0 B6R0.2 CC(C)CC(=N)N 4012906 [0,0,0,0,0,0|3,0,0]=3 1 B5R0.1 CC(C)N=[N+]=[N-] 4041293 [1,0,0,0,0,0|3,0,0]=4 2 B5R0.1 CNCC(C)O 4035012 [1,0,0,0,0,0|3,0,0]=4 3 B5R0.1 NC(=O)CCO 4070037 [1,0,0,0,0,0|3,0,0]=4 4 B5R0.1 NCCC(N)=O 4034723 [1,0,0,0,0,0|3,0,0]=4 5 B7R0.2 CC(C)CC(=O)NN 3014977 [0,1,0,0,0,0|2,0,0]=3 6 B7R0.2 CC(C)CC(=O)NN 4032888 [0,1,0,0,0,0|2,0,0]=3 7 B7R0.2 CC(C)NC(=O)CBr 4023681 [0,1,0,0,0,0|1,0,0]=2 8 B7R0.2 CC(C)NC(=O)CN 4030242 [0,1,0,0,0,0|1,0,0]=2 9 B7R0.2 CC(C)NC(=O)CN 4091078 [0,1,0,0,0,0|1,0,0]=2 10 B7R0.2 CC(CN)CN(C)C 4027503 [0,1,0,0,0,0|3,0,0]=4 11 B7R0.2 CC(CO)CN(C)C 4027873 [0,1,0,0,0,0|3,0,0]=4 12 B7R0.2 CC(O)CC(=O)NN 3015526 [0,1,0,0,0,0|3,0,0]=4 13 B7R0.2 CCC(C)CC(=N)N 4012909 [0,1,0,0,0,0|3,0,0]=4 14 B7R0.2 CCC(C)CC(=N)N 4088237 [0,1,0,0,0,0|3,0,0]=4 15 B7R0.2 CCC(C)CC(C)=O 4031282 [0,1,0,0,0,0|1,0,0]=2 16 B7R0.2 CCN(C)CC(=O)O 4026801 [0,1,0,0,0,0|3,0,0]=4 17 B7R0.2 CCN(C)CC(C)=O 4028374 [0,1,0,0,0,0|2,0,0]=3 18 B7R0.2 CCN(C)CC(C)=O 4088950 [0,1,0,0,0,0|2,0,0]=3 19 B7R0.2 CNC(C)CC(=O)O 4035495 [0,1,0,0,0,0|2,0,0]=3 20 B7R0.2 CNC(C)CC(C)C 4027376 [0,1,0,0,0,0|2,0,1]=4 21 B7R0.2 CNC(C)CC(C)C 4089905 [0,1,0,0,0,0|2,0,1]=4 22 B7R0.2 CNC(C)CC(N)=O 4043924 [0,1,0,0,0,0|2,0,0]=3 23 B7R0.9 CC(=O)CC(F)(F)F 4034729 [0,1,0,0,0,0|3,0,0]=4 24 B7R0.9 CC(C)CC(C)(C)N 4043228 [0,1,0,0,0,0|2,0,1]=4 25 B7R0.9 CN(C)CC(C)(C)N 4035812 [0,1,0,0,0,0|3,0,0]=4 26 B7R0.16 CC(=O)C(=O)N(C)C 4051999 [0,1,0,0,0,0|2,0,0]=3 27 B7R0.16 CC(C(=O)O)N(C)C 4028231 [0,1,0,0,0,0|3,0,0]=4 28 B7R0.16 CC(C)C(N)C(C)C 4035462 [0,1,0,0,0,0|2,0,1]=4 29 B7R1.2 CC1CNC(=O)C1 4026755 [0,0,0,1,0,0|2,0,0]=3 30 B7R1.2 CC1CNC(=O)O1 4043936 [0,0,0,1,0,0|1,0,0]=2 31 B7R1.2 CC1COC(=O)N1 4045335 [0,0,0,1,0,0|2,0,0]=3 32 B7R1.20 CC(=O)CC1CC1 4002838 [0,0,0,1,0,0|1,0,0]=2 