0 B4R0.2 C#CCCI 6186AJ [0,0,0,0,0,0|3,0,1]=4 1 B4R0.2 C=C=CCO 0432AQ [0,0,0,0,0,0|3,0,0]=3 2 B4R0.2 CCCCF 8004AD [0,0,0,0,0,0|2,0,1]=3 3 B4R0.2 CCCCN 7306AL [0,0,0,0,0,0|2,0,1]=3 4 B4R0.2 CCCNN 4415AE [0,0,0,0,0,0|3,0,0]=3 5 B4R0.2 CCCOC 4896AL [0,0,0,0,0,0|3,0,0]=3 6 B4R0.2 CCCSC U677 [0,0,0,0,0,0|3,0,0]=3 7 B4R0.2 CCNCC 7650AL [0,0,0,0,0,0|1,0,2]=3 8 B4R0.2 CNCC#N 8258AL [0,0,0,0,0,0|3,0,1]=4 9 B4R0.2 CSCCCl 7809AB [0,0,0,0,0,0|3,0,1]=4 10 B4R0.2 C\C=C/CC 7428AL [0,0,0,0,0,0|2,0,1]=3 11 B4R0.2 C\C=C\SC AMTGC066 [0,0,0,0,0,0|3,0,1]=4 12 B4R0.2 Cl\C=C/CCl 7411AL [0,0,0,0,0,0|3,0,1]=4 13 B4R0.2 N#CCCS 0102AP [0,0,0,0,0,0|3,0,1]=4 14 B4R0.2 NCCON 7871AA [0,0,0,0,0,0|4,0,0]=4 15 B4R0.2 NCCON W5869 [0,0,0,0,0,0|4,0,0]=4 16 B4R0.2 S=[AlH3]S[AlH3]=S 5463AF [0,0,0,0,0,0|4,0,0]=4 17 B3R0.1 CCCF 3973AE [1,0,0,0,0,0|1,0,1]=3 18 B3R0.1 CCCN 8883AL [1,0,0,0,0,0|1,0,1]=3 19 B3R0.1 C\C=C\Br 4765AL [1,0,0,0,0,0|1,0,2]=4 20 B3R0.1 NCCN 4103AL [1,0,0,0,0,0|2,0,1]=4 21 B3R0.1 NCCN 6791AA [1,0,0,0,0,0|2,0,1]=4 22 B3R0.1 NCCN 6876AF [1,0,0,0,0,0|2,0,1]=4 23 B3R0.1 NCCN 7518AA [1,0,0,0,0,0|2,0,1]=4 24 B3R0.1 NCCN 9393AJ [1,0,0,0,0,0|2,0,1]=4 25 B3R0.1 NCCN E395 [1,0,0,0,0,0|2,0,1]=4 26 B5R0.1 C#CCC(C)O 6664AL [0,1,0,0,0,0|2,0,1]=4 27 B5R0.1 C=COC(C)C 3476AL [0,1,0,0,0,0|2,0,1]=4 28 B5R0.1 CC#CC(C)C 6601AL [0,1,0,0,0,0|2,0,1]=4 29 B5R0.1 CC(Br)CC#N 6005AL [0,1,0,0,0,0|2,0,1]=4 30 B5R0.1 CC(C)CCCl 7326AF [0,1,0,0,0,0|2,0,1]=4 31 B5R0.1 CC(C)CON 7310AJ [0,1,0,0,0,0|3,0,0]=4 32 B5R0.1 CC(C)C[Mg]Br 8722AJ [0,1,0,0,0,0|3,0,0]=4 33 B5R0.1 CC(C)N=[N+]=[N-] 8218AE [0,1,0,0,0,0|2,0,0]=3 34 B5R0.1 CC(O)CON 3604AB [0,1,0,0,0,0|3,0,0]=4 35 B5R0.1 CCC=C(C)C 7499AF [0,1,0,0,0,0|2,0,1]=4 36 B5R0.1 CCOC(C)C 7879AL [0,1,0,0,0,0|2,0,1]=4 37 B5R0.1 CCSC(C)C 7880AL [0,1,0,0,0,0|2,0,1]=4 38 B5R0.1 CNCC(C)C 8603AL [0,1,0,0,0,0|3,0,0]=4 39 B5R0.1 