0 B7R0.2 CCC(=O)CC(C)=O H69646 [0,0,0,0,0,0|2,0,1]=3 1 B7R0.2 CCC(=O)OC(C)=O A41227 [0,0,0,0,0,0|3,0,1]=4 2 B7R0.2 CC[C@H](C)CC(=O)O M41552 [0,0,0,0,0,0|0,0,0]=0 3 B7R0.2 CC[C@H](N)CC(=O)O A69512 [0,0,0,0,0,0|1,0,0]=1 4 B7R0.2 COC(=O)CC(=O)Cl M40174 [0,0,0,0,0,0|3,0,1]=4 5 B7R0.2 COC(=O)CC(=O)O M37882 [0,0,0,0,0,0|2,0,1]=3 6 B7R0.2 COC(=O)CC(=O)[O-] P67199 [0,0,0,0,0,0|2,0,2]=4 7 B7R0.2 C[C@H](CCl)CN(C)C C41612 [0,0,0,0,0,0|4,0,0]=4 8 B7R0.2 NC[C@@H](O)CC(=O)O A32052 [0,0,0,0,0,0|2,0,0]=2 9 B7R0.2 NC[C@H](O)CC(=O)O A67723 [0,0,0,0,0,0|2,0,0]=2 10 B7R0.2 N[C@@H](CO)CC(=O)O A38154 [0,0,0,0,0,0|2,0,0]=2 11 B6R0.1 C=CC[C@@H](N)CO A41325 [1,0,0,0,0,0|3,0,0]=4 12 B6R0.1 CCC[C@@H](Cl)CC C63946 [1,0,0,0,0,0|2,0,1]=4 13 B6R0.1 CO[C@@H](C)CCO M68623 [1,0,0,0,0,0|1,0,1]=3 14 B6R0.2 CC(=O)NC(C)C P40402 [1,0,0,0,0,0|2,0,0]=3 15 B6R0.2 CC(=O)O[C@H](C)Br B40231 [1,0,0,0,0,0|3,0,0]=4 16 B6R0.2 CC(C)CB(O)O M4460 [1,0,0,0,0,0|1,0,1]=3 17 B6R0.2 CC(C)C[C@H](C)N M43511 [1,0,0,0,0,0|2,0,1]=4 18 B6R0.2 CN(C)CC(=O)Cl D40251 [1,0,0,0,0,0|2,0,0]=3 19 B6R0.2 CN(C)CC(N)=S D69472 [1,0,0,0,0,0|2,1,0]=4 20 B6R0.2 C[C@@H](N)CC(=O)O A37837 [1,0,0,0,0,0|1,0,0]=2 21 B6R0.2 C[C@@H](N)CC(=O)O A40348 [1,0,0,0,0,0|1,0,0]=2 22 B6R0.2 C[C@@H](O)CC(=O)[O-] S37350 [1,0,0,0,0,0|1,0,1]=3 23 B6R0.2 C[C@@H](O)C[C@@H](C)O P40432 [1,0,0,0,0,0|2,0,1]=4 24 B6R0.2 C[C@H](N)CC(=O)O A40265 [1,0,0,0,0,0|1,0,0]=2 25 B6R0.2 C[C@H](O)CC(=O)O H38871 [1,0,0,0,0,0|1,0,0]=2 26 B6R0.2 C[C@H](O)CC(=O)[O-] S40298 [1,0,0,0,0,0|1,0,1]=3 27 B6R0.2 C[C@H](O)C[C@H](C)O P40433 [1,0,0,0,0,0|2,0,1]=4 28 B6R0.4 C#CCCC(=O)O P68088 [1,0,0,0,0,0|0,0,2]=3 29 B6R0.4 C=CCCC(=O)O P37823 [1,0,0,0,0,0|0,0,2]=3 30 B6R0.4 C=CCCC(N)=O P5022 [1,0,0,0,0,0|1,0,2]=4 31 B6R0.4 CC(=O)CCCCl C68599 [1,0,0,0,0,0|2,0,0]=3 32 B6R0.4 CC(=O)NCCN A68626 [1,0,0,0,0,0|3,0,0]=4 33 B6R0.4 CC(=O)NCCO H68625 [1,0,0,0,0,0|3,0,0]=4 34 B6R0.4 CC(=O)OCCBr B67892 [1,0,0,0,0,0|3,0,0]=4 35 B6R0.4 CCCCC(=N)N P41343 [1,0,0,0,0,0|2,0,0]=3 36 B6R0.4 CCCCC(=O)[O-] S38573 [1,0,0,0,0,0|0,0,1]=2 37 B6R0.4 CCCOC(N)=O P40264 [1,0,0,0,0,0|2,0,0]=3 38 B6R0.4 CNCCC(=O)O M40350 [1,0,0,0,0,0|1,0,0]=2 39 B6R0.4 COCCC(=O)O M40255 [1,0,0,0,0,0|1,0,0]=2 40 B6R0.4 N#CCCC(=O)O C69146 [1,0,0,0,0,0|1,0,1]=3 41 B6R0.4 NCCCC(N)=O A40304 [1,0,0,0,0,0|2,0,0]=3 42 B6R0.4 O=C(O)CCCBr B39154 [1,0,0,0,0,0|1,0,0]=2 43 B6R0.4 O=C(O)CCCCl C40232 [1,0,0,0,0,0|1,0,0]=2 44 B6R0.4 O=C(O)\C=C\CBr B37272 [1,0,0,0,0,0|1,0,2]=4 45 B8R0.2 COC(=O)[C@@H](C)C(=O)O M38995 [0,1,0,0,0,0|2,0,1]=4 46 B8R0.2 CO[C@@H](C)[C@@H](N)C(=O)O A61564 [0,1,0,0,0,0|1,0,0]=2 47 B8R0.2 CO[C@H](C)[C@H](N)C(=O)O A68038 [0,1,0,0,0,0|1,0,0]=2 48 B8R0.5 C=CC[C@@H](N)CC(=O)O A43439 [0,1,0,0,0,0|1,0,1]=3 49 B8R0.5 CCC[C@H](N)CC(=O)O A43488 [0,1,0,0,0,0|1,0,0]=2 50 B8R0.5 CCC\C(C)=C\C(=O)O M62391 [0,1,0,0,0,0|0,0,2]=3 51 B8R0.5 CCOC(=O)CC(=O)[O-] P39163 [0,1,0,0,0,0|1,0,2]=4 52 B8R0.5 CCOC(=O)CC(N)=O E38643 [0,1,0,0,0,0|2,0,1]=4 53 B8R0.16 CCN(CC)CC(=O)[O-] S60805 [0,1,0,0,0,0|1,0,1]=3 54 B8R0.16 COC(CC(C)=O)OC D39203 [0,1,0,0,0,0|2,0,0]=3 55 B8R0.19 CCC(=O)CC(=O)CC H43801 [0,1,0,0,0,0|2,0,1]=4 56 B8R0.19 CCC(=O)CC(=O)OC M39036 [0,1,0,0,0,0|1,0,1]=3 57 B8R0.19 CC[C@H](N)CC(=O)OC M43495 [0,1,0,0,0,0|1,0,0]=2 58 B8R0.19 CNC(C)=CC(=O)OC M41506 [0,1,0,0,0,0|1,0,2]=4 59 B8R0.19 COC(=O)CC(=O)CCl M61620 [0,1,0,0,0,0|2,0,1]=4 60 B8R0.19 COC(=O)CC(=O)OC D60836 [0,1,0,0,0,0|2,0,1]=4 61 B8R0.19 COC(=O)C[C@@H](O)CCl M41276 [0,1,0,0,0,0|2,0,0]=3 62 B8R0.19 COC(=O)\C=C(/C)OC M5601 [0,1,0,0,0,0|1,0,2]=4 63 B8R0.23 CC(=O)C[C@H](C)C(=O)O M14719 [0,1,0,0,0,0|2,0,1]=4 64 B8R0.23 CC(C)[C@@H](N)CC(=O)O A67729 [0,1,0,0,0,0|1,0,0]=2 65 B8R0.23 CC(C)[C@H](N)CC(=O)O A38977 [0,1,0,0,0,0|1,0,0]=2 66 B8R0.23 CC(C)[C@H](N)CC(=O)O A43501 [0,1,0,0,0,0|1,0,0]=2 67 B8R0.23 C[C@@H](CC(=O)O)C(=O)O M41232 [0,1,0,0,0,0|1,0,1]=3 68 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O A41340 [0,1,0,0,0,0|1,0,0]=2 69 B8R0.23 N[C@@H](CC(=O)O)C(=O)O A68901 [0,1,0,0,0,0|2,0,1]=4 70 B8R0.23 N[C@@H](CC(=O)O)C(=O)[O-] A60886 [0,1,0,0,0,0|2,0,1]=4 71 B8R0.24 CC[C@H](C)OS(C)(=O)=O M20605 [0,1,0,0,0,0|2,0,1]=4 72 B8R0.34 CC(C)(CN)CC(=O)O A60787 [0,1,0,0,0,0|1,0,0]=2 73 B8R0.34 CC(C)(CN)CC(=O)O A67050 [0,1,0,0,0,0|1,0,0]=2 74 B8R1.1 C=C[C@@H]1COC(=O)C1 V64256 [0,0,0,1,0,0|0,0,2]=3 75 B8R1.1 C=C[C@@H]1COC(=O)C1 V64417 [0,0,0,1,0,0|0,0,2]=3 76 B8R1.1 CCN1CC[C@H](O)C1 E41574 [0,0,0,1,0,0|2,0,1]=4 77 B8R1.1 NC[C@@H]1CCC(=O)N1 A19938 [0,0,0,1,0,0|3,0,0]=4 78 B8R1.1 NC[C@@H]1CNC(=O)C1 A15732 [0,0,0,1,0,0|2,0,0]=3 79 B8R1.1 NC[C@@H]1CNC(=O)C1 A27672 [0,0,0,1,0,0|2,0,0]=3 80 B8R1.1 NC[C@@H]1CNC(=O)C1 A7263 [0,0,0,1,0,0|2,0,0]=3 81 B8R1.1 NC[C@@H]1CNC(=O)O1 