0 B8R1.4 C=C1CCCC(=O)O1 D93802 [0,0,0,0,0,0|1,0,1]=2 1 B8R1.4 CC1=CC(=O)OCC1 D93039 [0,0,0,0,0,0|1,0,0]=1 2 B8R1.4 CC1=CC(=S)NC=C1 I11274 [0,0,0,0,0,0|1,1,2]=4 3 B8R1.4 CC1=CC(=S)NC=N1 C75430 [0,0,0,0,0,0|2,1,1]=4 4 B8R1.4 CC1=CN=NC(=O)C1 78530 [0,0,0,0,0,0|2,0,2]=4 5 B8R1.4 CC1=NC=CC(I)=C1 25628 [0,0,0,0,0,0|2,0,2]=4 6 B8R1.4 CN1CCCC(=O)C1 S10664 [0,0,0,0,0,0|1,0,1]=2 7 B8R1.4 CN1CCC[C@H](N)C1 37174 [0,0,0,0,0,0|2,0,2]=4 8 B8R1.4 CN1CCC[C@H](N)C1 37175 [0,0,0,0,0,0|2,0,2]=4 9 B8R1.4 CN1CCC[C@H](N)C1 F13528 [0,0,0,0,0,0|2,0,2]=4 10 B8R1.4 CN1CCC[C@H](N)C1 P12011 [0,0,0,0,0,0|2,0,2]=4 11 B8R1.4 C[C@@H]1CCC[C@H](N)C1 D84824 [0,0,0,0,0,0|1,0,3]=4 12 B8R1.4 C[C@H]1CC(=O)CCN1 37834 [0,0,0,0,0,0|1,0,2]=3 13 B8R1.4 C[C@H]1CC(=O)CCN1 37835 [0,0,0,0,0,0|1,0,2]=3 14 B8R1.4 C[C@H]1CC(=O)CCN1 37846 [0,0,0,0,0,0|1,0,2]=3 15 B8R1.4 C[C@H]1CC(=O)CCO1 P11761 [0,0,0,0,0,0|1,0,2]=3 16 B8R1.4 C[C@H]1CCNC(=O)C1 P11592 [0,0,0,0,0,0|1,0,2]=3 17 B8R1.4 C[C@H]1CCOC(=O)O1 W17381 [0,0,0,0,0,0|2,0,1]=3 18 B8R1.4 C[C@H]1CNCC(=O)N1 38273 [0,0,0,0,0,0|2,0,1]=3 19 B8R1.4 C[C@H]1CNCC(=O)N1 71648 [0,0,0,0,0,0|2,0,1]=3 20 B8R1.4 C[C@H]1CNCC(=O)N1 P10459 [0,0,0,0,0,0|2,0,1]=3 21 B8R1.4 NC1=CC(=O)COC1 P18321 [0,0,0,0,0,0|2,0,0]=2 22 B8R1.4 N[C@H]1CCCC(=O)C1 20374 [0,0,0,0,0,0|1,0,2]=3 23 B8R1.4 N[C@H]1CCNC(=O)C1 27397 [0,0,0,0,0,0|2,0,2]=4 24 B8R1.4 O=C1C=C(Br)NC=N1 F10443 [0,0,0,0,0,0|3,0,1]=4 25 B8R1.4 O=C1CNCC(=O)C1 91786 [0,0,0,0,0,0|2,0,1]=3 26 B8R1.4 O=C1COCC(=O)N1 AR2999 [0,0,0,0,0,0|3,0,0]=3 27 B8R1.4 O=C1C[C@@H](O)CCN1 68727 [0,0,0,0,0,0|2,0,2]=4 28 B8R1.4 O=C1C[C@@H](O)CCN1 68728 [0,0,0,0,0,0|2,0,2]=4 29 B8R1.4 O=C1[CH-]C(=O)COC1 I11592 [0,0,0,0,0,0|2,0,1]=3 30 B7R1.3 BrC1=CCCNC1 D97153 [1,0,0,0,0,0|2,0,1]=4 31 B7R1.3 BrC1=CCOCC1 C90119 [1,0,0,0,0,0|2,0,1]=4 32 B7R1.3 CC1=CCNCC1 A11257 [1,0,0,0,0,0|1,0,1]=3 33 B7R1.3 C[C@H]1CCCCN1 C73894 [1,0,0,0,0,0|1,0,2]=4 34 B7R1.3 C[C@H]1CCCNC1 36405 [1,0,0,0,0,0|1,0,2]=4 35 B7R1.3 FC1=CCNCC1 P20375 [1,0,0,0,0,0|2,0,1]=4 36 B7R1.3 N[C@@H]1C=CCCC1 D84435 [1,0,0,0,0,0|1,0,1]=3 37 B7R1.3 