0 B7R0.7 CCCC(C)NCC 4090739 [0,0,0,0,0,0|2,0,1]=3 1 B6R0.6 C=CCNCCC 4088685 [1,0,0,0,0,0|1,0,2]=4 2 B6R0.6 CCOCCNC 4089681 [1,0,0,0,0,0|2,0,1]=4 3 B8R0.3 CCOC(=O)C(N)CO 3020297 [0,1,0,0,0,0|2,0,0]=3 4 B8R1.4 CC1CNCC(=O)N1 4049339 [0,0,0,1,0,0|2,0,0]=3 5 B8R1.4 C[C@H]1CNCC(=O)N1 4057204 [0,0,0,1,0,0|2,0,0]=3 6 B8R1.4 N[C@H]1CCC[C@@H](O)C1 4108327 [0,0,0,1,0,0|1,0,2]=4 7 B8R1.8 CCNC1CCCC1 4088683 [0,0,0,1,0,0|2,0,1]=4 8 B8R1.8 CNCC1CCCC1 4089391 [0,0,0,1,0,0|2,0,1]=4 9 B8R1.8 OCCC1CCCO1 4016666 [0,0,0,1,0,0|1,0,2]=4 10 B8R1.11 CC[C@H]1CCC[C@H]1N 4015651 [0,0,0,1,0,0|1,0,1]=3 11 B8R1.11 CN1CCCC1CCl 4090126 [0,0,0,1,0,0|3,0,0]=4 12 B8R1.11 CN1CCCC1CN 4090027 [0,0,0,1,0,0|3,0,0]=4 13 B8R1.11 CN1CCC[C@@H]1CN 4055531 [0,0,0,1,0,0|3,0,0]=4 14 B8R1.11 CN1CCC[C@H]1CN 4076302 [0,0,0,1,0,0|3,0,0]=4 15 B8R1.22 O=C1CCNCCN1 4090378 [0,0,0,1,0,0|2,0,0]=3 16 B8R1.22 OC1CCCNCC1 4088463 [0,0,0,1,0,0|1,0,2]=4 17 B5R0.3 C=C(CC)CN 4074283 [2,0,0,0,0,0|2,0,0]=4 18 B5R0.3 CNC(=O)CN 4089909 [2,0,0,0,0,0|2,0,0]=4 19 B7R0.3 CCC(=O)NCCN 4028425 [1,1,0,0,0,0|1,0,0]=3 20 B7R0.3 CCN(C)CCNC 4027628 [1,1,0,0,0,0|2,0,0]=4 21 B7R0.3 CNC(=O)CCCN 4089383 [1,1,0,0,0,0|1,0,0]=3 22 B7R0.3 CNCCC(=O)NC 4088709 [1,1,0,0,0,0|1,0,0]=3 23 B7R0.5 CN(C)C(=O)CCN 4090962 [1,1,0,0,0,0|2,0,0]=4 24 B7R0.10 CCC(N)C(=O)NC 4090715 [1,1,0,0,0,0|1,0,0]=3 25 B7R0.10 CNC(=O)C(C)CN 4089454 [1,1,0,0,0,0|2,0,0]=4 26 B7R0.10 CNC(=O)[C@@H](C)NC 4058453 [1,1,0,0,0,0|2,0,0]=4 27 B7R0.10 CNC(=O)[C@H](C)NC 4051973 [1,1,0,0,0,0|2,0,0]=4 28 B7R0.10 CN[C@@H](C)C(=O)OC 4063702 [1,1,0,0,0,0|2,0,0]=4 29 B7R0.10 CN[C@H](C)C(=O)OC 4068255 [1,1,0,0,0,0|2,0,0]=4 30 B7R0.11 CCS(=O)(=O)CCN 4089975 [1,1,0,0,0,0|2,0,0]=4 31 B7R0.4 CC(C)CNCCO 4090750 [1,1,0,0,0,0|2,0,0]=4 32 B9R0.18 CCOCC(=O)NCCN 3020446 [0,2,0,0,0,0|1,0,0]=3 33 B9R0.34 CCOC(=O)CC(C)NC 3005120 [0,2,0,0,0,0|1,0,0]=3 34 B9R0.37 CCN(CC)C(=O)CNC 3020369 [0,2,0,0,0,0|2,0,0]=4 35 B7R1.4 NC1CCNC1=O 4019954 [1,0,0,1,0,0|2,0,0]=4 36 B7R1.4 N[C@@H]1CCNC1=O 4101224 [1,0,0,1,0,0|2,0,0]=4 37 B7R1.4 N[C@H]1CCNC1=O 4107612 [1,0,0,1,0,0|2,0,0]=4 38 B7R1.21 CCCC1(N)CC1 4090398 [1,0,0,1,0,0|1,0,1]=4 39 B7R1.24 C1=CCCNCC1 4110732 [1,0,0,1,0,0|1,0,1]=4 40 B7R1.24 C1CNCCOC1 4036691 [1,0,0,1,0,0|2,0,0]=4 41 B7R1.24 C1CNCCOC1 4088544 [1,0,0,1,0,0|2,0,0]=4 42 B9R1.2 CN1CCCC(CBr)C1 4090971 [0,1,0,1,0,0|2,0,0]=4 43 B9R1.2 NCC1CCCC(O)C1 4023807 [0,1,0,1,0,0|0,0,2]=4 44 B9R1.2 NC[C@@H]1CCC[C@@H](O)C1 4110384 [0,1,0,1,0,0|0,0,2]=4 45 B9R1.2 NC[C@H]1CCC[C@@H](O)C1 4110840 [0,1,0,1,0,0|0,0,2]=4 46 B9R1.2 N[C@@H]1CCC[C@@H](CO)C1 4091236 [0,1,0,1,0,0|1,0,1]=4 47 B9R1.2 N[C@H]1CCC[C@@H](CO)C1 4091300 [0,1,0,1,0,0|1,0,1]=4 48 B9R1.2 N[C@H]1CCC[C@@H](CO)C1 4108241 [0,1,0,1,0,0|1,0,1]=4 49 B9R1.12 CCCNC1CCCC1 4088182 [0,1,0,1,0,0|1,0,1]=4 50 B9R1.12 NCCCN1CCCC1 3020430 [0,1,0,1,0,0|2,0,0]=4 51 B9R1.15 CCC1NCCNC1=O 4091140 [0,1,0,1,0,0|1,0,0]=3 52 B9R1.15 CCN1CCNCC1=O 4088235 [0,1,0,1,0,0|1,0,0]=3 53 B9R1.15 CC[C@@H]1CNCCN1C 4076384 [0,1,0,1,0,0|2,0,0]=4 54 B9R1.15 CC[C@H]1CNCCN1C 4071628 [0,1,0,1,0,0|2,0,0]=4 55 B9R1.22 CCN1CC(N)CC1=O 4014079 [0,1,0,1,0,0|1,0,0]=3 56 B9R1.33 CNCC1CCCN1C 4100050 [0,1,0,1,0,0|2,0,0]=4 57 B9R1.33 NCCN1CCCC1=O 4088871 [0,1,0,1,0,0|1,0,0]=3 58 B9R1.48 CC1CN(C)CCCN1 4089141 [0,1,0,1,0,0|2,0,0]=4 59 B9R1.48 C[C@@H]1CN(C)CCCN1 4072236 [0,1,0,1,0,0|2,0,0]=4 60 B9R1.48 C[C@H]1CN(C)CCCN1 4081265 [0,1,0,1,0,0|2,0,0]=4 61 B9R1.49 CC1CNC(=O)CCN1 4089332 [0,1,0,1,0,0|1,0,0]=3 62 B9R1.49 NC1CCNC(=O)CC1 4020296 [0,1,0,1,0,0|1,0,0]=3 63 B9R1.69 C[C@@H]1CN(C)CC[C@H]1N 4108966 [0,1,0,1,0,0|2,0,0]=4 64 B9R1.69 C[C@@H]1CN[C@H](C)C(=O)N1 4054379 [0,1,0,1,0,0|2,0,0]=4 65 B9R1.69 C[C@@H]1NC[C@@H](C)NC1=O 4082967 [0,1,0,1,0,0|2,0,0]=4 66 B9R1.69 C[C@H]1CN(C)CC[C@H]1N 4015681 [0,1,0,1,0,0|2,0,0]=4 67 B9R1.69 C[C@H]1CN[C@@H](C)C(=O)N1 4084559 [0,1,0,1,0,0|2,0,0]=4 68 B9R1.69 C[C@H]1CN[C@H](C)C(=O)N1 4059417 [0,1,0,1,0,0|2,0,0]=4 69 B9R1.69 C[C@H]1C[C@@H](N)CCN1C 4070676 [0,1,0,1,0,0|1,0,1]=4 70 B9R1.5 N[C@@H]1CCCCC[C@@H]1O 4046958 [0,1,0,1,0,0|0,0,2]=4 71 B9R1.66 CC1(C)CCNC(=O)C1 4036163 [0,1,0,1,0,0|1,0,0]=3 72 B9R1.89 CNC1CCCCCC1 4089903 [0,1,0,1,0,0|1,0,1]=4 73 B9R1.148 CC1(N)CCCCCC1 4089106 [0,1,0,1,0,0|1,0,1]=4 74 B9R2.39 O=C1N[C@@H]2CN[C@H]1C2 4082172 [0,0,0,2,0,0|2,0,0]=4 75 B9R2.7 O=C1C[C@@H]2CCO[C@H]12 4059800 [0,0,0,2,0,0|1,0,0]=3