0 B9R1.6 CC(=O)C1CCCNC1 4005879 [0,0,0,0,0,0|2,0,0]=2 1 B9R1.6 CC(=O)C1CCCNC1 4087824 [0,0,0,0,0,0|2,0,0]=2 2 B9R1.6 CC(C)C1CCCNC1 4016074 [0,0,0,0,0,0|3,0,1]=4 3 B9R1.6 CC(C)C1CCNCC1 4016223 [0,0,0,0,0,0|3,0,1]=4 4 B9R1.6 CC(N)C1CCCCC1 4019758 [0,0,0,0,0,0|2,0,1]=3 5 B9R1.6 CC(N)C1CCCCC1 4087887 [0,0,0,0,0,0|2,0,1]=3 6 B9R1.6 CC(O)C1CCNCC1 4027058 [0,0,0,0,0,0|2,0,1]=3 7 B9R1.6 CN(C)C1CCCNC1 4018212 [0,0,0,0,0,0|4,0,0]=4 8 B9R1.6 CN(C)C1CCNCC1 4018153 [0,0,0,0,0,0|4,0,0]=4 9 B9R1.6 N=C(N)C1CCOCC1 4052824 [0,0,0,0,0,0|3,0,0]=3 10 B9R1.6 NC(=O)C1CNCCO1 4036482 [0,0,0,0,0,0|3,0,0]=3 11 B9R1.6 NC(=S)C1CCNCC1 4009820 [0,0,0,0,0,0|2,1,0]=3 12 B9R1.6 O=C(O)C1=CCCNC1 4141599 [0,0,0,0,0,0|1,0,2]=3 13 B9R1.6 O=C(O)C1=CCCOC1 4019307 [0,0,0,0,0,0|1,0,2]=3 14 B9R1.6 O=C(O)C1CCCCO1 4014945 [0,0,0,0,0,0|1,0,0]=1 15 B9R1.6 O=C(O)C1CCOCC1 4004296 [0,0,0,0,0,0|1,0,0]=1 16 B9R1.6 O=C(O)C1CCSCN1 4027710 [0,0,0,0,0,0|2,0,0]=2 17 B9R1.6 O=C(O)C1SCCCS1 4049559 [0,0,0,0,0,0|2,0,0]=2 18 B8R1.2 BrCC1CCCOC1 4046211 [1,0,0,0,0,0|2,0,1]=4 19 B8R1.2 C=CC1CCCNC1 4108333 [1,0,0,0,0,0|2,0,0]=3 20 B8R1.2 C=CC1CCNCC1 4062882 [1,0,0,0,0,0|2,0,0]=3 21 B8R1.2 CCC1CCCNC1 4018855 [1,0,0,0,0,0|2,0,1]=4 22 B8R1.2 CCC1CCNCC1 4004580 [1,0,0,0,0,0|2,0,1]=4 23 B8R1.2 CCC1CCNCC1 4110368 [1,0,0,0,0,0|2,0,1]=4 24 B8R1.2 CNC1CCOCC1 4003545 [1,0,0,0,0,0|3,0,0]=4 25 B8R1.2 CNC1CCSCC1 4036158 [1,0,0,0,0,0|3,0,0]=4 26 B8R1.2 COC1CCCNC1 4002969 [1,0,0,0,0,0|3,0,0]=4 27 B8R1.2 COC1CCCNC1 4087774 [1,0,0,0,0,0|3,0,0]=4 28 B8R1.2 COC1CCCNC1 4088818 [1,0,0,0,0,0|3,0,0]=4 29 B8R1.2 COC1CCNCC1 4002968 [1,0,0,0,0,0|3,0,0]=4 30 B8R1.2 COC1CCNCC1 4088815 [1,0,0,0,0,0|3,0,0]=4 31 B8R1.2 N#CC1CCCNC1 4009818 [1,0,0,0,0,0|2,0,1]=4 32 B8R1.2 N#CC1CCNCC1 4009819 [1,0,0,0,0,0|2,0,1]=4 33 B8R1.2 N#CC1CCNCC1 4088035 [1,0,0,0,0,0|2,0,1]=4 34 B8R1.2 N#CC1CCOCC1 4026815 [1,0,0,0,0,0|2,0,1]=4 35 B8R1.2 NCC1CCCCO1 4087791 [1,0,0,0,0,0|2,0,1]=4 36 B8R1.2 NCC1CCCOC1 4014028 [1,0,0,0,0,0|2,0,1]=4 37 B8R1.2 NCC1CCCOC1 4087864 [1,0,0,0,0,0|2,0,1]=4 38 B8R1.2 NCC1CCOCC1 4004281 [1,0,0,0,0,0|2,0,1]=4 39 B8R1.2 NCC1CCOCC1 4089498 [1,0,0,0,0,0|2,0,1]=4 40 B8R1.2 OCC1CCCOC1 4027028 [1,0,0,0,0,0|1,0,1]=3 41 B8R1.2 OCC1CCOCC1 4027097 [1,0,0,0,0,0|1,0,1]=3 42 B8R1.2 OCC1COCCN1 4027853 [1,0,0,0,0,0|2,0,1]=4 43 B8R1.2 OCC1COCCO1 4015242 [1,0,0,0,0,0|2,0,1]=4 44 B10R1.13 CC(=O)N1CCC(N)CC1 4030629 [0,1,0,0,0,0|2,0,0]=3 45 B10R1.13 CC(=O)N1CCC(N)CC1 4089694 [0,1,0,0,0,0|2,0,0]=3 46 B10R1.13 CC(=O)N1CCC(O)CC1 4032674 [0,1,0,0,0,0|2,0,0]=3 47 B10R1.13 CN1CCC(C(=O)O)CC1 4400177 [0,1,0,0,0,0|1,0,0]=2 48 B10R1.13 O=C1CCC(C(=O)O)CN1 4015789 [0,1,0,0,0,0|1,0,1]=3 49 B10R1.13 O=C1CNC(C(=O)O)CN1 4110533 [0,1,0,0,0,0|2,0,1]=4 50 B10R1.15 CC(CO)C1CCNCC1 4036094 [0,1,0,0,0,0|2,0,1]=4 51 B10R1.15 CCC(=O)C1CCCNC1 4005880 [0,1,0,0,0,0|2,0,0]=3 52 B10R1.15 CCC(O)C1CCNCC1 4005900 [0,1,0,0,0,0|2,0,1]=4 53 B10R1.15 CNC(=O)C1CCCCN1 4041354 [0,1,0,0,0,0|2,0,0]=3 54 B10R1.15 CNC(=O)C1CCCNC1 4031837 [0,1,0,0,0,0|2,0,0]=3 55 B10R1.15 COC(=O)C1CNCCO1 4036481 [0,1,0,0,0,0|2,0,0]=3 56 B10R1.15 NNC(=O)C1CCCCC1 3017809 [0,1,0,0,0,0|1,0,0]=2 57 B10R1.15 NNC(=O)C1CCCCC1 4036715 [0,1,0,0,0,0|1,0,0]=2 58 B10R1.15 NNC(=O)C1CCOCC1 4027261 [0,1,0,0,0,0|2,0,0]=3 59 B10R1.15 O=C(CBr)N1CCCCC1 4023674 [0,1,0,0,0,0|2,0,0]=3 60 B10R1.15 O=C(CBr)N1CCOCC1 4023671 [0,1,0,0,0,0|3,0,0]=4 61 B10R1.15 O=C(CO)N1CCCCC1 4023499 [0,1,0,0,0,0|1,0,0]=2 62 B10R1.15 OCC(O)C1CCNCC1 4065256 [0,1,0,0,0,0|1,0,2]=4 63 B10R1.28 CC(C)(O)C1CCCNC1 4018255 [0,1,0,0,0,0|2,0,1]=4 64 B10R1.28 CC(C)(O)C1CCNCC1 4018256 [0,1,0,0,0,0|2,0,1]=4 65 B10R1.28 NS(=O)(=O)C1CCNCC1 4052484 [0,1,0,0,0,0|2,0,1]=4 66 B10R1.28 O=S(=O)(Cl)C1CCOCC1 4029605 [0,1,0,0,0,0|2,0,1]=4 67 B10R1.28 O=S(=O)(Cl)N1CCCCC1 4014373 [0,1,0,0,0,0|2,0,1]=4 68 B10R1.61 CN(C)[C@@H]1CCCC[C@H]1O 3003016 [0,1,0,0,0,0|3,0,0]=4 69 B10R1.61 CN1CCCCC1C(=O)O 4400178 [0,1,0,0,0,0|1,0,0]=2 70 B10R1.61 CN1CCNCC1C(=O)O 4142105 [0,1,0,0,0,0|2,0,0]=3 71 B10R1.61 CN1CCOC[C@@H]1C(=O)O 4037824 [0,1,0,0,0,0|2,0,0]=3 72 B10R1.61 CN1CCOC[C@H]1C(=O)O 4038718 [0,1,0,0,0,0|2,0,0]=3 73 B10R1.61 NC(=O)[C@@H]1CC=CC[C@H]1N 4046864 [0,1,0,0,0,0|1,0,2]=4 74 B10R1.61 O=C(O)C1CCCNC1=O 4006056 [0,1,0,0,0,0|1,0,1]=3 75 B10R1.113 CC(=O)N1CCCC(N)C1 4030057 [0,1,0,0,0,0|2,0,0]=3 76 B10R1.113 CC(=O)N1CCCC(O)C1 4034617 [0,1,0,0,0,0|2,0,0]=3 77 B10R1.113 CN(C)[C@@H]1CCC[C@H](O)C1 4037670 [0,1,0,0,0,0|3,0,0]=4 78 B10R1.113 CN1CCCC(C(=N)N)C1 4045274 [0,1,0,0,0,0|3,0,0]=4 79 B10R1.113 CN1CCNC(C(=O)O)C1 4142107 [0,1,0,0,0,0|2,0,0]=3 80 B10R1.113 CN1CCOC(C(=O)O)C1 4078099 [0,1,0,0,0,0|2,0,0]=3 81 B10R1.113 O=C(O)[C@@H]1CCC[C@@H](O)C1 