0 B6R0.1 CCC(C)CCN 4015078 [0,0,0,0,0,0|2,0,1]=3 1 B6R0.1 CCCC(=O)NN 3002586 [0,0,0,0,0,0|3,0,1]=4 2 B6R0.1 CCCC(N)CC 4028240 [0,0,0,0,0,0|2,0,1]=3 3 B6R0.1 CCCC(N)CC 4088911 [0,0,0,0,0,0|2,0,1]=3 4 B6R0.1 CCC\C(N)=N\O 4030621 [0,0,0,0,0,0|2,0,2]=4 5 B6R0.1 CCC\C(N)=N\O 4089955 [0,0,0,0,0,0|2,0,2]=4 6 B6R0.1 CCNC(C)CC 4024881 [0,0,0,0,0,0|2,0,1]=3 7 B6R0.1 CCNC(C)CC 4089770 [0,0,0,0,0,0|2,0,1]=3 8 B6R0.1 CCNC(C)CO 4027506 [0,0,0,0,0,0|1,0,2]=3 9 B6R0.1 CCOC(C)CN 4029821 [0,0,0,0,0,0|2,0,1]=3 10 B6R0.1 CNC(C)CCO 4027121 [0,0,0,0,0,0|3,0,0]=3 11 B6R0.1 CNCC(C)OC 4031677 [0,0,0,0,0,0|3,0,0]=3 12 B6R0.1 COC(C)CCN 4043534 [0,0,0,0,0,0|3,0,0]=3 13 B6R0.1 COCC(N)CO 4030437 [0,0,0,0,0,0|2,0,2]=4 14 B6R0.1 COCC(O)CN 4001723 [0,0,0,0,0,0|3,0,1]=4 15 B5R0.1 C=C(C)CNN 4045392 [1,0,0,0,0,0|2,0,1]=4 16 B5R0.1 CC(N)CCO 4027026 [1,0,0,0,0,0|2,0,0]=3 17 B5R0.1 CC(O)CNN 4028962 [1,0,0,0,0,0|2,0,1]=4 18 B5R0.1 CNCC(C)O 4035012 [1,0,0,0,0,0|1,0,1]=3 19 B5R0.1 NC(=O)CCO 4070037 [1,0,0,0,0,0|2,0,1]=4 20 B5R0.1 NCCC(N)=O 4034723 [1,0,0,0,0,0|2,0,1]=4 21 B5R0.2 C#CCCCBr 4079721 [1,0,0,0,0,0|2,0,1]=4 22 B5R0.2 C#CCCCN 4063954 [1,0,0,0,0,0|2,0,1]=4 23 B5R0.2 C=CCCCN 4075680 [1,0,0,0,0,0|2,0,0]=3 24 B5R0.2 C=CCCNC 4110731 [1,0,0,0,0,0|2,0,0]=3 25 B5R0.2 CNCCSC 4036386 [1,0,0,0,0,0|3,0,0]=4 26 B5R0.2 COCCNN 4108243 [1,0,0,0,0,0|3,0,0]=4 27 B5R0.2 NNCCCO 4085333 [1,0,0,0,0,0|3,0,0]=4 28 B5R0.3 CC(CN)CO 4036254 [1,0,0,0,0,0|1,0,2]=4 29 B5R0.3 CC[C@@H](O)CN 4036900 [1,0,0,0,0,0|2,0,1]=4 30 B5R0.3 CNC(C)CO 4028640 [1,0,0,0,0,0|1,0,2]=4 31 B5R0.3 COC(C)C#N 4045776 [1,0,0,0,0,0|2,0,1]=4 32 B5R0.3 COC(C)CN 4031070 [1,0,0,0,0,0|2,0,1]=4 33 B5R0.3 COC(C)CO 4045600 [1,0,0,0,0,0|1,0,2]=4 34 B7R0.2 CC(CN)CN(C)C 4027503 [0,1,0,0,0,0|2,0,1]=4 35 B7R0.2 CC(CO)CN(C)C 4027873 [0,1,0,0,0,0|1,0,2]=4 36 B7R0.2 CCC(C)CC(C)=O 4031282 [0,1,0,0,0,0|1,0,2]=4 37 B7R0.2 CNC(C)CC(C)C 4027376 [0,1,0,0,0,0|2,0,0]=3 38 B7R0.2 CNC(C)CC(C)C 4089905 [0,1,0,0,0,0|2,0,0]=3 39 B7R0.3 CCCNC(C)CO 4027950 [0,1,0,0,0,0|0,0,2]=3 40 B7R0.3 CCCOC(C)CN 4031060 [0,1,0,0,0,0|1,0,1]=3 41 B7R0.3 CCN(C)CCCCl 4032711 [0,1,0,0,0,0|2,0,1]=4 42 B7R0.3 CCN(C)CCCCl 4090852 [0,1,0,0,0,0|2,0,1]=4 43 B7R0.3 CCN(C)CCCO 4027001 [0,1,0,0,0,0|2,0,1]=4 44 B7R0.3 CCOCC(O)CN 4001724 [0,1,0,0,0,0|2,0,1]=4 45 B7R0.5 CC(=O)N(C)CCO 4036108 [0,1,0,0,0,0|2,0,0]=3 46 B7R0.5 CC(CCN)N(C)C 4026896 [0,1,0,0,0,0|3,0,0]=4 47 B7R0.5 CC(CCO)N(C)C 4027250 [0,1,0,0,0,0|3,0,0]=4 48 B7R0.5 CCNC(C)C(N)=O 4030069 [0,1,0,0,0,0|1,0,0]=2 49 B7R0.5 CCNC(C)C(N)=O 4089759 [0,1,0,0,0,0|1,0,0]=2 50 B7R0.5 CCOC(C)C(=O)O 4020873 [0,1,0,0,0,0|1,0,0]=2 51 B7R0.5 CCSC(C)C(=O)O 4028492 [0,1,0,0,0,0|1,0,0]=2 52 B7R0.5 CNCC(C)C(=O)O 4043069 [0,1,0,0,0,0|1,0,0]=2 53 B7R0.7 CCCC(C)NCC 4024861 [0,1,0,0,0,0|1,0,1]=3 54 B7R0.7 CCNC(C)CCO 4027124 [0,1,0,0,0,0|1,0,2]=4 55 B7R0.7 CCOC(C)CNC 4030660 [0,1,0,0,0,0|2,0,1]=4 56 B7R0.10 CCN(C)C(C)CO 4027973 [0,1,0,0,0,0|1,0,2]=4 57 B7R0.11 CCNC(C)(C)CO 4029235 [0,1,0,0,0,0|1,0,2]=4 58 B7R0.11 CCNC(C)(C)CO 4087910 [0,1,0,0,0,0|1,0,2]=4 59 B7R0.11 CNC(C)(C)COC 4027390 [0,1,0,0,0,0|3,0,0]=4 60 B7R0.11 CNCC(C)(C)CO 4025868 [0,1,0,0,0,0|1,0,2]=4 61 B7R0.11 COC(C)(C)CCN 4021563 [0,1,0,0,0,0|3,0,0]=4 62 B7R0.11 COCC(C)(C)CN 4028135 [0,1,0,0,0,0|2,0,1]=4 63 B7R0.12 CCOC(CC)CN 4031082 [0,1,0,0,0,0|2,0,1]=4 64 B7R0.12 CCOC(CC)CN 4091080 [0,1,0,0,0,0|2,0,1]=4 65 B7R1.1 BrCC1CCOC1 4037584 [0,0,0,1,0,0|2,0,1]=4 66 B7R1.1 C=CC1CCNC1 4051562 [0,0,0,1,0,0|2,0,0]=3 67 B7R1.1 CCC1CCNC1 4018760 [0,0,0,1,0,0|2,0,1]=4 68 B7R1.1 COC1CCNC1 4029717 [0,0,0,1,0,0|3,0,0]=4 69 B7R1.1 N#CC1CCOC1 4036887 [0,0,0,1,0,0|2,0,1]=4 70 B7R1.1 NCC1CCCC1 4018103 [0,0,0,1,0,0|1,0,1]=3 71 B7R1.1 