O=C1C=CCCN1 88830 [1,0,0,0,0,0|1,0,0]=2 38 B7R1.3 O=C1C=CCOC1 O10790 [1,0,0,0,0,0|1,0,0]=2 39 B7R1.3 O=C1C=CNN=C1 D87946 [1,0,0,0,0,0|2,0,1]=4 40 B7R1.3 O=C1CCCCS1 D95162 [1,0,0,0,0,0|1,0,1]=3 41 B7R1.3 O=C1CNCCO1 RB3226 [1,0,0,0,0,0|2,0,1]=4 42 B7R1.3 O=C1CSCCN1 23643 [1,0,0,0,0,0|2,0,1]=4 43 B7R1.3 O[C@@H]1C=CCNC1 S11183 [1,0,0,0,0,0|1,0,2]=4 44 B9R1.2 CCC1=CC(=O)CCC1 A10067 [0,1,0,0,0,0|0,0,0]=1 45 B9R1.2 CCC1=CC(=O)NC=N1 F13915 [0,1,0,0,0,0|2,0,1]=4 46 B9R1.2 CCC1=CC(=O)NN=C1 S11511 [0,1,0,0,0,0|2,0,1]=4 47 B9R1.2 CCN1CCNC(=O)C1 C76051 [0,1,0,0,0,0|2,0,1]=4 48 B9R1.2 CCN1CCNC(=O)C1 F52612 [0,1,0,0,0,0|2,0,1]=4 49 B9R1.2 CC[C@H]1CC(=O)CCO1 73975 [0,1,0,0,0,0|1,0,2]=4 50 B9R1.2 CC[C@H]1CNCC(=O)N1 D97274 [0,1,0,0,0,0|2,0,1]=4 51 B9R1.2 COC1=CC(=O)NC=C1 25837 [0,1,0,0,0,0|1,0,2]=4 52 B9R1.2 CSC1=NC(=O)CCN1 AC1460 [0,1,0,0,0,0|2,0,0]=3 53 B9R1.2 N#C[C@H]1CCCC(=O)C1 C73416 [0,1,0,0,0,0|0,0,3]=4 54 B9R1.2 NC[C@H]1CCNC(=O)C1 37084 [0,1,0,0,0,0|1,0,2]=4 55 B9R1.2 NC[C@H]1CCNC(=O)C1 72532 [0,1,0,0,0,0|1,0,2]=4 56 B9R1.2 O=C1C=C(CCl)C=CN1 AT18186 [0,1,0,0,0,0|1,0,2]=4 57 B9R1.2 O=C1C=C(CO)C=CN1 37365 [0,1,0,0,0,0|1,0,2]=4 58 B9R1.2 O=C1CCC[C@H](CO)C1 Y10198 [0,1,0,0,0,0|0,0,2]=3 59 B9R1.2 O=C1CCC[C@H](CO)N1 Y14667 [0,1,0,0,0,0|1,0,1]=3 60 B9R1.2 O=C1COC[C@H](CO)N1 O11304 [0,1,0,0,0,0|2,0,1]=4 61 B9R1.2 O=C1C[C@@H](CO)CCN1 37567 [0,1,0,0,0,0|1,0,2]=4 62 B9R1.3 CC1=C(I)C(=O)N=CN1 H10358 [0,1,0,0,0,0|2,0,1]=4 63 B9R1.3 CN1C(=O)CCCC1=O C74292 [0,1,0,0,0,0|2,0,0]=3 64 B9R1.3 CN1C(=O)CNCC1=O P12568 [0,1,0,0,0,0|3,0,0]=4 65 B9R1.3 CN1CCC[C@H](Br)C1=O AC1744 [0,1,0,0,0,0|2,0,1]=4 66 B9R1.3 CN1CCC[C@H](N)C1=O 20395 [0,1,0,0,0,0|2,0,1]=4 67 B9R1.3 CN1CCC[C@H](N)C1=O 38730 [0,1,0,0,0,0|2,0,1]=4 68 B9R1.3 O=C1CCCC(O)=C1Cl AC1563 [0,1,0,0,0,0|1,0,0]=2 69 B9R1.34 CC1=CC(=O)C=C(O)O1 O10801 [0,1,0,0,0,0|1,0,2]=4 70 B9R1.34 CC1CC(=O)CC(C)N1 32785 [0,1,0,0,0,0|1,0,2]=4 71 B9R1.34 C[C@H]1CC(=O)C[C@@H](C)O1 P14153 [0,1,0,0,0,0|1,0,2]=4 72 B9R1.34 NC1CC(=O)NC(=O)C1 P17113 [0,1,0,0,0,0|2,0,0]=3 73 B9R1.34 O=C1CC(=O)OC(=O)C1 C71213 [0,1,0,0,0,0|2,0,1]=4 74 B9R1.66 CC1(C)CCCC(=O)N1 W17371 [0,1,0,0,0,0|1,0,1]=3 75 B9R1.66 CC1(C)CNCC(=O)N1 C91375 [0,1,0,0,0,0|2,0,1]=4 76 B9R1.69 CC1=CC(=O)N=NC1=O F53166 [0,1,0,0,0,0|2,0,1]=4 77 B9R1.69 CC1=CC(=O)NN=C1C P11942 [0,1,0,0,0,0|2,0,1]=4 78 B9R1.69 CC1=CC(=O)NN=C1Cl 26451 [0,1,0,0,0,0|2,0,1]=4 79 B9R1.69 CC1CC(=O)CCC1O Y10041 [0,1,0,0,0,0|0,0,2]=3 80 B9R1.69 CC1CCC(C)C(=O)C1 T71472 [0,1,0,0,0,0|0,0,2]=3 81 B9R1.69 CN1CCC(=O)CC1=O P13026 [0,1,0,0,0,0|2,0,1]=4 82 B9R1.69 C[C@H]1CCC(=O)NC1=O W17200 [0,1,0,0,0,0|2,0,0]=3 83 B9R1.69 N[C@H]1CCC(=O)NC1=O AT11186 [0,1,0,0,0,0|2,0,0]=3 84 B7R0.2 CC(C)NC(=O)CBr A12824 [0,0,1,0,0,0|2,0,1]=4 85 B7R0.2 CC(C)NC(=O)CI A11046 [0,0,1,0,0,0|2,0,1]=4 86 B7R0.2 CC(C)OC(=O)CN FD21588 [0,0,1,0,0,0|2,0,1]=4 87 B7R0.2 CC[C@H](C)CC(=O)O 63986 [0,0,1,0,0,0|1,0,2]=4 88 B7R0.2 CC[C@H](C)CC(C)=O A11862 [0,0,1,0,0,0|0,0,2]=3 89 B7R0.2 CO\C(C)=C/C(C)=O D93418 [0,0,1,0,0,0|1,0,0]=2 90 B7R0.4 CC(=O)CCCCBr O11558 [0,0,1,0,0,0|1,0,2]=4 91 B7R0.4 CCCOCC(=O)O AC1647 [0,0,1,0,0,0|2,0,1]=4 92 B7R0.4 CCNCCC(N)=O AT24732 [0,0,1,0,0,0|2,0,1]=4 93 B7R0.4 CNCCCC(N)=O 21232 [0,0,1,0,0,0|2,0,0]=3 94 B7R0.4 COCCCC(=O)O 78063 [0,0,1,0,0,0|2,0,0]=3 95 B7R0.7 C=C=CC(=O)OCC T71774 [0,0,1,0,0,0|1,0,2]=4 96 B7R0.7 CCNC(=O)CCCl Y14703 [0,0,1,0,0,0|2,0,1]=4 97 B7R0.7 CCNC(=O)CNC A12930 [0,0,1,0,0,0|2,0,1]=4 98 B7R0.7 COCC(=O)COC 36699 [0,0,1,0,0,0|2,0,1]=4 99 B9R2.39 O=C1CC2CC1CN2 D84847 [0,0,0,1,0,0|1,0,2]=4 100 B9R2.39 O=C1NC2CCC1C2 W18193 [0,0,0,1,0,0|1,0,1]=3 101 B9R2.39 O=C1N[C@H]2CC[C@@H]1C2 86118 [0,0,0,1,0,0|1,0,1]=3 102 B9R2.39 O=C1N[C@H]2CC[C@@H]1C2 D96860 [0,0,0,1,0,0|1,0,1]=3 103 B9R2.39 O=C1O[C@@H]2CN[C@H]1C2 I11656 [0,0,0,1,0,0|2,0,1]=4 104 B9R2.109 O=C1CCCC2CC12 P10813 [0,0,0,1,0,0|0,0,2]=3 105 B7R1.2 C=C1CCC(=O)O1 T71516 [0,0,0,0,1,0|1,0,1]=3 106 B7R1.2 CC1=CC(=O)CO1 Y10351 [0,0,0,0,1,0|1,0,0]=2 107 B7R1.2 CC1=CNC(=O)N1 O11257 [0,0,0,0,1,0|2,0,1]=4 108 B7R1.2 CC1=CNC(=O)S1 C90545 [0,0,0,0,1,0|2,0,1]=4 109 B7R1.2 CC1=CSC(Br)=C1 C15930 [0,0,0,0,1,0|2,0,1]=4 110 B7R1.2 CC1=CSC(C)=C1 