0 B5R0.1 C#CCC(=O)O 4035749 [0,0,0,0,0,0|2,0,2]=4 1 B5R0.1 C=C(C)CNN 4045392 [0,0,0,0,0,0|4,0,0]=4 2 B5R0.1 CC(N)CCO 4027026 [0,0,0,0,0,0|3,0,1]=4 3 B5R0.1 CNCC(C)O 4035012 [0,0,0,0,0,0|2,0,2]=4 4 B5R0.1 COCC(=N)N 4018503 [0,0,0,0,0,0|4,0,0]=4 5 B5R0.1 NC(=O)CCO 4070037 [0,0,0,0,0,0|3,0,0]=3 6 B5R0.1 NCCC(N)=O 4034723 [0,0,0,0,0,0|3,0,0]=3 7 B4R0.1 CC(=O)CN 4035253 [1,0,0,0,0,0|1,0,0]=2 8 B4R0.1 CCC(=N)N 4012617 [1,0,0,0,0,0|2,0,0]=3 9 B4R0.1 CCC(=N)N 4090083 [1,0,0,0,0,0|2,0,0]=3 10 B4R0.1 N=C(N)CF 4028912 [1,0,0,0,0,0|3,0,0]=4 11 B4R0.2 CCCNN 4085300 [1,0,0,0,0,0|3,0,0]=4 12 B6R0.1 CCCC(=O)NN 3002586 [0,1,0,0,0,0|2,0,0]=3 13 B6R0.1 CCCC(N)CC 4028240 [0,1,0,0,0,0|2,0,1]=4 14 B6R0.1 CCCC(N)CC 4088911 [0,1,0,0,0,0|2,0,1]=4 15 B6R0.1 CCC\C(N)=N\O 4030621 [0,1,0,0,0,0|2,0,1]=4 16 B6R0.1 CCC\C(N)=N\O 4089955 [0,1,0,0,0,0|2,0,1]=4 17 B6R0.1 CCNC(=O)CBr 4023688 [0,1,0,0,0,0|1,0,0]=2 18 B6R0.1 CCNC(C)CC 4024881 [0,1,0,0,0,0|2,0,1]=4 19 B6R0.1 CCNC(C)CC 4089770 [0,1,0,0,0,0|2,0,1]=4 20 B6R0.1 CCNC(C)CO 4027506 [0,1,0,0,0,0|1,0,2]=4 21 B6R0.1 CCOC(C)CN 4029821 [0,1,0,0,0,0|1,1,1]=4 22 B6R0.1 CNC(=O)CCCl 4027989 [0,1,0,0,0,0|2,0,0]=3 23 B6R0.1 CNC(=O)CCO 4035059 [0,1,0,0,0,0|2,0,0]=3 24 B6R0.1 CNCC(=O)NC 4033340 [0,1,0,0,0,0|2,0,0]=3 25 B6R0.1 COC(=O)CCO 4041011 [0,1,0,0,0,0|2,0,0]=3 26 B6R0.2 CC(C)CC(=N)N 4012906 [0,1,0,0,0,0|3,0,0]=4 27 B6R0.3 CNC(C)C(N)=O 4031071 [0,1,0,0,0,0|3,0,0]=4 28 B6R0.3 COC(C)C(=O)O 4020866 [0,1,0,0,0,0|3,0,0]=4 29 B6R0.3 CSC(C)C(=O)O 4034068 [0,1,0,0,0,0|3,0,0]=4 30 B6R0.4 CC(C)SCCN 4012669 [0,1,0,0,0,0|1,0,1]=3 31 B6R0.4 CC(C)SCCN 4089980 [0,1,0,0,0,0|1,0,1]=3 32 B6R0.4 CCCCC(=N)N 4012905 [0,1,0,0,0,0|3,0,0]=4 33 B6R0.4 CCOCC(=N)N 4018504 [0,1,0,0,0,0|2,1,0]=4 34 B6R0.4 CCOCC(=N)N 4088124 [0,1,0,0,0,0|2,1,0]=4 35 B6R0.4 CNCCC(=O)O 4036102 [0,1,0,0,0,0|2,0,0]=3 36 B6R0.4 CNCCC(N)=O 4029061 [0,1,0,0,0,0|2,0,0]=3 37 B6R0.4 COCCC(C)=O 4022132 [0,1,0,0,0,0|1,0,0]=2 38 B6R0.4 CSCCC(=N)N 4042665 [0,1,0,0,0,0|3,0,0]=4 39 B6R0.4 NC(=O)CCCCl 4028442 [0,1,0,0,0,0|2,0,0]=3 40 B6R0.5 CS(=O)(=O)CCCl 4036406 [0,1,0,0,0,0|3,0,0]=4 41 B6R0.5 CS(=O)(=O)CCN 4030796 [0,1,0,0,0,0|3,0,0]=4 42 B6R1.3 CCNC1CC1 4110570 [0,0,0,1,0,0|2,0,1]=4 43 B6R1.10 CC1(N)CCC1 4042856 [0,0,0,1,0,0|2,0,1]=4 44 B6R1.11 CC(N)C1CC1 