0 B6R0.6 C(COCCI)O DA-28616 [0,0,0,0,0,0|2,0,1]=3 1 B6R0.6 CCCOCC=O DA-25689 [0,0,0,0,0,0|1,0,3]=4 2 B6R0.6 CCC[Sn+2]CCC DA-34908 [0,0,0,0,0,0|2,0,1]=3 3 B6R0.6 CCNCCOC DA-42706 [0,0,0,0,0,0|3,0,1]=4 4 B6R0.6 CCOCCNC DA-26269 [0,0,0,0,0,0|3,0,1]=4 5 B5R0.2 C(CCBr)CN DA-21372 [1,0,0,0,0,0|2,0,1]=4 6 B5R0.2 C=CC=CCBr DA-37930 [1,0,0,0,0,0|1,0,2]=4 7 B5R0.2 CNCCC=C DA-42589 [1,0,0,0,0,0|1,0,2]=4 8 B5R0.2 CNCCCBr DA-25561 [1,0,0,0,0,0|2,0,1]=4 9 B5R0.2 CNCCCBr DA-42177 [1,0,0,0,0,0|2,0,1]=4 10 B5R0.2 CNCCSC DA-39999 [1,0,0,0,0,0|2,0,1]=4 11 B7R0.1 C#CCCNCCO DA-28477 [0,1,0,0,0,0|1,0,2]=4 12 B7R0.1 CCCOCCCN DA-43561 [0,1,0,0,0,0|1,0,2]=4 13 B7R0.1 CCNCCOCC DA-26270 [0,1,0,0,0,0|2,0,1]=4 14 B7R0.1 CCOCC#CCO DA-39467 [0,1,0,0,0,0|0,0,2]=3 15 B7R0.3 C(CC(=O)CBr)CCl DA-29610 [0,1,0,0,0,0|2,0,1]=4 16 B7R0.3 C(CNC(=O)CBr)N DA-31826 [0,1,0,0,0,0|3,0,0]=4 17 B7R0.3 CCCOC(=O)CBr DA-42657 [0,1,0,0,0,0|2,0,0]=3 18 B7R0.4 CC(C)CCCCCl DA-29531 [0,1,0,0,0,0|1,0,2]=4 19 B7R0.4 CCCNCC(C)C DA-42549 [0,1,0,0,0,0|2,0,1]=4 20 B7R0.7 CN(CCN)CCO DA-27048 [0,1,0,0,0,0|2,0,1]=4 21 B7R1.1 C1C=C(CS1)C=O DA-27203 [0,0,0,1,0,0|1,0,2]=4 22 B7R1.1 C1CC=C(C1)CBr DA-30681 [0,0,0,1,0,0|1,0,0]=2 23 B7R1.1 C1COC(O1)CO DA-30497 [0,0,0,1,0,0|2,0,1]=4 24 B7R1.1 COC1CCC=N1 DA-24737 [0,0,0,1,0,0|3,0,0]=4 25 B7R1.1 CSC1=NCCC1 DA-24719 [0,0,0,1,0,0|3,0,0]=4 26 B7R1.1 c1cnsc1CO DA-33462 [0,0,0,1,0,0|2,0,1]=4 27 B7R1.3 C1C=CC(=O)CO1 DA-39998 [0,0,0,1,0,0|1,0,2]=4 28 B7R1.3 C1C=CC(CO1)O DA-42425 [0,0,0,1,0,0|1,0,0]=2 29 B7R1.3 C1CC(=COC1)Br DA-37788 [0,0,0,1,0,0|2,0,1]=4 30 B7R1.3 C1CC=CC(C1)N DA-26341 [0,0,0,1,0,0|1,0,0]=2 31 B7R1.3 CC1CCOCC1 DA-42393 [0,0,0,1,0,0|2,0,1]=4 32 B7R1.4 C1[C@H]([C@H](CN1)O)O DA-34970 [0,0,0,1,0,0|2,0,1]=4 33 B7R1.4 CC1CNCC1N DA-39111 [0,0,0,1,0,0|2,0,1]=4 34 B7R1.6 C1C(=CC#N)CN1 DA-27903 [0,0,0,1,0,0|2,0,1]=4 35 B7R1.7 C1CC1C#CCBr DA-32088 [0,0,0,1,0,0|1,0,2]=4 36 B7R1.7 C1CC1C#CCO DA-48339 [0,0,0,1,0,0|0,0,2]=3 37 B7R1.7 C1CC1CCCO DA-34927 [0,0,0,1,0,0|0,0,2]=3 38 B7R1.7 CCNCC1CC1 DA-42986 [0,0,0,1,0,0|2,0,1]=4 39 B7R1.8 CC1COC1CI DA-27675 [0,0,0,1,0,0|2,0,1]=4 40 B4R0.2 C(CF)CI DA-31704 [2,0,0,0,0,0|2,0,0]=4 41 B4R0.2 CSCCI DA-47993 [2,0,0,0,0,0|2,0,0]=4 42 B6R0.1 CCC(C)CCCl DA-29559 [1,1,0,0,0,0|1,0,1]=4 