O10605 [0,0,0,0,1,0|2,0,1]=4 111 B7R1.2 CC1=NC(=O)NN1 79696 [0,0,0,0,1,0|3,0,0]=4 112 B7R1.2 CN1CCC(=O)C1 64220 [0,0,0,0,1,0|1,0,1]=3 113 B7R1.2 C[C@@H]1CNC(=O)C1 P17327 [0,0,0,0,1,0|1,0,2]=4 114 B7R1.2 C[C@H]1CCC(=O)N1 P20894 [0,0,0,0,1,0|1,0,1]=3 115 B7R1.2 C[C@H]1CCC(=O)N1 P20895 [0,0,0,0,1,0|1,0,1]=3 116 B7R1.2 C[C@H]1CNC(=O)O1 90054 [0,0,0,0,1,0|2,0,1]=4 117 B7R1.2 C[C@H]1COC(=O)N1 O10180 [0,0,0,0,1,0|2,0,1]=4 118 B7R1.2 C[C@H]1COC(=O)N1 W17357 [0,0,0,0,1,0|2,0,1]=4 119 B7R1.2 C[C@H]1COC(=O)O1 D77722 [0,0,0,0,1,0|2,0,1]=4 120 B7R1.2 NC1=CC(=O)CC1 90005 [0,0,0,0,1,0|1,0,0]=2 121 B7R1.2 NC1=CC(=O)NO1 D73552 [0,0,0,0,1,0|3,0,0]=4 122 B7R1.2 NC1=NC(=O)CO1 C73385 [0,0,0,0,1,0|3,0,0]=4 123 B7R1.2 O=C1C=C(Br)CC1 W19329 [0,0,0,0,1,0|1,0,0]=2 124 B7R1.2 O=C1C=C(Br)CO1 W10959 [0,0,0,0,1,0|2,0,0]=3 125 B7R1.2 O=C1C=C(I)CC1 A12694 [0,0,0,0,1,0|1,0,0]=2 126 B7R1.2 O=C1C=C(O)CO1 F21287 [0,0,0,0,1,0|2,0,0]=3 127 B7R1.2 O=C1CC[C@H](O)C1 P13127 [0,0,0,0,1,0|1,0,2]=4 128 B7R1.2 O=C1CNC(=O)C1 76756 [0,0,0,0,1,0|2,0,1]=4 129 B7R1.2 O=C1COC(=O)N1 F20602 [0,0,0,0,1,0|3,0,0]=4 130 B7R1.4 BrC1=C(Br)CCC1 79351 [0,0,0,0,1,0|2,0,0]=3 131 B7R1.4 CC1=CCOC1=O T72100 [0,0,0,0,1,0|1,0,1]=3 132 B7R1.4 CN1CCN=C1N W16176 [0,0,0,0,1,0|3,0,0]=4 133 B7R1.4 CN1CCNC1=O 81682 [0,0,0,0,1,0|2,0,0]=3 134 B7R1.4 C[C@@H]1CCC[C@@H]1N 72991 [0,0,0,0,1,0|1,0,2]=4 135 B7R1.4 C[C@@H]1CCC[C@@H]1O 72407 [0,0,0,0,1,0|0,0,3]=4 136 B7R1.4 C[C@H]1CCC[C@@H]1O 71002 [0,0,0,0,1,0|0,0,3]=4 137 B7R1.4 NN1CCOC1=O S10190 [0,0,0,0,1,0|3,0,0]=4 138 B7R1.4 N[C@H]1CCNC1=O 51276 [0,0,0,0,1,0|2,0,1]=4 139 B7R1.4 N[C@H]1CCNC1=O 51277 [0,0,0,0,1,0|2,0,1]=4 140 B7R1.4 N[C@H]1CCNC1=O 51278 [0,0,0,0,1,0|2,0,1]=4 141 B7R1.4 N[C@H]1CCNC1=O F14678 [0,0,0,0,1,0|2,0,1]=4 142 B7R1.4 N[C@H]1CCSC1=O O10218 [0,0,0,0,1,0|2,0,1]=4 143 B7R1.4 O=C1NCC[C@@H]1Br 78555 [0,0,0,0,1,0|2,0,1]=4 144 B7R1.4 O=C1OCC[C@@H]1O F14291 [0,0,0,0,1,0|2,0,1]=4 145 B9R1.48 C[C@H]1CC(=O)NCCN1 38322 [0,0,0,0,0,1|1,0,2]=4 146 B9R1.48 C[C@H]1CCCCC(=O)N1 W19298 [0,0,0,0,0,1|1,0,1]=3 147 B9R1.48 O=C1CCCNC(=O)C1 