A27512 [0,0,0,1,0,0|3,0,0]=4 82 B8R1.1 NC[C@H]1CCC(=O)N1 A64040 [0,0,0,1,0,0|3,0,0]=4 83 B8R1.1 NC[C@H]1CNC(=O)C1 A18478 [0,0,0,1,0,0|2,0,0]=3 84 B8R1.1 NC[C@H]1CNC(=O)C1 A27671 [0,0,0,1,0,0|2,0,0]=3 85 B8R1.1 NC[C@H]1CNC(=O)O1 A10733 [0,0,0,1,0,0|3,0,0]=4 86 B8R1.1 NC[C@H]1CNC(=O)O1 A21197 [0,0,0,1,0,0|3,0,0]=4 87 B8R1.1 NC[C@H]1COC(=O)N1 A13336 [0,0,0,1,0,0|2,0,0]=3 88 B8R1.1 O=C1C=C(CBr)CO1 B31582 [0,0,0,1,0,0|1,0,2]=4 89 B8R1.1 O=C1C=C(CI)CO1 I6261 [0,0,0,1,0,0|1,0,2]=4 90 B8R1.1 O=C1C=C(CO)CO1 H1535 [0,0,0,1,0,0|1,0,2]=4 91 B8R1.1 O=C1CC[C@@H](CBr)N1 B41220 [0,0,0,1,0,0|3,0,0]=4 92 B8R1.1 O=C1CC[C@@H](CO)N1 H21817 [0,0,0,1,0,0|3,0,0]=4 93 B8R1.1 O=C1CC[C@@H](CO)O1 H41229 [0,0,0,1,0,0|3,0,0]=4 94 B8R1.1 O=C1CC[C@H](CBr)N1 B32099 [0,0,0,1,0,0|3,0,0]=4 95 B8R1.1 O=C1CC[C@H](CBr)O1 B66357 [0,0,0,1,0,0|3,0,0]=4 96 B8R1.1 O=C1CC[C@H](CI)N1 I2851 [0,0,0,1,0,0|3,0,0]=4 97 B8R1.1 O=C1CC[C@H](CI)O1 I2850 [0,0,0,1,0,0|3,0,0]=4 98 B8R1.1 O=C1CC[C@H](CO)N1 H24798 [0,0,0,1,0,0|3,0,0]=4 99 B8R1.1 O=C1CC[C@H](CO)N1 H7102 [0,0,0,1,0,0|3,0,0]=4 100 B8R1.1 O=C1CC[C@H](CO)O1 H5013 [0,0,0,1,0,0|3,0,0]=4 101 B8R1.1 O=C1C[C@H](CO)CN1 H14660 [0,0,0,1,0,0|2,0,0]=3 102 B8R1.1 O=C1NC[C@@H](CCl)O1 C40210 [0,0,0,1,0,0|3,0,0]=4 103 B8R1.1 O=C1NC[C@@H](CO)O1 H26969 [0,0,0,1,0,0|3,0,0]=4 104 B8R1.1 O=C1NC[C@H](CO)O1 H25217 [0,0,0,1,0,0|3,0,0]=4 105 B8R1.1 O=C1N[C@@H](CI)CO1 K40211 [0,0,0,1,0,0|2,0,0]=3 106 B8R1.1 O=C1N[C@@H](CO)CO1 H62331 [0,0,0,1,0,0|2,0,0]=3 107 B8R1.4 CC1CC(N)CCO1 M26284 [0,0,0,1,0,0|2,0,1]=4 108 B8R1.4 CC1CC(O)CCN1 M11589 [0,0,0,1,0,0|2,0,1]=4 109 B8R1.4 CC1CC(O)CCO1 M14345 [0,0,0,1,0,0|2,0,1]=4 110 B8R1.4 CN1CCCC(=O)C1 M13651 [0,0,0,1,0,0|2,0,0]=3 111 B8R1.4 CN1CCC[C@@H](O)C1 H1521 [0,0,0,1,0,0|2,0,1]=4 112 B8R1.4 CN1CCC[C@H](O)C1 H0286 [0,0,0,1,0,0|2,0,1]=4 113 B8R1.4 CN1CCC[C@H](O)C1 H1522 [0,0,0,1,0,0|2,0,1]=4 114 B8R1.4 CN1CCNC(=O)C1 M6975 [0,0,0,1,0,0|2,0,0]=3 115 B8R1.4 CN1CCOC(=O)C1 M41260 [0,0,0,1,0,0|1,0,0]=2 116 B8R1.4 C[C@@H]1CC(=O)CCN1 M10735 [0,0,0,1,0,0|2,0,0]=3 117 B8R1.4 C[C@@H]1CC(=O)CCO1 M11329 [0,0,0,1,0,0|2,0,0]=3 118 B8R1.4 C[C@@H]1CNCC(=O)N1 M13313 [0,0,0,1,0,0|3,0,0]=4 119 B8R1.4 C[C@@H]1COCC(=O)N1 M17373 [0,0,0,1,0,0|3,0,0]=4 120 B8R1.4 C[C@@H]1C[C@H](O)CCN1 M31245 [0,0,0,1,0,0|2,0,1]=4 121 B8R1.4 C[C@H]1CC(=O)CCN1 M10734 [0,0,0,1,0,0|2,0,0]=3 122 B8R1.4 C[C@H]1CC(=O)CCN1 M19737 [0,0,0,1,0,0|2,0,0]=3 123 B8R1.4 C[C@H]1CC(=O)CCN1 M8156 [0,0,0,1,0,0|2,0,0]=3 124 B8R1.4 C[C@H]1CC(=O)CCO1 M11328 [0,0,0,1,0,0|2,0,0]=3 125 B8R1.4 C[C@H]1CC(=O)CCO1 M14197 [0,0,0,1,0,0|2,0,0]=3 126 B8R1.4 C[C@H]1CCCC(=O)N1 M23832 [0,0,0,1,0,0|2,0,0]=3 127 B8R1.4 C[C@H]1CCNC(=O)C1 M23793 [0,0,0,1,0,0|1,0,0]=2 128 B8R1.4 C[C@H]1CNCC(=O)N1 M11164 [0,0,0,1,0,0|3,0,0]=4 129 B8R1.4 C[C@H]1C[C@@H](O)CCN1 M11590 [0,0,0,1,0,0|2,0,1]=4 130 B8R1.4 C[C@H]1C[C@@H](O)CCN1 M8079 [0,0,0,1,0,0|2,0,1]=4 131 B8R1.4 NC1CCCC(O)C1 A24893 [0,0,0,1,0,0|2,0,1]=4 132 B8R1.4 NC1CCCC(O)C1 A43477 [0,0,0,1,0,0|2,0,1]=4 133 B8R1.4 N[C@@H]1CCC[C@@H](O)C1 A17953 [0,0,0,1,0,0|2,0,1]=4 134 B8R1.4 N[C@@H]1CCC[C@H](O)C1 A24958 [0,0,0,1,0,0|2,0,1]=4 135 B8R1.4 N[C@@H]1CCC[C@H](O)C1 A32382 [0,0,0,1,0,0|2,0,1]=4 136 B8R1.4 N[C@H]1CCC[C@@H](O)C1 A31661 [0,0,0,1,0,0|2,0,1]=4 137 B8R1.4 N[C@H]1CCNC(=O)C1 A0054 [0,0,0,1,0,0|2,0,0]=3 138 B8R1.4 N[C@H]1CCNC(=O)C1 A37105 [0,0,0,1,0,0|2,0,0]=3 139 B8R1.4 O=C1CCCC(=O)C1 C38740 [0,0,0,1,0,0|2,0,1]=4 140 B8R1.4 O=C1CCNC(=O)C1 P7969 [0,0,0,1,0,0|2,0,1]=4 141 B8R1.4 O=C1C[C@@H](O)CCN1 H38902 [0,0,0,1,0,0|2,0,0]=3 142 B8R1.4 O=C1C[C@@H](O)CCN1 H41262 [0,0,0,1,0,0|2,0,0]=3 143 B8R1.18 CC1=C(C)OC(=O)O1 D39178 [0,0,0,1,0,0|1,0,2]=4 144 B8R1.18 CC1=CC(=O)C[C@@H]1C D43712 [0,0,0,1,0,0|1,0,1]=3 145 B8R1.18 CC1=CC(=O)O[C@@H]1O H32216 [0,0,0,1,0,0|1,0,2]=4 146 B8R1.18 C[C@@H]1NC(=O)OC1=O M40162 [0,0,0,1,0,0|2,0,1]=4 147 B8R1.18 C[C@H]1CC(=O)OC1=O M41122 [0,0,0,1,0,0|1,0,1]=3 148 B8R1.31 CC1NCC1C(=O)O M27890 [0,0,0,1,0,0|1,0,0]=2 149 B8R1.31 CN1CC[C@@H]1C(=O)O M22677 [0,0,0,1,0,0|1,0,0]=2 150 B8R1.31 C[C@@H]1CN[C@@H]1C(=O)O A30118 [0,0,0,1,0,0|1,0,0]=2 151 B8R1.31 N[C@@H]1CC[C@@H]1C(=O)O A13712 [0,0,0,1,0,0|1,0,0]=2 152 B8R1.31 N[C@@H]1CC[C@H]1C(=O)O A13711 [0,0,0,1,0,0|1,0,0]=2 153 B8R1.31 N[C@H]1CC[C@@H]1C(=O)O A13334 [0,0,0,1,0,0|1,0,0]=2 154 B8R1.31 N[C@H]1CC[C@H]1C(=O)O A13518 [0,0,0,1,0,0|1,0,0]=2 155 B8R1.31 N[C@H]1CC[C@H]1C(=O)O A29882 [0,0,0,1,0,0|1,0,0]=2 156 B8R1.31 O=C(O)C1CCC1F F59749 [0,0,0,1,0,0|1,0,0]=2 157 B8R1.31 O=C(O)[C@@H]1CNC1=O X11510 [0,0,0,1,0,0|2,0,1]=4 158 B8R1.34 CC(=O)NC1CNC1 A1331 [0,0,0,1,0,0|3,0,0]=4 159 B8R1.34 CC(=O)OC1CNC1 A41259 [0,0,0,1,0,0|3,0,0]=4 160 B8R1.34 CC(=O)OC1CNC1 A43595 [0,0,0,1,0,0|3,0,0]=4 