CNCC(C)O 5343AD [0,1,0,0,0,0|3,0,0]=4 40 B5R0.1 COCC(C)N 0442AC [0,1,0,0,0,0|3,0,0]=4 41 B5R0.1 COC[C@H](C)O W4988 [0,1,0,0,0,0|3,0,0]=4 42 B5R0.1 C[C@@H](O)CC#N 1173AL [0,1,0,0,0,0|2,0,1]=4 43 B5R0.1 C[C@H](N)CCO 3502AC [0,1,0,0,0,0|1,1,1]=4 44 B5R0.1 C\C=C\C(C)C 7501AF [0,1,0,0,0,0|2,0,1]=4 45 B5R0.2 C#CCCCBr 9466AL [0,1,0,0,0,0|2,0,1]=4 46 B5R0.2 C=CCCCN 7616AH [0,1,0,0,0,0|2,0,1]=4 47 B5R0.2 C=CCN=C=O 4527AD [0,1,0,0,0,0|0,1,1]=3 48 B5R0.2 C=CCOCC 5601AE [0,1,0,0,0,0|2,0,1]=4 49 B5R0.2 CC#CCCO 6150AL [0,1,0,0,0,0|2,0,1]=4 50 B5R0.2 CCCCOC 7303AL [0,1,0,0,0,0|1,1,1]=4 51 B5R0.2 CCCNCC 8554AL [0,1,0,0,0,0|1,0,2]=4 52 B5R0.2 CCCOCC 7892AL [0,1,0,0,0,0|2,0,1]=4 53 B5R0.2 CCCOCCl 4494AB [0,1,0,0,0,0|2,0,1]=4 54 B5R0.2 CCCSCC R576 [0,1,0,0,0,0|2,0,1]=4 55 B5R0.2 CCOCCCl 7903AJ [0,1,0,0,0,0|2,0,1]=4 56 B5R0.2 CCOCCN 3903AD [0,1,0,0,0,0|2,0,1]=4 57 B5R0.2 CC[Se][Se]CC 7651AL [0,1,0,0,0,0|2,0,1]=4 58 B5R0.2 CC\C=C\C#N 5776AL [0,1,0,0,0,0|2,0,1]=4 59 B5R0.2 CNCCSC 7146AJ [0,1,0,0,0,0|3,0,0]=4 60 B5R0.2 COCCCI 9890AH [0,1,0,0,0,0|2,0,1]=4 61 B5R0.2 COCCON Y9404 [0,1,0,0,0,0|3,0,0]=4 62 B5R0.2 COCN=C=S 6701AD [0,1,0,0,0,0|0,0,0]=1 63 B5R0.2 ClCCOCCl 7247AA [0,1,0,0,0,0|2,0,1]=4 64 B5R0.2 [C-]#[N+]CCOC V5938 [0,1,0,0,0,0|3,0,0]=4 65 B5R0.2 [N-]=[N+]=NCCN 9854AL [0,1,0,0,0,0|2,0,0]=3 66 B5R0.3 C#CC(O)CC X7089 [0,1,0,0,0,0|2,0,1]=4 67 B5R0.3 CCC(=O)CN X8894 [0,1,0,0,0,0|2,0,1]=4 68 B5R0.3 CCC(=O)CO X5132 [0,1,0,0,0,0|1,1,1]=4 69 B5R0.3 CCC(=S)OC R571 [0,1,0,0,0,0|3,0,0]=4 70 B5R0.3 CCC(C)C#N 9871AA [0,1,0,0,0,0|2,0,1]=4 71 B5R0.3 CCC(C)CCl U282 [0,1,0,0,0,0|2,0,1]=4 72 B5R0.3 CCC(C)CS U578 [0,1,0,0,0,0|1,0,2]=4 73 B5R0.3 CCC(C)NN 9798AD [0,1,0,0,0,0|3,0,0]=4 74 B5R0.3 CCC(O)C#N 7246AF [0,1,0,0,0,0|2,0,1]=4 75 B5R0.3 CCC(O)CBr 4766AL [0,1,0,0,0,0|2,0,1]=4 76 B5R0.3 CCC(S)CS 4441AL [0,1,0,0,0,0|1,0,2]=4 77 B5R0.3 