0 B6R0.2 CC(=CC(=O)N)N DA-24318 [0,0,0,0,0,0|2,0,1]=3 1 B6R0.2 CC(CN(C)C)N DA-46451 [0,0,0,0,0,0|1,0,1]=2 2 B6R0.2 C\C(=C\C(=O)C)\[O-] DA-34907 [0,0,0,0,0,0|3,0,1]=4 3 B5R0.1 C(C(=O)O)NN DA-26159 [1,0,0,0,0,0|2,0,0]=3 4 B5R0.1 CC(=O)CCN DA-21357 [1,0,0,0,0,0|2,0,1]=4 5 B5R0.1 CC(C)CC#C DA-39164 [1,0,0,0,0,0|2,0,1]=4 6 B5R0.1 CCCC(C)N DA-25725 [1,0,0,0,0,0|2,0,1]=4 7 B5R0.1 CN(C)CC=O DA-27712 [1,0,0,0,0,0|0,0,0]=1 8 B5R0.1 CN(C)CC=O DA-27713 [1,0,0,0,0,0|0,0,0]=1 9 B5R0.1 CN(C)CC=O DA-27714 [1,0,0,0,0,0|0,0,0]=1 10 B5R0.1 C\C(=C/C=O)\Br DA-32109 [1,0,0,0,0,0|2,0,1]=4 11 B7R0.2 CC(=S)CC(=O)CCl DA-29563 [0,1,0,0,0,0|3,0,0]=4 12 B7R0.2 CC(C)CC(=O)C=O DA-39138 [0,1,0,0,0,0|2,0,0]=3 13 B7R0.2 CC(C)CC(=O)CBr DA-29611 [0,1,0,0,0,0|2,0,0]=3 14 B7R0.2 COC(=O)CC(=S)N DA-32774 [0,1,0,0,0,0|2,1,0]=4 15 B7R0.9 CC(C)CS(=O)(=O)N DA-25947 [0,1,0,0,0,0|2,0,0]=3 16 B7R0.16 CC(=C(N(C)C)Cl)C DA-29502 [0,1,0,0,0,0|2,0,1]=4 17 B7R0.16 CC(=O)C(=O)N(C)C DA-43378 [0,1,0,0,0,0|1,0,1]=3 18 B7R1.2 C1C(=O)SC(=O)N1 DA-27172 [0,0,0,1,0,0|3,0,0]=4 19 B7R1.2 CC1=NN=C(C1)N DA-37100 [0,0,0,1,0,0|3,0,0]=4 20 B7R1.2 CC1CC(=O)NN1 DA-37107 [0,0,0,1,0,0|2,0,0]=3 21 B7R1.2 Cc1c[nH]c(=O)s1 DA-37141 [0,0,0,1,0,0|2,0,1]=4 22 B7R1.2 Cn1ccc(c1)N DA-29233 [0,0,0,1,0,0|1,0,2]=4 23 B7R1.12 C=C1CC1C(=O)O DA-25803 [0,0,0,1,0,0|2,0,1]=4 24 B7R1.12 CC1CC1C(=O)N DA-25804 [0,0,0,1,0,0|1,0,0]=2 25 B7R1.16 CC1(CC(C1)N)C DA-24793 [0,0,0,1,0,0|2,0,1]=4 26 B7R1.20 C1CC1NC(=O)Cl DA-41779 [0,0,0,1,0,0|3,0,0]=4 27 B7R1.20 CC(=O)NC1CC1 DA-42871 [0,0,0,1,0,0|3,0,0]=4 28 B5R0.5 CC(C)C(=N)N DA-25790 [0,0,0,0,1,0|2,0,0]=3 29 B7R0.6 CC(C)NCC(=O)N DA-27667 [0,0,0,0,0,1|1,0,0]=2 30 B7R0.6 CC(CCC(=O)O)I DA-41244 [0,0,0,0,0,1|3,0,0]=4 31 B6R0.3 CC(C)C(CN)N DA-23404 [1,1,0,0,0,0|1,0,1]=4 32 B6R0.3 CCC(C(=O)N)Cl DA-26397 [1,1,0,0,0,0|1,0,0]=3 33 B6R0.4 