161 B8R1.34 CC(=O)SC1CNC1 T12525 [0,0,0,1,0,0|3,0,0]=4 162 B8R1.34 O=C(O)C=C1CCC1 C10691 [0,0,0,1,0,0|0,0,2]=3 163 B8R1.34 O=C(O)CC1CCC1 C24745 [0,0,0,1,0,0|0,0,0]=1 164 B8R1.34 O=C(O)CC1CNC1 A10213 [0,0,0,1,0,0|1,0,0]=2 165 B8R1.34 O=C(O)CC1COC1 X6649 [0,0,0,1,0,0|1,0,0]=2 166 B8R1.34 O=[N+]([O-])CC1COC1 N6280 [0,0,0,1,0,0|2,0,1]=4 167 B8R1.43 N#CC1CC1C(=O)O C24298 [0,0,0,1,0,0|1,0,1]=3 168 B8R1.43 N#C[C@@H]1C[C@H]1C(=O)O C23494 [0,0,0,1,0,0|1,0,1]=3 169 B8R1.43 N#C[C@H]1C[C@H]1C(=O)O C25179 [0,0,0,1,0,0|1,0,1]=3 170 B8R1.51 CC1(O)CCC(N)C1 H14948 [0,0,0,1,0,0|2,0,1]=4 171 B8R1.51 N[C@@H]1CCS(=O)(=O)C1 A64489 [0,0,0,1,0,0|2,0,1]=4 172 B8R1.51 N[C@H]1CCS(=O)(=O)C1 A12453 [0,0,0,1,0,0|2,0,1]=4 173 B8R1.51 N[C@H]1CCS(=O)(=O)C1 A24037 [0,0,0,1,0,0|2,0,1]=4 174 B8R1.51 N[C@H]1CCS(=O)(=O)C1 A64487 [0,0,0,1,0,0|2,0,1]=4 175 B8R1.53 CC1(O)CC(CN)C1 H14859 [0,0,0,1,0,0|2,0,1]=4 176 B8R1.53 C[C@]1(O)C[C@@H](CN)C1 H27658 [0,0,0,1,0,0|2,0,1]=4 177 B8R1.53 C[C@]1(O)C[C@H](CN)C1 H11685 [0,0,0,1,0,0|2,0,1]=4 178 B8R1.53 C[C@]1(O)C[C@H](CN)C1 H31870 [0,0,0,1,0,0|2,0,1]=4 179 B8R1.62 CC1(CO)CC(=O)C1 H20258 [0,0,0,1,0,0|2,0,0]=3 180 B6R0.3 C=C(CBr)C(=O)O B40169 [0,0,0,0,1,0|1,0,2]=4 181 B6R0.3 C=C[C@H](C)C(=O)O M60559 [0,0,0,0,1,0|0,0,2]=3 182 B6R0.3 C=C[C@H](N)C(=O)O A40334 [0,0,0,0,1,0|1,0,2]=4 183 B6R0.3 CCC(=O)C(=O)[O-] S40297 [0,0,0,0,1,0|1,0,2]=4 184 B6R0.3 CCN(C)C(=O)Cl E40250 [0,0,0,0,1,0|2,0,0]=3 185 B6R0.3 CCN(C)C(C)=O E40404 [0,0,0,0,1,0|2,0,0]=3 186 B6R0.3 CC[C@@H](C)C(=O)O M40381 [0,0,0,0,1,0|0,0,0]=1 187 B6R0.3 CC[C@@H](N)C(N)=O A40305 [0,0,0,0,1,0|2,0,0]=3 188 B6R0.3 CC[C@H](C)B(O)O B39967 [0,0,0,0,1,0|1,0,1]=3 189 B6R0.3 CC[C@H](N)C(=O)O A40349 [0,0,0,0,1,0|1,0,0]=2 190 B6R0.3 CC[C@H](N)C(=O)O A68376 [0,0,0,0,1,0|1,0,0]=2 191 B6R0.3 CC[C@H](N)C(N)=O A64477 [0,0,0,0,1,0|2,0,0]=3 192 B6R0.3 CC[C@H](O)C(=O)O H23105 [0,0,0,0,1,0|1,0,0]=2 193 B6R0.3 CN[C@@H](C)C(=O)O M68914 [0,0,0,0,1,0|1,0,0]=2 194 B6R0.3 CN[C@H](C)C(=O)O M63076 [0,0,0,0,1,0|1,0,0]=2 195 B6R0.3 CON(C)C(C)=O M3307 [0,0,0,0,1,0|3,0,0]=4 196 B6R0.3 CO[C@@H](C)C(=O)O M11053 [0,0,0,0,1,0|1,0,0]=2 197 B6R0.3 CO[C@@H](C)C(=O)O M69861 [0,0,0,0,1,0|1,0,0]=2 198 B6R0.3 CO[C@H](C)C(=O)O M8894 [0,0,0,0,1,0|1,0,0]=2 199 B6R0.3 C[C@H](CN)C(=O)O A40352 [0,0,0,0,1,0|1,0,0]=2 200 B6R0.3 NC(=O)[C@H](N)CO A39930 [0,0,0,0,1,0|3,0,0]=4 201 B6R0.3 NC[C@@H](O)C(=O)O A39878 [0,0,0,0,1,0|2,0,0]=3 202 B6R0.3 NC[C@H](N)C(=O)O D39929 [0,0,0,0,1,0|2,0,0]=3 203 B6R0.3 NC[C@H](O)C(=O)O S39877 [0,0,0,0,1,0|2,0,0]=3 204 B6R0.3 N[C@@H](CS)C(=O)O A39926 [0,0,0,0,1,0|2,0,0]=3 205 B6R0.3 N[C@H](CCl)C(=O)O A39869 [0,0,0,0,1,0|2,0,0]=3 206 B6R0.3 N[C@H](CCl)C(=O)O A63558 [0,0,0,0,1,0|2,0,0]=3 207 B6R0.3 N[C@H](CS)C(=O)O A37860 [0,0,0,0,1,0|2,0,0]=3 208 B6R0.3 N[C@H](CS)C(=O)O C67456 [0,0,0,0,1,0|2,0,0]=3 209 B6R0.3 N[C@H](CS)C(=O)O C69203 [0,0,0,0,1,0|2,0,0]=3 210 B6R0.3 O=C(O)[C@@H](Br)CBr D39848 [0,0,0,0,1,0|2,0,0]=3 211 B6R0.3 O=C(O)[C@@H](O)CO D38851 [0,0,0,0,1,0|2,0,0]=3 212 B8R0.9 COC(=O)CCC(=O)O M37827 [0,0,0,0,0,1|2,0,1]=4 213 B8R0.9 COC(=O)NCC(=O)O M40229 [0,0,0,0,0,1|2,0,1]=4 214 B5R0.1 C#CCC(=O)O B38084 [2,0,0,0,0,0|0,0,2]=4 215 B5R0.1 C=CC[C@H](C)O P62507 [2,0,0,0,0,0|2,0,0]=4 216 B5R0.1 CC#CC(=O)O B67945 [2,0,0,0,0,0|0,0,2]=4 217 B5R0.1 CC(=O)CCCl C69539 [2,0,0,0,0,0|2,0,0]=4 218 B5R0.1 CC(C)CNN B40316 [2,0,0,0,0,0|2,0,0]=4 219 B5R0.1 CC(C)\C=N\O I2624 [2,0,0,0,0,0|1,0,1]=4 220 B5R0.1 CCCB(O)O P5056 [2,0,0,0,0,0|1,0,1]=4 221 B5R0.1 CN(C)CC=O D39943 [2,0,0,0,0,0|1,0,0]=3 222 B5R0.1 CN(C)NC=O D66358 [2,0,0,0,0,0|2,0,0]=4 223 B5R0.1 CNCC(=O)O M68590 [2,0,0,0,0,0|1,0,0]=3 224 B5R0.1 CNCC(N)=O M68358 [2,0,0,0,0,0|2,0,0]=4 225 B5R0.1 COCC(=O)O M69331 [2,0,0,0,0,0|1,0,0]=3 226 B5R0.1 C[C@@H](N)CCO A10772 [2,0,0,0,0,0|1,0,1]=4 227 B5R0.1 C[C@H](N)CCO A10771 [2,0,0,0,0,0|1,0,1]=4 228 B5R0.1 C[C@H](N)CCO A39964 [2,0,0,0,0,0|1,0,1]=4 229 B5R0.1 C[C@H](O)CCO B68917 [2,0,0,0,0,0|1,0,1]=4 230 B5R0.1 NCCC(N)=O A67869 [2,0,0,0,0,0|2,0,0]=4 231 B5R0.1 NCC[P@H](=O)O A39788 [2,0,0,0,0,0|2,0,0]=4 232 B5R0.1 NOCC(=O)O C40302 [2,0,0,0,0,0|2,0,0]=4 233 B5R0.2 C=CCCCBr B41237 [2,0,0,0,0,0|2,0,0]=4 234 B5R0.2 C=CCCCCl C41238 [2,0,0,0,0,0|2,0,0]=4 235 B5R0.2 C=CCCCO P36921 [2,0,0,0,0,0|2,0,0]=4 236 B5R0.2 CCCCON B40310 [2,0,0,0,0,0|2,0,0]=4 237 B5R0.2 CNCCCO M36844 [2,0,0,0,0,0|1,0,1]=4 238 B5R0.2 COCCCO M69411 [2,0,0,0,0,0|1,0,1]=4 239 B5R0.2 OCCCCBr B67330 [2,0,0,0,0,0|1,0,1]=4 240 B5R0.3 CC(CBr)CBr D40238 [2,0,0,0,0,0|2,0,0]=4 241 B5R0.3 CC(CO)CO M60880 [2,0,0,0,0,0|1,0,0]=3 242 B5R0.3 CCC(=O)CO H36713 [2,0,0,0,0,0|1,0,1]=4 243 B5R0.3 CCC(N)CC P40440 [2,0,0,0,0,0|1,0,1]=4 244 B5R0.3 CC[C@@H](N)CO