NCC1CCCC1 4110554 [0,0,0,1,0,0|1,0,1]=3 72 B7R1.1 NCC1CCOC1 4037969 [0,0,0,1,0,0|2,0,1]=4 73 B7R1.1 NNC1CCOC1 4055519 [0,0,0,1,0,0|3,0,0]=4 74 B7R1.1 OCC1CCNC1 4003674 [0,0,0,1,0,0|1,0,2]=4 75 B7R1.3 BrC1CCCOC1 4032123 [0,0,0,1,0,0|1,0,2]=4 76 B7R1.3 CC1=CCNCC1 4036573 [0,0,0,1,0,0|2,0,1]=4 77 B7R1.3 CC1CNCCO1 4019021 [0,0,0,1,0,0|2,0,1]=4 78 B7R1.3 C[C@@H]1COCCN1 4037047 [0,0,0,1,0,0|1,0,2]=4 79 B7R1.3 C[C@H]1CNCCO1 4038541 [0,0,0,1,0,0|2,0,1]=4 80 B7R1.3 NC1CCCOC1 4018204 [0,0,0,1,0,0|1,0,2]=4 81 B7R1.4 NC1CCNC1=O 4110613 [0,0,0,1,0,0|2,0,0]=3 82 B7R1.6 CNCC1CCC1 4031455 [0,0,0,1,0,0|2,0,1]=4 83 B7R1.6 NCCC1CCC1 4036646 [0,0,0,1,0,0|2,0,1]=4 84 B7R1.10 CN1CC(CN)C1 4039121 [0,0,0,1,0,0|2,0,1]=4 85 B7R1.21 CCCC1(N)CC1 4021536 [0,0,0,1,0,0|2,0,1]=4 86 B7R1.22 CCC(N)C1CC1 4044918 [0,0,0,1,0,0|2,0,1]=4 87 B7R1.22 OC(CBr)C1CC1 4047731 [0,0,0,1,0,0|2,0,1]=4 88 B7R1.25 CC1(CN)COC1 4003584 [0,0,0,1,0,0|2,0,1]=4 89 B7R1.25 CC1(CO)CSC1 4048667 [0,0,0,1,0,0|1,0,2]=4 90 B4R0.1 CC(=O)CN 4035253 [2,0,0,0,0,0|1,0,1]=4 91 B4R0.1 CC(C)NN 4032832 [2,0,0,0,0,0|2,0,0]=4 92 B4R0.2 CCCNN 4085300 [2,0,0,0,0,0|2,0,0]=4 93 B6R0.3 CC(C)C(O)CN 4038941 [1,1,0,0,0,0|1,0,1]=4 94 B6R0.3 CNC(C)C(C)C 4027192 [1,1,0,0,0,0|1,0,1]=4 95 B6R0.4 CC(C)SCCN 4012669 [1,1,0,0,0,0|1,0,1]=4 96 B6R0.4 CC(C)SCCN 4089980 [1,1,0,0,0,0|1,0,1]=4 97 B6R0.4 CNCCC(=O)O 4036102 [1,1,0,0,0,0|1,0,1]=4 98 B6R0.4 CNCCC(N)=O 4029061 [1,1,0,0,0,0|1,0,1]=4 99 B6R0.4 COCCC(C)=O 4022132 [1,1,0,0,0,0|0,0,1]=3 100 B6R0.4 NC(=O)CCCCl 4028442 [1,1,0,0,0,0|1,0,1]=4 101 B6R0.5 CC(C)(O)CCCl 4047844 [1,1,0,0,0,0|1,0,1]=4 102 B6R0.5 CC(C)(O)CCN 4044047 [1,1,0,0,0,0|1,0,1]=4 103 B6R0.5 CNCC(C)(C)C 4017477 [1,1,0,0,0,0|1,0,1]=4 104 B6R0.5 CNCC(C)(C)O 4085463 [1,1,0,0,0,0|1,0,1]=4 105 B6R0.5 COCC(C)(C)N 4017683 [1,1,0,0,0,0|1,0,1]=4 106 B6R0.5 CS(=O)(=O)CCCl 