0 B4R0.1 C#CC(=O)N MB03070 [0,0,0,0,0,0|2,0,1]=3 1 B4R0.1 C(C(=N)N)Cl AB02229 [0,0,0,0,0,0|3,0,1]=4 2 B4R0.1 C(C(=N)N)O AB12726 [0,0,0,0,0,0|2,0,2]=4 3 B4R0.1 C(C(=N)N)O AB21804 [0,0,0,0,0,0|2,0,2]=4 4 B4R0.1 C=C(CBr)I MB13667 [0,0,0,0,0,0|2,0,2]=4 5 B4R0.1 C=C[N+](=O)[O-] CB10433 [0,0,0,0,0,0|3,0,0]=3 6 B4R0.1 CC(=N)NN AB09895 [0,0,0,0,0,0|3,0,0]=3 7 B4R0.1 CC(=O)C=O AB00820 [0,0,0,0,0,0|0,0,0]=0 8 B4R0.1 CC(=O)NN AB00888 [0,0,0,0,0,0|2,0,0]=2 9 B4R0.1 CC(=O)NO AB01014 [0,0,0,0,0,0|1,0,1]=2 10 B4R0.1 CCC(=N)N AB07703 [0,0,0,0,0,0|3,0,1]=4 11 B4R0.1 C\C(=N\O)\N AB06530 [0,0,0,0,0,0|2,0,1]=3 12 B4R0.1 C\C=C(/C)\Br AB00105 [0,0,0,0,0,0|2,0,0]=2 13 B3R0.1 C(=O)NN AB00881 [1,0,0,0,0,0|2,0,0]=3 14 B3R0.1 C\C=C/I AB73504 [1,0,0,0,0,0|1,0,0]=2 15 B3R0.1 C\C=C\Br AB00109 [1,0,0,0,0,0|1,0,0]=2 16 B3R0.2 C[S+](C)C AB01061 [1,0,0,0,0,0|2,0,1]=4 17 B5R0.1 C#CCC(=O)O AB11673 [0,1,0,0,0,0|2,0,1]=4 18 B5R0.1 CC(=O)\C=N\O AB00206 [0,1,0,0,0,0|0,0,1]=2 19 B5R0.1 CC(C)N=C=O AB00193 [0,1,0,0,0,0|1,0,2]=4 20 B5R0.3 C(=O)C(C=O)Br PB21703 [0,1,0,0,0,0|1,0,1]=3 21 B5R0.3 C(=O)N(C=O)[Na] AB03947 [0,1,0,0,0,0|2,0,0]=3 22 B5R0.3 C=C(CO)CO PB20901 [0,1,0,0,0,0|1,0,2]=4 23 B5R0.3 CCC(=N)NN AB56212 [0,1,0,0,0,0|3,0,0]=4 24 B5R0.3 CCC(=O)C=O AB21438 [0,1,0,0,0,0|0,0,0]=1 25 B5R0.3 CCC(=O)NN PB26058 [0,1,0,0,0,0|2,0,0]=3 26 B5R0.3 COC(=O)CN AB01112 [0,1,0,0,0,0|1,0,1]=3 27 B5R0.3 CSC(=N)NN AB01522 [0,1,0,0,0,0|3,0,0]=4 28 B5R0.3 CS\C(=N/N)\N AB06574 [0,1,0,0,0,0|3,0,0]=4 29 B5R0.4 CSS(=O)(=O)C CB10056 [0,1,0,0,0,0|3,0,0]=4 30 B5R0.5 CC(C(=O)N)N AB43014 [0,1,0,0,0,0|1,0,1]=3 31 B5R0.5 CC(C)C(=N)N AB07702 [0,1,0,0,0,0|2,0,1]=4 32 B5R0.5 CC(C)C(=S)N AB32169 [0,1,0,0,0,0|1,1,1]=4 33 B5R0.5 C[C@@H](C(=O)O)Br AB03774 [0,1,0,0,0,0|1,0,1]=3 34 B5R0.5 C[C@@H](C(=O)O)N AB02601 [0,1,0,0,0,0|1,0,1]=3 35 B5R1.2 C1C(=O)CN1 PB32275 [0,0,0,1,0,0|1,0,1]=3 36 B5R1.2 C1C(=O)CO1 PB20352 [0,0,0,1,0,0|0,0,2]=3 37 B5R1.2 C1C(=O)CS1 PB29880 [0,0,0,1,0,0|0,1,1]=3 38 B2R0.1 C(=S)N AB42997 [2,0,0,0,0,0|1,1,0]=4 39 B4R0.2 C(=C\O)/C#N AB85343 [1,1,0,0,0,0|0,0,2]=4 40 B4R0.2 C=CCCBr AB00123 [1,1,0,0,0,0|1,0,1]=4 41 B4R0.2 