0 B5R1.1 C1CCNC1 VES [0,0,0,0,0,0|0,0,0]=0 1 B5R1.1 C1CCOC1 FU1 [0,0,0,0,0,0|1,0,0]=1 2 B5R1.1 c1[nH]cnn1 TRI [0,0,0,0,0,0|2,0,2]=4 3 B5R1.1 c1c[nH+]c[nH]1 IMD [0,0,0,0,0,0|1,0,3]=4 4 B5R1.1 c1c[nH]nc1 PZO [0,0,0,0,0,0|1,0,3]=4 5 B6R1.2 B1(OCCO1)O SBE [0,1,0,0,0,0|3,0,0]=4 6 B6R1.2 C1CC(=O)NC1 BAQ [0,1,0,0,0,0|0,0,1]=2 7 B6R1.2 C1CC(=O)OC1 GBL [0,1,0,0,0,0|1,0,1]=3 8 B6R1.2 C1CCC(=O)C1 MFW [0,1,0,0,0,0|1,0,0]=2 9 B6R1.2 C1CCC(C1)N 1CB [0,1,0,0,0,0|1,0,0]=2 10 B6R1.2 C1CCC(C1)O YEG [0,1,0,0,0,0|1,0,0]=2 11 B6R1.2 C1CNC[C@@H]1N 04S [0,1,0,0,0,0|0,0,0]=1 12 B6R1.2 C1CNC[C@H]1O 6SP [0,1,0,0,0,0|0,0,0]=1 13 B6R1.2 C1CSC(=N1)N ATQ [0,1,0,0,0,0|1,0,2]=4 14 B4R0.2 C(CCl)CCl 0CL [0,0,1,0,0,0|2,0,0]=3 15 B4R0.2 C(CN)CBr 4LJ [0,0,1,0,0,0|1,0,0]=2 16 B4R0.2 C(CN)CN 13D [0,0,1,0,0,0|1,0,0]=2 17 B4R0.2 C(CN)CO 0D8 [0,0,1,0,0,0|1,0,0]=2 18 B4R0.2 C(CO)CCl 3CL [0,0,1,0,0,0|2,0,0]=3 19 B4R0.2 C(CO)CO HPG [0,0,1,0,0,0|2,0,0]=3 20 B4R0.2 C(CO)CO PDO [0,0,1,0,0,0|2,0,0]=3 21 B4R0.2 C(CS)C=O MPR [0,0,1,0,0,0|2,0,1]=4 22 B4R0.2 C(CS)CS PDT [0,0,1,0,0,0|2,0,0]=3 23 B4R0.2 C(O)OCO 21H [0,0,1,0,0,0|3,0,0]=4 24 B4R0.2 CC/C=N\O PXO [0,0,1,0,0,0|1,0,2]=4 25 B4R0.2 CCCCBr BBU [0,0,1,0,0,0|1,0,0]=2 26 B4R0.2 CCCCC LNK [0,0,1,0,0,0|1,0,0]=2 27 B4R0.2 CCCCN LYT [0,0,1,0,0,0|0,0,0]=1 28 B4R0.2 CCCCO 1BO [0,0,1,0,0,0|1,0,0]=2 29 B4R0.2 CCC[N+]#[C-] NPN [0,0,1,0,0,0|0,0,2]=3 30 B4R0.2 CCOC=O ETO [0,0,1,0,0,0|2,0,1]=4 31 B4R0.2 CCOCC ETZ [0,0,1,0,0,0|1,0,0]=2 32 B4R0.2 CCOC[O-] EOM [0,0,1,0,0,0|2,0,0]=3 33 B4R0.2 COCCO MXE [0,0,1,0,0,0|2,0,0]=3 34 B4R0.2 COCC[O-] MOE [0,0,1,0,0,0|2,0,0]=3 35 B6R1.1 C1CCCCC1 CHX [0,0,0,0,0,1|1,0,0]=2 36 B6R1.1 C1CCNCC1 PIP [0,0,0,0,0,1|0,0,0]=1 37 B6R1.1 C1CCOCC1 PYE [0,0,0,0,0,1|1,0,0]=2 38 B6R1.1 C1CNCCN1 PZE [0,0,0,0,0,1|0,0,0]=1 39 B6R1.1 C1COCCN1 6LR [0,0,0,0,0,1|0,0,0]=1 40 B6R1.1 C1COCCO1 DIO [0,0,0,0,0,1|1,0,0]=2 41 B6R1.1 C1COCCO1 DOX [0,0,0,0,0,1|1,0,0]=2 42 B3R0.1 C#CCN RRA [1,0,1,0,0,0|0,0,2]=4 43 B3R0.1 C(C=O)N GLZ [1,0,1,0,0,0|1,0,1]=4 44 B3R0.1 C(CBr)O BRJ [1,0,1,0,0,0|2,0,0]=4 45 B3R0.1 C(CCl)Cl DCE [1,0,1,0,0,0|2,0,0]=4 46 B3R0.1 C(CN)N EDN [1,0,1,0,0,0|1,0,0]=3 47 B3R0.1 C(CO)N ETA [1,0,1,0,0,0|1,0,0]=3 48 B3R0.1 C(CO)O EDO [1,0,1,0,0,0|2,0,0]=4 49 B3R0.1 C(CO)O EGL [1,0,1,0,0,0|2,0,0]=4 50 B3R0.1 C(CS)N DHL [1,0,1,0,0,0|1,0,0]=3 51 B3R0.1 C(CS)N SEA [1,0,1,0,0,0|1,0,0]=3 52 B3R0.1 C(CS)O BME [1,0,1,0,0,0|2,0,0]=4 53 B3R0.1 C(CS)O SEO [1,0,1,0,0,0|2,0,0]=4 54 B3R0.1 C(CS)S 6LN [1,0,1,0,0,0|2,0,0]=4 55 B3R0.1 C(N)[SH]=O OSM [1,0,1,0,0,0|2,0,0]=4 56 B3R0.1 C=CCN AYE [1,0,1,0,0,0|0,0,2]=4 57 B3R0.1 CCC#N CNV [1,0,1,0,0,0|0,0,2]=4 58 B3R0.1 CCC=O CBG [1,0,1,0,0,0|1,0,1]=4 59 B3R0.1 CCC=O PNL [1,0,1,0,0,0|1,0,1]=4 60 B3R0.1 CCCBr 3BR [1,0,1,0,0,0|1,0,0]=3 61 B3R0.1 CCCC BUT [1,0,1,0,0,0|0,0,0]=2 62 B3R0.1 CCCC NBU [1,0,1,0,0,0|0,0,0]=2 63 B3R0.1 CCCC SBU [1,0,1,0,0,0|0,0,0]=2 64 B3R0.1 CCCN 3CN [1,0,1,0,0,0|0,0,0]=2 65 B3R0.1 CCCO POL [1,0,1,0,0,0|1,0,0]=3 66 B3R0.1 CCCS XL3 [1,0,1,0,0,0|1,0,0]=3 67 B3R0.1 CCN=O NOE [1,0,1,0,0,0|1,0,1]=4 68 B3R0.1 CCNC ETN [1,0,1,0,0,0|0,0,0]=2 69 B3R0.1 CCOC 2ME [1,0,1,0,0,0|1,0,0]=3 70 B3R0.1 CC[N+]#C ENC [1,0,1,0,0,0|0,0,2]=4 71 B3R0.1 CNC=S MTF [1,0,1,0,0,0|1,0,1]=4 72 B3R0.1 C\C=C/N AKK [1,0,1,0,0,0|0,0,2]=4 73 B3R0.1 N=C\CN AEM [1,0,1,0,0,0|1,0,1]=4 74 B5R0.1 C(CN)C(=O)O BAL [0,1,1,0,0,0|1,0,1]=4 75 B5R0.1 CC(=O)CCO BUQ [0,1,1,0,0,0|1,0,1]=4 76 B5R0.1 CC(C)CCN LEN [0,1,1,0,0,0|0,0,0]=2 77 B5R0.1 CC(C)CCO IP3 [0,1,1,0,0,0|1,0,0]=3 78 B5R0.1 CCCC(=O)C PNH [0,1,1,0,0,0|1,0,0]=3 79 B5R0.1 CCCC(=O)N BMD [0,1,1,0,0,0|0,0,1]=3 80 B5R0.1 CCCC(=O)O BUA [0,1,1,0,0,0|1,0,1]=4 81 B5R0.1 CCC[N+](=O)[O-] N1P [0,1,1,0,0,0|1,0,1]=4 82 B5R0.1 CCOC(=O)C EEE [0,1,1,0,0,0|1,0,1]=4 83 B5R0.1 CCSC(=N)N ITU [0,1,1,0,0,0|1,0,1]=4 84 B5R0.1 CCSC(=N)N SEU [0,1,1,0,0,0|1,0,1]=4 85 B5R0.1 CNCC(=O)O MGY [0,1,1,0,0,0|1,0,1]=4 86 B5R0.1 CNCC(=O)O SAR [0,1,1,0,0,0|1,0,1]=4 87 B5R0.1 CSC[S@@](=O)C DSS [0,1,1,0,0,0|2,0,0]=4 88 B5R0.1 C[C@@H](CCO)O BU2 [0,1,1,0,0,0|1,0,0]=3 89 B5R0.1 C[C@H](CC=O)O 5KO [0,1,1,0,0,0|1,0,1]=4 90 B5R0.1 C[C@H](CCO)O BU4 [0,1,1,0,0,0|1,0,0]=3 91 B5R0.1 N=C(/N)\NCC EGD [0,1,1,0,0,0|1,0,1]=4 92 B5R0.1 N=C(\N)/[Se]CC ISU [0,1,1,0,0,0|1,0,1]=4 93 B5R0.2 C(CCN)CN PUT [0,1,1,0,0,0|0,0,0]=2 94 B5R0.2 C(CCO)CO BU1 [0,1,1,0,0,0|1,0,0]=3 95 B5R0.2 C(CCO)C[NH3+] 4HA [0,1,1,0,0,0|0,0,1]=3 96 B5R0.2 C(CCl)NC=O CEC [0,1,1,0,0,0|1,0,1]=4 97 B5R0.2 C(CN)CON