4036406 [1,1,0,0,0,0|2,0,0]=4 107 B6R0.5 CS(=O)(=O)CCN 4030796 [1,1,0,0,0,0|2,0,0]=4 108 B6R0.6 C=CCCCCN 4067494 [1,1,0,0,0,0|1,0,0]=3 109 B6R0.6 C=CCNCCC 4031693 [1,1,0,0,0,0|1,0,0]=3 110 B6R0.6 CCCSCCN 4033597 [1,1,0,0,0,0|1,0,1]=4 111 B6R0.6 CCCSCCN 4089004 [1,1,0,0,0,0|1,0,1]=4 112 B6R0.6 CCOCCNC 4030249 [1,1,0,0,0,0|2,0,0]=4 113 B6R0.6 CNCCCOC 4021520 [1,1,0,0,0,0|2,0,0]=4 114 B6R0.6 COCCN=C=O 4027817 [1,1,0,0,0,0|1,0,1]=4 115 B6R0.6 FCCCCCBr 4041608 [1,1,0,0,0,0|1,0,1]=4 116 B6R0.8 C=CC(C)(C)CO 4071188 [1,1,0,0,0,0|2,0,0]=4 117 B6R0.8 CCC(C)(N)CC 4035688 [1,1,0,0,0,0|1,0,1]=4 118 B6R0.9 CCC(CC)CN 4034714 [1,1,0,0,0,0|1,0,1]=4 119 B6R0.9 CCC(CC)NC 4027066 [1,1,0,0,0,0|1,0,1]=4 120 B6R0.9 CCC(CC)NC 4090629 [1,1,0,0,0,0|1,0,1]=4 121 B6R0.9 CCC(CN)OC 4031411 [1,1,0,0,0,0|1,0,1]=4 122 B8R0.2 CCN(C)C(C)C(=O)O 4027525 [0,2,0,0,0,0|1,0,0]=3 123 B8R0.5 CC(=O)CN(C)CCO 4028287 [0,2,0,0,0,0|2,0,0]=4 124 B8R0.5 CCCS(=O)CC(=O)O 4027354 [0,2,0,0,0,0|2,0,0]=4 125 B8R0.5 CN(CCO)CC(=O)O 4027421 [0,2,0,0,0,0|2,0,0]=4 126 B8R0.19 CCN(C)CC(C)CN 4028082 [0,2,0,0,0,0|1,0,1]=4 127 B8R0.23 CC(C)OC(C)C(=O)O 4020867 [0,2,0,0,0,0|1,0,0]=3 128 B8R0.23 CC(CN(C)C)C(=O)O 4028170 [0,2,0,0,0,0|1,0,0]=3 129 B8R0.3 CCCC(N)C(=O)NC 4042706 [0,2,0,0,0,0|1,0,0]=3 130 B8R0.3 CCC[C@@H](N)C(=O)OC 4107426 [0,2,0,0,0,0|1,0,0]=3 131 B8R0.3 CCOC(C)C(=O)NN 4024077 [0,2,0,0,0,0|1,0,0]=3 132 B8R0.3 CCOC(C)C(=O)NN 4090202 [0,2,0,0,0,0|1,0,0]=3 133 B8R0.3 COC(=O)[C@@H](N)CSC 4029499 [0,2,0,0,0,0|2,0,0]=4 134 B8R0.8 C=CCSC(C)C(=O)O 4026797 [0,2,0,0,0,0|0,0,2]=4 135 B8R0.8 CCCNC(=O)C(=O)O 4027289 [0,2,0,0,0,0|1,0,1]=4 136 B8R0.8 CCCNC(C)C(C)C 4024851 [0,2,0,0,0,0|1,0,1]=4 137 B8R0.8 CCCNC(C)C(C)C 4088422 [0,2,0,0,0,0|1,0,1]=4 138 B8R0.8 CCCOC(C)C(=O)O 4020872 [0,2,0,0,0,0|0,0,0]=2 139 B8R0.11 CCCNC(CC)CC 4024896 [0,2,0,0,0,0|1,0,1]=4 