(=O)C1 W18649 [0,0,0,1,0,0|1,0,0]=2 109 B8R1.1 CC[C@H]1CCC(=O)N1 D72846 [0,0,0,1,0,0|1,0,0]=2 110 B8R1.1 CC[C@H]1COC(=O)N1 W10319 [0,0,0,1,0,0|2,0,0]=3 111 B8R1.1 CN[C@@H]1COC(=O)C1 P12585 [0,0,0,1,0,0|3,0,0]=4 112 B8R1.1 NC[C@H]1CNC(=O)O1 P12528 [0,0,0,1,0,0|2,0,0]=3 113 B8R1.1 NC[C@H]1COC(=O)N1 P15383 [0,0,0,1,0,0|3,0,0]=4 114 B8R1.1 O=C1C=C[C@H](CO)O1 A51108 [0,0,0,1,0,0|1,0,2]=4 115 B8R1.1 O=C1CC[C@H](CBr)O1 C12574 [0,0,0,1,0,0|1,0,0]=2 116 B8R1.1 O=C1CC[C@H](CI)N1 AT14276 [0,0,0,1,0,0|2,0,0]=3 117 B8R1.1 O=C1CC[C@H](CO)C1 D97067 [0,0,0,1,0,0|2,0,0]=3 118 B8R1.1 O=C1C[C@H](CBr)CN1 AC8640 [0,0,0,1,0,0|3,0,0]=4 119 B8R1.4 CC1CCOS(=O)O1 A12529 [0,0,0,1,0,0|2,0,0]=3 120 B8R1.4 CC1CNC[C@H](C)O1 F18928 [0,0,0,1,0,0|2,0,1]=4 121 B8R1.4 CN1CCCC(=O)C1 C14007 [0,0,0,1,0,0|2,0,0]=3 122 B8R1.4 CN1CCC[C@H](O)C1 AC6069 [0,0,0,1,0,0|2,0,1]=4 123 B8R1.4 C[C@H]1CC(=O)CCN1 W10112 [0,0,0,1,0,0|2,0,0]=3 124 B8R1.4 C[C@H]1CCCC(=O)C1 90784 [0,0,0,1,0,0|1,0,0]=2 125 B8R1.4 C[C@H]1CCCC(=O)N1 90463 [0,0,0,1,0,0|1,0,0]=2 126 B8R1.4 C[C@H]1CCC[C@H](C)N1 P21143 [0,0,0,1,0,0|2,0,1]=4 127 B8R1.4 C[C@H]1CNCC(=O)N1 P13905 [0,0,0,1,0,0|2,0,0]=3 128 B8R1.4 C[C@H]1CNC[C@@H](C)O1 F18871 [0,0,0,1,0,0|2,0,1]=4 129 B8R1.4 C[C@H]1CNC[C@@H](O)C1 AT13824 [0,0,0,1,0,0|2,0,1]=4 130 B8R1.4 C[C@H]1CNC[C@H](C)O1 F18885 [0,0,0,1,0,0|2,0,1]=4 131 B8R1.4 C[C@H]1C[C@@H](O)CCN1 P12569 [0,0,0,1,0,0|2,0,1]=4 132 B8R1.4 N[C@@H]1COCC(=O)C1 F51972 [0,0,0,1,0,0|3,0,0]=4 133 B8R1.4 N[C@H]1CCC[C@H](O)C1 F11499 [0,0,0,1,0,0|2,0,1]=4 134 B8R1.4 N[C@H]1CCC[C@H](O)C1 P19975 [0,0,0,1,0,0|2,0,1]=4 135 B8R1.4 O=C1C=C(Cl)CCC1 D86029 [0,0,0,1,0,0|2,0,1]=4 136 B8R1.4 O=C1CCC[C@H](O)C1 P16037 [0,0,0,1,0,0|2,0,0]=3 137 B8R1.4 O=C1C[C@@H](F)CCN1 P19310 [0,0,0,1,0,0|3,0,0]=4 138 B8R1.6 CCCN1CC(O)C1 P19017 [0,0,0,1,0,0|2,0,1]=4 139 B8R1.7 CC(=O)C1=NCCC1 H10253 [0,0,0,1,0,0|2,0,1]=4 140 B8R1.7 CC(=O)[C@@H]1CCCN1 F13089 [0,0,0,1,0,0|2,0,0]=3 141 B8R1.7 CC(=O)[C@@H]1CCCO1 74204 [0,0,0,1,0,0|2,0,0]=3 142 B8R1.7 CC(=O)[C@H]1CCNC1 78818 [0,0,0,1,0,0|2,0,0]=3 143 B8R1.7 CC(C)C1CCCC1 T72412 [0,0,0,1,0,0|2,0,1]=4 144 B8R1.7 CC(O)C1CCNC1 72765 [0,0,0,1,0,0|2,0,1]=4 145 B8R1.7 CC(O)C1CCNC1 W10547 [0,0,0,1,0,0|2,0,1]=4 146 B8R1.7 CC(O)[C@@H]1CCCN1 AT26535 [0,0,0,1,0,0|2,0,1]=4 147 B8R1.7 C[C@H](N)C1CCCC1 79900 [0,0,0,1,0,0|2,0,1]=4 148 B8R1.7 C[C@H](N)C1CCCC1 79901 [0,0,0,1,0,0|2,0,1]=4 149 B8R1.7 N=C(N)C1CCCC1 71790 [0,0,0,1,0,0|2,0,0]=3 150 B8R1.7 NC(=O)[C@H]1CCNC1 P11232 [0,0,0,1,0,0|2,0,0]=3 151 B8R1.7 NC(=S)C1CCCC1 N13298 [0,0,0,1,0,0|1,1,0]=3 152 B8R1.7 NC(=S)[C@@H]1CCCO1 W10328 [0,0,0,1,0,0|2,1,0]=4 153 B8R1.7 O=C(Cl)[C@H]1CCOC1 A12769 [0,0,0,1,0,0|2,0,0]=3 154 B8R1.7 O=C(O)[C@@H]1C=CCN1 F10849 [0,0,0,1,0,0|1,0,2]=4 155 B8R1.7 O=C(O)[C@@H]1CCCS1 98590 [0,0,0,1,0,0|1,0,0]=2 156 B8R1.7 O=C(O)[C@@H]1CCCS1 98591 [0,0,0,1,0,0|1,0,0]=2 157 B8R1.7 O=C(O)[C@@H]1CCNO1 AT14856 [0,0,0,1,0,0|2,0,0]=3 158 B8R1.19 C[C@H]1CCOS1(=O)=O D76949 [0,0,0,1,0,0|2,0,1]=4 159 B8R1.22 C[C@H]1CCCCCN1 AT22104 [0,0,0,1,0,0|2,0,1]=4 160 B8R1.22 O[C@H]1CCCCNC1 73004 [0,0,0,1,0,0|2,0,1]=4 161 B8R1.22 O[C@H]1CCCOCC1 55130 [0,0,0,1,0,0|2,0,1]=4 162 B8R1.31 C[C@H]1NC[C@@H]1C(=O)O P18148 [0,0,0,1,0,0|1,0,0]=2 163 B8R1.34 CC(=O)C=C1CCC1 F20871 [0,0,0,1,0,0|1,0,2]=4 164 B8R1.34 CC(=O)NC1CNC1 33732 [0,0,0,1,0,0|3,0,0]=4 165 B8R1.34 CC(=O)SC1CNC1 P12390 [0,0,0,1,0,0|3,0,0]=4 166 B8R1.34 C[C@H](N)CC1CCC1 55436 [0,0,0,1,0,0|2,0,1]=4 167 B8R1.34 NC(=O)NC1CNC1 AT23009 [0,0,0,1,0,0|3,0,0]=4 168 B8R1.34 NC(=O)OC1CNC1 AT23010 [0,0,0,1,0,0|3,0,0]=4 169 B8R1.34 O=C(Cl)CC1CCC1 AT23645 [0,0,0,1,0,0|1,0,0]=2 170 B8R1.34 O=C(O)CC1CNC1 A50755 [0,0,0,1,0,0|1,0,0]=2 171 B8R1.34 O=C(O)CC1CNC1 P10897 [0,0,0,1,0,0|1,0,0]=2 172 B8R1.35 NC(=S)NCC1CC1 AT24985 [0,0,0,1,0,0|2,1,0]=4 173 B8R1.35 O=C(Cl)OCC1CC1 C77515 [0,0,0,1,0,0|2,0,0]=3 174 B8R1.36 CCCCC[C@H]1CO1 T72538 [0,0,0,1,0,0|1,0,1]=3 175 B8R1.43 CCC1CC1C(=O)O AT12378 [0,0,0,1,0,0|0,0,0]=1 176 B8R1.72 CC1(N)CCCCC1 W10115 [0,0,0,1,0,0|2,0,1]=4 177 B8R1.72 N=S1(=O)CCCCC1 AT11345 [0,0,0,1,0,0|2,0,0]=3 178 B8R1.72 N=S1(=O)CCNCC1 AT25289 [0,0,0,1,0,0|3,0,0]=4 179 B8R1.72 N=S1(=O)CCOCC1 AT25738 [0,0,0,1,0,0|3,0,0]=4 180 B5R0.1 C=C(C)CCC D91296 [2,0,0,0,0,0|2,0,0]=4 181 B5R0.1 CC(=O)CCBr D82681 [2,0,0,0,0,0|2,0,0]=4 182 B5R0.1 CNCC(C)=O 72642 [2,0,0,0,0,0|2,0,0]=4 183 B5R0.1 NCCC(=O)O T70551 [2,0,0,0,0,0|1,0,0]=3 184 B5R0.1 NCCC(N)=O AC6190 [2,0,0,0,0,0|2,0,0]=4 185 B5R0.1 NCC[P@H](=O)O S12399 [2,0,0,0,0,0|2,0,0]=4 186 B5R0.1 [2H]C(=O)OCC D98566 [2,0,0,0,0,0|2,0,0]=4 187 B5R0.2 CCCCNN AC6660 [2,0,0,0,0,0|2,0,0]=4 188 B5R0.2 CCCCNO AT14838 [2,0,0,0,0,0|1,0,0]=3 189 B5R0.2 CONCCO AT24903 [2,0,0,0,0,0|2,0,0]=4 190 B5R0.2 NCCCNO AT14843 [2,0,0,0,0,0|2,0,0]=4 191 B5R0.2 NNCCCO W10664 [2,0,0,0,0,0|2,0,0]=4 192 B5R0.2 NOCCCO P16653 [2,0,0,0,0,0|2,0,0]=4 193 B5R0.2 [2H]OCCCC D98922 [2,0,0,0,0,0|2,0,0]=4 194 B7R0.2 C=C(C)C[C@@H](C)CC T70395 [1,1,0,0,0,0|2,0,0]=4 195 B7R0.2 CC\C(C)=C/C(=O)O 64163 [1,1,0,0,0,0|0,0,2]=4 196 B7R0.2 C[C@H](CCl)CC(=O)Cl AC1923 [1,1,0,0,0,0|2,0,0]=4 197 B7R0.2 N[C@H](CO)CC(=O)O FD10277 [1,1,0,0,0,0|1,0,0]=3 198 B7R0.2 N[C@H](CO)CC(=O)O FD10309 [1,1,0,0,0,0|1,0,0]=3 199 B7R0.3 CCCC[C@H](N)CO D75114 [1,1,0,0,0,0|1,0,1]=4 200 B7R0.3 CCCC[C@H](N)CO H10583 [1,1,0,0,0,0|1,0,1]=4 201 B7R0.3 CCCNC(=O)CN C78397 [1,1,0,0,0,0|2,0,0]=4 202 B7R0.3 CNOCC(=O)OC AT14517 [1,1,0,0,0,0|2,0,0]=4 203 B7R0.3 COC(=N)CCCCl C76486 [1,1,0,0,0,0|2,0,0]=4 204 B7R0.3 COC(=O)CCCN 32601 [1,1,0,0,0,0|1,0,0]=3 205 B7R0.3 COC(=O)NCCN AT13709 [1,1,0,0,0,0|2,0,0]=4 206 B7R0.5 CC(=O)[C@@H](C)CCBr AC2947 [1,1,0,0,0,0|2,0,0]=4 207 B7R0.5 CCCC(=O)C(N)=O AC9508 [1,1,0,0,0,0|1,0,1]=4 208 B7R0.5 CCC[C@H](O)C(N)=O AC9726 [1,1,0,0,0,0|1,0,0]=3 209 B7R0.5 CNC[C@H](N)C(=O)O 88602 [1,1,0,0,0,0|1,0,0]=3 210 B7R0.5 C[Se]C[C@H](N)C(=O)O C16524 [1,1,0,0,0,0|1,0,0]=3 211 B7R0.5 NCC[C@H](F)C(=O)O F19724 [1,1,0,0,0,0|1,0,0]=3 212 B7R0.5 NCC[C@H](N)C(=O)O F10323 [1,1,0,0,0,0|1,0,0]=3 213 B7R0.6 C=C(Br)CCC(=O)O C11119 [1,1,0,0,0,0|0,0,2]=4 214 B7R0.6 CC(=S)NCC(=O)O D92690 [1,1,0,0,0,0|1,0,1]=4 215 B7R0.6 C[S+](C)CCC(=O)[O-] F16477 [1,1,0,0,0,0|1,0,1]=4 216 B7R0.1 C=CCCCCCCl I11994 [1,1,0,0,0,0|1,0,0]=3 217 B7R0.1 C=CCCCCCO F14745 [1,1,0,0,0,0|1,0,0]=3 218 B7R0.1 C=CC\C=C\CCC T72633 [1,1,0,0,0,0|1,0,1]=4 219 B7R0.1 CNCCCCCO AT11157 [1,1,0,0,0,0|0,0,1]=3 220 B7R0.1 CNCCCCCO AT11158 [1,1,0,0,0,0|0,0,1]=3 221 B7R0.1 COCCNCCO AT12488 [1,1,0,0,0,0|1,0,1]=4 222 B7R0.1 C\C=C/CCCCC T72919 [1,1,0,0,0,0|1,0,0]=3 223 B7R0.1 NCCSCCCO AT25557 [1,1,0,0,0,0|1,0,1]=4 224 B7R0.1 O=CCCCCCCl 24359 [1,1,0,0,0,0|0,0,0]=2 225 B7R0.1 OCCCCCCI AT14272 [1,1,0,0,0,0|0,0,1]=3 226 B7R0.1 OCCCNCCO FD7298 [1,1,0,0,0,0|1,0,1]=4 227 B7R0.7 CCC[C@H](N)CCO N15481 [1,1,0,0,0,0|0,0,1]=3 228 B7R0.7 CCC[C@H](N)CCO N15482 [1,1,0,0,0,0|0,0,1]=3 229 B7R0.7 CCS[C@@H](C)CC=O D86335 [1,1,0,0,0,0|1,0,0]=3 230 B9R0.4 CCCC[C@H](N)CC(=O)O N14199 [0,2,0,0,0,0|0,0,0]=2 231 B9R0.4 CCCC[C@H](N)CC(=O)O N14200 [0,2,0,0,0,0|0,0,0]=2 232 B9R0.6 CCC[C@H](N)C(O)C(=O)O 81432 [0,2,0,0,0,0|0,0,0]=2 233 B9R0.6 CCOC(=O)[C@@H](F)C(=O)O C91038 [0,2,0,0,0,0|1,0,1]=4 234 B9R0.34 CCC[C@H](N)CC(=O)OC N15477 [0,2,0,0,0,0|0,0,0]=2 235 B9R0.53 CC(C)C[C@H](N)CC(=O)O 52003 [0,2,0,0,0,0|0,0,0]=2 236 B9R0.58 CCNS(=O)(=O)CC(=O)O AT20627 [0,2,0,0,0,0|2,0,0]=4 237 B9R0.58 C[C@](O)(CCO)CC(=O)O AT21014 [0,2,0,0,0,0|1,0,0]=3 238 B9R0.1 CC[C@H](C)OCCC(C)=O T71083 [0,2,0,0,0,0|1,0,0]=3 239 B9R0.5 CCOC(=O)CCCNC AB10379 [0,2,0,0,0,0|1,0,0]=3 240 B9R0.5 CCOC(=O)CNCCN FD21627 [0,2,0,0,0,0|2,0,0]=4 241 B9R0.8 C=CCC[C@H](N)C(=O)OC AT15758 [0,2,0,0,0,0|0,0,2]=4 242 B9R0.24 COC(=O)CC[S@](=O)OC CS2994 [0,2,0,0,0,0|2,0,0]=4 243 B9R0.46 CCCCCC[C@H](O)CO C16570 [0,2,0,0,0,0|0,0,2]=4 244 B9R0.46 CCOCCNC(=O)CCl A50975 [0,2,0,0,0,0|2,0,0]=4 245 B9R0.46 COC(=O)COCCCO 56926 [0,2,0,0,0,0|1,0,0]=3 246 B9R0.46 COCCCCC(=O)OC AC9127 [0,2,0,0,0,0|0,0,0]=2 247 B9R0.46 OCCCCC[C@H](O)CO T72391 [0,2,0,0,0,0|0,0,2]=4 248 B9R0.47 CCCCCC(=O)C(=O)O A11260 [0,2,0,0,0,0|0,0,0]=2 249 B9R0.47 CCCCOC(=O)C(O)O F17058 [0,2,0,0,0,0|1,0,0]=3 250 B9R0.47 CCCCOC(=O)[C@H](C)N F52316 [0,2,0,0,0,0|2,0,0]=4 251 B9R0.47 