4110383 [0,1,0,0,0,0|0,0,0]=1 82 B10R1.113 O=C(O)[C@@H]1CCC[C@H](O)C1 4110843 [0,1,0,0,0,0|0,0,0]=1 83 B10R1.363 CC1(C(=O)O)CCCCO1 4018171 [0,1,0,0,0,0|1,0,0]=2 84 B10R1.363 CC1(C(=O)O)CCCNC1 4043455 [0,1,0,0,0,0|1,0,0]=2 85 B10R1.363 CC1(C(=O)O)CCNCC1 4041448 [0,1,0,0,0,0|1,0,0]=2 86 B10R1.363 CC1(C(N)=O)CCCNC1 4045454 [0,1,0,0,0,0|2,0,0]=3 87 B10R1.363 CC1(C(N)=O)CCNCC1 4044666 [0,1,0,0,0,0|2,0,0]=3 88 B10R1.363 NC(=O)C1(N)CCCCC1 4017296 [0,1,0,0,0,0|1,0,0]=2 89 B10R1.363 NC1(C(=O)O)CCOCC1 4031572 [0,1,0,0,0,0|1,0,0]=2 90 B10R1.363 NC1(C(=O)O)CCOCC1 4108235 [0,1,0,0,0,0|1,0,0]=2 91 B10R1.363 O=C(O)C1(O)CCCCC1 4033358 [0,1,0,0,0,0|0,0,0]=1 92 B10R1.363 O=C(O)C1(O)CCNCC1 4472558 [0,1,0,0,0,0|1,0,0]=2 93 B8R0.7 C\C=C\CCCC(=O)O 4074621 [0,0,1,0,0,0|0,0,2]=3 94 B8R0.8 C=CCSC(C)C(=O)O 4026797 [0,0,1,0,0,0|1,0,2]=4 95 B8R0.8 CCCNC(=O)C(=O)O 4027289 [0,0,1,0,0,0|2,0,1]=4 96 B8R0.8 CCCOC(C)C(=O)O 4020872 [0,0,1,0,0,0|1,0,0]=2 97 B8R0.15 CCCC(NC)C(=O)O 4044041 [0,0,1,0,0,0|1,0,0]=2 98 B10R2.61 O=C1N[C@H]2CCC[C@@H]1C2 4091297 [0,0,0,1,0,0|1,0,0]=2 99 B10R2.351 O=C(O)[C@@H]1[C@H]2CNC[C@H]21 4042507 [0,0,0,1,0,0|1,0,0]=2 100 B10R2.351 O=C(O)[C@H]1[C@H]2CNC[C@H]21 4071012 [0,0,0,1,0,0|1,0,0]=2 101 B8R1.7 CC(=O)C1CCCC1 4031395 [0,0,0,0,1,0|1,0,0]=2 102 B8R1.7 CC(=O)C1CCCO1 4075977 [0,0,0,0,1,0|2,0,0]=3 103 B8R1.7 CC(N)C1CCCC1 4040740 [0,0,0,0,1,0|2,0,1]=4 104 B8R1.7 N=C(N)C1CCOC1 4108969 [0,0,0,0,1,0|3,0,0]=4 105 B8R1.7 O=C(O)C1CCCS1 4045536 [0,0,0,0,1,0|1,0,0]=2 106 B10R1.18 CC(=O)CN1CCCCC1 4028176 [0,0,0,0,0,1|2,0,0]=3 107 B10R1.18 CC(=O)CN1CCOCC1 4027871 [0,0,0,0,0,1|3,0,0]=4 108 B10R1.18 N=C(N)NC1CCCCC1 4002516 [0,0,0,0,0,1|2,0,0]=3 109 B10R1.18 NC(=O)CC1CCCCN1 4014901 [0,0,0,0,0,1|2,0,0]=3 110 B10R1.18 NC(=O)CN1CCNCC1 4028522 [0,0,0,0,0,1|3,0,0]=4 111 B10R1.18 NC(=O)CN1CCNCC1 4088514 [0,0,0,0,0,1|3,0,0]=4 112 B10R1.18 O=C(O)CC1CCCCN1 4088025 [0,0,0,0,0,1|1,0,0]=2 113 B10R1.18 O=C(O)CC1CCCCN1 4142131 [0,0,0,0,0,1|1,0,0]=2 114 B10R1.18 O=C(O)CC1CCCOC1 4004917 [0,0,0,0,0,1|1,0,0]=2 115 B10R1.18 O=C(O)CC1CCNCC1 4091105 [0,0,0,0,0,1|1,0,0]=2 116 B10R1.18 O=C(O)CC1CCNCC1 4142132 [0,0,0,0,0,1|1,0,0]=2 117 B10R1.18 O=C(O)CC1CNCCO1 4029903 [0,0,0,0,0,1|2,0,0]=3 118 B10R1.18 O=C(O)CN1CCCCC1 4088006 [0,0,0,0,0,1|1,0,0]=2 119 B10R1.18 O=C(O)CN1CCCCC1 4401702 [0,0,0,0,0,1|1,0,0]=2 120 B10R1.18 O=C(O)CN1CCOCC1 4089205 [0,0,0,0,0,1|2,0,0]=3 121 B10R1.18 O=C(O)CN1CCOCC1 4401712 [0,0,0,0,0,1|2,0,0]=3 122 B10R1.348 CC(=O)N1CCCNCC1 4028076 [0,0,0,0,0,1|2,0,0]=3 123 B10R1.348 CC(=O)N1CCCNCC1 4089127 [0,0,0,0,0,1|2,0,0]=3 124 B10R1.348 CN(C)C1CCCCNC1 4016778 [0,0,0,0,0,1|3,0,0]=4 125 B10R1.348 CN(C)C1CCCNCC1 4038770 [0,0,0,0,0,1|3,0,0]=4 126 B10R1.348 CN(C)[C@H]1CCCCNC1 4045210 [0,0,0,0,0,1|3,0,0]=4 127 B10R1.348 NC(=O)C1CCCCNC1 4044747 [0,0,0,0,0,1|1,0,0]=2 128 B10R1.348 NC(=S)N1CCCCCC1 4009987 [0,0,0,0,0,1|2,1,0]=4 129 B7R0.4 CCCCCC(=N)N 4012907 [1,0,1,0,0,0|2,0,0]=4 130 B7R0.4 CCCCCC(=N)N 4088605 [1,0,1,0,0,0|2,0,0]=4 131 B7R0.4 CCCOCC(=O)O 4020861 [1,0,1,0,0,0|1,0,0]=3 132 B7R0.4 CCCSCC(=O)O 4028731 [1,0,1,0,0,0|1,0,0]=3 133 B7R0.4 CCSCCC(=O)O 4028457 [1,0,1,0,0,0|1,0,0]=3 134 B7R0.3 CCCNC(C)CO 4027950 [1,0,1,0,0,0|1,0,1]=4 135 B7R0.5 CCNC(C)C(N)=O 4030069 [1,0,1,0,0,0|2,0,0]=4 136 B7R0.5 CCNC(C)C(N)=O 4089759 [1,0,1,0,0,0|2,0,0]=4 137 B7R0.5 CCOC(C)C(=O)O 4020873 [1,0,1,0,0,0|1,0,0]=3 138 B7R0.5 CCSC(C)C(=O)O 4028492 [1,0,1,0,0,0|1,0,0]=3 139 B7R0.5 CNCC(C)C(=O)O 4043069 [1,0,1,0,0,0|1,0,0]=3 140 B7R0.15 CCC(NC)C(N)=O 4029111 [1,0,1,0,0,0|2,0,0]=4 141 B7R0.15 CCC(OC)C(=O)O 4020880 [1,0,1,0,0,0|1,0,0]=3 142 B7R1.3 BrC1CCCOC1 4032123 [2,0,0,0,0,0|2,0,0]=4 143 B7R1.3 NC1CCCOC1 4018204 [2,0,0,0,0,0|2,0,0]=4 144 B7R1.3 O=C1CCCSC1 4021743 [2,0,0,0,0,0|1,0,1]=4 145 B9R0.2 COCCCCCC(=O)O 4021515 [0,1,1,0,0,0|0,0,0]=2 146 B9R0.4 CCCCC(N)CC(=O)O 4012458 [0,1,1,0,0,0|0,0,0]=2 147 B9R0.4 COCCN(C)CC(=O)O 4017705 [0,1,1,0,0,0|2,0,0]=4 148 B9R0.4 COCCN(C)CC(=O)O 4088892 [0,1,1,0,0,0|2,0,0]=4 149 B9R0.4 COCCN(C)CC(=O)O 4091213 [0,1,1,0,0,0|2,0,0]=4 150 B9R0.42 CCC(=O)NC(C)C(=O)O 4026814 [0,1,1,0,0,0|1,0,1]=4 151 B9R0.42 CCN(C)CC(C)C(=O)O 4027257 [0,1,1,0,0,0|1,0,0]=3 152 B9R0.42 CCN(C)CC(C)C(=O)O 4088844 [0,1,1,0,0,0|1,0,0]=3 153 B9R0.12 CCOC(CC)C(=O)NN 4024080 [0,1,1,0,0,0|2,0,0]=4 154 B9R0.12 CCOC(CC)C(=O)NN 4089339 [0,1,1,0,0,0|2,0,0]=4 155 B9R0.29 CCC(C(=O)O)N(C)CC 4028284 [0,1,1,0,0,0|1,0,0]=3 156 B9R1.1 CN1CCC(C=O)CC1 4017912 [1,1,0,0,0,0|1,0,0]=3 157 B9R1.1 CN1CCC(CO)CC1 4002191 [1,1,0,0,0,0|1,0,1]=4 158 B9R1.1 CO[C@H]1CC[C@H](N)CC1 4048210 [1,1,0,0,0,0|2,0,0]=4 159 B9R1.2 C=CC1CCCN(C)C1 4064832 [1,1,0,0,0,0|2,0,0]=4 