0 B8R0.3 CCOC(=O)C(=O)CC 4013605 [0,0,0,0,0,0|1,0,1]=2 1 B7R0.3 CCCNC(C)CO 4027950 [1,0,0,0,0,0|3,0,0]=4 2 B7R0.3 CCCOC(C)CN 4031060 [1,0,0,0,0,0|3,0,0]=4 3 B7R0.3 CCOCC(O)CN 4001724 [1,0,0,0,0,0|2,0,1]=4 4 B7R0.5 CCNC(=O)C(C)Cl 4028638 [1,0,0,0,0,0|2,0,0]=3 5 B7R0.5 CN(C)C(=O)CCCl 4027165 [1,0,0,0,0,0|3,0,0]=4 6 B7R0.5 CN(C)C(=O)CCN 4033580 [1,0,0,0,0,0|3,0,0]=4 7 B7R0.5 CN(C)C(=O)CCO 4035245 [1,0,0,0,0,0|3,0,0]=4 8 B7R0.7 CCCC(C)NCC 4024861 [1,0,0,0,0,0|2,0,1]=4 9 B7R0.7 CCNC(=O)CCCl 4027744 [1,0,0,0,0,0|2,0,0]=3 10 B7R0.7 CCOC(=O)CCO 4040900 [1,0,0,0,0,0|1,0,0]=2 11 B7R0.7 CCOC(C)CNC 4030660 [1,0,0,0,0,0|2,0,1]=4 12 B7R0.10 CCC(C)C(=O)NN 4031480 [1,0,0,0,0,0|2,0,0]=3 13 B7R0.10 CCC(C)\C(N)=N\O 4043559 [1,0,0,0,0,0|3,0,0]=4 14 B7R0.10 CCC(N)C(=O)NC 4033837 [1,0,0,0,0,0|2,0,0]=3 15 B7R0.10 CCC(N)C(=O)NO 4045655 [1,0,0,0,0,0|3,0,0]=4 16 B7R0.10 CCN(C)C(=O)CCl 4027839 [1,0,0,0,0,0|2,0,0]=3 17 B7R0.10 CCN(C)C(C)CO 4027973 [1,0,0,0,0,0|3,0,0]=4 18 B7R0.10 CNC(=O)C(C)CN 4035379 [1,0,0,0,0,0|2,0,0]=3 19 B7R0.10 CNC(=O)C(C)NC 4034384 [1,0,0,0,0,0|2,0,0]=3 20 B7R0.10 CNC(C)C(=O)OC 4044238 [1,0,0,0,0,0|1,0,0]=2 21 B7R0.10 COC(=O)C(C)CN 4052567 [1,0,0,0,0,0|1,0,0]=2 22 B7R0.10 COC(C)C(=O)NN 4024075 [1,0,0,0,0,0|3,0,0]=4 23 B9R0.19 CCNC(=O)C(C)(C)CCl 4028205 [0,1,0,0,0,0|2,0,0]=3 24 B9R1.3 C[C@@H]1CNCC(=O)N1C 4067271 [0,0,0,1,0,0|3,0,0]=4 25 B9R1.3 C[C@H]1CNCC(=O)N1C 4051612 [0,0,0,1,0,0|3,0,0]=4 26 B9R1.5 CN1CCNCCC1=O 4036421 [0,0,0,1,0,0|3,0,0]=4 27 B9R1.15 CCC1NCCNC1=O 4004453 [0,0,0,1,0,0|2,0,0]=3 28 B9R1.15 CCC1SCCNC1=O 4045692 [0,0,0,1,0,0|2,0,0]=3 29 B9R1.15 CCN1CCCNC1=O 4040526 [0,0,0,1,0,0|2,0,0]=3 30 B9R1.15 CCN1CCNCC1=O 4011544 [0,0,0,1,0,0|3,0,0]=4 31 B6R0.1 CCC(C)CCN 4015078 [2,0,0,0,0,0|1,0,1]=4 32 B6R0.1 CCCC(=O)NN 3002586 [2,0,0,0,0,0|2,0,0]=4 33 B6R0.1 CCCC(N)CC 4028240 [2,0,0,0,0,0|1,0,1]=4 34 B6R0.1 CCCC(N)CC 4088911 [2,0,0,0,0,0|1,0,1]=4 35 B6R0.1 