0 B4R0.2 C=C=CCN 4085485 [0,0,0,0,0,0|2,0,2]=4 1 B4R0.2 CCCNN 4085300 [0,0,0,0,0,0|2,0,0]=2 2 B5R0.1 C#CCC(=O)O 4035749 [0,1,0,0,0,0|0,0,2]=3 3 B5R0.1 C=C(C)CNN 4045392 [0,1,0,0,0,0|2,0,1]=4 4 B5R0.1 CC(C)N=[N+]=[N-] 4041293 [0,1,0,0,0,0|3,0,0]=4 5 B5R0.1 CC(N)CCO 4027026 [0,1,0,0,0,0|0,0,2]=3 6 B5R0.1 CC(O)CNN 4028962 [0,1,0,0,0,0|2,0,0]=3 7 B5R0.1 CNCC(C)O 4035012 [0,1,0,0,0,0|2,0,0]=3 8 B5R0.1 COCC(=N)N 4018503 [0,1,0,0,0,0|2,0,0]=3 9 B5R0.1 NC(=O)CCO 4070037 [0,1,0,0,0,0|1,0,0]=2 10 B5R0.1 NCCC(N)=O 4034723 [0,1,0,0,0,0|1,0,0]=2 11 B5R0.2 C#CCCCBr 4079721 [0,1,0,0,0,0|1,0,1]=3 12 B5R0.2 C#CCCCN 4063954 [0,1,0,0,0,0|1,0,1]=3 13 B5R0.2 C=CCCCN 4075680 [0,1,0,0,0,0|1,0,0]=2 14 B5R0.2 C=CCCNC 4110731 [0,1,0,0,0,0|1,0,0]=2 15 B5R0.2 CNCCSC 4036386 [0,1,0,0,0,0|2,0,0]=3 16 B5R0.2 COCCNN 4108243 [0,1,0,0,0,0|2,0,0]=3 17 B5R0.2 NNCCCO 4085333 [0,1,0,0,0,0|2,0,0]=3 18 B5R0.3 CC(CN)CO 4036254 [0,1,0,0,0,0|1,0,2]=4 19 B5R0.3 CC[C@@H](O)CN 4036900 [0,1,0,0,0,0|1,0,1]=3 20 B5R0.3 CC\C(N)=N\O 4030035 [0,1,0,0,0,0|1,0,2]=4 21 B5R0.3 CC\C(N)=N\O 4089717 [0,1,0,0,0,0|1,0,2]=4 22 B5R0.3 CNC(C)CO 4028640 [0,1,0,0,0,0|1,0,2]=4 23 B5R0.3 COC(C)C#N 4045776 [0,1,0,0,0,0|2,0,1]=4 24 B5R0.3 COC(C)CN 4031070 [0,1,0,0,0,0|2,0,1]=4 25 B5R0.3 COC(C)CO 4045600 [0,1,0,0,0,0|1,0,2]=4 26 B5R1.1 C1CNOC1 4013261 [0,0,0,1,0,0|1,0,1]=3 27 B5R1.2 CC1CCN1 4040985 [0,0,0,1,0,0|1,0,1]=3 28 B5R1.2 FC1CNC1 4108317 [0,0,0,1,0,0|2,0,1]=4 29 B5R1.2 OC1CCC1 4034696 [0,0,0,1,0,0|0,0,2]=3 30 B5R1.2 OC1CNC1 4002252 [0,0,0,1,0,0|1,0,2]=4 31 B5R1.2 OC1CSC1 4042896 [0,0,0,1,0,0|1,0,2]=4 32 B4R0.1 CC(=O)CN 4035253 [1,1,0,0,0,0|1,0,0]=3 33 B4R0.1 CC(C)NN 4032832 [1,1,0,0,0,0|2,0,0]=4 34 B4R0.1 CCC(=N)N 4012617 [1,1,0,0,0,0|1,0,0]=3 35 B4R0.1 CCC(=N)N 4090083 [1,1,0,0,0,0|1,0,0]=3 36 B4R0.1 N=C(N)CF 4028912 [1,1,0,0,0,0|2,0,0]=4 37 B6R0.1 C=CCC(O)CN 4080175 [0,2,0,0,0,0|1,0,0]=3 38 B6R0.1 CCC(C)CCN 4015078 [0,2,0,0,0,0|1,0,1]=4 39 B6R0.1 CCC(O)CNN 4030953 [0,2,0,0,0,0|1,0,1]=4 40 B6R0.1 CCCC(=O)NN 3002586 [0,2,0,0,0,0|0,0,0]=2 41 B6R0.1 CCCC(N)CC 4028240 [0,2,0,0,0,0|1,0,1]=4 