140 B8R0.11 CCCNC(CC)CC 4088634 [0,2,0,0,0,0|1,0,1]=4 141 B8R0.12 CC(C)(CCN)C(=O)O 4030205 [0,2,0,0,0,0|1,0,0]=3 142 B8R0.12 CCOC(C)(C)C(=O)O 4021501 [0,2,0,0,0,0|1,0,0]=3 143 B8R0.12 COCC(C)(C)C(=O)O 4030901 [0,2,0,0,0,0|1,0,0]=3 144 B8R0.15 CCCC(CN)N(C)C 4028602 [0,2,0,0,0,0|1,0,1]=4 145 B8R0.15 CCCC(NC)C(=O)O 4044041 [0,2,0,0,0,0|0,0,0]=2 146 B6R1.2 NC1CCOC1 4003522 [1,0,0,1,0,0|2,0,0]=4 147 B6R1.3 CCNC1CC1 4110570 [1,0,0,1,0,0|1,0,1]=4 148 B6R1.3 CNCC1CC1 4033531 [1,0,0,1,0,0|1,0,1]=4 149 B6R1.5 N[C@H]1C[C@@H](O)C1 4054153 [1,0,0,1,0,0|1,0,1]=4 150 B6R1.5 N[C@H]1C[C@H](O)C1 4046339 [1,0,0,1,0,0|1,0,1]=4 151 B6R1.10 CC1(N)CCC1 4042856 [1,0,0,1,0,0|1,0,0]=3 152 B6R1.11 CC(N)C1CC1 4004109 [1,0,0,1,0,0|1,0,0]=3 153 B6R1.11 CC(N)C1CC1 4088031 [1,0,0,1,0,0|1,0,0]=3 154 B6R1.1 C1CCONC1 4013260 [1,0,0,1,0,0|1,0,1]=4 155 B6R1.6 NCC1CCC1 4003518 [1,0,0,1,0,0|1,0,1]=4 156 B8R1.1 CN1CCC(CBr)C1 4044199 [0,1,0,1,0,0|1,0,1]=4 157 B8R1.1 CN1CCC(CCl)C1 4018173 [0,1,0,1,0,0|1,0,1]=4 158 B8R1.1 CN1CCC(CN)C1 4003800 [0,1,0,1,0,0|1,0,1]=4 159 B8R1.1 CN1CCC(CO)C1 4003799 [0,1,0,1,0,0|0,0,2]=4 160 B8R1.4 CC1CCCC(=O)N1 4027532 [0,1,0,1,0,0|0,0,0]=2 161 B8R1.4 CC1COCC(=O)N1 4028237 [0,1,0,1,0,0|1,0,0]=3 162 B8R1.4 C[C@@H]1CNCC(=O)N1 4054334 [0,1,0,1,0,0|1,0,0]=3 163 B8R1.4 C[C@H]1CNCC(=O)N1 4108180 [0,1,0,1,0,0|1,0,0]=3 164 B8R1.18 CN1CC(N)CC1=O 4014078 [0,1,0,1,0,0|1,0,0]=3 165 B8R1.51 CC1CNC(C)(C)C1 4044904 [0,1,0,1,0,0|1,0,1]=4 166 B8R1.2 BrCC1CCCOC1 4046211 [0,1,0,1,0,0|0,0,2]=4 167 B8R1.2 C=CC1CCCNC1 4108333 [0,1,0,1,0,0|1,0,0]=3 168 B8R1.2 C=CC1CCNCC1 4062882 [0,1,0,1,0,0|1,0,0]=3 169 B8R1.2 CCC1CCCNC1 4018855 [0,1,0,1,0,0|1,0,1]=4 170 B8R1.2 CCC1CCNCC1 4004580 [0,1,0,1,0,0|1,0,1]=4 171 B8R1.2 CCC1CCNCC1 4110368 [0,1,0,1,0,0|1,0,1]=4 172 B8R1.2 CNC1CCOCC1 4003545 [0,1,0,1,0,0|2,0,0]=4 173 B8R1.2 