0 B5R0.1 CC(C)N=[N+]=[N-] 4041293 [0,0,0,0,0,0|3,0,0]=3 1 B5R0.1 CC(N)CCO 4027026 [0,0,0,0,0,0|2,0,2]=4 2 B5R0.1 CC(O)CNN 4028962 [0,0,0,0,0,0|4,0,0]=4 3 B5R0.1 CNCC(C)O 4035012 [0,0,0,0,0,0|4,0,0]=4 4 B4R0.1 CC(C)NN 4032832 [1,0,0,0,0,0|2,0,0]=3 5 B4R0.2 CCCNN 4085300 [1,0,0,0,0,0|3,0,0]=4 6 B6R0.1 C=CCC(O)CN 4080175 [0,1,0,0,0,0|3,0,0]=4 7 B6R0.1 CCC(C)CCN 4015078 [0,1,0,0,0,0|2,0,1]=4 8 B6R0.1 CCNC(C)CC 4024881 [0,1,0,0,0,0|2,0,1]=4 9 B6R0.1 CCNC(C)CC 4089770 [0,1,0,0,0,0|2,0,1]=4 10 B6R0.1 CCNC(C)CO 4027506 [0,1,0,0,0,0|2,0,1]=4 11 B6R0.1 CCOC(C)CN 4029821 [0,1,0,0,0,0|1,0,1]=3 12 B6R0.1 CNC(C)CCO 4027121 [0,1,0,0,0,0|1,0,2]=4 13 B6R0.1 CNCC(C)OC 4031677 [0,1,0,0,0,0|3,0,0]=4 14 B6R0.1 COC(C)CCN 4043534 [0,1,0,0,0,0|2,0,1]=4 15 B6R0.2 CC(C)CC(=N)N 4012906 [0,1,0,0,0,0|2,0,0]=3 16 B6R0.3 CC(C)C(=O)NN 3015435 [0,1,0,0,0,0|3,0,0]=4 17 B6R0.3 CC(C)C(O)CN 4038941 [0,1,0,0,0,0|2,0,1]=4 18 B6R0.3 CC(C)\C(N)=N\O 4031815 [0,1,0,0,0,0|2,0,1]=4 19 B6R0.3 CNC(C)C(C)C 4027192 [0,1,0,0,0,0|3,0,0]=4 20 B6R0.4 C=CCNC(C)C 4026873 [0,1,0,0,0,0|2,0,0]=3 21 B6R0.4 C=CCNC(C)C 4090944 [0,1,0,0,0,0|2,0,0]=3 22 B6R0.4 CC(C)SCCN 4012669 [0,1,0,0,0,0|1,1,1]=4 23 B6R0.4 CC(C)SCCN 4089980 [0,1,0,0,0,0|1,1,1]=4 24 B6R0.5 CC(C)(C)CNN 4043230 [0,1,0,0,0,0|3,0,0]=4 25 B6R0.5 CC(C)(O)CCCl 4047844 [0,1,0,0,0,0|2,0,1]=4 26 B6R0.5 CC(C)(O)CCN 4044047 [0,1,0,0,0,0|2,0,1]=4 27 B6R0.5 CC(C)(O)CNN 4085384 [0,1,0,0,0,0|3,0,0]=4 28 B6R0.5 CNCC(C)(C)C 4017477 [0,1,0,0,0,0|3,0,0]=4 29 B6R0.5 CNCC(C)(C)O 4085463 [0,1,0,0,0,0|3,0,0]=4 30 B6R0.5 COCC(C)(C)N 4017683 [0,1,0,0,0,0|3,0,0]=4 31 B6R1.2 CC1CNOC1 4040895 [0,0,0,1,0,0|2,0,1]=4 32 B6R1.3 CCNC1CC1 4110570 [0,0,0,1,0,0|2,0,1]=4 33 B6R1.3 CNCC1CC1 4033531 [0,0,0,1,0,0|3,0,0]=4 34 B5R0.3 CC(CN)CO 4036254 [1,1,0,0,0,0|0,0,2]=4 35 B5R0.3 CNC(C)CO 4028640 [1,1,0,0,0,0|0,0,2]=4 36 B5R0.3 COC(C)C#N 4045776 [1,1,0,0,0,0|0,0,2]=4 37 B5R0.3 COC(C)CN 4031070 [1,1,0,0,0,0|0,0,1]=3 38 B5R0.3 COC(C)CO 4045600 [1,1,0,0,0,0|0,0,1]=3 39 B5R0.5 CC(C)C(=N)N 4034735 [1,1,0,0,0,0|1,0,0]=3 40 B5R0.5 CC(C)C(=N)N 4088764 [1,1,0,0,0,0|1,0,0]=3 41 B5R0.5 CC(O)C(=N)N 4048497 [1,1,0,0,0,0|2,0,0]=4 42 B5R0.2 C=CCCCN 4075680 [1,1,0,0,0,0|2,0,0]=4 43 B5R0.2 C=CCCNC 4110731 [1,1,0,0,0,0|2,0,0]=4 44 B7R0.2 CC(C)CC(=O)NN 3014977 [0,2,0,0,0,0|1,0,0]=3 45 B7R0.2 CC(C)CC(=O)NN 4032888 [0,2,0,0,0,0|1,0,0]=3 46 B7R0.2 CC(C)NC(=O)CBr 4023681 [0,2,0,0,0,0|1,0,0]=3 47 B7R0.2 CC(C)NC(=O)CN 4030242 [0,2,0,0,0,0|1,0,0]=3 48 B7R0.2 CC(C)NC(=O)CN 4091078 [0,2,0,0,0,0|1,0,0]=3 49 B7R0.2 CC(O)CC(=O)NN 3015526 [0,2,0,0,0,0|2,0,0]=4 50 B7R0.2 CCC(C)CC(=N)N 4012909 [0,2,0,0,0,0|2,0,0]=4 51 B7R0.2 CCC(C)CC(=N)N 4088237 [0,2,0,0,0,0|2,0,0]=4 52 B7R0.2 CCC(C)CC(C)=O 4031282 [0,2,0,0,0,0|1,0,0]=3 53 B7R0.2 CCN(C)CC(=O)O 4026801 [0,2,0,0,0,0|2,0,0]=4 54 B7R0.2 CCN(C)CC(C)=O 4028374 [0,2,0,0,0,0|2,0,0]=4 55 B7R0.2 CCN(C)CC(C)=O 4088950 [0,2,0,0,0,0|2,0,0]=4 56 B7R0.2 CNC(C)CC(=O)O 4035495 [0,2,0,0,0,0|1,0,0]=3 57 B7R0.2 CNC(C)CC(N)=O 4043924 [0,2,0,0,0,0|1,0,0]=3 58 B7R0.3 CCCOC(C)CN 4031060 [0,2,0,0,0,0|1,0,1]=4 59 B7R0.7 CCOC(C)CNC 4030660 [0,2,0,0,0,0|1,0,1]=4 60 B7R0.12 CCOC(CC)CN 4031082 [0,2,0,0,0,0|1,0,1]=4 61 B7R0.12 CCOC(CC)CN 4091080 [0,2,0,0,0,0|1,0,1]=4 62 B7R0.16 CC(=O)C(=O)N(C)C 4051999 [0,2,0,0,0,0|2,0,0]=4 63 B7R0.16 CC(C(=O)O)N(C)C 4028231 [0,2,0,0,0,0|2,0,0]=4 64 B7R0.4 C=CCNCC(C)C 4029119 [0,2,0,0,0,0|2,0,0]=4 65 B7R0.4 CC(C)OCCCO 4034289 [0,2,0,0,0,0|0,0,2]=4 66 B7R0.6 CC(=O)CCN(C)C 4090669 [0,2,0,0,0,0|2,0,0]=4 67 B7R0.6 CC(=O)CCN(C)C 5108147 [0,2,0,0,0,0|2,0,0]=4 68 B7R0.6 CC(C)CCC(=N)N 4012910 [0,2,0,0,0,0|2,0,0]=4 69 B7R0.6 CC(C)CCC(=N)N 4091144 [0,2,0,0,0,0|2,0,0]=4 70 B7R0.6 CC(C)NCC(=O)O 4028411 [0,2,0,0,0,0|1,0,0]=3 71 B7R0.6 CC(C)OCC(=O)O 4020858 [0,2,0,0,0,0|0,0,0]=2 72 B7R0.6 CC(C)SCC(=O)O 4028613 [0,2,0,0,0,0|0,1,0]=3 73 B7R0.8 CCOCC(C)(C)N 4026868 [0,2,0,0,0,0|1,0,1]=4 74 B5R1.2 CC1CCN1 4040985 [1,0,0,1,0,0|1,0,1]=4 75 B5R1.1 C1CNOC1 4013261 [1,0,0,1,0,0|2,0,0]=4 76 B7R1.2 CC1CNC(=O)C1 4026755 [0,1,0,1,0,0|1,0,0]=3 77 B7R1.2 CC1CNC(=O)O1 4043936 [0,1,0,1,0,0|0,0,0]=2 78 B7R1.2 CC1COC(=O)N1 4045335 [0,1,0,1,0,0|1,0,0]=3 79 B7R1.3 CC1CNCCO1 4019021 [0,1,0,1,0,0|1,0,1]=4 80 B7R1.3 C[C@H]1CNCCO1 4038541 [0,1,0,1,0,0|1,0,1]=4 81 B7R1.20 CC(=O)CC1CC1 4002838 [0,1,0,1,0,0|1,0,0]=3 82 B7R1.20 N=C(N)NC1CC1 4032912 [0,1,0,1,0,0|2,0,0]=4