42 B6R0.1 CCCC(N)CC 4088911 [0,2,0,0,0,0|1,0,1]=4 43 B6R0.1 CCC\C(N)=N\O 4030621 [0,2,0,0,0,0|0,0,1]=3 44 B6R0.1 CCC\C(N)=N\O 4089955 [0,2,0,0,0,0|0,0,1]=3 45 B6R0.1 CCNC(=O)CBr 4023688 [0,2,0,0,0,0|1,0,0]=3 46 B6R0.1 CCNC(C)CC 4024881 [0,2,0,0,0,0|1,0,1]=4 47 B6R0.1 CCNC(C)CC 4089770 [0,2,0,0,0,0|1,0,1]=4 48 B6R0.1 CCNC(C)CO 4027506 [0,2,0,0,0,0|0,0,2]=4 49 B6R0.1 CCOC(C)CN 4029821 [0,2,0,0,0,0|1,0,1]=4 50 B6R0.1 CNC(=O)CCCl 4027989 [0,2,0,0,0,0|1,0,0]=3 51 B6R0.1 CNC(=O)CCO 4035059 [0,2,0,0,0,0|1,0,0]=3 52 B6R0.1 CNC(C)CCO 4027121 [0,2,0,0,0,0|0,0,2]=4 53 B6R0.1 CNCC(=O)NC 4033340 [0,2,0,0,0,0|1,0,0]=3 54 B6R0.1 CNCC(C)OC 4031677 [0,2,0,0,0,0|2,0,0]=4 55 B6R0.1 COC(=O)CCO 4041011 [0,2,0,0,0,0|1,0,0]=3 56 B6R0.1 COC(C)CCN 4043534 [0,2,0,0,0,0|1,0,1]=4 57 B6R0.1 COCC(N)CO 4030437 [0,2,0,0,0,0|0,0,2]=4 58 B6R0.1 COCC(O)CN 4001723 [0,2,0,0,0,0|1,0,1]=4 59 B6R0.1 COC\C(N)=N\O 4043775 [0,2,0,0,0,0|1,0,1]=4 60 B6R0.1 CSC\C(N)=N\O 4042689 [0,2,0,0,0,0|1,0,1]=4 61 B6R0.1 N\C(CCO)=N/O 4044130 [0,2,0,0,0,0|1,0,1]=4 62 B6R0.2 CC(C)CC(=N)N 4012906 [0,2,0,0,0,0|1,0,0]=3 63 B6R0.2 NC(=O)CC(=O)O 4027194 [0,2,0,0,0,0|1,0,1]=4 64 B6R0.3 CC(C)C(O)CN 4038941 [0,2,0,0,0,0|1,0,1]=4 65 B6R0.3 CNC(C)C(C)C 4027192 [0,2,0,0,0,0|2,0,0]=4 66 B6R0.3 CNC(C)C(N)=O 4031071 [0,2,0,0,0,0|1,0,0]=3 67 B6R0.3 COC(C)C(=O)O 4020866 [0,2,0,0,0,0|1,0,0]=3 68 B6R0.3 CSC(C)C(=O)O 4034068 [0,2,0,0,0,0|1,0,0]=3 69 B6R0.4 C=CCNC(C)C 4026873 [0,2,0,0,0,0|1,0,0]=3 70 B6R0.4 C=CCNC(C)C 4090944 [0,2,0,0,0,0|1,0,0]=3 71 B6R0.4 CC(C)SCCN 4012669 [0,2,0,0,0,0|1,0,1]=4 72 B6R0.4 CC(C)SCCN 4089980 [0,2,0,0,0,0|1,0,1]=4 73 B6R0.4 CCCCC(=N)N 4012905 [0,2,0,0,0,0|1,0,0]=3 74 B6R0.4 CCOCC(=N)N 4018504 [0,2,0,0,0,0|1,0,0]=3 75 B6R0.4 CCOCC(=N)N 4088124 [0,2,0,0,0,0|1,0,0]=3 76 B6R0.4 CNCCC(=O)O 4036102 [0,2,0,0,0,0|0,0,0]=2 77 B6R0.4 CNCCC(N)=O 4029061 [0,2,0,0,0,0|0,0,0]=2 78 B6R0.4 COCCC(C)=O 4022132 [0,2,0,0,0,0|0,0,0]=2 79 B6R0.4 CSCCC(=N)N 4042665 [0,2,0,0,0,0|1,0,0]=3 80 B6R0.4 NC(=O)CCCCl 4028442 [0,2,0,0,0,0|0,0,0]=2 81 B6R0.5 CC(C)(C)CNN 4043230 [0,2,0,0,0,0|2,0,0]=4 82 