NCCCC[C@H]([15NH2])C(=O)O D98677 [0,2,0,0,0,0|0,0,0]=2 252 B9R0.47 [N-]=[N+]=NCC[C@H](N)C(=O)O C70032 [0,2,0,0,0,0|2,0,0]=4 253 B9R0.2 CNCCCCCC(=O)O AT21580 [0,2,0,0,0,0|0,0,0]=2 254 B9R0.2 NCCCCCCC(N)=O AC7480 [0,2,0,0,0,0|1,0,0]=3 255 B9R0.2 [N-]=[N+]=NCCCCC(=O)O D88530 [0,2,0,0,0,0|1,0,0]=3 256 B9R0.38 CS(=O)(=O)CCCCCN AT13638 [0,2,0,0,0,0|1,0,1]=4 257 B9R0.55 O=C(O)CCCC[13C](=O)O D98793 [0,2,0,0,0,0|0,0,1]=3 258 B9R0.7 CC(C)=CC[C@H](N)C(=O)O A50387 [0,2,0,0,0,0|0,0,2]=4 259 B9R0.7 CC(C)=CC[C@H](N)C(=O)O A50388 [0,2,0,0,0,0|0,0,2]=4 260 B9R0.7 CC(C)=CC[C@H](N)C(=O)O A50389 [0,2,0,0,0,0|0,0,2]=4 261 B9R0.7 O=C(O)CC[C@H](O)C(=O)O FD21404 [0,2,0,0,0,0|1,0,1]=4 262 B9R0.7 [15NH2]C(=O)CC[C@H]([15NH2])C(=O)O 41401 [0,2,0,0,0,0|1,0,1]=4 263 B9R0.13 CCCC[C@@H](CO)C(=O)O 62404 [0,2,0,0,0,0|0,0,0]=2 264 B9R0.13 CCCC[C@H](NC)C(=O)O AT16731 [0,2,0,0,0,0|0,0,0]=2 265 B9R0.13 CCCC[C@H](NC)C(=O)O C15089 [0,2,0,0,0,0|0,0,0]=2 266 B9R0.13 CCCC[C@H](OC)C(=O)O AC6557 [0,2,0,0,0,0|0,0,0]=2 267 B9R0.42 COC(=O)C[C@H](C)C(=O)O FD10315 [0,2,0,0,0,0|1,0,1]=4 268 B9R0.42 COC(=O)C[C@H](O)C(=O)O AT10894 [0,2,0,0,0,0|1,0,1]=4 269 B9R0.51 CCCC[C@](C)(O)C(=O)O D86692 [0,2,0,0,0,0|0,0,0]=2 270 B9R0.51 [2H]C([2H])(CCCC)C(=O)O D97875 [0,2,0,0,0,0|0,0,0]=2 271 B9R0.51 [2H][C@](N)(CCSC)C(=O)O D97873 [0,2,0,0,0,0|1,0,0]=3 272 B9R0.43 CCN(CC)CCC(C)=O C15585 [0,2,0,0,0,0|2,0,0]=4 273 B9R0.64 CNS(=O)(=O)CCC(=O)O AT20613 [0,2,0,0,0,0|2,0,0]=4 274 B9R0.56 CS(=O)(=O)CCCC(=O)O AT13642 [0,2,0,0,0,0|1,0,0]=3 275 B9R0.56 O=C(O)CCCP(=O)(O)O T72478 [0,2,0,0,0,0|2,0,0]=4 276 B9R0.56 O=C(O)CSCC(F)(F)F AT25495 [0,2,0,0,0,0|2,0,0]=4 277 B9R0.56 [2H]C([2H])(C)CCCC(=O)O D98190 [0,2,0,0,0,0|0,0,0]=2 278 B9R0.56 [2H]C([2H])([2H])CCCC(=O)O D98976 [0,2,0,0,0,0|1,0,0]=3 279 B7R1.2 CN1CCC(=O)C1 64219 [1,0,0,1,0,0|2,0,0]=4 280 B7R1.2 C[C@@H]1CNC(=O)C1 P15842 [1,0,0,1,0,0|2,0,0]=4 281 B7R1.2 C[C@@H]1COC(=O)C1 AT23255 [1,0,0,1,0,0|2,0,0]=4 282 B7R1.2 C[C@H]1CNC(=O)O1 C13778 [1,0,0,1,0,0|1,0,0]=3 283 B7R1.2 C[C@H]1COC(=O)N1 C77658 [1,0,0,1,0,0|2,0,0]=4 284 B7R1.2 C[C@H]1NCC(=O)N1 F31285 [1,0,0,1,0,0|2,0,0]=4 285 B7R1.2 C[C@H]1NCC(=O)N1 F31286 [1,0,0,1,0,0|2,0,0]=4 286 B7R1.2 N[C@H]1CCC(=O)C1 C14417 [1,0,0,1,0,0|2,0,0]=4 287 B7R1.2 O=C1CC[C@H](F)C1 P11910 [1,0,0,1,0,0|2,0,0]=4 288 B7R1.3 ClC1=CCCCC1 FD10699 [1,0,0,1,0,0|2,0,0]=4 289 B7R1.3 S=C1CCCCC1 N16924 [1,0,0,1,0,0|1,1,0]=4 290 B7R1.10 CCC1CC(=O)C1 P12513 [1,0,0,1,0,0|1,0,0]=3 291 B7R1.10 NCC1CC(=O)C1 A12025 [1,0,0,1,0,0|2,0,0]=4 292 B7R1.12 NC(=O)[C@@H]1C[C@@H]1F CS3444 [1,0,0,1,0,0|2,0,0]=4 293 B7R1.12 NC(=O)[C@H]1C[C@@H]1F CS3447 [1,0,0,1,0,0|2,0,0]=4 294 B7R1.18 NC(=O)C1CNC1 E73179 [1,0,0,1,0,0|2,0,0]=4 295 B7R1.18 NC(=O)C1COC1 