F12567 [0,0,0,0,0,1|1,0,1]=3 148 B9R1.49 CN1CCNC(=O)CC1 Y10078 [0,0,0,0,0,1|2,0,1]=4 149 B9R1.49 O=C1CCC[C@H](O)CN1 N10631 [0,0,0,0,0,1|1,0,2]=4 150 B6R0.1 CNC(=O)CCN C75423 [1,0,1,0,0,0|2,0,0]=4 151 B6R0.1 CNC(=O)CCO AC6610 [1,0,1,0,0,0|2,0,0]=4 152 B6R0.1 CNC(=O)CCS A11187 [1,0,1,0,0,0|2,0,0]=4 153 B6R0.1 COC(=O)\C=C\I C10406 [1,0,1,0,0,0|2,0,0]=4 154 B6R0.2 CC(=O)\C=C(\C)[O-] F16607 [1,0,1,0,0,0|1,0,0]=3 155 B6R0.2 CC(=O)\C=C(\C)[O-] T70322 [1,0,1,0,0,0|1,0,0]=3 156 B6R0.2 CC(=O)\C=C(\C)[O-] T71766 [1,0,1,0,0,0|1,0,0]=3 157 B6R0.2 CC(=O)\C=C(\C)[O-] T71857 [1,0,1,0,0,0|1,0,0]=3 158 B6R0.4 C=C(C)CCCBr 71968 [1,0,1,0,0,0|1,0,0]=3 159 B6R0.4 C=CCCC(=O)Cl F16765 [1,0,1,0,0,0|1,0,1]=4 160 B6R0.4 CC(=O)CCC=O P17049 [1,0,1,0,0,0|1,0,0]=3 161 B6R0.4 CC(=O)CCCBr 25631 [1,0,1,0,0,0|1,0,1]=4 162 B6R0.4 CC(C)CCC=O 31143 [1,0,1,0,0,0|0,0,2]=4 163 B6R0.4 CCOCC(=O)O D73862 [1,0,1,0,0,0|2,0,0]=4 164 B6R0.4 COC=CC(=O)O D97266 [1,0,1,0,0,0|2,0,0]=4 165 B6R0.4 NCCCC(N)=O C72206 [1,0,1,0,0,0|2,0,0]=4 166 B6R0.4 O=C(O)\C=C\CCl 11303 [1,0,1,0,0,0|2,0,0]=4 167 B6R0.6 CC\C=C/CCI 98107 [1,0,1,0,0,0|1,0,1]=4 168 B8R0.2 COC(=O)C(=O)C(C)C 30685 [0,1,1,0,0,0|1,0,1]=4 169 B8R0.5 CCCC(=O)CC(C)=O 79568 [0,1,1,0,0,0|1,0,1]=4 170 B8R0.5 CCC[C@H](C)CC(C)=O D93522 [0,1,1,0,0,0|0,0,2]=4 171 B8R0.5 CCC\C(C)=C\C(=O)O A11778 [0,1,1,0,0,0|1,0,0]=3 172 B8R0.5 COCC(=O)OC(C)C C11794 [0,1,1,0,0,0|1,0,1]=4 173 B8R0.6 CCCCCC(=O)CBr C73149 [0,1,1,0,0,0|0,0,2]=4 174 B8R0.7 COCCNCC(=O)O W16095 [0,1,1,0,0,0|2,0,0]=4 175 B8R0.7 NCCCCCC(=O)O P19609 [0,1,1,0,0,0|1,0,1]=4 176 B8R0.7 NCCCCCC(N)=O AC6029 [0,1,1,0,0,0|1,0,1]=4 177 B8R0.7 O=C([O-])CCCCCO Y14708 [0,1,1,0,0,0|1,0,1]=4 178 B8R0.8 C=CCC[C@H](N)C(=O)O F12088 [0,1,1,0,0,0|1,0,1]=4 179 B8R0.8 C=CCC[C@H](N)C(=O)O F15989 [0,1,1,0,0,0|1,0,1]=4 180 B8R0.8 CCCC[C@H](N)C(N)=O C77276 [0,1,1,0,0,0|1,0,1]=4 181 B8R0.8 CCCC[C@H](O)C(=O)O C11377 [0,1,1,0,0,0|1,0,1]=4 182 B8R0.8 C[Se]CC[C@H](N)C(=O)O F20529 [0,1,1,0,0,0|2,0,0]=4 183 B8R0.9 CC[C@H](Cl)CCC(=O)Cl AC1939 [0,1,1,0,0,0|1,0,1]=4 184 B8R0.28 