B6R0.5 CC(C)(O)CCCl 4047844 [0,2,0,0,0,0|1,0,1]=4 83 B6R0.5 CC(C)(O)CCN 4044047 [0,2,0,0,0,0|1,0,1]=4 84 B6R0.5 CC(C)(O)CNN 4085384 [0,2,0,0,0,0|2,0,0]=4 85 B6R0.5 CNCC(C)(C)C 4017477 [0,2,0,0,0,0|2,0,0]=4 86 B6R0.5 CNCC(C)(C)O 4085463 [0,2,0,0,0,0|2,0,0]=4 87 B6R0.5 COCC(C)(C)N 4017683 [0,2,0,0,0,0|2,0,0]=4 88 B6R0.5 CS(=O)(=O)CCCl 4036406 [0,2,0,0,0,0|2,0,0]=4 89 B6R0.5 CS(=O)(=O)CCN 4030796 [0,2,0,0,0,0|2,0,0]=4 90 B6R0.6 C#CCNCC=C 4013089 [0,2,0,0,0,0|1,0,1]=4 91 B6R0.6 C#CCNCC=C 7355693 [0,2,0,0,0,0|1,0,1]=4 92 B6R0.6 C=CCCCCN 4067494 [0,2,0,0,0,0|1,0,0]=3 93 B6R0.6 C=CCNCCC 4031693 [0,2,0,0,0,0|1,0,0]=3 94 B6R0.6 CCCSCCN 4033597 [0,2,0,0,0,0|1,0,1]=4 95 B6R0.6 CCCSCCN 4089004 [0,2,0,0,0,0|1,0,1]=4 96 B6R0.6 CCOCCNC 4030249 [0,2,0,0,0,0|1,0,1]=4 97 B6R0.6 CNCCCOC 4021520 [0,2,0,0,0,0|0,0,2]=4 98 B6R0.6 COCCN=C=O 4027817 [0,2,0,0,0,0|0,0,1]=3 99 B6R0.6 FCCCCCBr 4041608 [0,2,0,0,0,0|1,0,1]=4 100 B6R0.8 C=CC(C)(C)CO 4071188 [0,2,0,0,0,0|2,0,0]=4 101 B6R0.8 CCC(C)(N)CC 4035688 [0,2,0,0,0,0|1,0,1]=4 102 B6R0.9 CCC(CC)CN 4034714 [0,2,0,0,0,0|1,0,1]=4 103 B6R0.9 CCC(CC)NC 4027066 [0,2,0,0,0,0|1,0,1]=4 104 B6R0.9 CCC(CC)NC 4090629 [0,2,0,0,0,0|1,0,1]=4 105 B6R0.9 CCC(CN)OC 4031411 [0,2,0,0,0,0|1,0,1]=4 106 B6R1.2 CC1CNOC1 4040895 [0,1,0,1,0,0|1,0,1]=4 107 B6R1.2 NC1CCOC1 4003522 [0,1,0,1,0,0|0,0,2]=4 108 B6R1.2 OC1CNOC1 4044152 [0,1,0,1,0,0|1,0,1]=4 109 B6R1.3 CCNC1CC1 4110570 [0,1,0,1,0,0|1,0,1]=4 110 B6R1.3 CNCC1CC1 4033531 [0,1,0,1,0,0|1,0,1]=4 111 B6R1.5 N[C@H]1C[C@@H](O)C1 4054153 [0,1,0,1,0,0|0,0,2]=4 112 B6R1.5 N[C@H]1C[C@H](O)C1 4046339 [0,1,0,1,0,0|0,0,2]=4 113 B6R1.10 CC1(N)CCC1 4042856 [0,1,0,1,0,0|1,0,1]=4 114 B6R1.11 CC(N)C1CC1 4004109 [0,1,0,1,0,0|1,0,1]=4 115 B6R1.11 CC(N)C1CC1 4088031 [0,1,0,1,0,0|1,0,1]=4 116 B6R1.11 N=C(N)C1CC1 4041549 [0,1,0,1,0,0|1,0,0]=3 117 B6R1.11 N=C(N)C1CC1 4088692 [0,1,0,1,0,0|1,0,0]=3 118 B6R1.1 C1=CCONC1 4044151 [0,1,0,1,0,0|2,0,0]=4 119 B6R1.1 C1CCONC1 4013260 [0,1,0,1,0,0|0,0,2]=4 120 B6R1.6 NCC1CCC1 4003518 [0,1,0,1,0,0|1,0,1]=4 121 B6R1.7 CCC1(N)CC1 4021535 [0,1,0,1,0,0|1,0,1]=4