0 B6R0.6 C=CCNCCC 4088685 [0,0,0,0,0,0|2,0,1]=3 1 B5R0.2 NNCCCO 4090002 [1,0,0,0,0,0|2,0,0]=3 2 B7R0.3 CCC(=O)NCCN 4028425 [0,1,0,0,0,0|2,0,1]=4 3 B7R0.3 CCCOC(C)CN 4089733 [0,1,0,0,0,0|3,0,0]=4 4 B7R0.4 CC(C)CNCCO 4090750 [0,1,0,0,0,0|1,0,0]=2 5 B7R1.1 CCC1C=CCN1 4090190 [0,0,0,1,0,0|2,0,1]=4 6 B7R1.1 OC[C@@H]1CCNC1 4098010 [0,0,0,1,0,0|3,0,0]=4 7 B7R1.3 CC1CNCCO1 4090031 [0,0,0,1,0,0|1,0,0]=2 8 B7R1.3 CC1COCCN1 4037925 [0,0,0,1,0,0|3,0,0]=4 9 B7R1.3 C[C@@H]1CNCCO1 4037141 [0,0,0,1,0,0|1,0,0]=2 10 B7R1.3 N[C@@H]1CCCOC1 4095390 [0,0,0,1,0,0|3,0,0]=4 11 B7R1.3 N[C@H]1CCCOC1 4105155 [0,0,0,1,0,0|3,0,0]=4 12 B7R1.4 C[C@@H]1CNC[C@@H]1C 4034805 [0,0,0,1,0,0|2,0,0]=3 13 B7R1.4 C[C@@H]1CNC[C@H]1C 4034801 [0,0,0,1,0,0|2,0,0]=3 14 B7R1.4 N[C@H]1COC[C@H]1O 4044721 [0,0,0,1,0,0|2,0,0]=3 15 B7R1.4 O[C@H]1CNC[C@@H]1O 4093726 [0,0,0,1,0,0|0,0,0]=1 16 B7R1.24 C1=CCCNCC1 4110732 [0,0,0,1,0,0|2,0,0]=3 17 B7R1.24 C1CNCCOC1 4036691 [0,0,0,1,0,0|1,0,0]=2 18 B7R1.24 C1CNCCOC1 4088544 [0,0,0,1,0,0|1,0,0]=2 19 B4R0.2 CCCNN 4088315 [2,0,0,0,0,0|2,0,0]=4 20 B6R0.1 CCOC(C)CN 4089019 [1,1,0,0,0,0|2,0,0]=4 21 B6R0.1 NCCC(O)CO 4051484 [1,1,0,0,0,0|1,0,0]=3 22 B6R1.1 C1CCONC1 4089921 [1,0,0,1,0,0|1,0,0]=3 23 B6R1.2 NC1CCSC1 4014976 [1,0,0,1,0,0|2,0,0]=4 24 B6R1.2 N[C@@H]1CCOC1 4107838 [1,0,0,1,0,0|2,0,0]=4 25 B6R1.2 OC1CCSC1 4030923 [1,0,0,1,0,0|1,0,0]=3 26 B6R1.2 OC1CNOC1 4088318 [1,0,0,1,0,0|1,0,0]=3 27 B6R1.3 CCNC1CC1 4026907 [1,0,0,1,0,0|1,0,0]=3 28 B6R1.4 N[C@H]1CC[C@@H]1O 4071120 [1,0,0,1,0,0|1,0,0]=3 29 B6R1.4 N[C@H]1CC[C@H]1O 4068939 [1,0,0,1,0,0|1,0,0]=3 30 B6R1.6 NCC1CCC1 4090412 [1,0,0,1,0,0|2,0,0]=4 31 B8R1.2 CCC1CNCCN1 4090833 [0,1,0,1,0,0|2,0,0]=4 32 B8R1.2 CC[C@@H]1COCCN1 4039428 [0,1,0,1,0,0|1,0,0]=3 33 B8R1.2 CC[C@H]1COCCN1 4039169 [0,1,0,1,0,0|1,0,0]=3 34 B8R1.2 NCC1CCCCO1 4003524 [0,1,0,1,0,0|2,0,0]=4 35 B8R1.2 NCC1CCCOC1 4088037 [0,1,0,1,0,0|2,0,0]=4 36 B8R1.2 