0 B6R0.1 C=CCC(O)CN 4080175 [0,0,0,0,0,0|1,0,2]=3 1 B6R0.1 CCC(C)CCN 4015078 [0,0,0,0,0,0|2,0,0]=2 2 B6R0.1 CCC(O)CNN 4030953 [0,0,0,0,0,0|2,0,0]=2 3 B6R0.1 CCCC(=O)NN 3002586 [0,0,0,0,0,0|2,0,2]=4 4 B6R0.1 CCCC(N)CC 4028240 [0,0,0,0,0,0|1,0,0]=1 5 B6R0.1 CCCC(N)CC 4088911 [0,0,0,0,0,0|1,0,0]=1 6 B6R0.1 CCC\C(N)=N\O 4030621 [0,0,0,0,0,0|3,0,1]=4 7 B6R0.1 CCC\C(N)=N\O 4089955 [0,0,0,0,0,0|3,0,1]=4 8 B6R0.1 CCNC(=O)CBr 4023688 [0,0,0,0,0,0|2,0,2]=4 9 B6R0.1 CCNC(C)CC 4024881 [0,0,0,0,0,0|2,0,0]=2 10 B6R0.1 CCNC(C)CC 4089770 [0,0,0,0,0,0|2,0,0]=2 11 B6R0.1 CCNC(C)CO 4027506 [0,0,0,0,0,0|3,0,0]=3 12 B6R0.1 CCOC(C)CN 4029821 [0,0,0,0,0,0|3,0,0]=3 13 B6R0.1 CNC(=O)CCCl 4027989 [0,0,0,0,0,0|2,0,2]=4 14 B6R0.1 CNC(=O)CCO 4035059 [0,0,0,0,0,0|2,0,2]=4 15 B6R0.1 CNC(C)CCO 4027121 [0,0,0,0,0,0|3,0,0]=3 16 B6R0.1 CNCC(=O)NC 4033340 [0,0,0,0,0,0|2,0,2]=4 17 B6R0.1 CNCC(C)OC 4031677 [0,0,0,0,0,0|3,0,0]=3 18 B6R0.1 COC(=O)CCO 4041011 [0,0,0,0,0,0|2,0,2]=4 19 B6R0.1 COC(C)CCN 4043534 [0,0,0,0,0,0|3,0,0]=3 20 B6R0.1 COCC(N)CO 4030437 [0,0,0,0,0,0|3,0,0]=3 21 B6R0.1 COCC(O)CN 4001723 [0,0,0,0,0,0|2,0,0]=2 22 B5R0.1 CC(N)CCO 4027026 [1,0,0,0,0,0|2,0,0]=3 23 B5R0.1 CC(O)CNN 4028962 [1,0,0,0,0,0|2,0,0]=3 24 B5R0.1 CNCC(C)O 4035012 [1,0,0,0,0,0|1,0,0]=2 25 B5R0.2 C#CCCCBr 4079721 [1,0,0,0,0,0|1,0,2]=4 26 B5R0.2 C#CCCCN 4063954 [1,0,0,0,0,0|1,0,2]=4 27 B5R0.2 C=CCCCN 4075680 [1,0,0,0,0,0|1,0,2]=4 28 B5R0.2 C=CCCNC 4110731 [1,0,0,0,0,0|1,0,2]=4 29 B5R0.2 CNCCSC 4036386 [1,0,0,0,0,0|2,0,0]=3 30 B5R0.2 COCCNN 4108243 [1,0,0,0,0,0|3,0,0]=4 31 B5R0.2 NNCCCO 4085333 [1,0,0,0,0,0|3,0,0]=4 32 B5R0.3 CC(CN)CO 4036254 [1,0,0,0,0,0|3,0,0]=4 33 B5R0.3 CC[C@@H](O)CN 4036900 [1,0,0,0,0,0|1,0,0]=2 34 B5R0.3 CNC(C)CO 4028640 [1,0,0,0,0,0|3,0,0]=4 35 B5R0.3 COC(C)CN 4031070 [1,0,0,0,0,0|3,0,0]=4 36 B5R0.3 COC(C)CO 4045600 [1,0,0,0,0,0|3,0,0]=4 37 B7R0.2 CC(CN)CN(C)C 4027503 [0,1,0,0,0,0|3,0,0]=4 