160 B9R1.8 CNCC1CCCCC1 4028444 [1,1,0,0,0,0|1,0,1]=4 161 B9R1.8 COCC1CCCCN1 4002970 [1,1,0,0,0,0|1,0,1]=4 162 B9R1.8 COCC1CCCNC1 4002971 [1,1,0,0,0,0|1,0,1]=4 163 B9R1.8 COCC1CCNCC1 4002972 [1,1,0,0,0,0|1,0,1]=4 164 B9R1.8 NCCC1CCCCC1 4005014 [1,1,0,0,0,0|1,0,1]=4 165 B9R1.8 NCCC1CCCCC1 4089549 [1,1,0,0,0,0|1,0,1]=4 166 B9R1.8 OCCC1CCCCO1 4016654 [1,1,0,0,0,0|1,0,1]=4 167 B9R1.15 NN[C@@H]1CCCC[C@H]1O 4108163 [1,1,0,0,0,0|2,0,0]=4 168 B9R1.15 OC[C@H]1CCNC[C@@H]1O 4038678 [1,1,0,0,0,0|1,0,1]=4 169 B9R1.15 OC[C@H]1CCNC[C@H]1O 4037459 [1,1,0,0,0,0|1,0,1]=4 170 B9R1.118 CC1(C=O)CCOCC1 4020982 [1,1,0,0,0,0|1,0,0]=3 171 B9R1.118 CC1(CN)CCCCC1 4043142 [1,1,0,0,0,0|1,0,1]=4 172 B9R1.118 CC1(CO)CCCNC1 4017648 [1,1,0,0,0,0|1,0,1]=4 173 B9R1.118 CC1(CO)CCNCC1 4040917 [1,1,0,0,0,0|1,0,1]=4 174 B9R1.118 N#CC1(N)CCCCC1 4036030 [1,1,0,0,0,0|1,0,1]=4 175 B9R1.118 NC1(CO)CCCCC1 4032526 [1,1,0,0,0,0|0,0,1]=3 176 B9R1.118 OCC1(O)CCCNC1 4037691 [1,1,0,0,0,0|1,0,1]=4 177 B9R1.118 OCC1(O)CCNCC1 4036996 [1,1,0,0,0,0|1,0,1]=4 178 B9R1.11 CCC(=O)C1CCCC1 4026118 [0,1,0,0,1,0|1,0,0]=3 179 B9R1.11 CNC(=O)C1CCNC1 4108211 [0,1,0,0,1,0|2,0,0]=4 180 B9R1.11 CNC(=O)[C@@H]1CCCN1 4045592 [0,1,0,0,1,0|2,0,0]=4 181 B9R1.11 CNC(=O)[C@H]1CCCN1 4084126 [0,1,0,0,1,0|2,0,0]=4 182 B9R1.11 NCC(=O)N1CCCC1 4019877 [0,1,0,0,1,0|2,0,0]=4 183 B9R1.11 NNC(=O)C1CCCC1 3014983 [0,1,0,0,1,0|1,0,0]=3 184 B9R1.35 CN1CCC(C(=O)O)C1 4003798 [0,1,0,0,1,0|1,0,0]=3 185 B9R1.35 CN1CCC(C(=O)O)C1 4087795 [0,1,0,0,1,0|1,0,0]=3 186 B9R1.35 O=C1CC(C(=O)O)CN1 4002892 [0,1,0,0,1,0|1,0,1]=4 187 B9R1.41 CN1CCC[C@H]1C(=O)O 4030671 [0,1,0,0,1,0|1,0,0]=3 188 B9R1.41 CN1CSC[C@H]1C(=O)O 4035601 [0,1,0,0,1,0|2,0,0]=4 189 B9R1.41 C[C@@H]1OCC[C@H]1C(=O)O 4085092 [0,1,0,0,1,0|1,0,0]=3 190 B9R1.163 CC1(C(=O)O)CCCC1 4043330 [0,1,0,0,1,0|0,0,0]=2 191 B9R1.163 CC1(C(=O)O)CCCN1 4039700 [0,1,0,0,1,0|1,0,0]=3 192 B9R1.163 CC1(C(=O)O)CCCO1 4018168 [0,1,0,0,1,0|1,0,0]=3 193 B9R1.163 CC1(C(=O)O)CCNC1 4031237 [0,1,0,0,1,0|1,0,0]=3 194 B9R1.163 C[C@]1(C(=O)O)CCCN1 4142037 [0,1,0,0,1,0|1,0,0]=3 195 B9R1.163 O=C(O)C1(O)CCCC1 4030817 [0,1,0,0,1,0|0,0,0]=2 196 B11R1.20 CC1CCN(CC(=O)O)CC1 4013123 [0,1,0,0,0,1|1,0,0]=3 197 B11R1.20 CN1CCC(=CC(=O)O)CC1 4012225 [0,1,0,0,0,1|1,0,1]=4 198 B11R1.20 CN1CCC(CC(=O)O)CC1 4012221 [0,1,0,0,0,1|1,0,0]=3 199 