0 B7R0.4 CC(C)CNCCO 4090750 [1,0,0,0,0,0|3,0,0]=4 1 B7R0.4 CC(C)NCCCN 3020450 [1,0,0,0,0,0|3,0,0]=4 2 B9R1.2 CC[C@@H]1C[C@@H](O)CCN1 4078695 [0,0,0,1,0,0|1,0,0]=2 3 B9R1.2 CN1CCCC(CBr)C1 4090971 [0,0,0,1,0,0|3,0,0]=4 4 B9R1.2 C[C@@H]1CNC[C@@H](CO)O1 4042486 [0,0,0,1,0,0|2,0,0]=3 5 B9R1.2 C[C@H]1CNC[C@@H](CO)O1 4042449 [0,0,0,1,0,0|2,0,0]=3 6 B9R1.2 NCC1CCCC(O)C1 4023807 [0,0,0,1,0,0|1,0,0]=2 7 B9R1.2 NC[C@@H]1CCC[C@@H](O)C1 4110384 [0,0,0,1,0,0|1,0,0]=2 8 B9R1.2 NC[C@H]1CCC[C@@H](O)C1 4110840 [0,0,0,1,0,0|1,0,0]=2 9 B9R1.2 N[C@@H]1CCC[C@@H](CO)C1 4091236 [0,0,0,1,0,0|2,0,0]=3 10 B9R1.2 N[C@H]1CCC[C@@H](CO)C1 4091300 [0,0,0,1,0,0|2,0,0]=3 11 B9R1.2 N[C@H]1CCC[C@@H](CO)C1 4108241 [0,0,0,1,0,0|2,0,0]=3 12 B9R1.6 CC(C)C1CCNCC1 4089572 [0,0,0,1,0,0|2,0,0]=3 13 B9R1.6 CC(O)C1CCNCC1 4087900 [0,0,0,1,0,0|1,0,0]=2 14 B9R1.6 CN(C)C1CCCNC1 4090893 [0,0,0,1,0,0|3,0,0]=4 15 B9R1.13 O=C(O)CC1CCCN1 4090243 [0,0,0,1,0,0|2,0,1]=4 16 B9R1.41 CN(C)[C@@H]1CCC[C@H]1O 3002985 [0,0,0,1,0,0|3,0,0]=4 17 B9R1.41 CN1CCC[C@H]1C(=O)O 4090456 [0,0,0,1,0,0|2,0,1]=4 18 B9R1.41 C[C@H]1OCC[C@H]1C(=O)O 4061662 [0,0,0,1,0,0|2,0,1]=4 19 B9R1.48 CC1CN(C)CCCN1 4089141 [0,0,0,1,0,0|3,0,0]=4 20 B9R1.48 C[C@@H]1CN(C)CCCN1 4072236 [0,0,0,1,0,0|3,0,0]=4 21 B9R1.48 C[C@H]1CN(C)CCCN1 4081265 [0,0,0,1,0,0|3,0,0]=4 22 B9R1.59 CCC[C@H]1C[C@H]1C(=O)O 4003600 [0,0,0,1,0,0|1,0,1]=3 23 B9R1.148 CC1(N)CCCCCC1 4089106 [0,0,0,1,0,0|1,0,0]=2 24 B6R0.6 CCOCCNC 4089681 [2,0,0,0,0,0|2,0,0]=4 25 B8R1.2 CCC1CNCCN1 4090833 [1,0,0,1,0,0|2,0,0]=4 26 B8R1.2 CC[C@@H]1COCCN1 4039428 [1,0,0,1,0,0|2,0,0]=4 27 B8R1.2 CC[C@H]1COCCN1 4039169 [1,0,0,1,0,0|2,0,0]=4 28 B8R1.2 CNC1CCSCC1 4090591 [1,0,0,1,0,0|2,0,0]=4 29 B8R1.2 NCC1CCCCO1 4003524 [1,0,0,1,0,0|1,0,0]=3 30 B8R1.2 NCC1CCCOC1 4088037 [1,0,0,1,0,0|2,0,0]=4 31 B8R1.2 NCC1COCCO1 4087967 [1,0,0,1,0,0|2,0,0]=4 32 B8R1.2 OC[C@@H]1COCCN1 4037816 [1,0,0,1,0,0|2,0,0]=4 33 B8R1.2 