43 B6R0.1 CCNC(=O)OC DA-41968 [1,1,0,0,0,0|2,0,0]=4 44 B6R0.1 CCNC(C)CO DA-27702 [1,1,0,0,0,0|1,0,1]=4 45 B6R0.1 COCC(=N)OC DA-32949 [1,1,0,0,0,0|2,0,0]=4 46 B6R0.4 CC(C)CCCCl DA-29542 [1,1,0,0,0,0|1,0,1]=4 47 B8R0.1 CCOC(=O)C#CCO DA-33872 [0,2,0,0,0,0|1,0,1]=4 48 B8R0.6 CCCCCC(=O)CBr DA-29678 [0,2,0,0,0,0|1,0,1]=4 49 B8R0.7 CC(C)CCCCCO DA-36043 [0,2,0,0,0,0|0,0,2]=4 50 B8R0.3 CCCC(=O)C(=O)CC DA-24673 [0,2,0,0,0,0|1,0,0]=3 51 B8R0.9 CC(C)CCC(=O)CBr DA-29606 [0,2,0,0,0,0|1,0,1]=4 52 B8R0.9 CCC(=O)NCC(C)C DA-42026 [0,2,0,0,0,0|2,0,0]=4 53 B8R0.28 CN(C)CC=CC(=O)O DA-39994 [0,2,0,0,0,0|1,0,1]=4 54 B6R1.1 C1COCCN1 DA-42330 [1,0,0,1,0,0|1,0,1]=4 55 B6R1.2 CC1=NNCC1 DA-22085 [1,0,0,1,0,0|2,0,0]=4 56 B6R1.3 C1CC1CCI DA-32105 [1,0,0,1,0,0|1,0,1]=4 57 B6R1.4 CC1CNC1=O DA-23380 [1,0,0,1,0,0|1,0,1]=4 58 B6R1.6 C1CC(C1)CCl DA-31839 [1,0,0,1,0,0|1,0,1]=4 59 B6R1.6 CNC1CCC1 DA-42717 [1,0,0,1,0,0|1,0,1]=4 60 B8R1.2 C1CC=C(OC1)CO DA-24742 [0,1,0,1,0,0|0,0,0]=2 61 B8R1.2 C1CSCC(=C1)C=O DA-38256 [0,1,0,1,0,0|0,0,2]=4 62 B8R1.5 C1COCC(C1=O)O DA-41566 [0,1,0,1,0,0|1,0,1]=4 63 B8R1.5 CC1=CCCCC1Br DA-42500 [0,1,0,1,0,0|1,0,0]=3 64 B8R1.8 CCCn1cccn1 DA-29084 [0,1,0,1,0,0|1,0,1]=4 65 B8R1.11 Cc1c(ncs1)CO DA-37097 [0,1,0,1,0,0|1,0,1]=4 66 B8R1.13 CCCC1CCC1=O DA-25683 [0,1,0,1,0,0|1,0,1]=4 67 B8R1.22 C1CNCC(=O)NC1 DA-30234 [0,1,0,1,0,0|2,0,0]=4 68 B8R1.22 C1COCCNC1=O DA-48241 [0,1,0,1,0,0|1,0,1]=4 69 B8R1.22 CC1CCNCCO1 DA-35898 [0,1,0,1,0,0|0,0,2]=4 70 B8R1.36 C1CC1CNCCO DA-41973 [0,1,0,1,0,0|0,0,2]=4 71 B8R1.1 Cc1cc(cs1)CO DA-37106 [0,1,0,1,0,0|1,0,1]=4 72 B8R1.3 CC1=CCC(CC1)N DA-42007 [0,1,0,1,0,0|2,0,0]=4 73 B8R1.3 CC1CNC(=O)CO1 DA-36000 [0,1,0,1,0,0|1,0,0]=3 74 B8R1.52 CC1(CCCO1)CO DA-41290 [0,1,0,1,0,0|1,0,1]=4 75 B8R1.4 C1C(COCC1O)N DA-45315 [0,1,0,1,0,0|1,0,1]=4 76 B8R1.4 C1CC(CC(C1)O)N DA-24178 [0,1,0,1,0,0|0,0,2]=4 77 B8R1.4 CC1=CC(CCC1)Cl DA-23862 [0,1,0,1,0,0|1,0,0]=3 78 B8R1.4 CC1CCCC(=O)O1 DA-41276 [0,1,0,1,0,0|2,0,0]=4 79 B8R1.7 C1C=C(CO1)C(=O)O DA-27535 [0,1,0,1,0,0|1,0,1]=4 80 B8R1.72 CC1(CC=CCO1)C DA-41547 [0,1,0,1,0,0|0,0,0]=2 81 B8R1.72 CC1(CCCOC1)O DA-42642 [0,1,0,1,0,0|1,0,1]=4 82 B8R1.18 CC1C(=CC(=O)O1)O DA-39344 [0,1,0,1,0,0|1,0,1]=4 83 B8R2.18 C1C2C1CC(C2)O DA-35031 [0,0,0,2,0,0|0,0,2]=4