NCC1COCCO1 4087967 [0,1,0,1,0,0|2,0,0]=4 37 B8R1.2 OC[C@@H]1COCCN1 4037816 [0,1,0,1,0,0|0,0,0]=2 38 B8R1.2 OC[C@H]1COCCN1 4037199 [0,1,0,1,0,0|0,0,0]=2 39 B8R1.5 CC1CNCCC1O 4097511 [0,1,0,1,0,0|1,0,0]=3 40 B8R1.5 C[C@@H]1NCCN[C@H]1C 4036451 [0,1,0,1,0,0|2,0,0]=4 41 B8R1.5 N[C@H]1CCOC[C@H]1O 4091235 [0,1,0,1,0,0|2,0,0]=4 42 B8R1.5 O[C@H]1CCNC[C@@H]1O 4034771 [0,1,0,1,0,0|0,0,0]=2 43 B8R1.8 OCCC1CCCO1 4016666 [0,1,0,1,0,0|1,0,0]=3 44 B8R1.11 CN1CCCC1CCl 4090126 [0,1,0,1,0,0|2,0,0]=4 45 B8R1.11 CN1CCCC1CN 4090027 [0,1,0,1,0,0|2,0,0]=4 46 B8R1.11 CN1CCC[C@@H]1CN 4055531 [0,1,0,1,0,0|2,0,0]=4 47 B8R1.11 CN1CCC[C@H]1CN 4076302 [0,1,0,1,0,0|2,0,0]=4 48 B8R1.11 CN[C@H]1COC[C@@H]1O 4090162 [0,1,0,1,0,0|2,0,0]=4 49 B8R1.11 CO[C@@H]1CNC[C@H]1O 4088324 [0,1,0,1,0,0|0,0,0]=2 50 B8R1.11 OCC1CNCC1O 4085295 [0,1,0,1,0,0|0,0,0]=2 51 B8R1.11 OC[C@H]1CNC[C@H]1O 4037276 [0,1,0,1,0,0|0,0,0]=2 52 B8R1.22 CC1CNCCCO1 4041125 [0,1,0,1,0,0|1,0,0]=3 53 B8R1.22 O=C1CCNCCN1 4090378 [0,1,0,1,0,0|1,0,1]=4 54 B8R1.22 OC1CCCNCC1 4088463 [0,1,0,1,0,0|1,0,0]=3 55 B8R1.22 OC1COCCOC1 4070066 [0,1,0,1,0,0|1,0,0]=3 56 B8R1.50 N[C@@H]1CC[C@H](O)[C@H]1O 4051849 [0,1,0,1,0,0|1,0,0]=3 57 B8R1.50 N[C@H]1CC[C@@H](O)[C@@H]1O 4047633 [0,1,0,1,0,0|1,0,0]=3 58 B8R1.50 N[C@H]1CC[C@H](O)[C@@H]1O 4046069 [0,1,0,1,0,0|1,0,0]=3 59 B8R1.52 CC1(CBr)OCCO1 3001590 [0,1,0,1,0,0|2,0,0]=4 60 B8R1.52 CC1(CN)CCCO1 4018199 [0,1,0,1,0,0|2,0,0]=4 61 B8R1.4 N[C@H]1CCC[C@@H](O)C1 4108327 [0,1,0,1,0,0|2,0,0]=4 62 B8R1.4 O[C@@H]1CNC[C@@H](O)C1 4037492 [0,1,0,1,0,0|0,0,0]=2 63 B8R1.4 O[C@@H]1CNC[C@H](O)C1 4038049 [0,1,0,1,0,0|0,0,0]=2 64 B8R1.4 O[C@H]1CNC[C@H](O)C1 4038058 [0,1,0,1,0,0|0,0,0]=2 65 B8R1.35 CC(C)CNC1CC1 4090064 [0,1,0,1,0,0|2,0,0]=4 66 B8R2.22 C1C[C@H]2CN[C@H]2C1 4042340 [0,0,0,2,0,0|2,0,0]=4 67 B8R2.34 C12CCC(CC1)N2 4097327 [0,0,0,2,0,0|2,0,0]=4 68 B8R2.2 C[C@]12CNC[C@H]1C2 4036068 [0,0,0,2,0,0|2,0,0]=4