0 B6R0.2 CC(C)CC(=N)N 4012906 [0,0,0,0,0,0|2,0,2]=4 1 B6R0.2 NC(=O)CC(=O)O 4027194 [0,0,0,0,0,0|3,0,1]=4 2 B6R0.2 NC(N)=C[N+](=O)[O-] 4036725 [0,0,0,0,0,0|4,0,0]=4 3 B7R0.2 CC(C)CC(=O)NN 3014977 [0,1,0,0,0,0|1,0,2]=4 4 B7R0.2 CC(C)CC(=O)NN 4032888 [0,1,0,0,0,0|1,0,2]=4 5 B7R0.2 CC(C)NC(=O)CBr 4023681 [0,1,0,0,0,0|1,0,1]=3 6 B7R0.2 CC(C)NC(=O)CN 4030242 [0,1,0,0,0,0|1,0,1]=3 7 B7R0.2 CC(C)NC(=O)CN 4091078 [0,1,0,0,0,0|1,0,1]=3 8 B7R0.2 CCC(C)CC(C)=O 4031282 [0,1,0,0,0,0|0,0,2]=3 9 B7R0.2 CCN(C)CC(=O)O 4026801 [0,1,0,0,0,0|2,0,1]=4 10 B7R0.2 CCN(C)CC(C)=O 4028374 [0,1,0,0,0,0|1,0,1]=3 11 B7R0.2 CCN(C)CC(C)=O 4088950 [0,1,0,0,0,0|1,0,1]=3 12 B7R0.2 CNC(=O)CC(=N)N 4043145 [0,1,0,0,0,0|2,0,1]=4 13 B7R0.2 CNC(=O)CC(=O)O 4027258 [0,1,0,0,0,0|2,0,1]=4 14 B7R0.2 CNC(C)CC(=O)O 4035495 [0,1,0,0,0,0|1,0,2]=4 15 B7R0.2 CNC(C)CC(N)=O 4043924 [0,1,0,0,0,0|1,0,2]=4 16 B7R0.2 COC(=O)CC(=N)N 4042869 [0,1,0,0,0,0|2,0,1]=4 17 B7R0.16 CC(=O)C(=O)N(C)C 4051999 [0,1,0,0,0,0|1,0,0]=2 18 B7R0.16 CC(Br)C(=O)N(C)C 4027414 [0,1,0,0,0,0|2,0,1]=4 19 B7R0.16 CC(C(=O)O)N(C)C 4028231 [0,1,0,0,0,0|2,0,1]=4 20 B7R0.16 CC(N)C(=O)N(C)C 4033000 [0,1,0,0,0,0|2,0,1]=4 21 B7R0.16 CC(N)C(=O)N(C)C 4088550 [0,1,0,0,0,0|2,0,1]=4 22 B7R0.16 CC(O)C(=O)N(C)C 4035486 [0,1,0,0,0,0|1,0,2]=4 23 B7R1.2 CC1=NN=C(C)N1 4030190 [0,0,0,1,0,0|3,0,0]=4 24 B7R1.2 CC1=NNC(Br)=C1 4074511 [0,0,0,1,0,0|3,0,0]=4 25 B7R1.2 CC1=NNC(Cl)=C1 4029847 [0,0,0,1,0,0|3,0,0]=4 26 B7R1.2 CC1CNC(=O)C1 4026755 [0,0,0,1,0,0|1,0,2]=4 27 B7R1.2 CC1CNC(=O)O1 4043936 [0,0,0,1,0,0|2,0,1]=4 28 B7R1.2 CC1COC(=O)N1 4045335 [0,0,0,1,0,0|2,0,1]=4 29 B7R1.20 CC(=O)CC1CC1 4002838 [0,0,0,1,0,0|0,0,2]=3 30 B5R0.5 CC(C)C(=N)N 4034735 [0,0,0,0,1,0|2,0,1]=4 31 B5R0.5 CC(C)C(=N)N 4088764 [0,0,0,0,1,0|2,0,1]=4 32 B7R0.6 CC(=O)CCN(C)C 4090669 [0,0,0,0,0,1|1,0,1]=3 33 B7R0.6 CC(=O)CCN(C)C 5108147 [0,0,0,0,0,1|1,0,1]=3 34 B7R0.6 CC(C)NCC(=O)O 4028411 [0,0,0,0,0,1|1,0,2]=4 35 B7R0.6 CC(C)OCC(=O)O 4020858 [0,0,0,0,0,1|1,0,2]=4 36 B7R0.6 CC(C)SCC(=O)O 4028613 [0,0,0,0,0,1|1,0,2]=4 37 B4R0.1 CC(=O)CN 4035253 [2,0,0,0,0,0|1,0,1]=4 38 B6R0.1 CCNC(=O)CBr 4023688 [1,1,0,0,0,0|1,0,1]=4 39 B6R0.1 CNCC(=O)NC 4033340 [1,1,0,0,0,0|1,0,1]=4 40 B6R0.4 COCCC(C)=O 4022132 [1,1,0,0,0,0|0,0,2]=4 41 B6R0.7 CC(C)(N)C(N)=O 4029572 [0,1,0,0,1,0|1,0,1]=4 42 B8R0.9 CC(C)CNC(=O)CCl 4025710 [0,1,0,0,0,1|0,0,2]=4 43 B8R0.23 