38 B7R0.2 CC(CO)CN(C)C 4027873 [0,1,0,0,0,0|3,0,0]=4 39 B7R0.2 CCC(C)CC(=N)N 4012909 [0,1,0,0,0,0|2,0,1]=4 40 B7R0.2 CCC(C)CC(=N)N 4088237 [0,1,0,0,0,0|2,0,1]=4 41 B7R0.2 CCC(C)CC(C)=O 4031282 [0,1,0,0,0,0|1,0,1]=3 42 B7R0.2 CCC(N)CN(C)C 4026183 [0,1,0,0,0,0|2,0,0]=3 43 B7R0.2 CCN(C)CC(C)=O 4028374 [0,1,0,0,0,0|2,0,1]=4 44 B7R0.2 CCN(C)CC(C)=O 4088950 [0,1,0,0,0,0|2,0,1]=4 45 B7R0.2 CN(C)CC(O)CN 4030423 [0,1,0,0,0,0|2,0,0]=3 46 B7R0.2 CNC(C)CC(C)C 4027376 [0,1,0,0,0,0|2,0,0]=3 47 B7R0.2 CNC(C)CC(C)C 4089905 [0,1,0,0,0,0|2,0,0]=3 48 B7R0.3 CCC(=O)NCCN 4110359 [0,1,0,0,0,0|1,0,2]=4 49 B7R0.3 CCCNC(C)CO 4027950 [0,1,0,0,0,0|2,0,0]=3 50 B7R0.3 CCCOC(C)CN 4031060 [0,1,0,0,0,0|2,0,0]=3 51 B7R0.3 CCN(C)CCCCl 4032711 [0,1,0,0,0,0|2,0,0]=3 52 B7R0.3 CCN(C)CCCCl 4090852 [0,1,0,0,0,0|2,0,0]=3 53 B7R0.3 CCN(C)CCCO 4027001 [0,1,0,0,0,0|2,0,0]=3 54 B7R0.3 CCOCC(O)CN 4001724 [0,1,0,0,0,0|1,0,0]=2 55 B7R0.3 CNC(=O)CCCN 4030090 [0,1,0,0,0,0|1,0,2]=4 56 B7R0.3 CNCCC(=O)NC 4030744 [0,1,0,0,0,0|1,0,2]=4 57 B7R0.5 CC(C)N(C)CCN 4025252 [0,1,0,0,0,0|3,0,0]=4 58 B7R0.5 CC(CCN)N(C)C 4026896 [0,1,0,0,0,0|3,0,0]=4 59 B7R0.5 CC(CCO)N(C)C 4027250 [0,1,0,0,0,0|3,0,0]=4 60 B7R0.5 CCNC(=O)C(C)Cl 4028638 [0,1,0,0,0,0|1,0,2]=4 61 B7R0.7 CCCC(C)NCC 4024861 [0,1,0,0,0,0|1,0,0]=2 62 B7R0.7 CCNC(=O)CCCl 4027744 [0,1,0,0,0,0|1,0,2]=4 63 B7R0.7 CCNC(C)CCO 4027124 [0,1,0,0,0,0|2,0,0]=3 64 B7R0.7 CCOC(=O)CCO 4040900 [0,1,0,0,0,0|1,0,2]=4 65 B7R0.7 CCOC(C)CNC 4030660 [0,1,0,0,0,0|2,0,0]=3 66 B7R0.7 CN(CCN)CCO 4028518 [0,1,0,0,0,0|3,0,0]=4 67 B7R0.7 CNCC(O)COC 4035032 [0,1,0,0,0,0|1,0,0]=2 68 B7R0.10 CCC(N)C(=O)NC 4033837 [0,1,0,0,0,0|1,0,2]=4 69 B7R0.10 CCN(C)C(C)CO 4027973 [0,1,0,0,0,0|3,0,0]=4 70 B7R0.11 CCNC(C)(C)CO 4029235 [0,1,0,0,0,0|3,0,0]=4 71 B7R0.11 CCNC(C)(C)CO 4087910 [0,1,0,0,0,0|3,0,0]=4 72 B7R0.11 CCS(=O)(=O)CCN 4033794 [0,1,0,0,0,0|2,0,1]=4 73 B7R0.11 CNC(C)(C)COC 4027390 [0,1,0,0,0,0|3,0,0]=4 74 B7R0.11 CNCC(C)(C)CO 4025868 [0,1,0,0,0,0|3,0,0]=4 75 B7R0.11 COC(C)(C)CCN 4021563 [0,1,0,0,0,0|3,0,0]=4 76 B7R0.11 COCC(C)(C)CN 4028135 [0,1,0,0,0,0|3,0,0]=4 77 B7R0.12 CCOC(CC)CN 4031082 [0,1,0,0,0,0|2,0,0]=3 78 B7R0.12 CCOC(CC)CN 4091080 [0,1,0,0,0,0|2,0,0]=3 79 B7R1.1 BrCC1CCOC1 4037584 [0,0,0,1,0,0|3,0,0]=4 80 B7R1.1 CCC1C=CCN1 4030606 [0,0,0,1,0,0|1,0,2]=4 81 B7R1.1 CCC1CCNC1 4018760 [0,0,0,1,0,0|2,0,0]=3 82 B7R1.1 COC1CCNC1 4029717 [0,0,0,1,0,0|3,0,0]=4 83 B7R1.1 NCC1CCCC1 4018103 [0,0,0,1,0,0|2,0,0]=3 84 B7R1.1 NCC1CCCC1 4110554 [0,0,0,1,0,0|2,0,0]=3 85 B7R1.1 NCC1CCOC1 4037969 [0,0,0,1,0,0|3,0,0]=4 86 B7R1.1 OCC1CCNC1 4003674 [0,0,0,1,0,0|3,0,0]=4 87 B7R1.2 CC1CNC(=O)C1 4026755 [0,0,0,1,0,0|1,0,2]=4 88 B7R1.2 CN1CCC(N)C1 4035974 [0,0,0,1,0,0|2,0,0]=3 89 B7R1.2 N[C@@H]1CC[C@H](O)C1 4037758 [0,0,0,1,0,0|1,0,0]=2 90 B7R1.3 BrC1CCCOC1 4032123 [0,0,0,1,0,0|2,0,0]=3 91 B7R1.3 CC1CNCCO1 4019021 [0,0,0,1,0,0|3,0,0]=4 92 B7R1.3 C[C@@H]1COCCN1 4037047 [0,0,0,1,0,0|3,0,0]=4 93 B7R1.3 C[C@H]1CNCCO1 4038541 [0,0,0,1,0,0|3,0,0]=4 94 B7R1.3 NC1CCCOC1 4018204 [0,0,0,1,0,0|2,0,0]=3 95 B7R1.3 O=C1CCCSC1 4021743 [0,0,0,1,0,0|1,0,2]=4 96 B7R1.4 N[C@H]1COC[C@@H]1O 4034126 [0,0,0,1,0,0|2,0,0]=3 97 B7R1.4 O[C@@H]1CNC[C@H]1F 4068804 [0,0,0,1,0,0|2,0,0]=3 98 B7R1.4 O[C@@H]1CNC[C@H]1O 4034532 [0,0,0,1,0,0|2,0,0]=3 99 B7R1.6 CNCC1CCC1 4031455 [0,0,0,1,0,0|2,0,0]=3 100 B7R1.6 N#CCC1CCC1 4031421 [0,0,0,1,0,0|2,0,1]=4 101 B7R1.6 NCCC1CCC1 4036646 [0,0,0,1,0,0|2,0,0]=3 102 B7R1.10 CCN1CC(O)C1 4042847 [0,0,0,1,0,0|3,0,0]=4 103 B7R1.10 CN1CC(CN)C1 4039121 [0,0,0,1,0,0|3,0,0]=4 104 B7R1.21 CCCC1(N)CC1 4021536 [0,0,0,1,0,0|1,0,0]=2 105 B7R1.22 CCC(N)C1CC1 4044918 [0,0,0,1,0,0|1,0,0]=2 106 B7R1.22 OC(CBr)C1CC1 4047731 [0,0,0,1,0,0|1,0,0]=2 107 B7R1.25 CC1(CN)COC1 4003584 [0,0,0,1,0,0|3,0,0]=4 108 B7R1.25 CC1(CO)CSC1 4048667 [0,0,0,1,0,0|3,0,0]=4 109 B4R0.2 