CCNC(=O)CBr 4023688 [2,0,0,0,0,0|2,0,0]=4 36 B6R0.1 CCNC(C)CC 4024881 [2,0,0,0,0,0|1,0,0]=3 37 B6R0.1 CCNC(C)CC 4089770 [2,0,0,0,0,0|1,0,0]=3 38 B6R0.1 CCNC(C)CO 4027506 [2,0,0,0,0,0|2,0,0]=4 39 B6R0.1 CCOC(C)CN 4029821 [2,0,0,0,0,0|1,0,0]=3 40 B6R0.1 CNC(=O)CCCl 4027989 [2,0,0,0,0,0|2,0,0]=4 41 B6R0.1 CNC(=O)CCO 4035059 [2,0,0,0,0,0|2,0,0]=4 42 B6R0.1 CNCC(=O)NC 4033340 [2,0,0,0,0,0|2,0,0]=4 43 B6R0.1 COC(=O)CCO 4041011 [2,0,0,0,0,0|1,0,0]=3 44 B6R0.6 CCOCCNC 4030249 [2,0,0,0,0,0|1,0,1]=4 45 B6R0.3 CC(C)C(=O)NN 3015435 [2,0,0,0,0,0|2,0,0]=4 46 B6R0.3 CN(C)C(=O)CN 4029380 [2,0,0,0,0,0|2,0,0]=4 47 B6R0.3 CN(C)C(=O)CO 4033769 [2,0,0,0,0,0|2,0,0]=4 48 B6R0.3 CNC(=O)C(C)Cl 4026929 [2,0,0,0,0,0|2,0,0]=4 49 B6R0.3 CNC(=O)C(C)N 4033710 [2,0,0,0,0,0|2,0,0]=4 50 B6R0.3 CNC(C)C(N)=O 4031071 [2,0,0,0,0,0|2,0,0]=4 51 B6R0.3 COC(C)C(=O)O 4020866 [2,0,0,0,0,0|1,0,0]=3 52 B6R0.3 CSC(C)C(=O)O 4034068 [2,0,0,0,0,0|1,0,0]=3 53 B8R0.8 CCCNC(C)C(C)C 4024851 [1,1,0,0,0,0|2,0,0]=4 54 B8R0.8 CCCNC(C)C(C)C 4088422 [1,1,0,0,0,0|2,0,0]=4 55 B8R0.11 CCCNC(CC)CC 4024896 [1,1,0,0,0,0|2,0,0]=4 56 B8R0.11 CCCNC(CC)CC 4088634 [1,1,0,0,0,0|2,0,0]=4 57 B8R0.2 CCC(Br)C(=O)N(C)C 4045008 [1,1,0,0,0,0|2,0,0]=4 58 B8R0.2 CCC(N)C(=O)N(C)C 4032154 [1,1,0,0,0,0|2,0,0]=4 59 B8R0.2 CCN(C)C(=O)C(C)Br 4028266 [1,1,0,0,0,0|2,0,0]=4 60 B8R0.23 CC(=O)CC(=O)C(C)C 4036300 [1,1,0,0,0,0|1,0,1]=4 61 B8R0.23 CC(C)NC(=O)C(C)Cl 4029320 [1,1,0,0,0,0|2,0,0]=4 62 B8R0.5 CC(C)NC(=O)CCCl 4032028 [1,1,0,0,0,0|2,0,0]=4 63 B8R0.13 CNC(=O)C(C)(C)CCl 4028260 [1,1,0,0,0,0|2,0,0]=4 64 B8R0.13 CNC(=O)C(C)(C)NC 4034492 [1,1,0,0,0,0|2,0,0]=4 65 B8R0.13 CNC(=O)C(C)(C)NC 4089260 [1,1,0,0,0,0|2,0,0]=4 66 B8R0.20 CCC(CN)N(C)CC 4028573 [1,1,0,0,0,0|2,0,0]=4 67 B8R0.20 CCC(NC)C(=O)OC 4043991 [1,1,0,0,0,0|0,0,0]=2 68 B8R0.20 CCC(OC)C(=O)NN 4024078 [1,1,0,0,0,0|2,0,0]=4 69 B8R0.20 CCC(OC)C(=O)NN 4089867 [1,1,0,0,0,0|2,0,0]=4 70 B8R0.20 CCN(CC)C(=O)CBr 