A39144 [2,0,0,0,0,0|1,0,0]=3 245 B5R0.3 CC[C@@H](O)CO B39955 [2,0,0,0,0,0|1,0,0]=3 246 B5R0.3 CC[C@H](N)CO A39145 [2,0,0,0,0,0|1,0,0]=3 247 B5R0.3 CC[C@H](O)CO B39956 [2,0,0,0,0,0|1,0,0]=3 248 B5R0.3 CO[C@@H](C)CN M40313 [2,0,0,0,0,0|2,0,0]=4 249 B5R0.3 CO[C@@H](C)CO M68380 [2,0,0,0,0,0|1,0,0]=3 250 B5R0.3 CO[C@H](C)CN M40312 [2,0,0,0,0,0|2,0,0]=4 251 B5R0.3 CO[C@H](C)CO M68381 [2,0,0,0,0,0|1,0,0]=3 252 B5R0.3 NC[C@@H](O)CO A67523 [2,0,0,0,0,0|2,0,0]=4 253 B5R0.3 NC[C@H](O)CO A38562 [2,0,0,0,0,0|2,0,0]=4 254 B5R0.3 NC[C@H](O)CO A67451 [2,0,0,0,0,0|2,0,0]=4 255 B5R0.3 O=C[C@H](O)CO D39873 [2,0,0,0,0,0|2,0,0]=4 256 B5R0.3 OC[C@@H](O)CCl C69122 [2,0,0,0,0,0|2,0,0]=4 257 B5R0.3 OC[C@@H](O)CF F60905 [2,0,0,0,0,0|2,0,0]=4 258 B5R0.3 OC[C@H](O)CCl C68371 [2,0,0,0,0,0|2,0,0]=4 259 B5R0.3 OC[C@H](O)CF F60904 [2,0,0,0,0,0|2,0,0]=4 260 B7R0.7 CCC[C@H](N)CCO A43513 [1,1,0,0,0,0|1,0,1]=4 261 B7R0.10 CC[C@H](C)[C@H](N)CO K68906 [1,1,0,0,0,0|0,0,1]=3 262 B7R0.9 CC(C)(C)CB(O)O N40449 [1,1,0,0,0,0|1,0,1]=4 263 B7R0.9 CC(C)(C)OC(N)=O C10352 [1,1,0,0,0,0|2,0,0]=4 264 B7R0.9 CC(C)(N)CC(=O)O A40410 [1,1,0,0,0,0|0,0,0]=2 265 B7R0.9 CC(C)(O)CC(=O)[O-] C39647 [1,1,0,0,0,0|0,0,1]=3 266 B7R0.9 CC(C)CS(=O)(=O)Cl M40271 [1,1,0,0,0,0|1,0,1]=4 267 B7R0.9 CS(=O)(=O)CC(=O)O M37911 [1,1,0,0,0,0|2,0,0]=4 268 B7R0.9 O=C(O)CC(F)(F)F T39832 [1,1,0,0,0,0|2,0,0]=4 269 B7R0.16 CC(C)C(=O)C(=O)[O-] S41304 [1,1,0,0,0,0|0,0,2]=4 270 B7R0.16 CC(C)[C@@H](N)C(=O)O A60652 [1,1,0,0,0,0|0,0,0]=2 271 B7R0.16 CC(C)[C@@H](O)C(=O)O H64151 [1,1,0,0,0,0|0,0,0]=2 272 B7R0.16 CC(C)[C@H](N)C(=N)O V67982 [1,1,0,0,0,0|1,0,0]=3 273 B7R0.16 CC(C)[C@H](O)C(=O)O H40392 [1,1,0,0,0,0|0,0,0]=2 274 B7R0.16 CC(O)C(N)C(=O)O T61081 [1,1,0,0,0,0|1,0,0]=3 275 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O A67434 [1,1,0,0,0,0|1,0,0]=3 276 B7R0.16 C[C@@H](O)[C@H](N)C(N)=O A40309 [1,1,0,0,0,0|2,0,0]=4 277 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O A68604 [1,1,0,0,0,0|1,0,0]=3 278 B7R0.4 C#CCCCC(=O)O H43301 [1,1,0,0,0,0|0,0,1]=3 279 B7R0.4 CC(=O)CCCCBr B41532 [1,1,0,0,0,0|1,0,0]=3 280 B7R0.4 CC(=O)OCCCBr B41266 [1,1,0,0,0,0|2,0,0]=4 281 B7R0.4 CC(=O)OCCCCl C39190 [1,1,0,0,0,0|2,0,0]=4 282 B7R0.4 CCCCCB(O)O P38628 [1,1,0,0,0,0|1,0,1]=4 283 B7R0.4 CCCCC[C@H](C)O H43947 [1,1,0,0,0,0|1,0,1]=4 284 B7R0.4 CCCCOC(N)=O B39165 [1,1,0,0,0,0|1,0,0]=3 285 B7R0.4 CCCOCC(=O)O P40387 [1,1,0,0,0,0|0,0,0]=2 286 B7R0.4 CCC\C=C\C(=O)O H41460 [1,1,0,0,0,0|0,0,1]=3 287 B7R0.4 CCOC=CC(=O)O E41226 [1,1,0,0,0,0|0,0,2]=4 288 B7R0.4 CNCCCC(=O)O M63276 [1,1,0,0,0,0|0,0,0]=2 289 B7R0.4 COCCCC(=O)O M67387 [1,1,0,0,0,0|0,0,0]=2 290 B7R0.4 COCCNC(N)=O M36648 [1,1,0,0,0,0|2,0,0]=4 291 B7R0.4 COC\C=C\C(=O)O M63576 [1,1,0,0,0,0|0,0,2]=4 292 B7R0.4 N#CCCCC(=O)O C41166 [1,1,0,0,0,0|0,0,1]=3 293 B7R0.4 NC(=O)COCCCl C40247 [1,1,0,0,0,0|2,0,0]=4 294 B7R0.4 O=C(O)CCCCBr B39187 [1,1,0,0,0,0|0,0,0]=2 295 B7R0.4 O=C(O)CCCCCl C39191 [1,1,0,0,0,0|0,0,0]=2 296 B7R0.4 O=C(O)CCCCO H37199 [1,1,0,0,0,0|0,0,0]=2 297 B7R0.4 O=C(O)CNCCO H40270 [1,1,0,0,0,0|1,0,0]=3 298 B7R0.4 O=C(O)COCCCl C40236 [1,1,0,0,0,0|1,0,0]=3 299 B7R0.4 O=C([O-])CCCCO S41306 [1,1,0,0,0,0|0,0,1]=3 300 B7R0.4 [N-]=[N+]=NCCC(=O)O A1939 [1,1,0,0,0,0|2,0,0]=4 301 B7R0.6 CC(=O)CCC(C)=O H64912 [1,1,0,0,0,0|1,0,1]=4 302 B7R0.6 CN(C)CCC(=O)O D41335 [1,1,0,0,0,0|1,0,0]=3 303 B7R0.6 C[C@H](O)CC[C@H](C)O H68605 [1,1,0,0,0,0|1,0,1]=4 304 B7R0.6 NC(=O)CCC(=O)O A63078 [1,1,0,0,0,0|1,0,1]=4 305 B7R0.6 O=C(O)CCC(F)F D59737 [1,1,0,0,0,0|1,0,0]=3 306 B7R0.13 C#CC(C)(C)C(=O)O D24314 [0,1,0,0,1,0|0,0,2]=4 307 B7R0.13 C=CC(C)(C)C(=O)O D37320 [0,1,0,0,1,0|0,0,2]=4 308 B7R0.13 CC(C)(C#N)C(=O)O C62304 [0,1,0,0,1,0|1,0,1]=4 309 B7R0.13 CC(C)(CF)C(=O)O F41272 [0,1,0,0,1,0|1,0,0]=3 310 B7R0.13 CC(C)(CN)C(N)=O A12146 [0,1,0,0,1,0|2,0,0]=4 311 B7R0.13 CC(C)(CO)C(=O)O H68365 [0,1,0,0,1,0|1,0,0]=3 312 B7R0.13 CC[C@@](C)(N)C(=O)O K69340 [0,1,0,0,1,0|0,0,0]=2 313 B7R0.13 CC[C@](C)(N)C(=O)O K68055 [0,1,0,0,1,0|0,0,0]=2 314 B7R0.13 C[C@@](N)(CO)C(=O)O M36868 [0,1,0,0,1,0|1,0,0]=3 315 B7R0.13 C[C@](N)(CO)C(=O)O A32019 [0,1,0,0,1,0|1,0,0]=3 316 B7R0.13 C[C@](O)(CBr)C(=O)O B40235 [0,1,0,0,1,0|1,0,0]=3 317 B7R0.13 NCC(F)(F)C(=O)O A62796 [0,1,0,0,1,0|2,0,0]=4 318 B7R0.13 NCC(F)(F)C(=O)O A67336 [0,1,0,0,1,0|2,0,0]=4 319 B7R0.15 CCC(CC)C(=O)[O-] M43580 [0,1,0,0,1,0|0,0,1]=3 320 B7R0.15 O=C(O)C(CBr)CBr B40213 [0,1,0,0,1,0|1,0,0]=3 321 B7R0.15 O=C(O)C(CS)CS M67176 [0,1,0,0,1,0|1,0,0]=3 322 B9R0.7 C[C@H](CCC(=O)O)C(=O)O M62172 [0,1,0,0,0,1|1,0,1]=4 323 B9R0.7 C[C@H](Cl)C(=O)NCC(=O)O C41218 [0,1,0,0,0,1|1,0,1]=4 324 B9R0.43 COC(CNC(C)=O)OC D41591 [0,1,0,0,0,1|2,0,0]=4 325 B9R0.27 CCC(=O)[C@H](F)C(=O)OC