D86258 [1,0,0,1,0,0|2,0,0]=4 296 B7R1.18 NC(=S)C1CCC1 N12939 [1,0,0,1,0,0|1,1,0]=4 297 B7R1.20 CC(=O)CC1CC1 N12620 [1,0,0,1,0,0|1,0,0]=3 298 B7R1.1 CCC1CCCC1 T71889 [1,0,0,1,0,0|1,0,1]=4 299 B7R1.1 CC[C@H]1CCCN1 N12693 [1,0,0,1,0,0|1,0,1]=4 300 B7R1.1 NOC1CCCC1 97656 [1,0,0,1,0,0|2,0,0]=4 301 B7R1.1 OC[C@H]1CCCN1 11147 [1,0,0,1,0,0|1,0,1]=4 302 B7R1.1 ONC1CCCC1 33366 [1,0,0,1,0,0|1,0,0]=3 303 B7R1.1 ONC1CCCC1 33756 [1,0,0,1,0,0|1,0,0]=3 304 B7R1.4 CC1CNCC1O 72148 [1,0,0,1,0,0|1,0,1]=4 305 B7R1.4 CC1CNCC1O AT22587 [1,0,0,1,0,0|1,0,1]=4 306 B7R1.4 C[C@@H]1CCC[C@@H]1N 97379 [1,0,0,1,0,0|1,0,1]=4 307 B7R1.4 C[C@H]1CCNC1=O C74322 [1,0,0,1,0,0|1,0,0]=3 308 B7R1.4 C[C@H]1CNCC1=O F13737 [1,0,0,1,0,0|1,0,0]=3 309 B7R1.4 C[C@H]1COCC1=O AT13358 [1,0,0,1,0,0|1,0,0]=3 310 B7R1.4 N[C@@H]1CCC[C@@H]1O P12481 [1,0,0,1,0,0|1,0,1]=4 311 B7R1.4 N[C@H]1CCOC1=O S11138 [1,0,0,1,0,0|2,0,0]=4 312 B7R1.4 O=C1CCCC1=O AC2232 [1,0,0,1,0,0|1,0,1]=4 313 B7R1.4 O[C@H]1CCC[C@@H]1O W19719 [1,0,0,1,0,0|1,0,1]=4 314 B7R1.6 NNCC1CCC1 D87549 [1,0,0,1,0,0|2,0,0]=4 315 B7R1.6 OCC[C@H]1CCN1 D76473 [1,0,0,1,0,0|1,0,1]=4 316 B7R1.6 OCC[C@H]1CCN1 F50335 [1,0,0,1,0,0|1,0,1]=4 317 B7R1.8 N#C[C@H]1CCC1=O 98576 [1,0,0,1,0,0|1,0,1]=4 318 B7R1.8 OC[C@H]1CC[C@@H]1O D79582 [1,0,0,1,0,0|1,0,1]=4 319 B7R1.9 NC[C@@H]1C[C@@H]1CO AT20747 [1,0,0,1,0,0|1,0,1]=4 320 B7R1.9 OC[C@H]1C[C@@H]1CO AT12391 [1,0,0,1,0,0|1,0,1]=4 321 B7R1.24 C1=CCCNCC1 C13802 [1,0,0,1,0,0|2,0,0]=4 322 B7R1.24 C1CCCNCC1 D77224 [1,0,0,1,0,0|1,0,1]=4 323 B7R1.24 C1CCNNCC1 AB9014 [1,0,0,1,0,0|2,0,0]=4 324 B9R1.7 CCCC1=CC(=O)NO1 AC2645 [0,1,0,1,0,0|0,0,2]=4 325 B9R1.7 CNC[C@H]1CCC(=O)N1 AT13580 [0,1,0,1,0,0|1,0,0]=3 326 B9R1.7 N#CC[C@H]1CCC(=O)N1 AT10063 [0,1,0,1,0,0|1,0,1]=4 327 B9R1.7 N#CC[C@H]1CCC(=O)N1 AT13573 [0,1,0,1,0,0|1,0,1]=4 328 B9R1.7 N#CC[C@H]1CCC(=O)N1 AT14425 [0,1,0,1,0,0|1,0,1]=4 329 B9R1.7 O=C1CC[C@H](CCO)N1 AT10892 [0,1,0,1,0,0|1,0,0]=3 330 B9R1.13 CC(=O)C=C1CCCC1 F13249 [0,1,0,1,0,0|1,0,1]=4 331 B9R1.13 CC(=O)CC1CCCC1 N12760 [0,1,0,1,0,0|1,0,0]=3 332 B9R1.13 CC(=O)CN1CCCC1 F50500 [0,1,0,1,0,0|1,0,0]=3 333 B9R1.13 C[C@H](O)CN1CCCC1 AT24864 [0,1,0,1,0,0|1,0,1]=4 334 B9R1.13 C[C@H](O)CN1CCCC1 AT24866 [0,1,0,1,0,0|1,0,1]=4 335 B9R1.13 O=C(O)CC1SCCS1 AT15646 [0,1,0,1,0,0|1,0,0]=3 336 B9R1.13 O=C(O)C[C@H]1CCNC1 P11648 [0,1,0,1,0,0|0,0,0]=2 337 B9R1.13 OB(O)CC1CCCC1 A51283 [0,1,0,1,0,0|1,0,1]=4 338 B9R1.34 CC1CC(=O)CC(C)N1 F12422 [0,1,0,1,0,0|2,0,0]=4 339 B9R1.34 CC1CC(=O)CC(C)S1 89934 [0,1,0,1,0,0|2,0,0]=4 340 B9R1.34 CC1CC(O)CC(C)O1 AT13096 [0,1,0,1,0,0|1,0,1]=4 341 B9R1.34 C[C@H]1CC(=O)C[C@@H](C)N1 S11085 [0,1,0,1,0,0|2,0,0]=4 342 B9R1.34 C[C@H]1CC(=O)C[C@H](C)O1 P14538 [0,1,0,1,0,0|2,0,0]=4 343 B9R1.41 