CNC1CCSCC1 4036158 [0,1,0,1,0,0|2,0,0]=4 174 B8R1.2 COC1CCCNC1 4002969 [0,1,0,1,0,0|1,0,1]=4 175 B8R1.2 COC1CCCNC1 4087774 [0,1,0,1,0,0|1,0,1]=4 176 B8R1.2 COC1CCCNC1 4088818 [0,1,0,1,0,0|1,0,1]=4 177 B8R1.2 COC1CCNCC1 4002968 [0,1,0,1,0,0|2,0,0]=4 178 B8R1.2 COC1CCNCC1 4088815 [0,1,0,1,0,0|2,0,0]=4 179 B8R1.2 N#CC1CCCNC1 4009818 [0,1,0,1,0,0|1,0,1]=4 180 B8R1.2 N#CC1CCNCC1 4009819 [0,1,0,1,0,0|1,0,1]=4 181 B8R1.2 N#CC1CCNCC1 4088035 [0,1,0,1,0,0|1,0,1]=4 182 B8R1.2 N#CC1CCOCC1 4026815 [0,1,0,1,0,0|1,0,1]=4 183 B8R1.2 NCC1=CCCCC1 4019756 [0,1,0,1,0,0|1,0,1]=4 184 B8R1.2 NCC1CCCCO1 4087791 [0,1,0,1,0,0|1,0,1]=4 185 B8R1.2 NCC1CCCOC1 4014028 [0,1,0,1,0,0|0,0,2]=4 186 B8R1.2 NCC1CCCOC1 4087864 [0,1,0,1,0,0|0,0,2]=4 187 B8R1.2 NCC1CCOCC1 4004281 [0,1,0,1,0,0|1,0,1]=4 188 B8R1.2 NCC1CCOCC1 4089498 [0,1,0,1,0,0|1,0,1]=4 189 B8R1.2 OCC1CCCOC1 4027028 [0,1,0,1,0,0|0,0,2]=4 190 B8R1.2 OCC1CCOCC1 4027097 [0,1,0,1,0,0|0,0,2]=4 191 B8R1.5 CC1CNCCN1C 4002085 [0,1,0,1,0,0|2,0,0]=4 192 B8R1.5 CC1CNCCN1C 4089459 [0,1,0,1,0,0|2,0,0]=4 193 B8R1.5 CC1NCCNC1=O 4028234 [0,1,0,1,0,0|1,0,0]=3 194 B8R1.5 CC1OCCNC1=O 4045691 [0,1,0,1,0,0|1,0,0]=3 195 B8R1.5 CC1SCCNC1=O 4044376 [0,1,0,1,0,0|1,0,0]=3 196 B8R1.5 CN1CCCNC1=O 4035075 [0,1,0,1,0,0|1,0,0]=3 197 B8R1.5 CN1CCNCC1=O 4102111 [0,1,0,1,0,0|1,0,0]=3 198 B8R1.5 C[C@@H]1CNCCN1C 4062996 [0,1,0,1,0,0|2,0,0]=4 199 B8R1.5 C[C@H]1CNCCN1C 4069956 [0,1,0,1,0,0|2,0,0]=4 200 B8R1.5 C[C@H]1CNCC[C@@H]1O 4066771 [0,1,0,1,0,0|0,0,2]=4 201 B8R1.5 C[C@H]1CNCC[C@H]1O 4057248 [0,1,0,1,0,0|0,0,2]=4 202 B8R1.5 NC1CCCNC1=O 4002400 [0,1,0,1,0,0|1,0,0]=3 203 B8R1.22 CC1CCCCCN1 4043402 [0,1,0,1,0,0|1,0,1]=4 204 B8R1.22 CC1CCCNCC1 4041336 [0,1,0,1,0,0|1,0,1]=4 205 B8R1.50 CN1CCC(Br)C1=O 4045629 [0,1,0,1,0,0|1,0,0]=3 206 B8R1.50 CN1CCC(N)C1=O 4019955 [0,1,0,1,0,0|1,0,0]=3 207 B8R1.52 