CC(=O)CC(=O)C(C)C 4036300 [0,1,0,0,0,1|0,0,1]=3 44 B8R0.23 CC(=O)CN(C)C(C)C 4028473 [0,1,0,0,0,1|0,0,2]=4 45 B8R0.23 CC(C)NC(=O)C(=O)O 4030323 [0,1,0,0,0,1|1,0,1]=4 46 B8R0.2 CC(C)N(C)C(=O)CCl 4028437 [0,2,0,0,0,0|1,0,1]=4 47 B8R0.5 CC(=O)CN(C)CCO 4028287 [0,2,0,0,0,0|1,0,1]=4 48 B8R0.5 CC(C)NC(=O)CCCl 4032028 [0,2,0,0,0,0|1,0,1]=4 49 B8R0.5 COCC(=O)CC(C)=O 4036230 [0,2,0,0,0,0|1,0,1]=4 50 B8R0.19 CCC(C)NC(=O)CCl 4028165 [0,2,0,0,0,0|1,0,1]=4 51 B8R0.19 CNC(=O)CC(C)NC 4034214 [0,2,0,0,0,0|0,0,2]=4 52 B8R0.19 CNC(=O)CC(C)NC 4088864 [0,2,0,0,0,0|0,0,2]=4 53 B8R0.24 CC(C)(C)NC(=O)CCl 4028666 [0,2,0,0,0,0|1,0,1]=4 54 B8R0.24 CC(C)(C)NC(=O)CN 4028896 [0,2,0,0,0,0|1,0,1]=4 55 B8R0.24 CC(C)(C)NC(=O)CN 4088560 [0,2,0,0,0,0|1,0,1]=4 56 B8R1.3 CC1=NNC(=O)CC1 3003063 [0,0,0,1,0,1|1,0,0]=3 57 B8R1.51 CC1(C)CCC(=O)C1 4042132 [0,0,0,1,0,1|0,0,2]=4 58 B8R1.51 CC1(C)CNC(=O)C1 4026748 [0,0,0,1,0,1|0,0,2]=4 59 B8R1.51 CC1(C)COC(=O)C1 4108200 [0,0,0,1,0,1|0,0,2]=4 60 B8R1.1 CC1=CC(C=O)=NN1 4002200 [0,1,0,1,0,0|2,0,0]=4 61 B8R1.1 CC1=NNC(CN)=C1 4004582 [0,1,0,1,0,0|2,0,0]=4 62 B8R1.1 CC1=NNC(CO)=C1 9071105 [0,1,0,1,0,0|2,0,0]=4 63 B8R1.1 CC1=NOC(C=O)=C1 4034847 [0,1,0,1,0,0|2,0,0]=4 64 B8R1.1 CC1=NOC(CCl)=C1 4003178 [0,1,0,1,0,0|1,0,1]=4 65 B8R1.1 CC1=NOC(CN)=C1 4100870 [0,1,0,1,0,0|1,0,1]=4 66 B8R1.1 CC1=NOC(CO)=C1 4003172 [0,1,0,1,0,0|1,0,1]=4 67 B8R1.1 NCC1CCC(=O)N1 4110532 [0,1,0,1,0,0|1,0,1]=4 68 B8R1.1 O=C1CCC(CBr)O1 4085450 [0,1,0,1,0,0|1,0,1]=4 69 B8R1.1 O=C1CCC(CI)N1 4110716 [0,1,0,1,0,0|1,0,1]=4 70 B8R1.4 CC1CCCC(=O)N1 4027532 [0,1,0,1,0,0|1,0,1]=4 71 B8R1.4 CC1COCC(=O)N1 4028237 [0,1,0,1,0,0|1,0,1]=4 72 B8R1.4 C[C@@H]1CNCC(=O)N1 4054334 [0,1,0,1,0,0|1,0,1]=4 73 B8R1.4 C[C@H]1CNCC(=O)N1 4108180 [0,1,0,1,0,0|1,0,1]=4 74 B8R1.4 O=C1CNCC(=O)N1 4041602 [0,1,0,1,0,0|2,0,0]=4 75 B8R1.4 O=C1COCC(=O)N1 4045755 [0,1,0,1,0,0|2,0,0]=4 76 B8R1.18 CC1=C(C)NC(=O)N1 4085336 [0,1,0,1,0,0|2,0,0]=4 77 B8R1.18 CC1=C(C)OC(=O)N1 4044048 [0,1,0,1,0,0|2,0,0]=4 78 B8R1.40 NCC(=O)NC1CC1 4031002 [0,1,0,1,0,0|1,0,1]=4 79 B8R1.40 O=C(CCl)NC1CC1 4027313 [0,1,0,1,0,0|1,0,1]=4 80 B8R1.42 CC(=O)CC1(C)CC1 4002837 [0,1,0,1,0,0|0,0,2]=4 81 B8R1.50 CC1=NNC(C)=C1C 4033681 [0,1,0,1,0,0|2,0,0]=4 82 B8R1.50 CC1=NNC(C)=C1N 4029772 [0,1,0,1,0,0|2,0,0]=4 83 B8R1.50 CC1=NNC(C)=C1O 4045445 [0,1,0,1,0,0|2,0,0]=4 84 B8R1.50 CC1=NOC(C)=C1Cl 4039971 [0,1,0,1,0,0|1,0,1]=4