B11R1.20 NC(=O)CN1CCC(N)CC1 4030669 [0,1,0,0,0,1|2,0,0]=4 200 B11R1.20 NC1CCN(CC(=O)O)CC1 4028531 [0,1,0,0,0,1|1,0,0]=3 201 B11R1.20 O=C(O)CC1CCC(=O)CC1 4018513 [0,1,0,0,0,1|0,0,1]=3 202 B11R1.20 O=C(O)CN1CCC(O)CC1 4013612 [0,1,0,0,0,1|1,0,0]=3 203 B11R1.36 CC(C(=O)O)C1CCCCC1 4040626 [0,1,0,0,0,1|0,0,0]=2 204 B11R1.36 CC(C(=O)O)C1CCNCC1 4026200 [0,1,0,0,0,1|1,0,0]=3 205 B11R1.36 CC(C(=O)O)N1CCCCC1 4401703 [0,1,0,0,0,1|1,0,0]=3 206 B11R1.36 CC(C(=O)O)N1CCNCC1 4039726 [0,1,0,0,0,1|2,0,0]=4 207 B11R1.36 CC(C(=O)O)N1CCNCC1 4088114 [0,1,0,0,0,1|2,0,0]=4 208 B11R1.36 CC(C(=O)O)N1CCOCC1 4401154 [0,1,0,0,0,1|2,0,0]=4 209 B11R1.36 O=C(O)C(=O)N1CCCCC1 4030610 [0,1,0,0,0,1|1,0,0]=3 210 B11R1.36 O=C(O)C(=O)N1CCOCC1 4027601 [0,1,0,0,0,1|2,0,0]=4 211 B11R1.40 CNC(=O)CC1CCNCC1 4032563 [0,1,0,0,0,1|2,0,0]=4 212 B11R1.40 COC(=O)CN1CCNCC1 4035679 [0,1,0,0,0,1|2,0,0]=4 213 B11R1.40 NNC(=O)CC1CCCCC1 3015016 [0,1,0,0,0,1|1,0,0]=3 214 B11R1.40 O=C(CBr)NC1CCCCC1 4023679 [0,1,0,0,0,1|1,0,0]=3 215 B11R1.40 O=C(CCl)NC1CCCCC1 3015663 [0,1,0,0,0,1|1,0,0]=3 216 B11R1.86 CC(=O)CN1CCCCC1C 4028609 [0,1,0,0,0,1|2,0,0]=4 217 B11R1.86 CC1CCCCN1CC(=O)O 4017722 [0,1,0,0,0,1|1,0,0]=3 218 B11R1.86 O=C(O)CN1CCCCC1=O 4010683 [0,1,0,0,0,1|1,0,1]=4 219 B11R1.157 CC(=O)CN1CCCC(C)C1 4026786 [0,1,0,0,0,1|2,0,0]=4 220 B11R1.157 CC1CCCN(CC(=O)O)C1 4017723 [0,1,0,0,0,1|1,0,0]=3 221 B11R1.928 NC1(CC(=O)O)CCOCC1 4045566 [0,1,0,0,0,1|1,0,0]=3 222 B11R1.143 CN1CCCCCC1C(=O)O 4090593 [0,1,0,0,0,1|0,0,0]=2 223 B11R1.143 CN1CCCCCC1C(=O)O 4400179 [0,1,0,0,0,1|0,0,0]=2 224 B11R1.497 CC(=O)N1CCNCC(O)C1 4085337 [0,1,0,0,0,1|2,0,0]=4 225 B11R1.737 NC(=O)C1(N)CCCCCC1 4043046 [0,1,0,0,0,1|1,0,0]=3 226 B11R1.852 COC(=O)C1CNCCOC1 4038104 [0,1,0,0,0,1|1,0,0]=3 227 B11R1.3 CC(=O)N1CCC(CN)CC1 4011924 [0,2,0,0,0,0|2,0,0]=4 228 B11R1.3 CCN1CCC(C(=O)O)CC1 4002076 [0,2,0,0,0,0|1,0,0]=3 229 B11R1.21 CN1CC(C(=O)O)CCC1=O 4015793 [0,2,0,0,0,0|1,0,1]=4 230 B11R1.22 CCC(=O)N1CCC(N)CC1 4031192 [0,2,0,0,0,0|2,0,0]=4 231 B11R1.22 CN1CCC(C(=O)NN)CC1 4029777 [0,2,0,0,0,0|2,0,0]=4 232 B11R1.220 CN1CCC(C)(C(=O)O)CC1 4016670 [0,2,0,0,0,0|1,0,0]=3 233 B11R1.220 CN1CCC(N)(C(=O)O)CC1 4043695 [0,2,0,0,0,0|1,0,0]=3 234 B11R1.220 CN1CCC(O)(C(=O)O)CC1 4472559 [0,2,0,0,0,0|1,0,0]=3 235 B11R1.16 CCCC(=O)C1CCNCC1 4026121 [0,2,0,0,0,0|2,0,0]=4 