4004109 [0,0,0,1,0,0|2,0,1]=4 45 B6R1.11 CC(N)C1CC1 4088031 [0,0,0,1,0,0|2,0,1]=4 46 B6R1.11 N=C(N)C1CC1 4041549 [0,0,0,1,0,0|3,0,0]=4 47 B6R1.11 N=C(N)C1CC1 4088692 [0,0,0,1,0,0|3,0,0]=4 48 B5R0.3 CC[C@@H](O)CN 4036900 [1,1,0,0,0,0|0,0,2]=4 49 B5R0.3 CC\C(N)=N\O 4030035 [1,1,0,0,0,0|1,0,1]=4 50 B5R0.3 CC\C(N)=N\O 4089717 [1,1,0,0,0,0|1,0,1]=4 51 B5R0.3 CNC(=O)CBr 4023689 [1,1,0,0,0,0|1,0,0]=3 52 B5R0.3 CNC(=O)CCl 4031514 [1,1,0,0,0,0|1,0,0]=3 53 B5R0.3 CNC(=O)CN 4030580 [1,1,0,0,0,0|1,0,0]=3 54 B5R0.3 CNC(=O)CO 4032781 [1,1,0,0,0,0|1,0,0]=3 55 B5R0.5 CC(C)C(=N)N 4034735 [1,1,0,0,0,0|2,0,0]=4 56 B5R0.5 CC(C)C(=N)N 4088764 [1,1,0,0,0,0|2,0,0]=4 57 B5R0.5 CC(O)C(=N)N 4048497 [1,1,0,0,0,0|2,0,0]=4 58 B5R0.2 C=CCCCN 4075680 [1,1,0,0,0,0|1,0,1]=4 59 B5R0.2 C=CCCNC 4110731 [1,1,0,0,0,0|1,0,1]=4 60 B5R0.2 CNCCSC 4036386 [1,1,0,0,0,0|2,0,0]=4 61 B7R0.2 CC(C)CC(=O)NN 3014977 [0,2,0,0,0,0|2,0,0]=4 62 B7R0.2 CC(C)CC(=O)NN 4032888 [0,2,0,0,0,0|2,0,0]=4 63 B7R0.2 CC(C)NC(=O)CBr 4023681 [0,2,0,0,0,0|1,0,0]=3 64 B7R0.2 CC(C)NC(=O)CN 4030242 [0,2,0,0,0,0|1,0,0]=3 65 B7R0.2 CC(C)NC(=O)CN 4091078 [0,2,0,0,0,0|1,0,0]=3 66 B7R0.2 CC(O)CC(=O)NN 3015526 [0,2,0,0,0,0|2,0,0]=4 67 B7R0.2 CCC(C)CC(C)=O 4031282 [0,2,0,0,0,0|1,0,0]=3 68 B7R0.2 CCN(C)CC(=O)O 4026801 [0,2,0,0,0,0|2,0,0]=4 69 B7R0.2 CCN(C)CC(C)=O 4028374 [0,2,0,0,0,0|1,0,0]=3 70 B7R0.2 CCN(C)CC(C)=O 4088950 [0,2,0,0,0,0|1,0,0]=3 71 B7R0.2 CNC(C)CC(=O)O 4035495 [0,2,0,0,0,0|2,0,0]=4 72 B7R0.2 CNC(C)CC(N)=O 4043924 [0,2,0,0,0,0|2,0,0]=4 73 B7R0.3 CCC(=O)NCCN 4110359 [0,2,0,0,0,0|1,0,0]=3 74 B7R0.3 CCOCC(=O)NN 4024074 [0,2,0,0,0,0|1,1,0]=4 75 B7R0.3 CCOCC(=O)NN 4089996 [0,2,0,0,0,0|1,1,0]=4 76 B7R0.3 CNC(=O)CCCN 4030090 [0,2,0,0,0,0|1,0,0]=3 77 B7R0.3 CNCCC(=O)NC 4030744 [0,2,0,0,0,0|1,0,0]=3 78 B7R0.5 CC(=O)N(C)CCO 4036108 [0,2,0,0,0,0|1,0,0]=3 79 B7R0.5 CCNC(=O)C(C)Cl 4028638 [0,2,0,0,0,0|1,0,0]=3 80 B7R0.5 CCNC(C)C(N)=O 4030069 [0,2,0,0,0,0|1,0,1]=4 81 B7R0.5 CCNC(C)C(N)=O 4089759 [0,2,0,0,0,0|1,0,1]=4 82 B7R0.5 CCOC(C)C(=O)O 4020873 [0,2,0,0,0,0|0,1,1]=4 83 B7R0.5 CCSC(C)C(=O)O 4028492 [0,2,0,0,0,0|0,0,1]=3 84 B7R0.5 CN(C)C(=O)CCCl 4027165 [0,2,0,0,0,0|2,0,0]=4 85 B7R0.5 CN(C)C(=O)CCN 4033580 [0,2,0,0,0,0|2,0,0]=4 86 B7R0.5 CN(C)C(=O)CCO 4035245 [0,2,0,0,0,0|2,0,0]=4 87 B7R0.5 