C=CCCN AB14698 [1,1,0,0,0,0|1,0,1]=4 42 B4R0.2 C=CCCO AB00288 [1,1,0,0,0,0|1,0,1]=4 43 B6R0.1 CCNC(=O)C=C CB10170 [0,2,0,0,0,0|1,0,0]=3 44 B6R0.1 CCOC(=O)C#N PB24520 [0,2,0,0,0,0|1,0,1]=4 45 B6R0.1 CNC(=O)CC#N AB03253 [0,2,0,0,0,0|1,0,1]=4 46 B6R0.1 COC(=O)CC#C AB11822 [0,2,0,0,0,0|1,0,1]=4 47 B6R0.1 COC(=O)\C=C\N AB31601 [0,2,0,0,0,0|1,0,0]=3 48 B6R0.1 C\C(=C\OC)\C#N AB65880 [0,2,0,0,0,0|1,0,1]=4 49 B6R0.2 B(C=C(C)C)(O)O AB08065 [0,2,0,0,0,0|1,0,1]=4 50 B6R0.2 CC(=O)NC(=N)N AB02893 [0,2,0,0,0,0|1,0,0]=3 51 B6R0.3 B(\C(=C/C)\C)(O)O AB25207 [0,2,0,0,0,0|1,0,1]=4 52 B6R0.3 C([C@H](C(=O)O)N)S AB02703 [0,2,0,0,0,0|1,0,1]=4 53 B6R0.3 CC(C)C(=O)NN PB30560 [0,2,0,0,0,0|1,0,1]=4 54 B6R0.3 CC(CN)C(=O)O AB00933 [0,2,0,0,0,0|1,0,1]=4 55 B6R0.3 CCC(C(=O)O)N AB00928 [0,2,0,0,0,0|1,0,1]=4 56 B6R0.3 CCN(C)C(=O)Cl MB05193 [0,2,0,0,0,0|2,0,0]=4 57 B6R0.3 CN(C(=O)N)N=O CB10099 [0,2,0,0,0,0|1,0,0]=3 58 B6R0.3 COC(=O)C(=N)N AB50977 [0,2,0,0,0,0|1,0,0]=3 59 B6R0.3 C[C@@H](C(=O)OC)N AB02553 [0,2,0,0,0,0|1,0,1]=4 60 B6R0.3 C[C@@H](CN)C(=O)O AB35706 [0,2,0,0,0,0|1,0,1]=4 61 B6R0.3 C[C@H](CN)C(=O)O AB08204 [0,2,0,0,0,0|1,0,1]=4 62 B6R0.4 CC(=O)\C=C\OC AB00959 [0,2,0,0,0,0|0,0,1]=3 63 B6R0.7 CC(C)(C(=O)N)Br MB05789 [0,2,0,0,0,0|1,0,1]=4 64 B6R0.7 CC(C)(C(=O)O)N AB00918 [0,2,0,0,0,0|1,0,1]=4 65 B6R1.2 C1=NC(=O)N=C1 AB01798 [0,1,0,1,0,0|2,0,0]=4 66 B6R1.2 C1C=C(CO1)I AB84905 [0,1,0,1,0,0|1,0,1]=4 67 B6R1.2 C1CNCC1=O PB21807 [0,1,0,1,0,0|1,0,1]=4 68 B6R1.2 C1COCC1=O PB17440 [0,1,0,1,0,0|0,0,2]=4 69 B6R1.2 C1CONC1=O MB10654 [0,1,0,1,0,0|1,0,1]=4 70 B6R1.2 CC1=CCCO1 AB00300 [0,1,0,1,0,0|1,0,1]=4 71 B6R1.2 CC1=CN=CC1 PB12076 [0,1,0,1,0,0|2,0,0]=4 72 B6R1.2 CC1=CN=NC1 AB00390 [0,1,0,1,0,0|2,0,0]=4 73 B6R1.2 CC1=NC=CC1 AB12705 [0,1,0,1,0,0|2,0,0]=4 74 B6R1.2 Cc1ccon1 AB01288 [0,1,0,1,0,0|1,0,1]=4 75 B6R1.2 Cc1cocn1 AB63545 [0,1,0,1,0,0|1,0,1]=4 76 B6R1.3 C1CC1CC=O AB51242 [0,1,0,1,0,0|1,0,1]=4 77 B6R1.5 C1C(CC1=O)Br PB30412 [0,1,0,1,0,0|1,0,1]=4 78 B6R1.5 C1C(CC1=O)F PB36975 [0,1,0,1,0,0|1,0,1]=4 79 B6R1.5 C1C(CC1=O)N PB20766 [0,1,0,1,0,0|1,0,1]=4 80 B6R1.6 C1C(CO1)C=O AB76630 [0,1,0,1,0,0|0,0,2]=4