CC(=O)OCCC(=O)O C77559 [0,1,1,0,0,0|2,0,0]=4 185 B8R0.28 CC(C)=CCCC(=O)O F16793 [0,1,1,0,0,0|0,0,2]=4 186 B8R0.28 NC(=O)CCCC(N)=O F14537 [0,1,1,0,0,0|2,0,0]=4 187 B8R0.1 CCCC(=O)OCCO D81566 [0,1,1,0,0,0|1,0,1]=4 188 B8R0.1 CCOC(=O)CCCO C91677 [0,1,1,0,0,0|1,0,1]=4 189 B8R0.3 CCCC(=O)C(=O)OC T72754 [0,1,1,0,0,0|1,0,0]=3 190 B8R0.3 CCOC(=O)[C@@H](O)CC T72564 [0,1,1,0,0,0|1,0,1]=4 191 B8R1.2 BrCC1=CCCCC1 37274 [1,1,0,0,0,0|0,0,1]=3 192 B8R1.2 COC1=NCCCC1 D87703 [1,1,0,0,0,0|1,0,1]=4 193 B8R1.3 C[C@@H]1C=CC(=O)CC1 P17313 [1,1,0,0,0,0|0,0,0]=2 194 B8R1.3 C[C@H]1CCC(=O)NC1 P11593 [1,1,0,0,0,0|1,0,1]=4 195 B8R1.3 N[C@H]1CCC(=O)NC1 37582 [1,1,0,0,0,0|1,0,1]=4 196 B8R1.3 N[C@H]1CCC(=O)NC1 D95207 [1,1,0,0,0,0|1,0,1]=4 197 B8R1.3 N[C@H]1CCC(=O)NC1 P10248 [1,1,0,0,0,0|1,0,1]=4 198 B8R1.3 O=C1C=C[C@@H](O)OC1 SC1227 [1,1,0,0,0,0|1,0,0]=3 199 B8R1.3 O=C1CCC(F)CC1 23163 [1,1,0,0,0,0|0,0,2]=4 200 B8R1.3 O=C1CC[C@H](F)CN1 P20230 [1,1,0,0,0,0|1,0,1]=4 201 B8R1.3 O=C1CC[C@H](O)CN1 62219 [1,1,0,0,0,0|1,0,1]=4 202 B8R1.3 O=C1CC[C@H](O)CO1 F13840 [1,1,0,0,0,0|1,0,1]=4 203 B8R1.5 CC1=NCCN=C1C N13379 [1,1,0,0,0,0|2,0,0]=4 204 B8R1.5 C[C@H]1CCCCC1=O D77719 [1,1,0,0,0,0|0,0,2]=4 205 B8R1.5 C[C@H]1CCCOC1=O AB4082 [1,1,0,0,0,0|1,0,1]=4 206 B8R1.5 NN1CCCCC1=O C74639 [1,1,0,0,0,0|1,0,1]=4 207 B8R1.5 N[C@H]1CCCCC1=O C16242 [1,1,0,0,0,0|0,0,2]=4 208 B8R1.5 N[C@H]1CCCNC1=O 11355 [1,1,0,0,0,0|1,0,1]=4 209 B8R1.5 N[C@H]1CCCNC1=O 51546 [1,1,0,0,0,0|1,0,1]=4 210 B8R1.5 O=C1NCCC[C@@H]1Br F30215 [1,1,0,0,0,0|1,0,1]=4 211 B8R1.5 O=C1NCCC[C@@H]1O 27231 [1,1,0,0,0,0|1,0,1]=4 212 B8R1.5 O=C1OCCC[C@@H]1O 27422 [1,1,0,0,0,0|1,0,1]=4 213 B8R1.1 CC1=CC(C=O)=CS1 P15425 [0,1,0,0,1,0|1,0,1]=4 214 B8R1.1 CC1=CNC(C=O)=C1 D84258 [0,1,0,0,1,0|1,0,1]=4 215 B8R1.1 COC1=CC(=O)CC1 63697 [0,1,0,0,1,0|0,0,0]=2 216 B8R1.1 NC[C@H]1CCC(=O)N1 D76501 [0,1,0,0,1,0|1,0,1]=4 217 B8R1.1 NC[C@H]1CCC(=O)N1 P10403 [0,1,0,0,1,0|1,0,1]=4 218 B8R1.1 NC[C@H]1CCC(=O)N1 P15844 [0,1,0,0,1,0|1,0,1]=4 219 B8R1.1 NC[C@H]1CCC(=O)N1 P18547 [0,1,0,0,1,0|1,0,1]=4 220 B8R1.1 NC[C@H]1CCC(=O)N1 