CC(=O)[C@@H]1CCCC1=O F17111 [0,1,0,1,0,0|1,0,1]=4 344 B9R1.41 C[C@@H]1OCC[C@@H]1C(=O)O W10213 [0,1,0,1,0,0|0,0,0]=2 345 B9R1.41 C[C@H]1CNC[C@@H]1C(=O)O AT17205 [0,1,0,1,0,0|0,0,0]=2 346 B9R1.41 NC(=O)[C@H]1NCC[C@@H]1O E71624 [0,1,0,1,0,0|2,0,0]=4 347 B9R1.41 NC(=O)[C@H]1NCC[C@@H]1O W15326 [0,1,0,1,0,0|2,0,0]=4 348 B9R1.41 N[C@H]1CCC[C@@H]1C(=O)O AT13997 [0,1,0,1,0,0|0,0,0]=2 349 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O AT13975 [0,1,0,1,0,0|0,0,0]=2 350 B9R1.41 O=C(O)[C@H]1NCC[C@@H]1F D97117 [0,1,0,1,0,0|1,0,0]=3 351 B9R1.41 O=C(O)[C@H]1NCC[C@@H]1O P14778 [0,1,0,1,0,0|1,0,0]=3 352 B9R1.41 O=C(O)[C@H]1NCC[C@@H]1O P16430 [0,1,0,1,0,0|1,0,0]=3 353 B9R1.41 O=C(O)[C@H]1NCC[C@H]1O P14685 [0,1,0,1,0,0|1,0,0]=3 354 B9R1.48 CN1CCCNC(=O)C1 AT20054 [0,1,0,1,0,0|2,0,0]=4 355 B9R1.53 CC(=O)N[C@H]1C[C@H](N)C1 W10919 [0,1,0,1,0,0|2,0,0]=4 356 B9R1.53 NC1CN(CC(=O)O)C1 AT21897 [0,1,0,1,0,0|1,0,0]=3 357 B9R1.53 O=C(O)C[C@H]1CC(=O)N1 AT19045 [0,1,0,1,0,0|1,0,1]=4 358 B9R1.66 CC1(C)CC(=O)CCS1 89936 [0,1,0,1,0,0|2,0,0]=4 359 B9R1.66 CC1(C)CCC[C@H](O)C1 F20634 [0,1,0,1,0,0|1,0,1]=4 360 B9R1.66 N[C@H]1CCCS(=O)(=O)C1 AT10979 [0,1,0,1,0,0|1,0,1]=4 361 B9R1.66 O=S1(=O)CCC[C@H](O)C1 AT13041 [0,1,0,1,0,0|1,0,1]=4 362 B9R1.171 C[C@H](O)CC1(N)CCC1 91971 [0,1,0,1,0,0|1,0,1]=4 363 B9R1.171 NC1(CC(=O)O)COC1 P13084 [0,1,0,1,0,0|1,0,0]=3 364 B9R1.1 CC[C@H]1CNC(=O)CO1 90060 [0,1,0,1,0,0|1,0,0]=3 365 B9R1.1 CNC1CCC(=O)CC1 AB9600 [0,1,0,1,0,0|2,0,0]=4 366 B9R1.1 NC[C@H]1CNC(=O)CO1 W10862 [0,1,0,1,0,0|2,0,0]=4 367 B9R1.1 O=C1CCC(CBr)CC1 C77512 [0,1,0,1,0,0|2,0,0]=4 368 B9R1.2 CC1CCCC(CO)N1 P11618 [0,1,0,1,0,0|1,0,1]=4 369 B9R1.2 CC[C@H]1CC(=O)CCN1 S10989 [0,1,0,1,0,0|1,0,0]=3 370 B9R1.2 CN[C@@H]1CCC[C@H](O)C1 H11103 [0,1,0,1,0,0|1,0,1]=4 371 B9R1.2 COC1=CC(=O)CCC1 63648 [0,1,0,1,0,0|1,0,1]=4 372 B9R1.5 CN1CCNCCC1=O AT20060 [0,1,0,1,0,0|2,0,0]=4 373 B9R1.5 C[C@@H]1OCCCNC1=O 73063 [0,1,0,1,0,0|2,0,0]=4 374 B9R1.5 N[C@H]1CCCCC[C@@H]1O AT10930 [0,1,0,1,0,0|1,0,1]=4 375 B9R1.5 N[C@H]1CSCCNC1=O C16734 [0,1,0,1,0,0|2,0,0]=4 376 B9R1.5 O=C1CCCCC[C@@H]1Br AT20921 [0,1,0,1,0,0|1,0,0]=3 377 B9R1.5 O=C1CCCCC[C@@H]1Cl T71318 [0,1,0,1,0,0|1,0,0]=3 378 B9R1.5 O=C1CCNCC[C@@H]1Br C90706 [0,1,0,1,0,0|2,0,0]=4 379 B9R1.5 O=C1NCCCC[C@@H]1Br F50955 [0,1,0,1,0,0|1,0,0]=3 380 B9R1.11 C#CC(=O)C1CCCC1 88682 [0,1,0,1,0,0|1,0,0]=3 381 B9R1.11 C=C[C@@H](O)C1CCCC1 F52271 [0,1,0,1,0,0|1,0,1]=4 382 B9R1.11 CCC(=O)C1CCCC1 F53464 [0,1,0,1,0,0|1,0,0]=3 383 B9R1.11 CNC(=O)[C@@H]1CCCN1 C78390 [0,1,0,1,0,0|2,0,0]=4 384 B9R1.11 CNC(=O)[C@@H]1CCCN1 C78509 [0,1,0,1,0,0|2,0,0]=4 385 B9R1.11 CNC(=O)[C@H]1CCNC1 AT18760 [0,1,0,1,0,0|2,0,0]=4 386 B9R1.11 CNC(=O)[C@H]1CCNC1 AT18761 [0,1,0,1,0,0|2,0,0]=4 