CCCNN 4085300 [2,0,0,0,0,0|2,0,0]=4 110 B6R0.3 CC(C)C(O)CN 4038941 [1,1,0,0,0,0|2,0,0]=4 111 B6R0.3 CNC(C)C(C)C 4027192 [1,1,0,0,0,0|2,0,0]=4 112 B6R0.4 CC(C)SCCN 4012669 [1,1,0,0,0,0|2,0,0]=4 113 B6R0.4 CC(C)SCCN 4089980 [1,1,0,0,0,0|2,0,0]=4 114 B6R0.4 CNCCC(=O)O 4036102 [1,1,0,0,0,0|1,0,1]=4 115 B6R0.4 COCCC(C)=O 4022132 [1,1,0,0,0,0|0,0,2]=4 116 B6R0.5 CC(C)(O)CCCl 4047844 [1,1,0,0,0,0|1,0,0]=3 117 B6R0.5 CC(C)(O)CCN 4044047 [1,1,0,0,0,0|1,0,0]=3 118 B6R0.5 CC(C)(O)CNN 4085384 [1,1,0,0,0,0|2,0,0]=4 119 B6R0.5 CNCC(C)(C)C 4017477 [1,1,0,0,0,0|2,0,0]=4 120 B6R0.5 CNCC(C)(C)O 4085463 [1,1,0,0,0,0|1,0,0]=3 121 B6R0.5 COCC(C)(C)N 4017683 [1,1,0,0,0,0|2,0,0]=4 122 B6R0.6 C=CCCCCN 4067494 [1,1,0,0,0,0|0,0,2]=4 123 B6R0.6 C=CCNCCC 4031693 [1,1,0,0,0,0|0,0,2]=4 124 B6R0.6 CCCSCCN 4033597 [1,1,0,0,0,0|1,0,0]=3 125 B6R0.6 CCCSCCN 4089004 [1,1,0,0,0,0|1,0,0]=3 126 B6R0.6 CCOCCNC 4030249 [1,1,0,0,0,0|1,0,0]=3 127 B6R0.6 CNCCCOC 4021520 [1,1,0,0,0,0|1,0,0]=3 128 B6R0.6 FCCCCCBr 4041608 [1,1,0,0,0,0|1,0,0]=3 129 B6R0.8 CCC(C)(N)CC 4035688 [1,1,0,0,0,0|1,0,0]=3 130 B6R0.9 CCC(CC)CN 4034714 [1,1,0,0,0,0|1,0,0]=3 131 B6R0.9 CCC(CC)NC 4027066 [1,1,0,0,0,0|1,0,0]=3 132 B6R0.9 CCC(CC)NC 4090629 [1,1,0,0,0,0|1,0,0]=3 133 B6R0.9 CCC(CN)OC 4031411 [1,1,0,0,0,0|1,0,0]=3 134 B8R0.19 CCN(C)CC(C)CN 4028082 [0,2,0,0,0,0|2,0,0]=4 135 B8R0.3 CCCC(N)C(=O)NC 4042706 [0,2,0,0,0,0|1,0,1]=4 136 B8R0.3 CCC[C@@H](N)C(=O)OC 4107426 [0,2,0,0,0,0|1,0,1]=4 137 B8R0.3 CCN(C)C(C)CCN 4027132 [0,2,0,0,0,0|2,0,0]=4 138 B8R0.6 C\C=C\CNC(C)CC 4030326 [0,2,0,0,0,0|1,0,1]=4 139 B8R0.6 C\C=C\CNC(C)CC 4088628 [0,2,0,0,0,0|1,0,1]=4 140 B8R0.8 CCCNC(=O)C(C)Cl 4027198 [0,2,0,0,0,0|0,0,2]=4 141 B8R0.8 CCCNC(C)C(C)C 4024851 [0,2,0,0,0,0|1,0,0]=3 142 B8R0.8 CCCNC(C)C(C)C 4088422 [0,2,0,0,0,0|1,0,0]=3 143 B8R0.11 CCCNC(CC)CC 4024896 [0,2,0,0,0,0|1,0,0]=3 144 B8R0.11 CCCNC(CC)CC 4088634 [0,2,0,0,0,0|1,0,0]=3 