236 B11R1.23 COC(=O)N1CCCC(O)C1 4029705 [0,2,0,0,0,0|1,0,0]=3 237 B11R1.222 COC(=O)[C@H]1CNCC[C@H]1O 4110566 [0,2,0,0,0,0|1,0,0]=3 238 B11R1.222 COC(=O)[C@H]1NCCO[C@@H]1C 4038864 [0,2,0,0,0,0|2,0,0]=4 239 B11R1.878 CNC(=O)C1(C)CCCNC1 4045216 [0,2,0,0,0,0|2,0,0]=4 240 B11R1.878 CNC(=O)C1(C)CCNCC1 4044685 [0,2,0,0,0,0|2,0,0]=4 241 B11R1.878 CNC(=O)C1(N)CCCCC1 4043318 [0,2,0,0,0,0|1,0,0]=3 242 B11R1.878 COC(=O)C1(C)CCCCN1 4045003 [0,2,0,0,0,0|1,0,0]=3 243 B11R1.878 COC(=O)C1(C)CCCNC1 4042842 [0,2,0,0,0,0|1,0,0]=3 244 B11R1.878 COC(=O)C1(C)CCNCC1 4042982 [0,2,0,0,0,0|1,0,0]=3 245 B11R1.878 COC(=O)C1(O)CCNCC1 4045351 [0,2,0,0,0,0|1,0,0]=3 246 B11R1.53 CCN1CCCCC1C(=O)O 4002075 [0,2,0,0,0,0|1,0,0]=3 247 B11R1.167 CN1CC[C@@H](O)[C@H](C(=O)O)C1 4088567 [0,2,0,0,0,0|1,0,0]=3 248 B11R1.167 CN1CC[C@H](O)[C@H](C(=O)O)C1 4009742 [0,2,0,0,0,0|1,0,0]=3 249 B11R1.266 CC(=O)N1CCCC(CN)C1 4011882 [0,2,0,0,0,0|2,0,0]=4 250 B11R1.266 CCN1CCCC(C(=O)O)C1 4002077 [0,2,0,0,0,0|1,0,0]=3 251 B11R1.1074 CCC1(C(=O)O)CCCCN1 4040194 [0,2,0,0,0,0|1,0,0]=3 252 B11R1.1074 CCC1(C(=O)O)CCCNC1 4042649 [0,2,0,0,0,0|1,0,0]=3 253 B11R1.1074 CCC1(C(=O)O)CCNCC1 4029136 [0,2,0,0,0,0|1,0,0]=3 254 B11R1.1074 CCC1(C(N)=O)CCCNC1 4045463 [0,2,0,0,0,0|2,0,0]=4 255 B11R1.1074 CCC1(C(N)=O)CCNCC1 4030410 [0,2,0,0,0,0|2,0,0]=4 256 B11R1.1074 N#CC1(C(=O)O)CCOCC1 4044591 [0,2,0,0,0,0|1,0,0]=3 257 B11R1.1074 O=C(O)C1(CO)CCOCC1 4031023 [0,2,0,0,0,0|1,0,0]=3 258 B9R1.7 CNCC1CCC(=O)N1 4111539 [0,0,1,1,0,0|2,0,0]=4 259 B9R1.13 O=C(O)CC1CCCN1 4004817 [0,0,1,1,0,0|1,0,0]=3 260 B9R1.13 O=C(O)CC1CCOC1 4004832 [0,0,1,1,0,0|1,0,0]=3 261 B9R1.13 O=C(O)CN1CCCC1 4088005 [0,0,1,1,0,0|1,0,0]=3 262 B9R1.13 O=C(O)CN1CCCC1 4401694 [0,0,1,1,0,0|1,0,0]=3 263 B9R1.48 CC1CCCCC(=O)N1 4085312 [0,0,1,1,0,0|1,0,0]=3 264 B9R1.84 O=C(O)CCC1CCC1 4030352 [0,0,1,1,0,0|0,0,0]=2 265 B9R1.85 O=C(O)CSCC1CC1 4028705 [0,0,1,1,0,0|1,0,0]=3 266 B9R1.33 NCCN1CCOC1=O 4012055 [0,0,1,1,0,0|2,0,0]=4 267 B9R1.119 NC(=O)C1(CO)CCC1 4028978 [0,0,1,1,0,0|2,0,0]=4 268 B9R1.179 COCC1(C(=O)O)CC1 4029149 [0,0,1,1,0,0|1,0,0]=3 269 B9R2.56 OC[C@]12CNC[C@H]1C2 4042320 [1,0,0,1,0,0|1,0,1]=4 270 B9R2.68 [C@H]12CCC[C@H](C1)NC2 4101829 [1,0,0,1,0,0|1,0,1]=4 271 B11R2.433 O=C1CN2CCC(CC2)N1 4027015 [0,0,0,1,0,1|2,0,0]=4 272 B11R2.703 O=C1CC2(CCCCC2)C1 4040200 [0,0,0,1,0,1|1,0,0]=3 273 B11R2.824 O=C(O)[C@H]1[C@@H]2CC[C@H]1CN2 4042413 [0,0,0,1,0,1|1,0,0]=3 274 B11R2.48 O=C1N[C@H]2CC[C@@H]1CNC2 4045254 [0,0,0,1,0,1|1,0,0]=3 275 B11R2.1 O=C1OCC2CNCCN12 4042553 [0,1,0,1,0,0|2,0,0]=4 276 B11R2.905 COC(=O)[C@@H]1[C@H]2CNC[C@H]21 4042300 [0,1,0,1,0,0|1,0,0]=3 277 B11R2.905 COC(=O)[C@H]1[C@H]2CNC[C@H]21 4051039 [0,1,0,1,0,0|1,0,0]=3 278 B11R2.845 CC(=O)C1CC2CCC1C2 3018453 [0,1,0,1,0,0|1,0,0]=3 279 B11R2.845 O=C(O)[C@@H]1C[C@@H]2CC[C@H]1O2 4066258 [0,1,0,1,0,0|0,0,0]=2 280 B11R2.845 O=C(O)[C@H]1C[C@@H]2C=C[C@H]1C2 4401438 [0,1,0,1,0,0|0,0,2]=4 281 B11R2.845 O=C(O)[C@H]1C[C@@H]2CC[C@H]1O2 4073739 [0,1,0,1,0,0|0,0,0]=2 282 B11R2.845 O=C(O)[C@H]1C[C@H]2CC[C@@H]1N2 4038019 [0,1,0,1,0,0|0,0,0]=2 283 B7R1.1 C=CC1CCNC1 4051562 [1,0,0,0,1,0|2,0,0]=4 284 B7R1.1 NCC1CCCC1 4018103 [1,0,0,0,1,0|1,0,1]=4 285 B7R1.1 NCC1CCCC1 4110554 [1,0,0,0,1,0|1,0,1]=4 286 B7R1.1 OCC1CCNC1 4003674 [1,0,0,0,1,0|1,0,1]=4 287 B9R1.89 CCC1CCCNCC1 4042576 [1,0,0,0,0,1|1,0,1]=4 288 B9R1.89 CNC1CCCCCC1 4027537 [1,0,0,0,0,1|2,0,0]=4 289 B9R1.89 O=CN1CCCNCC1 3002895 [1,0,0,0,0,1|1,0,0]=3 290 B9R1.89 OCC1CCCCCN1 5510936 [1,0,0,0,0,1|0,0,1]=3 291 B9R1.89 OCC1CNCCOC1 4110356 [1,0,0,0,0,1|1,0,1]=4 292 B9R1.89 OCC1COCCOC1 4019740 [1,0,0,0,0,1|1,0,1]=4 293 B11R1.91 CC(=O)NCC1CCCNC1 4011177 [0,0,0,0,0,2|2,0,0]=4 294 B11R1.91 CC(=O)NCC1CCNCC1 4011179 [0,0,0,0,0,2|2,0,0]=4 295 B11R1.91 CC(=O)NCC1CCNCC1 4091059 [0,0,0,0,0,2|2,0,0]=4 296 B11R1.91 NC(=O)CCC1CCCNC1 4017498 [0,0,0,0,0,2|2,0,0]=4 297 B11R1.91 NC(=O)CCC1CCNCC1 4017497 [0,0,0,0,0,2|2,0,0]=4 298 B11R1.91 O=C(O)CCC1CCCCN1 4028109 [0,0,0,0,0,2|1,0,0]=3 299 B11R1.91 O=C(O)CCC1CCCNC1 4026834 [0,0,0,0,0,2|1,0,0]=3 300 B11R1.91 O=C(O)CCC1CCNCC1 4031110 [0,0,0,0,0,2|1,0,0]=3 301 B11R1.91 O=C(O)CCN1CCCCO1 4013266 [0,0,0,0,0,2|2,0,0]=4 302 B11R1.91 O=C(O)CCN1CCCCO1 4089631 [0,0,0,0,0,2|2,0,0]=4 303 B11R1.91 O=C(O)CCN1CCOCC1 4010141 [0,0,0,0,0,2|2,0,0]=4 304 B11R1.91 O=C(O)CNC1=NCCCC1 4039943 [0,0,0,0,0,2|1,0,1]=4 305 B11R1.91 O=C(O)COC1CCNCC1 4041091 [0,0,0,0,0,2|1,0,0]=3 306 B11R1.91 O=C(O)COC1CCNCC1 4090600 [0,0,0,0,0,2|1,0,0]=3 307 B11R1.742 CC(=O)CN1CCCCCC1 4027910 [0,0,0,0,0,2|2,0,0]=4 308 B11R1.742 CC(=O)CN1CCCCCC1 4090136 [0,0,0,0,0,2|2,0,0]=4 309 B11R1.742 O=C(O)CN1CCCCCC1 4013117 [0,0,0,0,0,2|1,0,0]=3