4023672 [1,1,0,0,0,0|2,0,0]=4 71 B10R0.2 CCCC(N)CC(=O)OCC 4012463 [0,1,0,0,0,1|1,0,0]=3 72 B10R0.26 CCOC(=O)CC(N)C(C)C 4012462 [0,1,0,0,0,1|1,0,0]=3 73 B10R0.37 CCC(Br)C(=O)NC(C)(C)C 4024587 [0,2,0,0,0,0|2,0,0]=4 74 B8R1.2 BrCC1CCCOC1 4046211 [1,0,0,1,0,0|1,0,1]=4 75 B8R1.2 CCC1CCCNC1 4018855 [1,0,0,1,0,0|1,0,1]=4 76 B8R1.2 CCC1COCCN1 4021665 [1,0,0,1,0,0|1,0,1]=4 77 B8R1.2 CCC1COCCN1 4087890 [1,0,0,1,0,0|1,0,1]=4 78 B8R1.2 NCC1CCCOC1 4014028 [1,0,0,1,0,0|1,0,1]=4 79 B8R1.2 NCC1CCCOC1 4087864 [1,0,0,1,0,0|1,0,1]=4 80 B8R1.2 OCC1CCCOC1 4027028 [1,0,0,1,0,0|1,0,1]=4 81 B8R1.22 CC1CCCCCN1 4043402 [1,0,0,1,0,0|2,0,0]=4 82 B8R1.19 CC1(C)CCNC1=O 4035085 [1,0,0,1,0,0|1,0,0]=3 83 B8R1.4 CC1CCCC(=O)N1 4027532 [1,0,0,1,0,0|1,0,0]=3 84 B8R1.4 CC1COCC(=O)N1 4028237 [1,0,0,1,0,0|2,0,0]=4 85 B8R1.4 C[C@@H]1CNCC(=O)N1 4054334 [1,0,0,1,0,0|2,0,0]=4 86 B8R1.4 C[C@H]1CNCC(=O)N1 4108180 [1,0,0,1,0,0|2,0,0]=4 87 B8R1.11 CCC1CCNC1=O 4035898 [1,0,0,1,0,0|1,0,0]=3 88 B10R1.35 CCN1CC(CN)CC1=O 4002895 [0,0,0,1,0,1|2,0,0]=4 89 B10R1.35 CCN1CC(CO)CC1=O 4034970 [0,0,0,1,0,1|2,0,0]=4 90 B10R1.61 CC(C)C1NCCNC1=O 4016229 [0,1,0,1,0,0|2,0,0]=4 91 B10R1.94 CN1CCN(CCN)C1=O 4036605 [0,1,0,1,0,0|2,0,0]=4 92 B10R1.94 CN1CCN(CCN)C1=O 4091198 [0,1,0,1,0,0|2,0,0]=4 93 B10R1.212 CCOC(=O)C(=O)C1CC1 4045746 [0,1,0,1,0,0|1,0,1]=4 94 B10R1.230 CCC1(C)NCCNC1=O 4034892 [0,1,0,1,0,0|1,0,0]=3 95 B10R1.2 CCC1NCCN(C)C1=O 4016231 [0,1,0,1,0,0|2,0,0]=4 96 B10R1.2 CCN1CCNC(=O)C1C 4044255 [0,1,0,1,0,0|1,0,0]=3 97 B10R1.2 CCN1CCNC(C)C1=O 4005832 [0,1,0,1,0,0|1,0,0]=3 98 B10R1.4 NCCN1CCCCC1=O 4014128 [0,1,0,1,0,0|2,0,0]=4 99 B10R1.4 NCCN1CCCOC1=O 4014989 [0,1,0,1,0,0|1,0,0]=3 100 B10R1.4 O=C1NCCNC1CCO 4016235 [0,1,0,1,0,0|2,0,0]=4 101 B10R1.11 CCNC(=O)C1CCNC1 4030896 [0,1,0,1,0,0|1,0,0]=3 102 B10R1.140 CCOC(=O)C1CC(=O)C1 4108294 [0,1,0,1,0,0|0,0,1]=3 103 B10R2.61 O=C1N[C@H]2CCC[C@@H]1C2 4091297 [0,0,0,2,0,0|1,0,0]=3