OC[C@H]1COCCN1 4037199 [1,0,0,1,0,0|2,0,0]=4 34 B8R1.5 CC1CNCCC1O 4097511 [1,0,0,1,0,0|1,0,0]=3 35 B8R1.5 C[C@@H]1NCCN[C@H]1C 4036451 [1,0,0,1,0,0|2,0,0]=4 36 B8R1.5 N[C@H]1CCOC[C@H]1O 4091235 [1,0,0,1,0,0|2,0,0]=4 37 B8R1.5 O[C@H]1CCNC[C@@H]1O 4034771 [1,0,0,1,0,0|2,0,0]=4 38 B8R1.8 CCNC1CCCC1 4088683 [1,0,0,1,0,0|1,0,0]=3 39 B8R1.8 CCOC1CCNC1 4089420 [1,0,0,1,0,0|2,0,0]=4 40 B8R1.8 CNCC1CCCC1 4089391 [1,0,0,1,0,0|1,0,0]=3 41 B8R1.8 OCCC1CCCO1 4016666 [1,0,0,1,0,0|1,0,0]=3 42 B8R1.11 CC[C@H]1CCC[C@H]1N 4015651 [1,0,0,1,0,0|1,0,0]=3 43 B8R1.11 CN1CCCC1CCl 4090126 [1,0,0,1,0,0|2,0,0]=4 44 B8R1.11 CN1CCCC1CN 4090027 [1,0,0,1,0,0|2,0,0]=4 45 B8R1.11 CN1CCC[C@@H]1CN 4055531 [1,0,0,1,0,0|2,0,0]=4 46 B8R1.11 CN1CCC[C@H]1CN 4076302 [1,0,0,1,0,0|2,0,0]=4 47 B8R1.11 CN[C@H]1COC[C@@H]1O 4090162 [1,0,0,1,0,0|2,0,0]=4 48 B8R1.11 CO[C@@H]1CNC[C@H]1O 4088324 [1,0,0,1,0,0|2,0,0]=4 49 B8R1.11 OCC1CNCC1O 4085295 [1,0,0,1,0,0|2,0,0]=4 50 B8R1.11 OC[C@H]1CNC[C@H]1O 4037276 [1,0,0,1,0,0|2,0,0]=4 51 B8R1.22 CC1CNCCCO1 4041125 [1,0,0,1,0,0|1,0,0]=3 52 B8R1.22 OC1CCCNCC1 4088463 [1,0,0,1,0,0|1,0,0]=3 53 B8R1.22 OC1COCCOC1 4070066 [1,0,0,1,0,0|2,0,0]=4 54 B8R1.1 CCN1CC[C@@H](N)C1 4099937 [1,0,0,1,0,0|2,0,0]=4 55 B8R1.1 CCN1CC[C@H](N)C1 4098573 [1,0,0,1,0,0|2,0,0]=4 56 B8R1.4 N[C@H]1CCC[C@@H](O)C1 4108327 [1,0,0,1,0,0|1,0,0]=3 57 B8R1.4 O[C@@H]1CNC[C@@H](O)C1 4037492 [1,0,0,1,0,0|2,0,0]=4 58 B8R1.4 O[C@@H]1CNC[C@H](O)C1 4038049 [1,0,0,1,0,0|2,0,0]=4 59 B8R1.4 O[C@H]1CNC[C@H](O)C1 4038058 [1,0,0,1,0,0|2,0,0]=4 60 B8R1.7 CC(N)C1CCCC1 4090794 [1,0,0,1,0,0|1,0,0]=3 61 B8R1.27 CNCC1CC1(C)C 4032115 [1,0,0,1,0,0|2,0,0]=4 62 B8R1.35 CC(C)CNC1CC1 4090064 [1,0,0,1,0,0|2,0,0]=4 63 B8R1.35 CC(C)NCC1CC1 4090465 [1,0,0,1,0,0|2,0,0]=4 64 B8R1.72 CC1(C)CCNCC1 4090776 [1,0,0,1,0,0|2,0,0]=4 65 B8R1.72 CC1(N)CCCCC1 4090363 [1,0,0,1,0,0|1,0,0]=3 66 B10R1.79 N[C@H]1CCC[C@@H](O)CCC1 4012467 [0,1,0,1,0,0|0,0,0]=2 