M43406 [0,2,0,0,0,0|1,0,1]=4 326 B9R0.79 CC(C)[C@H](O)[C@@H](N)C(=O)O A41594 [0,2,0,0,0,0|1,0,0]=3 327 B9R0.34 CCCC(=O)CC(=O)OC M39290 [0,2,0,0,0,0|1,0,1]=4 328 B9R0.34 CCOC(=O)CC(=O)CC E43812 [0,2,0,0,0,0|1,0,1]=4 329 B9R0.34 CCOC(=O)C[C@@H](O)CCl E68321 [0,2,0,0,0,0|2,0,0]=4 330 B9R0.34 CCOC(=O)C[C@H](O)CO E66047 [0,2,0,0,0,0|2,0,0]=4 331 B9R0.53 CC(C)C[C@H](N)CC(=O)O A43926 [0,2,0,0,0,0|1,0,0]=3 332 B9R0.53 CC(C)C[C@H](N)CC(=O)O A43928 [0,2,0,0,0,0|1,0,0]=3 333 B9R0.53 CN(CC(=O)O)CC(=O)O M67937 [0,2,0,0,0,0|1,0,1]=4 334 B9R0.58 CCC[C@](C)(O)CC(=O)O H69517 [0,2,0,0,0,0|0,0,0]=2 335 B9R0.26 COC(=O)CC(OC)OC M41564 [0,2,0,0,0,0|1,0,0]=3 336 B9R0.10 N[C@@H](CC(=O)O)C(F)(F)F A63843 [0,2,0,0,0,0|2,0,0]=4 337 B9R0.11 CC(C)(CC(=O)O)C(=O)O D68876 [0,2,0,0,0,0|1,0,1]=4 338 B7R1.1 BrC[C@H]1CCOC1 T0399 [1,0,0,1,0,0|1,0,1]=4 339 B7R1.1 CC[C@@H]1CCNC1 E22541 [1,0,0,1,0,0|1,0,1]=4 340 B7R1.1 CC[C@H]1CCNC1 E22542 [1,0,0,1,0,0|1,0,1]=4 341 B7R1.1 CN[C@@H]1CCOC1 M15031 [1,0,0,1,0,0|1,0,1]=4 342 B7R1.1 CN[C@H]1CCOC1 M1156 [1,0,0,1,0,0|1,0,1]=4 343 B7R1.1 IC[C@H]1CCOC1 I12451 [1,0,0,1,0,0|1,0,1]=4 344 B7R1.1 NC[C@@H]1CCOC1 T10325 [1,0,0,1,0,0|1,0,1]=4 345 B7R1.1 NC[C@@H]1CCOC1 T1675 [1,0,0,1,0,0|1,0,1]=4 346 B7R1.1 NC[C@H]1CCOC1 T10324 [1,0,0,1,0,0|1,0,1]=4 347 B7R1.1 NC[C@H]1CCOC1 T1153 [1,0,0,1,0,0|1,0,1]=4 348 B7R1.1 NC[C@H]1CCOC1 T1674 [1,0,0,1,0,0|1,0,1]=4 349 B7R1.1 NC[C@H]1CCOC1 T7262 [1,0,0,1,0,0|1,0,1]=4 350 B7R1.1 OCC1CC=CC1 C11867 [1,0,0,1,0,0|2,0,0]=4 351 B7R1.1 OC[C@@H]1CCOC1 T0397 [1,0,0,1,0,0|1,0,1]=4 352 B7R1.1 OC[C@H]1CCOC1 T0396 [1,0,0,1,0,0|1,0,1]=4 353 B7R1.1 OC[C@H]1CCOC1 T0398 [1,0,0,1,0,0|1,0,1]=4 354 B7R1.2 CC1=CC(=O)CC1 M22783 [1,0,0,1,0,0|0,0,2]=4 355 B7R1.2 CN1CCC(=O)C1 M5444 [1,0,0,1,0,0|1,0,0]=3 356 B7R1.2 CN1CC[C@@H](O)C1 H0285 [1,0,0,1,0,0|1,0,1]=4 357 B7R1.2 CN1CC[C@H](O)C1 H0283 [1,0,0,1,0,0|1,0,1]=4 358 B7R1.2 CN1CC[C@H](O)C1 H0284 [1,0,0,1,0,0|1,0,1]=4 359 B7R1.2 C[C@@H]1CNC(=O)C1 P22910 [1,0,0,1,0,0|1,0,0]=3 360 B7R1.2 C[C@@H]1COC(=O)N1 M32194 [1,0,0,1,0,0|2,0,0]=4 361 B7R1.2 C[C@@H]1C[C@H](O)CN1 M29502 [1,0,0,1,0,0|1,0,1]=4 362 B7R1.2 C[C@H]1CCC(=O)N1 M61805 [1,0,0,1,0,0|1,0,0]=3 363 B7R1.2 C[C@H]1COC(=O)N1 M40226 [1,0,0,1,0,0|2,0,0]=4 364 B7R1.2 C[C@H]1C[C@H](O)CN1 M29501 [1,0,0,1,0,0|1,0,1]=4 365 B7R1.2 NC1CCC(O)C1 A1764 [1,0,0,1,0,0|1,0,1]=4 366 B7R1.2 N[C@@H]1CC[C@@H](O)C1 A27718 [1,0,0,1,0,0|1,0,1]=4 367 B7R1.2 N[C@@H]1CC[C@H](O)C1 A11831 [1,0,0,1,0,0|1,0,1]=4 368 B7R1.2 N[C@@H]1CC[C@H](O)C1 A18160 [1,0,0,1,0,0|1,0,1]=4 369 B7R1.2 N[C@@H]1CNC(=O)C1 A11620 [1,0,0,1,0,0|2,0,0]=4 370 B7R1.2 N[C@@H]1CNC(=O)C1 A20556 [1,0,0,1,0,0|2,0,0]=4 371 B7R1.2 N[C@@H]1CNC(=O)C1 A24834 [1,0,0,1,0,0|2,0,0]=4 372 B7R1.2 N[C@@H]1CNC(=O)C1 P21713 [1,0,0,1,0,0|2,0,0]=4 373 B7R1.2 N[C@@H]1COC(=O)C1 A40337 [1,0,0,1,0,0|2,0,0]=4 374 B7R1.2 N[C@H]1CC[C@@H](O)C1 A18401 [1,0,0,1,0,0|1,0,1]=4 375 B7R1.2 N[C@H]1CC[C@H](O)C1 A11832 [1,0,0,1,0,0|1,0,1]=4 376 B7R1.2 N[C@H]1CC[C@H](O)C1 A20210 [1,0,0,1,0,0|1,0,1]=4 377 B7R1.2 N[C@H]1CNC(=O)C1 A27147 [1,0,0,1,0,0|2,0,0]=4 378 B7R1.2 N[C@H]1COC(=O)C1 A37707 [1,0,0,1,0,0|2,0,0]=4 379 B7R1.2 O=C1CCC(=O)C1 C13761 [1,0,0,1,0,0|1,0,1]=4 380 B7R1.2 O=C1CC[C@H](O)C1 H22750 [1,0,0,1,0,0|1,0,0]=3 381 B7R1.2 O=C1C[C@@H](O)CN1 H22487 [1,0,0,1,0,0|2,0,0]=4 382 B7R1.2 O=C1C[C@@H](S)CN1 M12154 [1,0,0,1,0,0|2,0,0]=4 383 B7R1.2 O=C1C[C@H](O)CN1 H15629 [1,0,0,1,0,0|2,0,0]=4 384 B7R1.2 O=C1C[C@H](O)CN1 H38056 [1,0,0,1,0,0|2,0,0]=4 385 B7R1.2 OC1CCC(O)C1 C24450 [1,0,0,1,0,0|1,0,1]=4 386 B7R1.2 O[C@@H]1CC[C@@H](O)C1 C20800 [1,0,0,1,0,0|1,0,1]=4 387 B7R1.2 O[C@H]1CC[C@@H](O)C1 C20799 [1,0,0,1,0,0|1,0,1]=4 388 B7R1.3 BrC1CCOCC1 B1507 [1,0,0,1,0,0|1,0,1]=4 389 B7R1.3 C[C@@H]1CCCNC1 M43474 [1,0,0,1,0,0|2,0,0]=4 390 B7R1.3 ClC1CCOCC1 C4527 [1,0,0,1,0,0|1,0,1]=4 391 B7R1.3 IC1CCOCC1 I1189 [1,0,0,1,0,0|1,0,1]=4 392 B7R1.3 NC1CCOCC1 A1504 [1,0,0,1,0,0|1,0,1]=4 393 B7R1.3 NC1CCOCC1 T1169 [1,0,0,1,0,0|1,0,1]=4 394 B7R1.3 OC1CCOCC1 H0389 [1,0,0,1,0,0|1,0,1]=4 395 B7R1.3 [Mg+]C1CCOCC1 T8353 [1,0,0,1,0,0|1,0,1]=4 396 B7R1.3 [Mg+]C1CCOCC1 T8354 [1,0,0,1,0,0|1,0,1]=4 397 B7R1.6 C=CCC1CNC1 P20750 [1,0,0,1,0,0|2,0,0]=4 398 B7R1.6 NCCC1CCC1 C15341 [1,0,0,1,0,0|1,0,1]=4 399 B7R1.6 NNCC1CCC1 C17979 [1,0,0,1,0,0|2,0,0]=4 400 B7R1.6 OCCC1COC1 X6653 [1,0,0,1,0,0|1,0,1]=4 401 B7R1.6 OCCN1CCC1 A25441 [1,0,0,1,0,0|1,0,1]=4 402 B7R1.6 OCC[C@H]1CCO1 X59677 [1,0,0,1,0,0|1,0,1]=4 403 B7R1.8 OCC1CCC1F F60214 [1,0,0,1,0,0|1,0,1]=4 404 B7R1.10 CCN1CC(O)C1 A0524 [1,0,0,1,0,0|1,0,1]=4 405 B7R1.10 CNC1CC(O)C1 M10596 [1,0,0,1,0,0|1,0,1]=4 406 B7R1.10 CN[C@H]1C[C@@H](O)C1 M27665 [1,0,0,1,0,0|1,0,1]=4 407 B7R1.10 CN[C@H]1C[C@H](O)C1 