145 B8R0.25 CCS(=O)(=O)CCNC 4039868 [0,2,0,0,0,0|1,0,1]=4 146 B8R0.15 CCCC(CN)N(C)C 4028602 [0,2,0,0,0,0|2,0,0]=4 147 B8R0.15 CCCC(NC)C(=O)O 4044041 [0,2,0,0,0,0|1,0,0]=3 148 B8R0.20 CCC(CN)N(C)CC 4028573 [0,2,0,0,0,0|2,0,0]=4 149 B6R1.2 NC1CCOC1 4003522 [1,0,0,1,0,0|2,0,0]=4 150 B6R1.2 OC1CNOC1 4044152 [1,0,0,1,0,0|2,0,0]=4 151 B6R1.3 CCNC1CC1 4110570 [1,0,0,1,0,0|2,0,0]=4 152 B6R1.3 CNCC1CC1 4033531 [1,0,0,1,0,0|2,0,0]=4 153 B6R1.5 N[C@H]1C[C@@H](O)C1 4054153 [1,0,0,1,0,0|1,0,0]=3 154 B6R1.5 N[C@H]1C[C@H](O)C1 4046339 [1,0,0,1,0,0|1,0,0]=3 155 B6R1.10 CC1(N)CCC1 4042856 [1,0,0,1,0,0|1,0,0]=3 156 B6R1.11 CC(N)C1CC1 4004109 [1,0,0,1,0,0|1,0,0]=3 157 B6R1.11 CC(N)C1CC1 4088031 [1,0,0,1,0,0|1,0,0]=3 158 B6R1.1 C1CCONC1 4013260 [1,0,0,1,0,0|2,0,0]=4 159 B6R1.6 NCC1CCC1 4003518 [1,0,0,1,0,0|1,0,0]=3 160 B6R1.7 CCC1(N)CC1 4021535 [1,0,0,1,0,0|1,0,0]=3 161 B8R1.1 CC1=NOC(CN)C1 4010754 [0,1,0,1,0,0|1,0,1]=4 162 B8R1.1 CCN1CCC(N)C1 4035338 [0,1,0,1,0,0|1,0,0]=3 163 B8R1.1 CN1CCC(CBr)C1 4044199 [0,1,0,1,0,0|2,0,0]=4 164 B8R1.1 CN1CCC(CCl)C1 4018173 [0,1,0,1,0,0|2,0,0]=4 165 B8R1.1 CN1CCC(CN)C1 4003800 [0,1,0,1,0,0|2,0,0]=4 166 B8R1.1 CN1CCC(CO)C1 4003799 [0,1,0,1,0,0|1,0,0]=3 167 B8R1.1 O=C1CCC(CBr)O1 4085450 [0,1,0,1,0,0|1,0,1]=4 168 B8R1.4 CC1CCCC(=O)N1 4027532 [0,1,0,1,0,0|0,0,2]=4 169 B8R1.4 CC1CN(C)CCN1 4050805 [0,1,0,1,0,0|2,0,0]=4 170 B8R1.4 CN1CCCC(N)C1 4004054 [0,1,0,1,0,0|1,0,0]=3 171 B8R1.4 C[C@@H]1CN(C)CCN1 4066708 [0,1,0,1,0,0|2,0,0]=4 172 B8R1.4 C[C@H]1CN(C)CCN1 4004800 [0,1,0,1,0,0|2,0,0]=4 173 B8R1.4 N[C@@H]1CCC[C@@H](O)C1 4039538 [0,1,0,1,0,0|0,0,0]=2 174 B8R1.4 N[C@H]1CCC[C@@H](O)C1 4037289 [0,1,0,1,0,0|0,0,0]=2 175 B8R1.18 CN1C[C@@H](N)[C@H](O)C1 4056916 [0,1,0,1,0,0|1,0,0]=3 176 B8R1.42 CC(=O)CC1(C)CC1 4002837 [0,1,0,1,0,0|1,0,1]=4 177 B8R1.42 CC(C)CC1(N)CC1 4021537 [0,1,0,1,0,0|1,0,0]=3 178 B8R1.51 CC1(C)CCC(=O)C1 4042132 [0,1,0,1,0,0|0,0,2]=4 