67 B10R1.79 N[C@H]1CCC[C@H](O)CCC1 4074884 [0,1,0,1,0,0|0,0,0]=2 68 B10R1.10 NCCN1CCCC(O)C1 4011102 [0,1,0,1,0,0|1,0,0]=3 69 B10R1.18 CN(C)CC1CCNCC1 4089447 [0,1,0,1,0,0|2,0,0]=4 70 B10R1.18 C[C@H](O)CN1CCNCC1 4076946 [0,1,0,1,0,0|1,0,0]=3 71 B10R1.39 CC(C)N1CCC[C@@H]1CN 4077208 [0,1,0,1,0,0|2,0,0]=4 72 B10R1.39 CC(C)N1CCC[C@H]1CN 4058071 [0,1,0,1,0,0|2,0,0]=4 73 B10R1.39 CCN1CCCC1C(=O)O 4034157 [0,1,0,1,0,0|1,0,1]=4 74 B10R1.39 CCN1CCC[C@@H]1C(=O)O 4063390 [0,1,0,1,0,0|1,0,1]=4 75 B10R1.61 CN1CCCCC1C(=O)O 4089496 [0,1,0,1,0,0|1,0,1]=4 76 B10R1.348 O=C(O)C1CCCCCN1 4140254 [0,1,0,1,0,0|1,0,1]=4 77 B10R1.15 CC(CO)N1CCOCC1 3002126 [0,1,0,1,0,0|2,0,0]=4 78 B10R1.172 OC[C@@H]1CNC[C@H](CO)C1 4042475 [0,1,0,1,0,0|2,0,0]=4 79 B10R1.172 OC[C@H]1CNC[C@H](CO)C1 4042500 [0,1,0,1,0,0|2,0,0]=4 80 B10R1.232 NC1(CO)CCCCCC1 4042715 [0,1,0,1,0,0|1,0,0]=3 81 B10R1.113 CC(C)[C@H]1CNC[C@@H](C)O1 4109531 [0,1,0,1,0,0|1,0,0]=3 82 B10R1.113 CN(C)[C@@H]1CCC[C@@H](O)C1 4038574 [0,1,0,1,0,0|1,0,0]=3 83 B10R1.30 CC[C@@H]1CN(C)CC[C@@H]1N 4063782 [0,1,0,1,0,0|2,0,0]=4 84 B10R1.30 CC[C@@H]1CN(C)CC[C@H]1N 4062973 [0,1,0,1,0,0|2,0,0]=4 85 B10R1.30 CC[C@H]1CN(C)CC[C@H]1N 4015682 [0,1,0,1,0,0|2,0,0]=4 86 B10R2.99 NCC1CC2CCC1O2 3003005 [0,0,0,2,0,0|1,0,0]=3 87 B10R2.99 NCC1CC2CCC1O2 4032075 [0,0,0,2,0,0|1,0,0]=3 88 B10R2.99 NC[C@H]1C[C@@H]2CC[C@H]1O2 4052456 [0,0,0,2,0,0|1,0,0]=3 89 B10R2.408 C1CC2COCC(C1)N2 4003104 [0,0,0,2,0,0|2,0,0]=4 90 B10R2.408 C1C[C@@H]2CNC[C@H](C1)C2 4089880 [0,0,0,2,0,0|2,0,0]=4 91 B10R2.408 C1C[C@H]2COC[C@@H](C1)N2 4083604 [0,0,0,2,0,0|2,0,0]=4 92 B10R2.2 C[C@H]1C[C@H]2CNC[C@H]2O1 4080156 [0,0,0,2,0,0|1,0,0]=3 93 B10R2.32 N[C@H]1CC[C@@H]2CCC[C@H]12 4039571 [0,0,0,2,0,0|1,0,0]=3 94 B10R2.32 N[C@H]1CC[C@H]2CCC[C@@H]12 4080727 [0,0,0,2,0,0|1,0,0]=3 95 B10R2.32 O[C@@H]1CO[C@@H]2CCO[C@H]12 4039207 [0,0,0,2,0,0|2,0,0]=4 96 B10R2.267 OC1CN(CC2CC2)C1 4043674 [0,0,0,2,0,0|1,0,0]=3