33 B7R1.20 N=C(N)NC1CC1 4032912 [0,0,0,1,0,0|3,0,0]=4 34 B5R0.5 CC(C)C(=N)N 4034735 [0,0,0,0,1,0|2,0,0]=3 35 B5R0.5 CC(C)C(=N)N 4088764 [0,0,0,0,1,0|2,0,0]=3 36 B5R0.5 CC(O)C(=N)N 4048497 [0,0,0,0,1,0|3,0,0]=4 37 B7R0.6 CC(=O)CCN(C)C 4090669 [0,0,0,0,0,1|2,0,0]=3 38 B7R0.6 CC(=O)CCN(C)C 5108147 [0,0,0,0,0,1|2,0,0]=3 39 B7R0.6 CC(C)CCC(=N)N 4012910 [0,0,0,0,0,1|3,0,0]=4 40 B7R0.6 CC(C)CCC(=N)N 4091144 [0,0,0,0,0,1|3,0,0]=4 41 B7R0.6 CC(C)CNC(C)C 4028720 [0,0,0,0,0,1|2,0,1]=4 42 B7R0.6 CC(C)CNC(C)C 4090247 [0,0,0,0,0,1|2,0,1]=4 43 B7R0.6 CC(C)NCC(=O)O 4028411 [0,0,0,0,0,1|2,0,0]=3 44 B7R0.6 CC(C)OCC(=O)O 4020858 [0,0,0,0,0,1|1,0,0]=2 45 B7R0.6 CC(C)SCC(=O)O 4028613 [0,0,0,0,0,1|1,1,0]=3 46 B4R0.1 CC(=O)CN 4035253 [2,0,0,0,0,0|1,0,0]=3 47 B4R0.1 CC(C)NN 4032832 [2,0,0,0,0,0|2,0,0]=4 48 B4R0.1 CCC(=N)N 4012617 [2,0,0,0,0,0|2,0,0]=4 49 B4R0.1 CCC(=N)N 4090083 [2,0,0,0,0,0|2,0,0]=4 50 B6R0.1 CCCC(=O)NN 3002586 [1,1,0,0,0,0|2,0,0]=4 51 B6R0.1 CCNC(=O)CBr 4023688 [1,1,0,0,0,0|1,0,0]=3 52 B6R0.1 CCNC(C)CC 4024881 [1,1,0,0,0,0|1,0,1]=4 53 B6R0.1 CCNC(C)CC 4089770 [1,1,0,0,0,0|1,0,1]=4 54 B6R0.1 CCNC(C)CO 4027506 [1,1,0,0,0,0|1,0,1]=4 55 B6R0.1 CCOC(C)CN 4029821 [1,1,0,0,0,0|0,0,1]=3 56 B6R0.1 CNC(=O)CCCl 4027989 [1,1,0,0,0,0|2,0,0]=4 57 B6R0.1 CNC(=O)CCO 4035059 [1,1,0,0,0,0|2,0,0]=4 58 B6R0.1 CNCC(=O)NC 4033340 [1,1,0,0,0,0|2,0,0]=4 59 B6R0.1 CNCC(C)OC 4031677 [1,1,0,0,0,0|2,0,0]=4 60 B6R0.1 COC(=O)CCO 4041011 [1,1,0,0,0,0|2,0,0]=4 61 B6R0.3 CNC(C)C(C)C 4027192 [1,1,0,0,0,0|2,0,0]=4 62 B6R0.4 C=CCNC(C)C 4026873 [1,1,0,0,0,0|1,0,1]=4 63 B6R0.4 C=CCNC(C)C 4090944 [1,1,0,0,0,0|1,0,1]=4 64 B6R0.4 CC(C)SCCN 4012669 [1,1,0,0,0,0|0,1,1]=4 65 B6R0.4 CC(C)SCCN 4089980 [1,1,0,0,0,0|0,1,1]=4 66 B6R0.4 CCOCC(=N)N 4018504 [1,1,0,0,0,0|2,0,0]=4 67 