P19760 [0,1,0,0,1,0|1,0,1]=4 221 B8R1.1 O=C1CC[C@H](CI)O1 AB22632 [0,1,0,0,1,0|1,0,1]=4 222 B8R1.1 O=C1CC[C@H](CO)C1 D79584 [0,1,0,0,1,0|0,0,2]=4 223 B8R1.1 O=C1CC[C@H](CO)O1 80970 [0,1,0,0,1,0|1,0,1]=4 224 B8R1.18 CC1=CC(=O)C[C@@H]1C C74561 [0,1,0,0,1,0|0,0,0]=2 225 B8R1.18 C[C@@H]1NC(=O)C[C@@H]1O C90245 [0,1,0,0,1,0|1,0,1]=4 226 B8R1.18 N[C@H]1CC(=O)OC1=O 51906 [0,1,0,0,1,0|2,0,0]=4 227 B8R1.18 N[C@H]1CC(=O)OC1=O 51907 [0,1,0,0,1,0|2,0,0]=4 228 B8R1.18 O=C1C=C(Cl)[C@@H](O)O1 C75058 [0,1,0,0,1,0|2,0,0]=4 229 B8R1.50 CC1=C(Br)C(=O)NN1 C77007 [0,1,0,0,1,0|2,0,0]=4 230 B8R1.50 CC1=C(Br)COC1=O W19136 [0,1,0,0,1,0|2,0,0]=4 231 B8R1.50 CN1C(=O)CCC1=O D70368 [0,1,0,0,1,0|2,0,0]=4 232 B8R1.50 NN1C(=O)CCC1=O T70071 [0,1,0,0,1,0|2,0,0]=4 233 B8R1.51 CC1(C)CCC(=O)C1 55299 [0,1,0,0,1,0|0,0,2]=4 234 B8R1.51 CC1(C)CCC(=O)N1 30720 [0,1,0,0,1,0|1,0,1]=4 235 B8R1.51 CC1(C)CCC(=O)O1 48435 [0,1,0,0,1,0|1,0,1]=4 236 B8R1.11 NC[C@H]1CCCC1=O 33703 [0,1,0,0,1,0|0,0,1]=3 237 B8R1.11 O=C1CCC=C1CO E70389 [0,1,0,0,1,0|0,0,1]=3 238 B8R1.11 O=C1CCC[C@@H]1CO C73905 [0,1,0,0,1,0|0,0,1]=3 239 B8R1.11 O=C1NCC[C@@H]1CO P12214 [0,1,0,0,1,0|1,0,1]=4 240 B8R1.19 CC1(C)CCNC1=O 79628 [0,1,0,0,1,0|1,0,1]=4 241 B8R1.19 CC1(C)OCCC1=O P18857 [0,1,0,0,1,0|1,0,1]=4 242 B10R1.113 CC(=O)N1CCCC(=O)C1 F13225 [0,2,0,0,0,0|1,0,1]=4 243 B10R1.114 CC1(C)C(=O)CCCC1=O P11759 [0,2,0,0,0,0|1,0,1]=4 244 B10R1.245 N#CC1C(=O)CCCC1=O W17903 [0,2,0,0,0,0|1,0,1]=4 245 B10R1.63 CC1(C)CCC(=O)NC1=O AB22481 [0,2,0,0,0,0|2,0,0]=4 246 B10R1.63 C[C@]1(N)CCC(=O)NC1=O W11228 [0,2,0,0,0,0|2,0,0]=4 247 B8R1.34 CC(=O)CC1CCC1 D79207 [0,0,1,1,0,0|0,0,2]=4 248 B8R1.6 CCCC1CC(=O)C1 D96728 [0,0,1,1,0,0|0,0,2]=4 249 B8R1.7 CC(=O)[C@H]1CCOC1 79964 [0,0,1,1,0,0|1,0,1]=4 250 B8R1.7 NC(=O)[C@H]1CCNC1 31795 [0,0,1,1,0,0|2,0,0]=4 251 B8R1.7 NC(=O)[C@H]1CCNC1 37190 [0,0,1,1,0,0|2,0,0]=4 252 B8R1.7 NC(=O)[C@H]1CCOC1 39026 [0,0,1,1,0,0|2,0,0]=4 253 B8R1.7 O=C(O)[C@H]1CCNC1 65432 [0,0,1,1,0,0|2,0,0]=4 254 B8R1.7 O=C(O)[C@H]1CCNC1 P10866 [0,0,1,1,0,0|2,0,0]=4 255 B8R1.7 O=C(O)[C@H]1CCOC1 