C\C=C(/C)CC 0241AQ [0,1,0,0,0,0|2,0,1]=4 78 B5R0.3 C\C=C(/C)CC 9220AL [0,1,0,0,0,0|2,0,1]=4 79 B5R0.3 C\C=C(\C)CC 7440AL [0,1,0,0,0,0|2,0,1]=4 80 B5R1.1 C1=NNCC1 5793AL [0,0,0,1,0,0|2,0,1]=4 81 B5R1.1 C1CNNC1 Z5309 [0,0,0,1,0,0|2,0,1]=4 82 B5R1.1 C1CSCS1 0673AQ [0,0,0,1,0,0|1,0,2]=4 83 B5R1.3 CNC1CC1 X4771 [0,0,0,1,0,0|3,0,0]=4 84 B5R1.3 [C-]#[N+]C1CC1 6101AE [0,0,0,1,0,0|3,0,0]=4 85 B2R0.1 CNC 7704AL [2,0,0,0,0,0|0,0,2]=4 86 B2R0.1 N=CN 7945AL [2,0,0,0,0,0|1,0,1]=4 87 B4R0.1 C#CC(C)N 3873AJ [1,1,0,0,0,0|1,0,1]=4 88 B4R0.1 C#C[C@@H](C)O 4141AL [1,1,0,0,0,0|1,0,1]=4 89 B4R0.1 C#C[C@H](C)N 9107AH [1,1,0,0,0,0|1,0,1]=4 90 B4R0.1 C#C[C@H](C)O 4183AL [1,1,0,0,0,0|1,0,1]=4 91 B4R0.1 C=C=C(C)C 6086AL [1,1,0,0,0,0|1,0,1]=4 92 B4R0.1 C=NN(C)C 7943AL [1,1,0,0,0,0|1,0,1]=4 93 B4R0.1 CC(O)CF 7060AF [1,1,0,0,0,0|1,0,1]=4 94 B4R0.1 CCC(=O)Br C859 [1,1,0,0,0,0|0,1,1]=4 95 B4R0.1 CC[SiH](Cl)Cl 7902AL [1,1,0,0,0,0|1,1,0]=4 96 B4R0.1 CSC(C)C 8107AL [1,1,0,0,0,0|1,0,1]=4 97 B4R0.1 C[C@@H](O)CN V4887 [1,1,0,0,0,0|1,0,1]=4 98 B4R0.1 C[C@H](O)CCl E885 [1,1,0,0,0,0|1,0,1]=4 99 B4R0.1 C\C(N)=N/O 5291AE [1,1,0,0,0,0|0,1,1]=4 100 B6R0.1 CCNC(=S)NN 3859AD [0,2,0,0,0,0|0,0,2]=4 101 B6R0.4 C=C(Cl)CN=C=S S894 [0,2,0,0,0,0|0,0,1]=3 102 B6R0.4 CCCNC(N)=S 3447AF [0,2,0,0,0,0|0,0,2]=4 103 B6R0.6 C=CCCN=C=S 8120AL [0,2,0,0,0,0|0,0,0]=2 104 B6R0.6 COCCN=[N+]=[N-] AMTGC680 [0,2,0,0,0,0|2,0,0]=4 105 B6R0.6 S=C=NCCCBr 9053AD [0,2,0,0,0,0|0,0,0]=2 106 B6R0.6 [N-]=[N+]=NCCCN 5990AL [0,2,0,0,0,0|2,0,0]=4 107 B4R1.1 C1CNC1 F654 [1,0,0,1,0,0|0,0,2]=4 108 B4R1.1 C1CSC1 7055AF [1,0,0,1,0,0|0,0,2]=4 109 B4R1.2 C[C@H]1CN1 1289AL [1,0,0,1,0,0|0,0,2]=4 110 B6R1.2 NC1=NCCC1 3788AC [0,1,0,1,0,0|1,0,1]=4 111 B6R1.2 S=C1CCCN1 7821AD [0,1,0,1,0,0|0,0,2]=4 112 B6R1.2 S=C1NCCO1 1519AL [0,1,0,1,0,0|0,0,2]=4 113 B6R1.3 O=C=NC1CC1 X4805 [0,1,0,1,0,0|0,1,0]=3