179 B8R1.51 CC1CCC(C)(C)N1 4108245 [0,1,0,1,0,0|2,0,0]=4 180 B8R1.51 CC1CNC(C)(C)C1 4044904 [0,1,0,1,0,0|2,0,0]=4 181 B8R1.51 O=S1(=O)CCC(O)C1 4030368 [0,1,0,1,0,0|2,0,0]=4 182 B8R1.2 BrCC1CCCOC1 4046211 [0,1,0,1,0,0|1,0,0]=3 183 B8R1.2 C=CC1CCCNC1 4108333 [0,1,0,1,0,0|2,0,0]=4 184 B8R1.2 C=CC1CCNCC1 4062882 [0,1,0,1,0,0|2,0,0]=4 185 B8R1.2 CCC1CCCNC1 4018855 [0,1,0,1,0,0|1,0,0]=3 186 B8R1.2 CCC1CCNCC1 4004580 [0,1,0,1,0,0|1,0,0]=3 187 B8R1.2 CCC1CCNCC1 4110368 [0,1,0,1,0,0|1,0,0]=3 188 B8R1.2 CCC1CNCCN1 4029768 [0,1,0,1,0,0|1,0,0]=3 189 B8R1.2 CCC1CNCCO1 4018983 [0,1,0,1,0,0|0,0,0]=2 190 B8R1.2 CCC1COCCN1 4021665 [0,1,0,1,0,0|1,0,0]=3 191 B8R1.2 CCC1COCCN1 4087890 [0,1,0,1,0,0|1,0,0]=3 192 B8R1.2 CNC1CCOCC1 4003545 [0,1,0,1,0,0|2,0,0]=4 193 B8R1.2 CNC1CCSCC1 4036158 [0,1,0,1,0,0|2,0,0]=4 194 B8R1.2 COC1CCCNC1 4002969 [0,1,0,1,0,0|1,0,0]=3 195 B8R1.2 COC1CCCNC1 4087774 [0,1,0,1,0,0|1,0,0]=3 196 B8R1.2 COC1CCCNC1 4088818 [0,1,0,1,0,0|1,0,0]=3 197 B8R1.2 COC1CCNCC1 4002968 [0,1,0,1,0,0|1,0,0]=3 198 B8R1.2 COC1CCNCC1 4088815 [0,1,0,1,0,0|1,0,0]=3 199 B8R1.2 ClCC1COCCO1 4015243 [0,1,0,1,0,0|1,0,0]=3 200 B8R1.2 N#CC1CCCNC1 4009818 [0,1,0,1,0,0|2,0,0]=4 201 B8R1.2 N#CC1CCNCC1 4009819 [0,1,0,1,0,0|2,0,0]=4 202 B8R1.2 N#CC1CCNCC1 4088035 [0,1,0,1,0,0|2,0,0]=4 203 B8R1.2 N#CC1CCOCC1 4026815 [0,1,0,1,0,0|2,0,0]=4 204 B8R1.2 N#CC1COCCO1 4063365 [0,1,0,1,0,0|1,0,1]=4 205 B8R1.2 NCC1CCCCO1 4087791 [0,1,0,1,0,0|1,0,0]=3 206 B8R1.2 NCC1CCCOC1 4014028 [0,1,0,1,0,0|1,0,0]=3 207 B8R1.2 NCC1CCCOC1 4087864 [0,1,0,1,0,0|1,0,0]=3 208 B8R1.2 NCC1CCOCC1 4004281 [0,1,0,1,0,0|2,0,0]=4 209 B8R1.2 NCC1CCOCC1 4089498 [0,1,0,1,0,0|2,0,0]=4 210 B8R1.2 NCC1COCCO1 4101741 [0,1,0,1,0,0|1,0,0]=3 211 B8R1.2 OCC1CCCOC1 4027028 [0,1,0,1,0,0|1,0,0]=3 212 B8R1.2 OCC1CCOCC1 4027097 [0,1,0,1,0,0|1,0,0]=3 213 B8R1.2 OCC1COCCN1 4027853 [0,1,0,1,0,0|2,0,0]=4 214 B8R1.2 OCC1COCCO1 4015242 [0,1,0,1,0,0|1,0,0]=3 215 B8R1.3 CN1CCC(N)CC1 4003460 [0,1,0,1,0,0|1,0,0]=3 216 B8R1.3 O=C1CCC(O)CC1 4029093 [0,1,0,1,0,0|0,0,1]=3 217 B8R1.5 CC1CNCCN1C 4002085 [0,1,0,1,0,0|2,0,0]=4 218 B8R1.5 CC1CNCCN1C 4089459 [0,1,0,1,0,0|2,0,0]=4 219 B8R1.5 C[C@@H]1CNCCN1C 4062996 [0,1,0,1,0,0|2,0,0]=4 220 B8R1.5 C[C@H]1CNCCN1C 4069956 [0,1,0,1,0,0|2,0,0]=4 221 B8R1.5 C[C@H]1CNCC[C@@H]1O 4066771 [0,1,0,1,0,0|0,0,0]=2 222 B8R1.5 C[C@H]1CNCC[C@H]1O 4057248 [0,1,0,1,0,0|0,0,0]=2 223 B8R1.5 N[C@@H]1COCC[C@@H]1O 4091253 [0,1,0,1,0,0|1,0,0]=3 224 B8R1.5 N[C@@H]1COCC[C@H]1O 4080370 [0,1,0,1,0,0|1,0,0]=3 225 B8R1.5 N[C@H]1CCOC[C@@H]1O 4051506 [0,1,0,1,0,0|1,0,0]=3 226 B8R1.5 O[C@H]1CCNC[C@H]1O 4034770 [0,1,0,1,0,0|1,0,0]=3 227 B8R1.22 CC1CCCCCN1 4043402 [0,1,0,1,0,0|1,0,0]=3 228 B8R1.22 CC1CCCNCC1 4041336 [0,1,0,1,0,0|1,0,0]=3 229 B8R1.22 OC1CCCNCC1 4030734 [0,1,0,1,0,0|0,0,0]=2 230 B8R1.41 COCCC1(N)CC1 4021538 [0,1,0,1,0,0|1,0,0]=3 231 B8R1.50 N[C@@H]1CC[C@@H](O)[C@@H]1O 4059624 [0,1,0,1,0,0|1,0,0]=3 232 B8R1.50 N[C@@H]1CC[C@@H](O)[C@H]1O 4058999 [0,1,0,1,0,0|1,0,0]=3 233 B8R1.52 CC1(C#N)CCCO1 4027426 [0,1,0,1,0,0|1,0,1]=4 234 B8R1.52 CC1(CO)CCCN1 4040826 [0,1,0,1,0,0|2,0,0]=4 235 B8R1.52 CCC1(N)CCCC1 4017676 [0,1,0,1,0,0|1,0,0]=3 236 B8R1.7 CC(=O)C1CCCC1 4031395 [0,1,0,1,0,0|1,0,1]=4 237 B8R1.7 CC(=O)C1CCCO1 4075977 [0,1,0,1,0,0|0,0,1]=3 238 B8R1.7 CC(N)C1CCCC1 4040740 [0,1,0,1,0,0|1,0,0]=3 239 B8R1.19 CC1CCNC1(C)C 4044856 [0,1,0,1,0,0|2,0,0]=4 240 B8R1.6 NCC[C@H]1C[C@@H](O)C1 4078254 [0,1,0,1,0,0|2,0,0]=4 241 B8R1.8 BrCCC1CCOC1 4038663 [0,1,0,1,0,0|1,0,0]=3 242 B8R1.8 CCCC1C=CCN1 4029126 [0,1,0,1,0,0|1,0,1]=4 243 B8R1.8 CCCC1CCNC1 4018767 [0,1,0,1,0,0|1,0,0]=3 244 B8R1.8 CCNC1CCCC1 4024871 [0,1,0,1,0,0|1,0,0]=3 245 B8R1.8 CCOC1CCNC1 4041020 [0,1,0,1,0,0|2,0,0]=4 246 B8R1.8 CNCC1CCCC1 4043685 [0,1,0,1,0,0|1,0,0]=3 247 B8R1.8 CNCC1CCCN1 4111536 [0,1,0,1,0,0|1,0,0]=3 248 B8R1.8 