B6R0.4 CCOCC(=N)N 4088124 [1,1,0,0,0,0|2,0,0]=4 68 B6R0.4 CNCCC(=O)O 4036102 [1,1,0,0,0,0|2,0,0]=4 69 B6R0.4 CNCCC(N)=O 4029061 [1,1,0,0,0,0|2,0,0]=4 70 B6R0.4 COCCC(C)=O 4022132 [1,1,0,0,0,0|1,0,0]=3 71 B6R0.4 NC(=O)CCCCl 4028442 [1,1,0,0,0,0|2,0,0]=4 72 B6R0.5 CNCC(C)(C)C 4017477 [1,1,0,0,0,0|2,0,0]=4 73 B6R0.5 CNCC(C)(C)O 4085463 [1,1,0,0,0,0|2,0,0]=4 74 B6R0.5 COCC(C)(C)N 4017683 [1,1,0,0,0,0|2,0,0]=4 75 B6R0.7 CC(C)(C)C(=N)N 4034719 [0,1,0,0,1,0|2,0,0]=4 76 B6R0.7 CC(C)(N)C(N)=O 4029572 [0,1,0,0,1,0|1,0,0]=3 77 B6R0.7 CC(C)C(C)(C)N 4045550 [0,1,0,0,1,0|1,0,1]=4 78 B6R0.7 CC(N)C(C)(C)O 4035420 [0,1,0,0,1,0|1,0,1]=4 79 B8R0.9 CC(C)CNC(=O)CCl 4025710 [0,1,0,0,0,1|1,0,0]=3 80 B8R0.23 CC(=O)CC(=O)C(C)C 4036300 [0,1,0,0,0,1|1,0,0]=3 81 B8R0.23 CC(=O)CN(C)C(C)C 4028473 [0,1,0,0,0,1|1,0,0]=3 82 B8R0.23 CC(C)N(C)CC(=O)O 4027636 [0,1,0,0,0,1|2,0,0]=4 83 B8R0.23 CC(C)NC(=O)C(=O)O 4030323 [0,1,0,0,0,1|2,0,0]=4 84 B8R0.23 CC(C)OC(C)C(=O)O 4020867 [0,1,0,0,0,1|1,0,0]=3 85 B8R0.29 CC(C)(C)CCC(=O)O 4027662 [0,1,0,0,0,1|2,0,0]=4 86 B8R0.29 CC(C)(N)CCC(=O)O 4020441 [0,1,0,0,0,1|2,0,0]=4 87 B8R0.29 CC(C)(O)C#CC(=O)O 5858379 [0,1,0,0,0,1|2,0,0]=4 88 B8R0.2 CC(C)N(C)C(=O)CCl 4028437 [0,2,0,0,0,0|1,0,0]=3 89 B8R0.5 CC(=O)CN(C)CCO 4028287 [0,2,0,0,0,0|2,0,0]=4 90 B8R0.5 CC(C)NC(=O)CCCl 4032028 [0,2,0,0,0,0|1,0,0]=3 91 B8R0.16 COC(CC(=O)O)OC 4049868 [0,2,0,0,0,0|2,0,0]=4 92 B8R0.19 CCC(C)NC(=O)CCl 4028165 [0,2,0,0,0,0|1,0,0]=3 93 B8R0.19 CNC(=O)CC(C)NC 4034214 [0,2,0,0,0,0|1,0,0]=3 94 B8R0.19 CNC(=O)CC(C)NC 4088864 [0,2,0,0,0,0|1,0,0]=3 95 B8R0.24 CC(C)(C)NC(=O)CCl 4028666 [0,2,0,0,0,0|1,0,0]=3 96 B8R0.24 CC(C)(C)NC(=O)CN 4028896 [0,2,0,0,0,0|1,0,0]=3 97 B8R0.24 CC(C)(C)NC(=O)CN 4088560 [0,2,0,0,0,0|1,0,0]=3 98 B8R0.34 C=CC(C)(C)CC(=O)O 4032003 [0,2,0,0,0,0|2,0,0]=4 99 B8R0.34 CC(C)(CO)CC(=O)[O-] 4066008 [0,2,0,0,0,0|2,0,0]=4 100 B6R1.3 CCNC1CC1 4110570 [1,0,0,1,0,0|1,0,1]=4 101 B6R1.3 CNCC1CC1 4033531 [1,0,0,1,0,0|2,0,0]=4 102 B8R1.3 CC1=NNC(=O)CC1 3003063 [0,0,0,1,0,1|1,0,1]=4 103 B8R1.3 C[C@@H]1CNC(=O)CN1 4082079 [0,0,0,1,0,1|2,0,0]=4 104 B8R1.3 C[C@H]1CNC(=O)CN1 4084192 [0,0,0,1,0,1|2,0,0]=4 105 B8R1.3 O=C1CCC(O)CC1 4029093 [0,0,0,1,0,1|2,0,0]=4 106 B8R1.35 O=C(O)C#CC1CC1 5118948 [0,0,0,1,0,1|2,0,0]=4 107 B8R1.51 CC1(C)CCC(=O)C1 4042132 [0,0,0,1,0,1|1,0,0]=3 108 B8R1.51 CC1(C)CNC(=O)C1 4026748 [0,0,0,1,0,1|1,0,0]=3 109 B8R1.51 CC1(C)COC(=O)C1 4108200 [0,0,0,1,0,1|0,0,0]=2 110 B8R1.51 CC1(C)COC(=O)N1 4044911 [0,0,0,1,0,1|1,0,0]=3 111 B8R1.77 CC1(C)CC1C(=O)O 4031328 [0,0,0,1,0,1|2,0,0]=4 112 B8R1.1 CCC1COC(=O)N1 4044759 [0,1,0,1,0,0|2,0,0]=4 113 B8R1.1 NCC1CCC(=O)N1 4110532 [0,1,0,1,0,0|1,0,0]=3 114 B8R1.1 NCC1CNC(=O)C1 4002894 [0,1,0,1,0,0|2,0,0]=4 115 B8R1.1 O=C1CC(CBr)CN1 4076303 [0,1,0,1,0,0|2,0,0]=4 116 B8R1.1 O=C1CC(CO)CN1 4108826 [0,1,0,1,0,0|2,0,0]=4 117 B8R1.1 O=C1CCC(CBr)O1 4085450 [0,1,0,1,0,0|0,0,0]=2 118 B8R1.1 O=C1CCC(CI)N1 4110716 [0,1,0,1,0,0|1,0,0]=3 119 B8R1.4 CC1CCCC(=O)N1 4027532 [0,1,0,1,0,0|1,0,0]=3 120 B8R1.4 CC1COCC(=O)N1 4028237 [0,1,0,1,0,0|1,0,0]=3 121 B8R1.4 C[C@@H]1CNCC(=O)N1 4054334 [0,1,0,1,0,0|1,0,0]=3 122 B8R1.4 C[C@H]1CNCC(=O)N1 4108180 [0,1,0,1,0,0|1,0,0]=3 123 B8R1.18 CC1=C(C)OC(=O)N1 4044048 [0,1,0,1,0,0|1,0,1]=4 124 B8R1.18 CN1CC(N)CC1=O 4014078 [0,1,0,1,0,0|2,0,0]=4 125 B8R1.34 O=C(O)CC1CCC1 4028895 [0,1,0,1,0,0|2,0,0]=4 126 B8R1.40 NCC(=O)NC1CC1 4031002 [0,1,0,1,0,0|1,0,0]=3 127 B8R1.40 O=C(CCl)NC1CC1 4027313 [0,1,0,1,0,0|1,0,0]=3 128 B8R1.42 CC(=O)CC1(C)CC1 4002837 [0,1,0,1,0,0|1,0,0]=3 129 B8R0.28 CC(C)NCCC(N)=O 4029400 [0,0,0,0,0,2|2,0,0]=4