C(C(=S)N)NC=O DA-42295 [1,1,0,0,0,0|0,1,1]=4 34 B6R0.4 CC(=C)CCC=O DA-39109 [1,1,0,0,0,0|1,0,1]=4 35 B6R0.4 CC(=O)OCC=O DA-27942 [1,1,0,0,0,0|2,0,0]=4 36 B6R0.7 CC(C)(C)C(=N)N DA-27472 [0,1,0,0,1,0|2,0,0]=4 37 B8R0.9 CC(C)CCC(=O)CBr DA-29606 [0,1,0,0,0,1|2,0,0]=4 38 B8R0.9 CC(CN)CNC(=O)C DA-45920 [0,1,0,0,0,1|2,0,0]=4 39 B8R0.9 CCC(=O)NCC(C)C DA-42026 [0,1,0,0,0,1|2,0,0]=4 40 B8R0.9 CCC(C)COC(=O)Cl DA-25809 [0,1,0,0,0,1|2,0,0]=4 41 B8R0.23 CC(C)CC(=O)C(=O)C DA-37135 [0,1,0,0,0,1|2,0,0]=4 42 B8R0.29 C[Si](C)(C)CCC(=O)O DA-24836 [0,1,0,0,0,1|2,0,0]=4 43 B8R0.5 CCOC(=O)CN(C)N DA-34609 [0,2,0,0,0,0|2,0,0]=4 44 B8R0.16 CCN(CC)CC(C)N DA-44214 [0,2,0,0,0,0|1,0,1]=4 45 B8R0.16 CN(C)CC(CN)CN DA-27904 [0,2,0,0,0,0|1,0,1]=4 46 B8R0.19 CC(CC(=O)OC)CBr DA-23140 [0,2,0,0,0,0|2,0,0]=4 47 B8R0.19 CNC(=O)CC(=O)OC DA-32818 [0,2,0,0,0,0|2,0,0]=4 48 B8R0.34 CC(C)(CC(=O)O)C=O DA-23594 [0,2,0,0,0,0|2,0,0]=4 49 B8R0.18 CC(C)C(C=C)C(=O)O DA-26051 [0,2,0,0,0,0|2,0,0]=4 50 B6R1.4 CC1CNC1=O DA-23380 [0,0,0,1,1,0|1,0,0]=3 51 B8R1.3 CC1CNC(=O)CO1 DA-36000 [0,0,0,1,0,1|1,0,0]=3 52 B8R1.23 CC(C)C1CC(=O)N1 DA-39277 [0,0,0,1,0,1|1,0,0]=3 53 B8R1.35 C1CC1COC(=O)Cl DA-34925 [0,0,0,1,0,1|2,0,0]=4 54 B8R1.51 CC1(CCC(=O)C1)C DA-24789 [0,0,0,1,0,1|2,0,0]=4 55 B8R1.1 C1C(COC1=O)CO DA-34846 [0,1,0,1,0,0|2,0,0]=4 56 B8R1.4 CN1CCCC(=O)C1 DA-29192 [0,1,0,1,0,0|1,0,0]=3 57 B8R1.4 CN1CCC[C@H](C1)N DA-32015 [0,1,0,1,0,0|1,0,1]=4 58 B8R1.18 CN1CC(CC1=O)N DA-21489 [0,1,0,1,0,0|2,0,0]=4 59 B8R1.34 CC(=O)CC1COC1 DA-31152 [0,1,0,1,0,0|2,0,0]=4 60 B8R1.62 CC1(CC(=O)N1)C=C DA-39470 [0,1,0,1,0,0|1,0,1]=4 61 B8R0.28 CC(C)COCC(=O)O DA-28580 [0,0,0,0,0,2|2,0,0]=4 62 B8R0.28 CN(C)CC#CC(=O)O DA-22226 [0,0,0,0,0,2|1,0,0]=3 63 B8R0.28 CN(C)CC=CC(=O)Cl DA-22227 [0,0,0,0,0,2|1,0,0]=3 64 B8R0.28 CN(C)CC=CC(=O)O DA-39994 [0,0,0,0,0,2|1,0,0]=3