CNCC1CCCO1 4018249 [0,1,0,1,0,0|0,0,0]=2 249 B8R1.8 CNCC1CCOC1 4019736 [0,1,0,1,0,0|1,0,0]=3 250 B8R1.8 COCC1CCNC1 4009705 [0,1,0,1,0,0|2,0,0]=4 251 B8R1.8 N#CCC1CCOC1 4036933 [0,1,0,1,0,0|1,0,1]=4 252 B8R1.8 NCCC1CCCC1 4015075 [0,1,0,1,0,0|1,0,0]=3 253 B8R1.8 NCCC1CCCC1 4087871 [0,1,0,1,0,0|1,0,0]=3 254 B8R1.8 NCCC1CCOC1 4037193 [0,1,0,1,0,0|1,0,0]=3 255 B8R1.8 OCCC1CCCN1 4019404 [0,1,0,1,0,0|1,0,0]=3 256 B8R1.8 OCCC1CCOC1 4037633 [0,1,0,1,0,0|1,0,0]=3 257 B8R1.11 CCC1CCNC1=O 4035898 [0,1,0,1,0,0|0,0,2]=4 258 B8R1.11 CC[C@@H]1CCC[C@H]1N 4053233 [0,1,0,1,0,0|1,0,0]=3 259 B8R1.11 CN1CCCC1CCl 4041434 [0,1,0,1,0,0|2,0,0]=4 260 B8R1.11 CN1CCCC1CN 4111535 [0,1,0,1,0,0|2,0,0]=4 261 B8R1.11 CN[C@H]1COC[C@@H]1O 4033800 [0,1,0,1,0,0|1,0,0]=3 262 B8R1.11 CO[C@@H]1CCC[C@H]1N 4054968 [0,1,0,1,0,0|1,0,0]=3 263 B8R1.11 CO[C@@H]1COC[C@@H]1N 4077424 [0,1,0,1,0,0|2,0,0]=4 264 B8R1.11 CO[C@H]1CNC[C@@H]1O 4033113 [0,1,0,1,0,0|1,0,0]=3 265 B8R1.11 CO[C@H]1COC[C@@H]1N 4031140 [0,1,0,1,0,0|2,0,0]=4 266 B8R1.11 NN[C@@H]1CCC[C@H]1O 4035460 [0,1,0,1,0,0|1,0,0]=3 267 B8R1.11 OC[C@H]1CNC[C@@H]1O 4037529 [0,1,0,1,0,0|1,0,0]=3 268 B8R1.66 CNCC1(C)COC1 4003585 [0,1,0,1,0,0|2,0,0]=4 269 B8R1.72 CC1(C)CCCNC1 4029954 [0,1,0,1,0,0|2,0,0]=4 270 B8R1.72 CC1(C)CCNCC1 4023814 [0,1,0,1,0,0|2,0,0]=4 271 B8R1.72 CC1(N)CCCCC1 4017356 [0,1,0,1,0,0|1,0,0]=3 272 B8R1.72 CC1(O)CCCNC1 4016060 [0,1,0,1,0,0|1,0,0]=3 273 B8R1.82 CNC1(COC)CC1 4028295 [0,1,0,1,0,0|2,0,0]=4 274 B8R1.82 CNCC1(CO)CC1 4025870 [0,1,0,1,0,0|1,0,0]=3 275 B8R1.82 COCC1(CN)CC1 4026725 [0,1,0,1,0,0|2,0,0]=4 276 B8R1.60 CCC1(CN)CCC1 4026727 [0,1,0,1,0,0|1,0,0]=3 277 B8R1.60 NCC1(CO)CCC1 4020261 [0,1,0,1,0,0|1,0,0]=3 278 B8R2.34 C1CC2CC1CN2 4100721 [0,0,0,2,0,0|1,0,0]=3 279 B8R2.34 C1CC2CCC1N2 4021192 [0,0,0,2,0,0|1,0,0]=3 280 B8R2.2 CC12CNCC1C2 4043501 [0,0,0,2,0,0|2,0,0]=4 281 B8R2.41 NC1(C2CC2)CC1 4027140 [0,0,0,2,0,0|1,0,0]=3