CC1(C#N)CCCO1 4027426 [0,1,0,1,0,0|1,0,1]=4 208 B8R1.52 CC1(CO)CCCN1 4040826 [0,1,0,1,0,0|0,0,2]=4 209 B8R1.52 CCC1(N)CCCC1 4017676 [0,1,0,1,0,0|1,0,1]=4 210 B8R1.52 N#CC1(N)CCCC1 4035549 [0,1,0,1,0,0|1,0,1]=4 211 B8R1.7 CC(=O)C1CCCC1 4031395 [0,1,0,1,0,0|0,0,0]=2 212 B8R1.7 CC(=O)C1CCCO1 4075977 [0,1,0,1,0,0|1,0,0]=3 213 B8R1.7 CC(N)C1CCCC1 4040740 [0,1,0,1,0,0|1,0,1]=4 214 B8R1.7 N=C(N)C1CCOC1 4108969 [0,1,0,1,0,0|2,0,0]=4 215 B8R1.7 O=C(O)C1CCCS1 4045536 [0,1,0,1,0,0|1,0,0]=3 216 B8R1.19 CC1(C)CCNC1=O 4035085 [0,1,0,1,0,0|1,0,0]=3 217 B8R1.23 O=C(O)[C@H]1C[C@H](O)C1 4079353 [0,1,0,1,0,0|1,0,0]=3 218 B8R1.23 O=C1CC(C(=O)O)C1 4036673 [0,1,0,1,0,0|1,0,1]=4 219 B8R1.78 CC1(C(=O)O)CNC1 4067484 [0,1,0,1,0,0|1,0,0]=3 220 B8R1.8 CCCC1C=CCN1 4029126 [0,1,0,1,0,0|1,0,0]=3 221 B8R1.8 CCCC1CCNC1 4018767 [0,1,0,1,0,0|1,0,1]=4 222 B8R1.8 CCNC1CCCC1 4024871 [0,1,0,1,0,0|1,0,1]=4 223 B8R1.8 CNCC1CCCC1 4043685 [0,1,0,1,0,0|1,0,1]=4 224 B8R1.8 NCCC1CCCC1 4015075 [0,1,0,1,0,0|1,0,1]=4 225 B8R1.8 NCCC1CCCC1 4087871 [0,1,0,1,0,0|1,0,1]=4 226 B8R1.11 CCC1CCNC1=O 4035898 [0,1,0,1,0,0|1,0,0]=3 227 B8R1.11 CC[C@@H]1CCC[C@H]1N 4053233 [0,1,0,1,0,0|1,0,1]=4 228 B8R1.11 CN1CCCC1CCl 4041434 [0,1,0,1,0,0|1,0,1]=4 229 B8R1.11 CN1CCCC1CN 4111535 [0,1,0,1,0,0|1,0,1]=4 230 B8R1.11 CO[C@@H]1CCC[C@H]1N 4054968 [0,1,0,1,0,0|1,0,1]=4 231 B8R1.11 NN[C@@H]1CCC[C@H]1O 4035460 [0,1,0,1,0,0|2,0,0]=4 232 B8R1.72 CC1(C)CCCNC1 4029954 [0,1,0,1,0,0|1,0,1]=4 233 B8R1.72 CC1(N)CCCCC1 4017356 [0,1,0,1,0,0|1,0,1]=4 234 B8R1.72 CC1(O)CCCNC1 4016060 [0,1,0,1,0,0|1,0,1]=4 235 B8R1.60 CCC1(CN)CCC1 4026727 [0,1,0,1,0,0|1,0,1]=4 236 B8R1.60 NCC1(CO)CCC1 4020261 [0,1,0,1,0,0|0,0,2]=4 237 B8R2.34 C1=CC2CC1CN2 4100720 [0,0,0,2,0,0|2,0,0]=4 238 B8R2.34 C1CC2CC1CN2 4100721 [0,0,0,2,0,0|1,0,1]=4 239 B8R2.2 CC12CNCC1C2 4043501 [0,0,0,2,0,0|1,0,1]=4