M14921 [1,0,0,1,0,0|1,0,1]=4 408 B7R1.10 CN[C@H]1C[C@H](O)C1 M15745 [1,0,0,1,0,0|1,0,1]=4 409 B7R1.10 N#CC1CC(=O)C1 X10543 [1,0,0,1,0,0|1,0,1]=4 410 B7R1.10 NCC1CC(=O)C1 SB7355 [1,0,0,1,0,0|1,0,0]=3 411 B7R1.10 NCC1CC(O)C1 A12368 [1,0,0,1,0,0|1,0,1]=4 412 B7R1.10 NCC1CC(O)C1 A7528 [1,0,0,1,0,0|1,0,1]=4 413 B7R1.10 NC[C@H]1C[C@@H](O)C1 A0603 [1,0,0,1,0,0|1,0,1]=4 414 B7R1.10 NC[C@H]1C[C@@H](O)C1 A7737 [1,0,0,1,0,0|1,0,1]=4 415 B7R1.10 NC[C@H]1C[C@H](O)C1 A0604 [1,0,0,1,0,0|1,0,1]=4 416 B7R1.10 NC[C@H]1C[C@H](O)C1 A10510 [1,0,0,1,0,0|1,0,1]=4 417 B7R1.10 O=C1CC(CBr)C1 B11904 [1,0,0,1,0,0|1,0,0]=3 418 B7R1.10 O=C1CC(CO)C1 H0725 [1,0,0,1,0,0|1,0,0]=3 419 B7R1.10 OCC1CC(O)C1 H40382 [1,0,0,1,0,0|1,0,1]=4 420 B7R1.21 CC1(CCO)CC1 M22121 [1,0,0,1,0,0|0,0,1]=3 421 B7R1.12 C[C@@H]1C[C@@H]1C(=O)O M59914 [1,0,0,1,0,0|0,0,0]=2 422 B7R1.12 C[C@@H]1C[C@H]1C(=O)O M24588 [1,0,0,1,0,0|0,0,0]=2 423 B7R1.12 C[C@H]1C[C@H]1C(=O)O M24546 [1,0,0,1,0,0|0,0,0]=2 424 B7R1.12 C[C@H]1C[C@H]1C(=O)O M59857 [1,0,0,1,0,0|0,0,0]=2 425 B7R1.12 O=C(O)C1CC1F F20460 [1,0,0,1,0,0|1,0,0]=3 426 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F F8695 [1,0,0,1,0,0|1,0,0]=3 427 B7R1.12 O=C(O)[C@@H]1C[C@@H]1I K67056 [1,0,0,1,0,0|1,0,0]=3 428 B7R1.12 O=C(O)[C@@H]1C[C@H]1F F18516 [1,0,0,1,0,0|1,0,0]=3 429 B7R1.12 O=C(O)[C@@H]1C[C@H]1F F21701 [1,0,0,1,0,0|1,0,0]=3 430 B7R1.12 O=C(O)[C@H]1C[C@@H]1F F21702 [1,0,0,1,0,0|1,0,0]=3 431 B7R1.16 CC1(C)CC(O)C1 D24163 [1,0,0,1,0,0|1,0,1]=4 432 B7R1.20 O=C(O)CC1CC1 C11216 [1,0,0,1,0,0|0,0,0]=2 433 B7R1.14 CC1(O)CCCC1 M41551 [1,0,0,1,0,0|1,0,1]=4 434 B7R1.18 CC(=O)C1CCC1 C22926 [1,0,0,1,0,0|1,0,0]=3 435 B7R1.18 CC(=O)C1CNC1 A18542 [1,0,0,1,0,0|2,0,0]=4 436 B7R1.18 N=C(N)C1CCC1 C11379 [1,0,0,1,0,0|2,0,0]=4 437 B7R1.18 NC(=O)C1CCC1 C36760 [1,0,0,1,0,0|1,0,0]=3 438 B7R1.18 NC(=O)C1CNC1 A0189 [1,0,0,1,0,0|2,0,0]=4 439 B7R1.18 NC(=O)C1CNC1 A10232 [1,0,0,1,0,0|2,0,0]=4 440 B7R1.18 O=C(O)C1CCC1 C39184 [1,0,0,1,0,0|0,0,0]=2 441 B7R1.18 O=C(O)C1CNC1 A0022 [1,0,0,1,0,0|1,0,0]=3 442 B7R1.18 O=C(O)C1CNC1 A62344 [1,0,0,1,0,0|1,0,0]=3 443 B7R1.18 O=C(O)[C@@H]1CCN1 A0692 [1,0,0,1,0,0|1,0,0]=3 444 B7R1.18 O=C(O)[C@@H]1CCN1 A0705 [1,0,0,1,0,0|1,0,0]=3 445 B7R1.18 O=C(O)[C@@H]1CCO1 X60210 [1,0,0,1,0,0|1,0,0]=3 446 B7R1.18 O=C(O)[C@@H]1CCO1 X6939 [1,0,0,1,0,0|1,0,0]=3 447 B7R1.18 O=C(O)[C@H]1CCN1 A0706 [1,0,0,1,0,0|1,0,0]=3 448 B7R1.18 O=C(O)[C@H]1CCN1 A40336 [1,0,0,1,0,0|1,0,0]=3 449 B7R1.18 O=C(O)[C@H]1CCO1 X60294 [1,0,0,1,0,0|1,0,0]=3 450 B7R1.18 OB(O)C1CCC1 C38656 [1,0,0,1,0,0|1,0,1]=4 451 B7R1.19 CC1(C(=O)Cl)CC1 M21667 [0,0,0,1,1,0|1,0,0]=3 452 B7R1.19 CC1(C(=O)O)CC1 M10729 [0,0,0,1,1,0|0,0,0]=2 453 B7R1.19 CC1(C(N)=O)CC1 M41258 [0,0,0,1,1,0|1,0,0]=3 454 B7R1.19 NC(=O)C1(N)CC1 A29804 [0,0,0,1,1,0|2,0,0]=4 455 B7R1.19 NC1(C(=O)O)CC1 A7850 [0,0,0,1,1,0|1,0,0]=3 456 B7R1.19 O=C(O)C1(Br)CC1 B40170 [0,0,0,1,1,0|1,0,0]=3 457 B7R1.19 O=C(O)C1(F)CC1 F32122 [0,0,0,1,1,0|1,0,0]=3 458 B7R1.19 O=C(O)C1(O)CC1 H13746 [0,0,0,1,1,0|1,0,0]=3 459 B9R1.1 CCC1CCC(=O)CC1 E39441 [0,0,0,1,0,1|1,0,0]=3 460 B9R1.1 CCC1CCC(O)CC1 E47155 [0,0,0,1,0,1|1,0,1]=4 461 B9R1.1 NC[C@H]1CCC(=O)NC1 A10714 [0,0,0,1,0,1|2,0,0]=4 462 B9R1.1 O=C1CC[C@H](CO)CN1 H38263 [0,0,0,1,0,1|2,0,0]=4 463 B9R1.1 O=C1CO[C@@H](CO)CN1 H26506 [0,0,0,1,0,1|2,0,0]=4 464 B9R1.1 O=C1CO[C@@H](CO)CN1 H41263 [0,0,0,1,0,1|2,0,0]=4 465 B9R1.1 O=C1CO[C@H](CO)CN1 H25634 [0,0,0,1,0,1|2,0,0]=4 466 B9R1.35 CC(=O)N1CC[C@@H](O)C1 A7835 [0,0,0,1,0,1|2,0,0]=4 467 B9R1.35 CC(=O)N1CC[C@H](N)C1 A14633 [0,0,0,1,0,1|2,0,0]=4 468 B9R1.35 CC(=O)N1CC[C@H](O)C1 H41507 [0,0,0,1,0,1|2,0,0]=4 469 B9R1.35 CN1CC[C@@H](C(=O)O)C1 M14179 [0,0,0,1,0,1|1,0,0]=3 470 B9R1.35 CN1CC[C@@H](C(=O)O)C1 M27617 [0,0,0,1,0,1|1,0,0]=3 471 B9R1.35 CN1CC[C@H](C(=O)O)C1 M11319 [0,0,0,1,0,1|1,0,0]=3 472 B9R1.35 CN1CC[C@H](C(=O)O)C1 M23984 [0,0,0,1,0,1|1,0,0]=3 473 B9R1.35 CN1CC[C@H](C(=O)O)C1 M7624 [0,0,0,1,0,1|1,0,0]=3 474 B9R1.35 C[C@@H]1CC[C@@H](C(=O)O)N1 M60259 [0,0,0,1,0,1|0,0,0]=2 475 B9R1.35 C[C@H]1CC[C@H](C(=O)O)N1 M60278 [0,0,0,1,0,1|0,0,0]=2 476 B9R1.35 NC1CCC(C(=O)O)C1 A11845 [0,0,0,1,0,1|1,0,0]=3 477 B9R1.35 NC1CCC(C(=O)O)C1 A15670 [0,0,0,1,0,1|1,0,0]=3 478 B9R1.35 N[C@@H]1CC[C@@H](C(=O)O)C1 A15249 [0,0,0,1,0,1|1,0,0]=3 479 B9R1.35 N[C@@H]1CC[C@@H](C(=O)O)C1 A20649 [0,0,0,1,0,1|1,0,0]=3 480 B9R1.35 N[C@@H]1CC[C@H](C(=O)O)C1 A15248 [0,0,0,1,0,1|1,0,0]=3 481 B9R1.35 N[C@@H]1CC[C@H](C(=O)O)C1 A43449 [0,0,0,1,0,1|1,0,0]=3 482 B9R1.35 N[C@@H]1CN[C@@H](C(=O)O)C1 A41383 [0,0,0,1,0,1|2,0,0]=4 483 B9R1.35 N[C@@H]1CN[C@H](C(=O)O)C1 A41384 [0,0,0,1,0,1|2,0,0]=4 484 B9R1.35 N[C@H]1CC[C@@H](C(=O)O)C1 A25040 [0,0,0,1,0,1|1,0,0]=3 485 B9R1.35 