XAP [0,1,1,0,0,0|1,0,0]=3 98 B5R0.2 CCC/C=N\O BXO [0,1,1,0,0,0|0,0,2]=4 99 B5R0.2 CCCCC=O PTL [0,1,1,0,0,0|1,0,0]=3 100 B5R0.2 CCCCCBr 5BR [0,1,1,0,0,0|1,0,0]=3 101 B5R0.2 CCCCCC HEX [0,1,1,0,0,0|1,0,0]=3 102 B5R0.2 CCCCCCl 7CL [0,1,1,0,0,0|1,0,0]=3 103 B5R0.2 CCCCCN AML [0,1,1,0,0,0|0,0,0]=2 104 B5R0.2 CCCCCO PE9 [0,1,1,0,0,0|1,0,0]=3 105 B5R0.2 CCCC[N+]#[C-] NBN [0,1,1,0,0,0|0,0,1]=3 106 B5R0.2 CCOCCO ETX [0,1,1,0,0,0|1,0,0]=3 107 B5R0.2 CNCCCN N3D [0,1,1,0,0,0|0,0,0]=2 108 B5R0.2 COCCOC DXE [0,1,1,0,0,0|1,0,0]=3 109 B5R0.3 C(C(CCl)Cl)Cl 3KP [0,1,1,0,0,0|2,0,0]=4 110 B5R0.3 C(C(CO)N)O SEL [0,1,1,0,0,0|2,0,0]=4 111 B5R0.3 C(C(CO)O)O CRY [0,1,1,0,0,0|2,0,0]=4 112 B5R0.3 C(C(CO)O)O GOL [0,1,1,0,0,0|2,0,0]=4 113 B5R0.3 C([C@@H](CCl)Cl)O D2P [0,1,1,0,0,0|2,0,0]=4 114 B5R0.3 C([C@H](CS)O)O SGM [0,1,1,0,0,0|2,0,0]=4 115 B5R0.3 CCC(CC)N D0M [0,1,1,0,0,0|1,0,0]=3 116 B5R0.3 CC[C@H](C)CN DCI [0,1,1,0,0,0|0,0,0]=2 117 B5R0.3 CC[C@H](C)CN MBA [0,1,1,0,0,0|0,0,0]=2 118 B5R0.3 CNC(=O)NC MMU [0,1,1,0,0,0|1,0,1]=4 119 B5R0.3 COC(=O)CN MEU [0,1,1,0,0,0|1,0,1]=4 120 B7R1.3 C1CC=CC(=O)C1 A2Q [0,1,0,0,0,1|1,0,1]=4 121 B7R1.3 C1CCC(=O)CC1 CYH [0,1,0,0,0,1|1,0,0]=3 122 B7R1.3 C1CCC(CC1)O CXL [0,1,0,0,0,1|1,0,0]=3 123 B7R1.3 C1CCC(CC1)[NH3+] HAI [0,1,0,0,0,1|1,0,0]=3 124 B7R1.3 C1CCNC(=N)C1 2IM [0,1,0,0,0,1|0,0,0]=2 125 B7R1.3 C1C[C@H](CN=C1)N XBB [0,1,0,0,0,1|0,0,1]=3 126 B7R1.1 C1CCN(C1)C=O FP6 [0,2,0,0,0,0|0,0,0]=2 127 B7R1.1 C1C[C@H](NC1)C#N QEJ [0,2,0,0,0,0|0,0,0]=2 128 B7R1.1 C1C[C@H](NC1)C=O PRI [0,2,0,0,0,0|0,0,0]=2 129 B7R1.1 C1C[C@H](NC1)CN P2Y [0,2,0,0,0,0|0,0,0]=2 130 B7R1.1 C1C[C@H]([N-]C1)[C-]=O PRO_LL [0,2,0,0,0,0|0,0,1]=3 131 B7R1.1 C1C[C@H]([NH2+]C1)[C-]=O PRO_LSN3 [0,2,0,0,0,0|0,0,1]=3 132 B7R1.2 C1CC(=O)CC1=O CEJ [0,2,0,0,0,0|1,0,1]=4 133 B7R1.4 C1COC(=O)[C@H]1N HSL [0,2,0,0,0,0|1,0,1]=4 134 B7R1.4 C1C[C@H]([C@H](C1)O)O 17Y [0,2,0,0,0,0|1,0,0]=3 135 B7R1.4 C1[C@H](C(=O)NO1)N 4AX [0,2,0,0,0,0|1,0,1]=4 136 B7R1.4 CN1CCCC1=O MB3 [0,2,0,0,0,0|0,0,1]=3 137 B7R1.4 CN1CCOC1=O 3MO [0,2,0,0,0,0|1,0,1]=4 138 B5R1.3 C1CC1CO 09V [0,0,1,1,0,0|1,0,0]=3 139 B5R2.1 C1C2[Pd]1C2 PLL [0,0,0,1,1,0|1,0,0]=3 140 B7R2.13 C1C[C@@H]2[C@H](C1)O2 3ZS [0,0,0,1,0,1|1,0,0]=3