0 B4R0.1 C(=C(Cl)Cl)Cl TCV [0,0,0,0,0,0|0,0,0]=0 1 B4R0.1 C(=N)(N)NN AGU [0,0,0,0,0,0|4,0,0]=4 2 B4R0.1 C(=N)(N)NO HGU [0,0,0,0,0,0|4,0,0]=4 3 B4R0.1 C(=O)(N)NO NHY [0,0,0,0,0,0|4,0,0]=4 4 B4R0.1 C(=O)C(=O)O GLV [0,0,0,0,0,0|3,0,0]=3 5 B4R0.1 C(=S)(N)NN TSZ [0,0,0,0,0,0|4,0,0]=4 6 B4R0.1 C(C(=O)N)F FTM [0,0,0,0,0,0|2,1,1]=4 7 B4R0.1 C(C(=O)N)N GM1 [0,0,0,0,0,0|3,0,1]=4 8 B4R0.1 C(C(=O)O)Br BRM [0,0,0,0,0,0|2,1,1]=4 9 B4R0.1 C(C(=O)O)Br BXA [0,0,0,0,0,0|2,1,1]=4 10 B4R0.1 C(C(=O)O)Cl R3W [0,0,0,0,0,0|2,0,1]=3 11 B4R0.1 C(C(=O)O)F FAH [0,0,0,0,0,0|2,1,1]=4 12 B4R0.1 C(C(=O)O)I 04E [0,0,0,0,0,0|2,1,1]=4 13 B4R0.1 C(C(=O)O)N GLY [0,0,0,0,0,0|3,0,1]=4 14 B4R0.1 C(C(=O)O)N GLY_LFOH [0,0,0,0,0,0|3,0,1]=4 15 B4R0.1 C(C(=O)O)O GOA [0,0,0,0,0,0|3,0,1]=4 16 B4R0.1 C(C(=O)O)S MCR [0,0,0,0,0,0|3,0,1]=4 17 B4R0.1 C(C(=O)O)[NH-] GLY_LEO2H [0,0,0,0,0,0|3,0,1]=4 18 B4R0.1 C(C(=O)S)N GL3 [0,0,0,0,0,0|3,0,1]=4 19 B4R0.1 C(C(=O)[O-])[NH-] GLY_LEO2 [0,0,0,0,0,0|3,0,1]=4 20 B4R0.1 C(C(=O)[O-])[NH3+] GLY_LFZW [0,0,0,0,0,0|3,0,1]=4 21 B4R0.1 C=C(CO)Br BRP [0,0,0,0,0,0|2,1,1]=4 22 B4R0.1 C=CC(=O)N 1HC [0,0,0,0,0,0|3,0,0]=3 23 B4R0.1 C=CC(=O)O AKR [0,0,0,0,0,0|3,0,0]=3 24 B4R0.1 CC(=C)C=C 61G [0,0,0,0,0,0|3,0,0]=3 25 B4R0.1 CC(=C)CN IRS [0,0,0,0,0,0|3,0,1]=4 26 B4R0.1 CC(=O)C=O PVL [0,0,0,0,0,0|3,0,0]=3 27 B4R0.1 CC(=O)CCl ATO [0,0,0,0,0,0|2,0,1]=3 28 B4R0.1 CC(=O)CN GCM [0,0,0,0,0,0|3,0,1]=4 29 B4R0.1 CC(=O)CN GLM [0,0,0,0,0,0|3,0,1]=4 30 B4R0.1 CC(=O)CO 4Y8 [0,0,0,0,0,0|3,0,1]=4 31 B4R0.1 CC(=O)NC NML [0,0,0,0,0,0|4,0,0]=4 32 B4R0.1 CC(=O)NO HAE [0,0,0,0,0,0|4,0,0]=4 33 B4R0.1 CC(=O)OO F50 [0,0,0,0,0,0|4,0,0]=4 34 B4R0.1 CC(=O)O[Hg+] MAC [0,0,0,0,0,0|4,0,0]=4 35 B4R0.1 CC(C)C=O 5OZ [0,0,0,0,0,0|3,0,1]=4 36 B4R0.1 CC=C(C)C 2MB [0,0,0,0,0,0|3,0,0]=3 37 B4R0.1 CCC(=O)N ROP [0,0,0,0,0,0|3,0,1]=4 38 B4R0.1 CCC(=O)O PPI [0,0,0,0,0,0|3,0,1]=4 39 B4R0.1 CN(C)C=O DMF [0,0,0,0,0,0|4,0,0]=4 40 B4R0.1 CNC(=O)N NMU [0,0,0,0,0,0|4,0,0]=4 41 B4R0.1 CNC(=O)O RGI [0,0,0,0,0,0|4,0,0]=4 42 B4R0.1 COC(=O)O 000 [0,0,0,0,0,0|4,0,0]=4 43 B4R0.1 C[C@@H](C=O)N 5XU [0,0,0,0,0,0|3,0,1]=4 44 B4R0.1 C[C@@H](CCl)Cl CP2 [0,0,0,0,0,0|1,0,2]=3 45 B4R0.1 N=C(\N)/NC MGX [0,0,0,0,0,0|4,0,0]=4 46 B3R0.1 C(=C/Br)/Br CB0 [1,0,0,0,0,0|0,2,0]=3 47 B3R0.1 C(=CS)N TEE [1,0,0,0,0,0|2,0,0]=3 48 B3R0.1 C(=O)C=O GXT [1,0,0,0,0,0|2,0,0]=3 49 B3R0.1 C(C=O)N GLZ [1,0,0,0,0,0|2,0,1]=4 50 B3R0.1 C(CCl)Cl DCE [1,0,0,0,0,0|0,0,2]=3 51 B3R0.1 C=CC#N 6AC [1,0,0,0,0,0|2,0,1]=4 52 B3R0.1 C=CCN AYE [1,0,0,0,0,0|2,0,1]=4 53 B3R0.1 C=CCO 5VQ [1,0,0,0,0,0|2,0,1]=4 54 B3R0.1 CCC=O CBG [1,0,0,0,0,0|2,0,1]=4 55 B3R0.1 CCC=O PNL [1,0,0,0,0,0|2,0,1]=4 56 B3R0.1 CNC=S MTF [1,0,0,0,0,0|3,0,0]=4 57 B3R0.1 C\C=C/N AKK [1,0,0,0,0,0|2,0,0]=3 58 B3R0.1 C\C=N\O AXO [1,0,0,0,0,0|3,0,0]=4 59 B3R0.1 N=C\CN AEM [1,0,0,0,0,0|2,0,1]=4 60 B3R0.1 O([Fe])[Fe]Cl CFO [1,0,0,0,0,0|3,0,0]=4 61 B3R0.2 C(=N)(N)N GAI [1,0,0,0,0,0|3,0,0]=4 62 B3R0.2 C(=O)(N)N URE [1,0,0,0,0,0|3,0,0]=4 63 B3R0.2 C(=O)(N)O OUT [1,0,0,0,0,0|3,0,0]=4 64 B3R0.2 C(=O)(O)[O-] BCT [1,0,0,0,0,0|3,0,0]=4 65 B3R0.2 C(=O)([O-])[O-] CO3 [1,0,0,0,0,0|3,0,0]=4 66 B3R0.2 C(=S)(N)N TOU [1,0,0,0,0,0|3,0,0]=4 67 B3R0.2 C(=S)(S)S KCS [1,0,0,0,0,0|3,0,0]=4 68 B3R0.2 C(=[Se])(N)N SEY [1,0,0,0,0,0|3,0,0]=4 69 B3R0.2 C(Cl)(Cl)Cl MCH [1,0,0,0,0,0|0,0,1]=2 70 B3R0.2 CC(=C)C MEB [1,0,0,0,0,0|2,0,0]=3 71 B3R0.2 CC(=O)C ACN [1,0,0,0,0,0|2,0,1]=4 72 B3R0.2 CC(=O)N ACM [1,0,0,0,0,0|2,0,1]=4 73 B3R0.2 CC(=O)N CNM [1,0,0,0,0,0|2,0,1]=4 74 B3R0.2 CC(=O)O ACY [1,0,0,0,0,0|2,0,1]=4 75 B3R0.2 CC(=O)O CBM [1,0,0,0,0,0|2,0,1]=4 76 B3R0.2 CC(=O)O CM [1,0,0,0,0,0|2,0,1]=4 77 B3R0.2 CC(=O)[O-] ACT [1,0,0,0,0,0|2,0,1]=4 78 B5R0.1 CC=CC(=O)O BEO [0,1,0,0,0,0|3,0,0]=4 79 B5R0.3 C(C(=O)CCl)Cl CHM [0,1,0,0,0,0|1,0,1]=3 80 B5R0.3 C(C(CCl)Cl)Cl 3KP [0,1,0,0,0,0|0,0,2]=3 81 B5R0.3 C([C@@H](CCl)Cl)O D2P [0,1,0,0,0,0|1,0,2]=4 82 B5R0.4 C(=O)C(Cl)(Cl)Cl CLX [0,1,0,0,0,0|1,0,1]=3 83 B5R0.5 C(=O)(C(=O)O)N OXM [0,1,0,0,0,0|3,0,0]=4 84 B5R0.5 C(=O)(C(=O)O)O OXD [0,1,0,0,0,0|3,0,0]=4 85 B5R0.5 C(=O)(C(=O)[O-])[O-] OXL [0,1,0,0,0,0|3,0,0]=4 86 B5R0.5 C(C(=O)O)(Cl)Cl TF4 [0,1,0,0,0,0|1,0,1]=3 87 B5R0.5 C=C(C(=O)N)N PYT [0,1,0,0,0,0|3,0,0]=4 88 B5R0.5 C=C(C(=O)O)N DHA [0,1,0,0,0,0|3,0,0]=4 89 B5R0.5 CC(=O)C(=O)N PYM [0,1,0,0,0,0|3,0,0]=4 90 B5R0.5 CC(=O)C(=O)O PYR [0,1,0,0,0,0|3,0,0]=4 91 B5R0.5 CC(=[NH2+])C(=O)[O-] NAK [0,1,0,0,0,0|3,0,0]=4 92 B5R0.5 C[C@@H](C(=O)O)Cl CNR [0,1,0,0,0,0|2,0,1]=4 93 B2R0.1 C(=O)N ARF [2,0,0,0,0,0|2,0,0]=4 94 B2R0.1 C(=O)O CBX [2,0,0,0,0,0|2,0,0]=4 95 B2R0.1 C(=O)O FMT [2,0,0,0,0,0|2,0,0]=4 96 B2R0.1 C=[N+]=[N-] 0HQ [2,0,0,0,0,0|2,0,0]=4 97 B2R0.1 CC=O ACE [2,0,0,0,0,0|1,0,1]=4 98 B2R0.1 CC=O ACU [2,0,0,0,0,0|1,0,1]=4 99 B2R0.1 CC=O MCB [2,0,0,0,0,0|1,0,1]=4 100 B2R0.1 CCCl MCE [2,0,0,0,0,0|0,0,2]=4 101 B2R0.1 Cl[Cu]Cl CUL [2,0,0,0,0,0|1,0,0]=3 102 B2R0.1 Cl[Pt]Cl PCL [2,0,0,0,0,0|1,0,0]=3 103 B2R0.1 N=C/C E1H [2,0,0,0,0,0|1,0,1]=4 104 B4R0.2 C(C=O)C=O MDD [1,1,0,0,0,0|2,0,0]=4 105 B4R0.2 C(CCl)CCl 0CL [1,1,0,0,0,0|0,0,2]=4 106 B4R0.2 C/C=C/C=O CRD [1,1,0,0,0,0|2,0,0]=4 107 B4R0.3 Cl[Pt-2](Cl)(Cl)Cl PC4 [1,1,0,0,0,0|1,0,0]=3 108 B4R0.3 N[Pt](N)(Cl)Cl NCP [1,1,0,0,0,0|2,0,0]=4 109 B4R0.3 [NH3][Pt]([NH3])(Cl)Cl CPT [1,1,0,0,0,0|2,0,0]=4 110 B6R0.2 C(C(=O)O)C(=O)Cl PR6 [0,2,0,0,0,0|2,0,0]=4 111 B6R1.2 c1c(cn[nH]1)Cl JZ6 [0,1,0,1,0,0|2,0,0]=4 112 B6R1.2 c1cnc([nH]1)Cl 5KX [0,1,0,1,0,0|2,0,0]=4