387 B9R1.11 COC(=O)[C@@H]1CSCN1 D74074 [0,1,0,1,0,0|2,0,0]=4 388 B9R1.11 COC(=O)[C@H]1CCNC1 C15796 [0,1,0,1,0,0|1,0,0]=3 389 B9R1.11 NC[C@H](O)C1CCCC1 W15961 [0,1,0,1,0,0|1,0,1]=4 390 B9R1.11 N[C@@H](CO)C1CCCC1 N11290 [0,1,0,1,0,0|1,0,1]=4 391 B9R1.11 N[C@@H](CO)C1CCCC1 N11334 [0,1,0,1,0,0|1,0,1]=4 392 B9R1.11 O=C(CBr)N1CCCC1 T71443 [0,1,0,1,0,0|2,0,0]=4 393 B9R1.49 O=C1CCNC(=O)CC1 C91705 [0,1,0,1,0,0|1,0,1]=4 394 B9R1.79 CNC(=O)C[C@H]1CCN1 F50337 [0,1,0,1,0,0|2,0,0]=4 395 B9R1.79 COC(=O)NC1CNC1 AT23018 [0,1,0,1,0,0|2,0,0]=4 396 B9R1.79 NCC(=O)NC1CCC1 98117 [0,1,0,1,0,0|2,0,0]=4 397 B9R1.81 COC(=O)C1CCC1N P20420 [0,1,0,1,0,0|1,0,0]=3 398 B9R1.81 COC(=O)[C@H]1CC[C@@H]1N AT10518 [0,1,0,1,0,0|1,0,0]=3 399 B9R1.88 C#CC1CC1C(=O)OC 58313 [0,1,0,1,0,0|0,0,2]=4 400 B9R1.88 COC(=O)C1CC1C#N P14710 [0,1,0,1,0,0|1,0,1]=4 401 B9R1.88 COC(=O)C1CC1CO D73969 [0,1,0,1,0,0|1,0,0]=3 402 B9R1.88 COC(=O)[C@H]1C[C@@H]1C=O AT23980 [0,1,0,1,0,0|1,0,1]=4 403 B9R1.89 O=CC1CCCCCC1 AT13628 [0,1,0,1,0,0|1,0,1]=4 404 B9R1.118 NC1(CO)CCCCC1 AT12680 [0,1,0,1,0,0|1,0,1]=4 405 B9R1.118 NC1(CO)CCCCC1 AT12681 [0,1,0,1,0,0|1,0,1]=4 406 B9R1.118 NC1(CO)CCCCC1 D74962 [0,1,0,1,0,0|1,0,1]=4 407 B9R1.118 NCC1(O)CCCCC1 C78197 [0,1,0,1,0,0|1,0,1]=4 408 B9R1.118 OCC1(F)CCCCC1 26699 [0,1,0,1,0,0|1,0,1]=4 409 B9R1.6 CC(=O)[C@@H]1CCCCN1 F16683 [0,1,0,1,0,0|1,0,0]=3 410 B9R1.6 CC(=O)[C@H]1CCCNC1 P11325 [0,1,0,1,0,0|1,0,0]=3 411 B9R1.6 CC(=O)[C@H]1CCCOC1 AT13308 [0,1,0,1,0,0|1,0,0]=3 412 B9R1.6 C[C@H](O)C1CCCCC1 D77196 [0,1,0,1,0,0|1,0,1]=4 413 B9R1.6 NC(=O)N1CCNCC1 D76637 [0,1,0,1,0,0|2,0,0]=4 414 B9R1.6 NC(=O)N1CCOCC1 F14225 [0,1,0,1,0,0|2,0,0]=4 415 B9R1.6 NC(=O)[C@@H]1CCCCN1 CS3415 [0,1,0,1,0,0|1,0,0]=3 416 B9R1.6 NC(=O)[C@@H]1CNCCO1 W13722 [0,1,0,1,0,0|2,0,0]=4 417 B9R1.6 NC(=O)[C@@H]1COCCN1 F17613 [0,1,0,1,0,0|2,0,0]=4 418 B9R1.6 NC(=O)[C@@H]1COCCN1 F19100 [0,1,0,1,0,0|2,0,0]=4 419 B9R1.6 O=C(O)C1=CCCNC1 C10916 [0,1,0,1,0,0|0,0,2]=4 420 B9R1.6 O=C(O)C1=CCCNC1 F13202 [0,1,0,1,0,0|0,0,2]=4 421 B9R1.6 O=C(O)C1=CCCOC1 SC1721 [0,1,0,1,0,0|0,0,2]=4 422 B9R1.6 O=C(O)[C@@H]1CCCCS1 90959 [0,1,0,1,0,0|0,0,0]=2 423 B9R1.6 O=C(O)[C@@H]1CCCNN1 50467 [0,1,0,1,0,0|1,0,0]=3 424 B9R1.6 O=C(O)[C@@H]1CSCCN1 77694 [0,1,0,1,0,0|1,0,0]=3 425 B9R1.24 O=S1(=O)CCC[C@@H]1CO AT13048 [0,1,0,1,0,0|1,0,1]=4 426 B9R1.40 C[C@H]1CNCCS1(=O)=O AT10753 [0,1,0,1,0,0|1,0,1]=4 427 B9R1.40 C[C@H]1CNCCS1(=O)=O AT10754 [0,1,0,1,0,0|1,0,1]=4 428 B9R1.40 C[C@H]1CNCCS1(=O)=O D75214 [0,1,0,1,0,0|1,0,1]=4 429 B9R1.84 O=[N+]([O-])CCC1CCC1 FD10612 [0,1,0,1,0,0|1,0,1]=4 430 B9R1.85 O=C(O)CCNC1CC1 AC5323 [0,1,0,1,0,0|0,0,0]=2 431 B9R1.85 O=C(O)COCC1CC1 12497 [0,1,0,1,0,0|0,0,0]=2 432 B9R1.96 CC(=O)N1CC[C@@H]1CO