59930 [0,0,1,1,0,0|2,0,0]=4 256 B8R1.7 O=C(O)[C@H]1CCOC1 66517 [0,0,1,1,0,0|2,0,0]=4 257 B8R1.22 O=C1CCCCCN1 D94502 [0,0,1,1,0,0|1,0,1]=4 258 B8R1.22 O=C1CCCOCC1 P12770 [0,0,1,1,0,0|1,0,1]=4 259 B8R1.8 CCCC1=NNC=C1 C16284 [0,0,1,1,0,0|2,0,0]=4 260 B8R1.8 N#CC=C1CCCC1 20860 [0,0,1,1,0,0|1,0,1]=4 261 B8R1.8 O=CCC1CCCC1 F11683 [0,0,1,1,0,0|0,0,2]=4 262 B8R1.37 CCCC(=O)C1CC1 P18081 [0,0,1,1,0,0|0,0,2]=4 263 B8R2.18 O=C1CC2CC2C1 W10830 [1,0,0,1,0,0|0,0,2]=4 264 B8R2.34 C1=C[C@@H]2CN[C@H]1C2 P10331 [1,0,0,1,0,0|1,0,1]=4 265 B8R2.38 O=C1CCC2CC12 P19135 [1,0,0,1,0,0|0,0,2]=4 266 B8R2.38 O=C1CCC2OC12 60057 [1,0,0,1,0,0|1,0,1]=4 267 B10R2.42 O=C1NC(=O)C2CCC12 D72910 [0,0,0,1,0,1|2,0,0]=4 268 B10R2.42 O=C1OC(=O)C2CCC12 59945 [0,0,0,1,0,1|2,0,0]=4 269 B10R2.71 O=C1CC2CCC(C1)C2 37889 [0,0,0,1,0,1|0,0,2]=4 270 B10R2.62 O=C1CC2CCC1CC2 91055 [0,1,0,1,0,0|0,0,2]=4 271 B10R2.62 O=C1CC2CCC1CN2 P14923 [0,1,0,1,0,0|0,0,2]=4 272 B10R2.62 O=C1NC2CCC1CC2 38593 [0,1,0,1,0,0|1,0,1]=4 273 B10R2.534 O=C1CCCC2(CC2)N1 82072 [0,1,0,1,0,0|1,0,1]=4 274 B6R0.3 CC(C)C(=O)CCl D94573 [0,0,1,0,1,0|1,0,1]=4 275 B6R0.3 CCN(C)C(C)=O F19909 [0,0,1,0,1,0|1,0,0]=3 276 B6R0.3 CC[C@H](C)C(=O)O 88659 [0,0,1,0,1,0|1,0,1]=4 277 B6R0.3 CN(C)C(=O)CN FD21613 [0,0,1,0,1,0|2,0,0]=4 278 B6R0.3 COC(=O)N(C)C D93880 [0,0,1,0,1,0|2,0,0]=4 279 B6R1.2 CC1=CC=CN1 23756 [1,0,0,0,1,0|1,0,1]=4 280 B6R1.2 CC1=CNC=C1 59365 [1,0,0,0,1,0|1,0,1]=4 281 B6R1.2 CC1=COC=C1 W18310 [1,0,0,0,1,0|1,0,1]=4 282 B6R1.2 CC1=NOC=C1 35767 [1,0,0,0,1,0|2,0,0]=4 283 B6R1.2 IC1=COCC1 P19286 [1,0,0,0,1,0|2,0,0]=4 284 B6R1.2 O=C1C=CCN1 AC1277 [1,0,0,0,1,0|1,0,0]=3 285 B6R1.2 O=C1CNCN1 25530 [1,0,0,0,1,0|2,0,0]=4 286 B6R1.4 C[C@@H]1OCC1=O P16003 [0,0,0,0,2,0|1,0,1]=4 287 B6R1.4 C[C@H]1CCC1=O W18267 [0,0,0,0,2,0|0,0,1]=3 288 B6R1.4 C[C@H]1CNC1=O P20594 [0,0,0,0,2,0|1,0,1]=4 289 B6R1.4 O=C1CC[C@@H]1Br P18435 [0,0,0,0,2,0|1,0,1]=4 290 B6R1.5 CC1CC(=O)C1 P12177 [0,0,0,0,2,0|0,0,2]=4 291 B6R1.5 CN1CC(=O)C1 P15929 [0,0,0,0,2,0|1,0,1]=4 292 B6R1.5 C[C@H]1CC(=O)O1 AT19323 [0,0,0,0,2,0|1,0,1]=4