CNCC(C)C(=O)O 4043069 [0,2,0,0,0,0|2,0,0]=4 88 B7R0.7 CCNC(=O)CCCl 4027744 [0,2,0,0,0,0|1,0,0]=3 89 B7R0.7 CCOC(=O)CCO 4040900 [0,2,0,0,0,0|0,1,0]=3 90 B7R0.10 CCC(C)C(=O)NN 4031480 [0,2,0,0,0,0|2,0,0]=4 91 B7R0.10 CCC(N)C(=O)NC 4033837 [0,2,0,0,0,0|1,0,0]=3 92 B7R0.10 CCC(N)C(=O)NO 4045655 [0,2,0,0,0,0|2,0,0]=4 93 B7R0.10 CCN(C)C(=O)CCl 4027839 [0,2,0,0,0,0|1,0,0]=3 94 B7R0.10 CNC(=O)C(C)CN 4035379 [0,2,0,0,0,0|2,0,0]=4 95 B7R0.10 CNC(=O)C(C)NC 4034384 [0,2,0,0,0,0|2,0,0]=4 96 B7R0.10 CNC(C)C(=O)OC 4044238 [0,2,0,0,0,0|2,0,0]=4 97 B7R0.10 COC(=O)C(C)CN 4052567 [0,2,0,0,0,0|2,0,0]=4 98 B7R0.9 CC(=O)CC(F)(F)F 4034729 [0,2,0,0,0,0|2,0,0]=4 99 B7R0.16 CC(=O)C(=O)N(C)C 4051999 [0,2,0,0,0,0|2,0,0]=4 100 B7R0.15 CCC(NC)C(N)=O 4029111 [0,2,0,0,0,0|2,0,0]=4 101 B7R0.15 CCC(OC)C(=O)O 4020880 [0,2,0,0,0,0|2,0,0]=4 102 B7R0.4 C=CCSCC(=O)O 4026839 [0,2,0,0,0,0|1,0,1]=4 103 B7R0.4 CC(=O)NCCCO 4032317 [0,2,0,0,0,0|1,0,0]=3 104 B7R0.4 CCCOCC(=O)O 4020861 [0,2,0,0,0,0|1,1,0]=4 105 B7R0.4 CCCSCC(=O)O 4028731 [0,2,0,0,0,0|1,0,0]=3 106 B7R0.4 CCSCCC(=O)O 4028457 [0,2,0,0,0,0|1,0,0]=3 107 B7R0.6 CC(=O)CCN(C)C 4090669 [0,2,0,0,0,0|1,0,0]=3 108 B7R0.6 CC(=O)CCN(C)C 5108147 [0,2,0,0,0,0|1,0,0]=3 109 B7R0.6 CC(C)NCC(=O)O 4028411 [0,2,0,0,0,0|2,0,0]=4 110 B7R0.6 CC(C)OCC(=O)O 4020858 [0,2,0,0,0,0|1,1,0]=4 111 B7R0.6 CC(C)SCC(=O)O 4028613 [0,2,0,0,0,0|1,0,0]=3 112 B7R0.8 CC(C)(C)SCCN 4028606 [0,2,0,0,0,0|1,0,1]=4 113 B7R0.8 CS(=O)(=O)CCCO 4031323 [0,2,0,0,0,0|2,0,0]=4 114 B7R0.8 CS(=O)(=O)NCCN 4029868 [0,2,0,0,0,0|2,0,0]=4 115 B5R1.2 CC1CCN1 4040985 [1,0,0,1,0,0|1,0,1]=4 116 B5R1.2 OC1CCC1 4034696 [1,0,0,1,0,0|0,0,2]=4 117 B5R1.5 CC1(N)CC1 4021534 [1,0,0,1,0,0|1,0,1]=4 118 B5R1.1 C1CNOC1 4013261 [1,0,0,1,0,0|1,1,0]=4 119 B7R1.2 CC1CNC(=O)C1 4026755 [0,1,0,1,0,0|1,0,0]=3 120 B7R1.2 CC1CNC(=O)O1 4043936 [0,1,0,1,0,0|0,1,0]=3 121 B7R1.2 CC1COC(=O)N1 4045335 [0,1,0,1,0,0|1,0,0]=3 122 B7R1.3 CC1=CCNCC1 4036573 [0,1,0,1,0,0|2,0,0]=4 123 B7R1.3 O=C1CCCSC1 4021743 [0,1,0,1,0,0|0,0,0]=2 124 B7R1.3 O=C1CNCCN1 4102110 [0,1,0,1,0,0|1,0,0]=3 125 B7R1.3 O=C1NCCCO1 4035958 [0,1,0,1,0,0|0,1,0]=3 126 B7R1.4 NC1CCNC1=O 4110613 [0,1,0,1,0,0|1,0,0]=3 127 B7R1.22 NNC(=O)C1CC1 3014982 [0,1,0,1,0,0|2,0,0]=4 128 B7R1.20 CC(=O)CC1CC1 4002838 [0,1,0,1,0,0|1,0,0]=3