N[C@H]1CC[C@H](C(=O)O)C1 A43450 [0,0,0,1,0,1|1,0,0]=3 486 B9R1.35 N[C@H]1CN[C@H](C(=O)O)C1 A60941 [0,0,0,1,0,1|2,0,0]=4 487 B9R1.35 O=C(O)C1CCC(O)C1 H41473 [0,0,0,1,0,1|1,0,0]=3 488 B9R1.35 O=C(O)[C@@H]1C[C@@H](F)CN1 F24489 [0,0,0,1,0,1|2,0,0]=4 489 B9R1.35 O=C(O)[C@@H]1C[C@@H](F)CN1 F4406 [0,0,0,1,0,1|2,0,0]=4 490 B9R1.35 O=C(O)[C@@H]1C[C@@H](O)CN1 H24020 [0,0,0,1,0,1|2,0,0]=4 491 B9R1.35 O=C(O)[C@@H]1C[C@@H](O)CN1 H41377 [0,0,0,1,0,1|2,0,0]=4 492 B9R1.35 O=C(O)[C@@H]1C[C@@H](S)CN1 S60350 [0,0,0,1,0,1|2,0,0]=4 493 B9R1.35 O=C(O)[C@@H]1C[C@H](F)CN1 F13520 [0,0,0,1,0,1|2,0,0]=4 494 B9R1.35 O=C(O)[C@@H]1C[C@H](F)CN1 F13680 [0,0,0,1,0,1|2,0,0]=4 495 B9R1.35 O=C(O)[C@@H]1C[C@H](O)CN1 H41378 [0,0,0,1,0,1|2,0,0]=4 496 B9R1.35 O=C(O)[C@@H]1C[C@H](S)CN1 M15630 [0,0,0,1,0,1|2,0,0]=4 497 B9R1.35 O=C(O)[C@H]1C[C@@H](F)CN1 F13522 [0,0,0,1,0,1|2,0,0]=4 498 B9R1.35 O=C(O)[C@H]1C[C@@H](F)CN1 F20223 [0,0,0,1,0,1|2,0,0]=4 499 B9R1.35 O=C(O)[C@H]1C[C@@H](O)CN1 H15420 [0,0,0,1,0,1|2,0,0]=4 500 B9R1.35 O=C(O)[C@H]1C[C@@H](O)CN1 H29938 [0,0,0,1,0,1|2,0,0]=4 501 B9R1.35 O=C(O)[C@H]1C[C@H](F)CN1 F13521 [0,0,0,1,0,1|2,0,0]=4 502 B9R1.35 O=C(O)[C@H]1C[C@H](F)CN1 F4408 [0,0,0,1,0,1|2,0,0]=4 503 B9R1.35 O=C(O)[C@H]1C[C@H](O)CN1 H41373 [0,0,0,1,0,1|2,0,0]=4 504 B9R1.35 O=C1CC[C@@H](C(=O)O)C1 X15326 [0,0,0,1,0,1|1,0,1]=4 505 B9R1.35 O=C1CC[C@@H](C(=O)O)O1 X22343 [0,0,0,1,0,1|1,0,1]=4 506 B9R1.35 O=C1CC[C@@H](C(=O)O)O1 X38776 [0,0,0,1,0,1|1,0,1]=4 507 B9R1.35 O=C1CC[C@@H](C(=O)O)S1 X10747 [0,0,0,1,0,1|1,0,1]=4 508 B9R1.35 O=C1CC[C@H](C(=O)O)C1 O7893 [0,0,0,1,0,1|1,0,1]=4 509 B9R1.35 O=C1CC[C@H](C(=O)O)C1 X15325 [0,0,0,1,0,1|1,0,1]=4 510 B9R1.35 O=C1CC[C@H](C(=O)O)O1 X37943 [0,0,0,1,0,1|1,0,1]=4 511 B9R1.49 CN1CCNC(=O)CC1 M10175 [0,0,0,1,0,1|2,0,0]=4 512 B9R1.49 N[C@H]1CCCC(=O)NC1 A43464 [0,0,0,1,0,1|2,0,0]=4 513 B9R1.49 O=C1CCC[C@H](O)CN1 H41499 [0,0,0,1,0,1|2,0,0]=4 514 B9R1.95 COC1CC(C(=O)O)C1 M11729 [0,0,0,1,0,1|1,0,0]=3 515 B9R1.95 CO[C@H]1C[C@@H](C(=O)O)C1 M11730 [0,0,0,1,0,1|1,0,0]=3 516 B9R1.95 CO[C@H]1C[C@H](C(=O)O)C1 M11731 [0,0,0,1,0,1|1,0,0]=3 517 B9R1.95 NCC1CC(C(=O)O)C1 A15397 [0,0,0,1,0,1|1,0,0]=3 518 B9R1.95 NCC1CC(C(=O)O)C1 A30087 [0,0,0,1,0,1|1,0,0]=3 519 B9R1.95 O=C(O)C1CC(CO)C1 H11330 [0,0,0,1,0,1|1,0,0]=3 520 B9R1.3 CC1CCCC(O)C1C D47156 [0,1,0,1,0,0|1,0,1]=4 521 B9R1.37 CC1CC(=O)C(=O)C1C D43719 [0,1,0,1,0,0|0,0,1]=3 522 B9R1.41 CN1CCC[C@@H]1C(=O)O M24378 [0,1,0,1,0,0|1,0,0]=3 523 B9R1.41 CN1CCC[C@@H]1C(=O)O M29559 [0,1,0,1,0,0|1,0,0]=3 524 B9R1.41 CN1CCC[C@@H]1C(=O)O M43438 [0,1,0,1,0,0|1,0,0]=3 525 B9R1.41 CN1CCC[C@H]1C(=O)O M22169 [0,1,0,1,0,0|1,0,0]=3 526 B9R1.41 CN1CCC[C@H]1C(=O)O M24873 [0,1,0,1,0,0|1,0,0]=3 527 B9R1.41 CN1CCC[C@H]1C(=O)O M43447 [0,1,0,1,0,0|1,0,0]=3 528 B9R1.41 N[C@H]1CCC[C@@H]1C(=O)O A23278 [0,1,0,1,0,0|1,0,0]=3 529 B9R1.41 O=C(O)[C@@H]1CCNC1=O X15532 [0,1,0,1,0,0|1,0,1]=4 530 B9R1.41 O=C(O)[C@@H]1NCC[C@@H]1O H13252 [0,1,0,1,0,0|1,0,0]=3 531 B9R1.41 O=C(O)[C@@H]1NCC[C@@H]1O H23787 [0,1,0,1,0,0|1,0,0]=3 532 B9R1.41 O=C(O)[C@@H]1NCC[C@@H]1O H27028 [0,1,0,1,0,0|1,0,0]=3 533 B9R1.41 O=C(O)[C@@H]1NCC[C@@H]1O H27029 [0,1,0,1,0,0|1,0,0]=3 534 B9R1.41 O=C(O)[C@@H]1NCC[C@H]1O H13665 [0,1,0,1,0,0|1,0,0]=3 535 B9R1.41 O=C(O)[C@@H]1NCC[C@H]1O H27030 [0,1,0,1,0,0|1,0,0]=3 536 B9R1.41 O=C(O)[C@H]1NCC[C@@H]1O H14383 [0,1,0,1,0,0|1,0,0]=3 537 B9R1.41 O=C(O)[C@H]1NCC[C@@H]1O H27031 [0,1,0,1,0,0|1,0,0]=3 538 B9R1.41 O=C(O)[C@H]1NCC[C@H]1O H13249 [0,1,0,1,0,0|1,0,0]=3 539 B9R1.81 COC(=O)C1CNC1C M21134 [0,1,0,1,0,0|1,0,0]=3 540 B9R1.81 COC(=O)[C@@H]1CC[C@@H]1N M10731 [0,1,0,1,0,0|1,0,0]=3 541 B9R1.96 CCC1CN[C@@H]1C(=O)O A30119 [0,1,0,1,0,0|0,0,0]=2 542 B9R1.96 CCN1CC[C@H]1C(=O)O E29784 [0,1,0,1,0,0|1,0,0]=3 543 B9R1.110 CC(C(=O)O)C1CCO1 X59781 [0,1,0,1,0,0|1,0,0]=3 544 B9R1.110 N[C@@H](C(=O)O)C1CCC1 A12996 [0,1,0,1,0,0|0,0,0]=2 545 B9R1.110 N[C@@H](C(=O)O)C1COC1 A8466 [0,1,0,1,0,0|1,0,0]=3 546 B9R1.110 N[C@H](C(=O)O)C1CCC1 A10555 [0,1,0,1,0,0|0,0,0]=2 547 B9R1.110 N[C@H](C(=O)O)C1CCC1 A12995 [0,1,0,1,0,0|0,0,0]=2 548 B9R1.110 N[C@H](C(=O)O)C1COC1 A8464 [0,1,0,1,0,0|1,0,0]=3 549 B9R1.110 N[C@H](C(=O)O)C1COC1 A8465 [0,1,0,1,0,0|1,0,0]=3 550 B9R1.111 CC1([C@H](N)C(=O)O)CC1 A11157 [0,1,0,1,0,0|0,0,0]=2 551 B9R1.111 CC1([C@H](N)C(=O)O)CC1 A30010 [0,1,0,1,0,0|0,0,0]=2 552 B9R1.111 N[C@H](C(=O)O)C1(O)CC1 A62784 [0,1,0,1,0,0|1,0,0]=3 553 B9R1.7 CCC[C@H]1COC(=O)C1 P43806 [0,1,0,1,0,0|0,0,0]=2 554 B9R1.7 O=S1OCC(CCCl)O1 C65668 [0,1,0,1,0,0|2,0,0]=4 555 B9R1.13 CC(=O)N[C@@H]1CCNC1 A14336 [0,1,0,1,0,0|2,0,0]=4 556 B9R1.13 CC(=O)N[C@H]1CCNC1 A14335 [0,1,0,1,0,0|2,0,0]=4 557 B9R1.13 CC(=O)N[C@H]1CCNC1 P63075 [0,1,0,1,0,0|2,0,0]=4 558 B9R1.13 