P19109 [0,1,0,1,0,0|2,0,0]=4 433 B9R1.96 CCC1CN[C@@H]1C(=O)O P15219 [0,1,0,1,0,0|0,0,0]=2 434 B9R1.148 C[C@]1(O)CCCNCC1 P12010 [0,1,0,1,0,0|1,0,1]=4 435 B9R1.23 CN1C[C@H](CBr)OC1=O W13271 [0,1,0,1,0,0|2,0,0]=4 436 B9R1.23 CN1C[C@H](CBr)OC1=O W13272 [0,1,0,1,0,0|2,0,0]=4 437 B9R1.35 CC(=O)N1CC[C@H](N)C1 C72166 [0,1,0,1,0,0|2,0,0]=4 438 B9R1.35 CC(=O)[C@H]1CCC(=O)C1 F53665 [0,1,0,1,0,0|1,0,1]=4 439 B9R1.35 CC(C)[C@@H]1CC(=O)CN1 94320 [0,1,0,1,0,0|2,0,0]=4 440 B9R1.35 CN1CC[C@H](C(=O)O)C1 P14492 [0,1,0,1,0,0|1,0,0]=3 441 B9R1.35 C[C@H]1CC[C@@H](C(=O)O)N1 AT11433 [0,1,0,1,0,0|0,0,0]=2 442 B9R1.35 NC1CNC(C(=O)O)C1 F19644 [0,1,0,1,0,0|1,0,0]=3 443 B9R1.35 N[C@@H]1C=C[C@H](C(=O)O)C1 86111 [0,1,0,1,0,0|0,0,2]=4 444 B9R1.35 N[C@H]1CC[C@@H](C(=O)O)C1 AC1030 [0,1,0,1,0,0|0,0,0]=2 445 B9R1.35 N[C@H]1CC[C@@H](C(=O)O)C1 S11069 [0,1,0,1,0,0|0,0,0]=2 446 B9R1.35 N[C@H]1CN[C@H](C(=O)O)C1 C15010 [0,1,0,1,0,0|1,0,0]=3 447 B9R1.35 N[C@H]1CN[C@H](C(=O)O)C1 C74364 [0,1,0,1,0,0|1,0,0]=3 448 B9R1.35 O=C(O)C1CC(F)CN1 39473 [0,1,0,1,0,0|1,0,0]=3 449 B9R1.35 O=C(O)[C@@H]1C[C@@H](F)CN1 P13403 [0,1,0,1,0,0|1,0,0]=3 450 B9R1.35 O=C(O)[C@@H]1C[C@@H](F)CN1 P14546 [0,1,0,1,0,0|1,0,0]=3 451 B9R1.35 O=C(O)[C@@H]1C[C@H](F)CN1 P10236 [0,1,0,1,0,0|1,0,0]=3 452 B9R1.35 O=C(O)[C@@H]1C[C@H](S)CN1 P11252 [0,1,0,1,0,0|1,0,0]=3 453 B9R1.35 O=C1C[C@H](C(=O)O)CN1 P15832 [0,1,0,1,0,0|1,0,1]=4 454 B9R1.110 C[C@@H](C(=O)O)N1CCC1 AT24076 [0,1,0,1,0,0|1,0,0]=3 455 B9R1.110 N[C@H](C(=O)O)C1CCC1 F51887 [0,1,0,1,0,0|0,0,0]=2 456 B9R1.110 O=C(O)[C@@H](Br)C1CCC1 D79277 [0,1,0,1,0,0|0,0,0]=2 457 B9R1.163 CC1(C(=O)O)CSSC1 C15279 [0,1,0,1,0,0|2,0,0]=4 458 B9R1.163 C[C@]1(C(=O)O)CCNC1 D72045 [0,1,0,1,0,0|1,0,0]=3 459 B9R1.163 N[C@@]1(C(=O)O)CCNC1 F19622 [0,1,0,1,0,0|1,0,0]=3 460 B9R1.163 O=C(O)[C@]1(F)CCNC1 P12597 [0,1,0,1,0,0|1,0,0]=3 461 B9R1.163 O=C(O)[C@]1(O)CCNC1 32143 [0,1,0,1,0,0|1,0,0]=3 462 B9R1.163 O=C(O)[C@]1(O)CCOC1 F53622 [0,1,0,1,0,0|1,0,0]=3 463 B9R1.163 [2H][C@@]1(C(=O)O)CCCN1 D98940 [0,1,0,1,0,0|1,0,0]=3 464 B9R1.125 C[C@]1(CN)CCC(=O)N1 AT19164 [0,1,0,1,0,0|2,0,0]=4 465 B9R1.125 C[C@]1(CN)CCC(=O)N1 P12541 [0,1,0,1,0,0|2,0,0]=4 466 B9R1.125 C[C@]1(CO)CCC(=O)N1 P12670 [0,1,0,1,0,0|2,0,0]=4 467 B9R1.19 NS(=O)(=O)C1CCCC1 C77560 [0,1,0,1,0,0|1,0,1]=4 468 B9R1.19 O=S(=O)([O-])C1CCCC1 AC6957 [0,1,0,1,0,0|1,0,1]=4 469 B9R1.161 O=C(O)[C@H]1C[C@@H]1C(=O)O P18271 [0,1,0,1,0,0|1,0,1]=4 470 B9R1.161 O=C(O)[C@H]1C[C@@H]1C(F)F AT10668 [0,1,0,1,0,0|1,0,0]=3 471 B9R2.39 CC1=CC2CCC1C2 75573 [0,0,0,2,0,0|2,0,0]=4 472 B9R2.39 O=C1OC2CCC1C2 P17974 [0,0,0,2,0,0|0,0,0]=2 473 B9R2.7 O=C1N[C@H]2CCC[C@@H]12 F12974 [0,0,0,2,0,0|1,0,0]=3 474 B9R2.147 O=C(O)C1C2CC1C2 57468 [0,0,0,2,0,0|0,0,0]=2