O=C(Cl)OC1CCCC1 C43402 [0,1,0,1,0,0|2,0,0]=4 559 B9R1.13 O=C(O)CC1CCCC1 C16642 [0,1,0,1,0,0|0,0,0]=2 560 B9R1.13 O=C(O)CN1CCCC1 P41503 [0,1,0,1,0,0|1,0,0]=3 561 B9R1.13 O=C(O)CN1CCCC1 P43441 [0,1,0,1,0,0|1,0,0]=3 562 B9R1.13 O=C(O)C[C@@H]1CCCN1 H14057 [0,1,0,1,0,0|0,0,0]=2 563 B9R1.13 O=C(O)C[C@@H]1CCCN1 P41505 [0,1,0,1,0,0|0,0,0]=2 564 B9R1.13 O=C(O)C[C@@H]1CCNC1 P14180 [0,1,0,1,0,0|0,0,0]=2 565 B9R1.13 O=C(O)C[C@H]1CCCN1 H14056 [0,1,0,1,0,0|0,0,0]=2 566 B9R1.13 O=C(O)C[C@H]1CCCN1 P43445 [0,1,0,1,0,0|0,0,0]=2 567 B9R1.13 O=C(O)C[C@H]1CCCN1 P69047 [0,1,0,1,0,0|0,0,0]=2 568 B9R1.13 O=C(O)C[C@H]1CCNC1 P10341 [0,1,0,1,0,0|0,0,0]=2 569 B9R1.13 O=C(O)C[C@H]1CCNC1 P14181 [0,1,0,1,0,0|0,0,0]=2 570 B9R1.13 O=C(O)C[C@H]1CCNC1 P43442 [0,1,0,1,0,0|0,0,0]=2 571 B9R1.13 O=C(O)C[C@H]1CCOC1 X19979 [0,1,0,1,0,0|0,0,0]=2 572 B9R1.22 O=C1C[C@H](O)[C@@H](CO)O1 H29811 [0,1,0,1,0,0|1,0,0]=3 573 B9R1.34 CC1CC(=O)CC(=O)C1 M43717 [0,1,0,1,0,0|1,0,1]=4 574 B9R1.34 C[C@H]1CC(=O)C[C@@H](C)O1 D19918 [0,1,0,1,0,0|1,0,0]=3 575 B9R1.38 CC1(C)CC(=O)OC1=O D67953 [0,1,0,1,0,0|1,0,1]=4 576 B9R1.48 C[C@H]1CC(=O)NCCN1 H7872 [0,1,0,1,0,0|1,0,0]=3 577 B9R1.52 CC1CN(C)[C@@H]1C(=O)O A30111 [0,1,0,1,0,0|0,0,0]=2 578 B9R1.53 CC(=O)NC1CC(N)C1 A30123 [0,1,0,1,0,0|2,0,0]=4 579 B9R1.53 CC(=O)NC1CC(N)C1 N14377 [0,1,0,1,0,0|2,0,0]=4 580 B9R1.53 NC1CC(CC(=O)O)C1 A11674 [0,1,0,1,0,0|0,0,0]=2 581 B9R1.53 N[C@H]1C[C@@H](CC(=O)O)C1 A11675 [0,1,0,1,0,0|0,0,0]=2 582 B9R1.53 N[C@H]1C[C@@H](CC(=O)O)C1 A14838 [0,1,0,1,0,0|0,0,0]=2 583 B9R1.53 N[C@H]1C[C@H](CC(=O)O)C1 A11676 [0,1,0,1,0,0|0,0,0]=2 584 B9R1.66 CC1(C)CC(=O)CCN1 D46484 [0,1,0,1,0,0|2,0,0]=4 585 B9R1.66 CC1(C)CC(=O)CCO1 D17314 [0,1,0,1,0,0|2,0,0]=4 586 B9R1.66 CC1(C)CCCC(=O)C1 D22905 [0,1,0,1,0,0|1,0,0]=3 587 B9R1.2 CCN1CCNC(=O)C1 E43465 [0,1,0,1,0,0|2,0,0]=4 588 B9R1.2 CO[C@@H]1CCC[C@H](O)C1 M59938 [0,1,0,1,0,0|1,0,1]=4 589 B9R1.2 N#C[C@H]1CCCC(=O)C1 X46385 [0,1,0,1,0,0|1,0,1]=4 590 B9R1.2 NC[C@H]1CCCC(=O)N1 A37687 [0,1,0,1,0,0|2,0,0]=4 591 B9R1.2 NC[C@H]1CCNC(=O)C1 A7242 [0,1,0,1,0,0|1,0,0]=3 592 B9R1.2 O=C1COC[C@H](CO)N1 H37541 [0,1,0,1,0,0|2,0,0]=4 593 B9R1.2 O=C1C[C@@H](CO)CCN1 X0577 [0,1,0,1,0,0|1,0,0]=3 594 B9R1.128 O=C(O)CC1(CS)CC1 M62742 [0,1,0,1,0,0|0,0,0]=2 595 B9R1.23 CN1C[C@@H](CN)CC1=O A10326 [0,1,0,1,0,0|2,0,0]=4 596 B9R1.79 COC(=O)CC1CNC1 M0406 [0,1,0,1,0,0|1,0,0]=3 597 B9R1.79 COC(=O)CC1CNC1 M37284 [0,1,0,1,0,0|1,0,0]=3 598 B9R1.79 COC(=O)CC1COC1 M0309 [0,1,0,1,0,0|1,0,0]=3 599 B9R1.88 COC(=O)C1CC1CN M27272 [0,1,0,1,0,0|1,0,0]=3 600 B9R1.88 COC(=O)[C@H]1C[C@@H]1CO M59717 [0,1,0,1,0,0|1,0,0]=3 601 B9R1.113 COC(=O)CC1(N)CC1 M37142 [0,1,0,1,0,0|1,0,0]=3 602 B9R1.161 NC(=O)C1CC1C(=O)O C29921 [0,1,0,1,0,0|1,0,1]=4 603 B9R1.161 O=C(O)[C@@H]1C[C@H]1C(=O)O C29917 [0,1,0,1,0,0|1,0,1]=4 604 B9R1.161 O=C(O)[C@@H]1C[C@H]1C(F)F D60171 [0,1,0,1,0,0|1,0,0]=3 605 B9R1.161 O=C(O)[C@H]1C[C@H]1C(=O)O C29916 [0,1,0,1,0,0|1,0,1]=4 606 B9R1.170 O=C(O)C[C@H]1CC1(F)F D29570 [0,1,0,1,0,0|1,0,0]=3 607 B9R1.114 O=S(=O)(Cl)CC1CCC1 C41269 [0,1,0,1,0,0|1,0,1]=4 608 B9R1.166 CC1(C)CN[C@@H]1C(=O)O A30117 [0,1,0,1,0,0|1,0,0]=3 609 B9R1.166 O=C(O)[C@H]1CCC1(F)F D59690 [0,1,0,1,0,0|1,0,0]=3 610 B9R2.39 O=C1NC2CCC1C2 A64651 [0,0,0,2,0,0|2,0,0]=4 611 B9R2.39 O=C1OC2CCC1C2 X31814 [0,0,0,2,0,0|2,0,0]=4 612 B9R2.39 O[C@@H]1C[C@H]2CC[C@@H]1C2 B62162 [0,0,0,2,0,0|1,0,1]=4 613 B9R2.139 O=C1CC2(CC2)CO1 X23130 [0,0,0,2,0,0|0,0,0]=2 614 B9R2.8 O=C1CC2CC(C1)C2 B60206 [0,0,0,2,0,0|1,0,0]=3 615 B9R2.21 O=C1CC2CC2CN1 A59683 [0,0,0,2,0,0|1,0,0]=3 616 B9R2.25 O=C1OC(=O)C2CC12 X24282 [0,0,0,2,0,0|1,0,1]=4 617 B9R2.109 O=C1CCCC2CC12 B13672 [0,0,0,2,0,0|1,0,0]=3 618 B9R2.109 O=C1CCCC2OC12 X43306 [0,0,0,2,0,0|2,0,0]=4 619 B9R2.138 O=C1CC2(CCC2)C1 S10809 [0,0,0,2,0,0|1,0,0]=3 620 B9R2.138 O=C1CC2(CNC2)C1 A30076 [0,0,0,2,0,0|2,0,0]=4 621 B9R2.138 O=C1CC2(COC2)C1 X7169 [0,0,0,2,0,0|2,0,0]=4 622 B9R2.138 O=C1CC2(CSC2)C1 T11068 [0,0,0,2,0,0|2,0,0]=4 623 B9R2.138 OC1CC2(CCC2)C1 S29676 [0,0,0,2,0,0|1,0,1]=4 624 B9R2.143 O=C(O)[C@H]1CC12CC2 S21785 [0,0,0,2,0,0|0,0,0]=2 625 B5R0.5 CC(C)B(O)O P39893 [1,0,0,0,1,0|1,0,1]=4 626 B5R0.5 CC(C)C(=N)N B40303 [1,0,0,0,1,0|2,0,0]=4 627 B5R0.5 CC(C)C(N)=O I4848 [1,0,0,0,1,0|1,0,0]=3 628 B5R0.5 CC(C)C(N)=S M3101 [1,0,0,0,1,0|1,1,0]=4 629 B5R0.5 CC(C)[S@](=O)[O-] S66891 [1,0,0,0,1,0|1,0,1]=4 630 B5R0.5 CC(O)C(=O)[O-] C60888 [1,0,0,0,1,0|1,0,1]=4 631 B5R0.5 C[C@@H](Cl)C(=O)O C60901 [1,0,0,0,1,0|1,0,0]=3 632 B5R0.5 C[C@@H](N)C(N)=O A69602 [1,0,0,0,1,0|2,0,0]=4 633 B5R0.5 C[C@@H](O)C(N)=O H68918 [1,0,0,0,1,0|2,0,0]=4 634 B5R0.5 C[C@H](N)C(=O)O A39925 [1,0,0,0,1,0|1,0,0]=3 635 B5R0.5 C[C@H](N)C(=O)O A60902 [1,0,0,0,1,0|1,0,0]=3