0 B4R0.2 CCCCN DB03659 [0,0,0,0,0,0|1,0,0]=1 1 B4R0.2 CCCCO DB02145 [0,0,0,0,0,0|0,0,0]=0 2 B4R0.2 COCCO DB02806 [0,0,0,0,0,0|1,0,0]=1 3 B4R0.2 C\C=C\C=O DB04381 [0,0,0,0,0,0|0,0,4]=4 4 B4R0.2 O=CCC=O DB03057 [0,0,0,0,0,0|1,0,3]=4 5 B4R0.2 OCCCO DB02774 [0,0,0,0,0,0|1,0,0]=1 6 B4R0.2 [C-]#[N+]CCC DB04050 [0,0,0,0,0,0|2,0,0]=2 7 B3R0.1 C#[N+]CC DB03399 [1,0,0,0,0,0|1,0,1]=3 8 B3R0.1 CCCO DB03175 [1,0,0,0,0,0|0,0,0]=1 9 B3R0.1 CCN=O DB02646 [1,0,0,0,0,0|1,0,1]=3 10 B3R0.1 CCNC DB02396 [1,0,0,0,0,0|1,0,0]=2 11 B3R0.1 CN=C=O DB12765 [1,0,0,0,0,0|1,0,2]=4 12 B3R0.1 ClCCCl DB03733 [1,0,0,0,0,0|2,0,0]=3 13 B3R0.1 N=CCN DB02108 [1,0,0,0,0,0|2,0,1]=4 14 B3R0.1 NCCN DB14189 [1,0,0,0,0,0|2,0,0]=3 15 B3R0.1 NCCO DB03994 [1,0,0,0,0,0|1,0,0]=2 16 B3R0.1 NCCS DB00847 [1,0,0,0,0,0|1,1,0]=3 17 B3R0.1 O=BOO DB13235 [1,0,0,0,0,0|3,0,0]=4 18 B3R0.1 OCCS DB03345 [1,0,0,0,0,0|1,0,0]=2 19 B5R0.1 C=C(Br)CCO DB04592 [0,1,0,0,0,0|0,0,2]=3 20 B5R0.1 CC(=O)CCO DB04094 [0,1,0,0,0,0|0,0,1]=2 21 B5R0.1 CC(C)CCO DB02296 [0,1,0,0,0,0|0,0,0]=1 22 B5R0.1 CC(O)CCO DB14110 [0,1,0,0,0,0|0,0,0]=1 23 B5R0.1 CCCC(=O)O DB03568 [0,1,0,0,0,0|0,0,1]=2 24 B5R0.1 CCCC(N)=O DB02121 [0,1,0,0,0,0|0,0,2]=3 25 B5R0.1 CCOC(N)=O DB04827 [0,1,0,0,0,0|1,0,2]=4 26 B5R0.1 CCSC(=N)N DB02234 [0,1,0,0,0,0|2,0,1]=4 27 B5R0.1 CC[Se]C(=N)N DB02589 [0,1,0,0,0,0|2,0,1]=4 28 B5R0.1 CN(C)CCO DB13352 [0,1,0,0,0,0|1,0,0]=2 29 B5R0.1 CNCC(=O)O DB12519 [0,1,0,0,0,0|1,0,1]=3 30 B5R0.1 CSCC(=O)[O-] DB03517 [0,1,0,0,0,0|1,0,2]=4 31 B5R0.1 CSC[S@](C)=O DB02311 [0,1,0,0,0,0|2,0,1]=4 32 B5R0.1 C[C@H](O)CCO DB02202 [0,1,0,0,0,0|0,0,0]=1 33 B5R0.1 C[Se]CC(=O)[O-] DB03098 [0,1,0,0,0,0|1,0,2]=4 34 B5R0.1 C[Te]CC(=O)[O-] DB01918 [0,1,0,0,0,0|1,0,2]=4 35 B5R0.1 C\C=C\C(=O)O DB02074 [0,1,0,0,0,0|0,0,3]=4 36 B5R0.1 NCCC(=O)O DB03107 [0,1,0,0,0,0|1,0,1]=3 37 B5R0.1 NOCC(=O)O DB02079 [0,1,0,0,0,0|2,0,1]=4 38 B5R0.1 O=C(O)CCO DB03688 [0,1,0,0,0,0|1,0,1]=3 39 B5R0.2 CCCCC=O DB01919 [0,1,0,0,0,0|0,0,1]=2 40 B5R0.2 CCCCCN DB02045 [0,1,0,0,0,0|1,0,0]=2 41 B5R0.2 CCOCCO DB02249 [0,1,0,0,0,0|0,0,0]=1 42 B5R0.2 COCCOC DB01749 [0,1,0,0,0,0|1,0,0]=2 43 B5R0.2 NCCCCN DB01917 [0,1,0,0,0,0|1,0,0]=2 44 B5R0.2 OCCCCO DB01955 [0,1,0,0,0,0|0,0,0]=1 45 B5R0.2 [C-]#[N+]CCCC DB01826 [0,1,0,0,0,0|1,0,0]=2 46 B5R0.2 [NH3+]CCCCO DB02541 [0,1,0,0,0,0|0,0,0]=1 47 B5R0.3 O=C(CO)CO DB01775 [0,1,0,0,0,0|1,0,1]=3 48 B5R0.3 O=C[C@H](O)CO DB02536 [0,1,0,0,0,0|1,0,1]=3 49 B5R0.3 OCC(O)CO DB09462 [0,1,0,0,0,0|1,0,0]=2 50 B5R0.3 OCC(S)CS DB06782 [0,1,0,0,0,0|1,0,0]=2 51 B5R0.3 OC[C@@H](O)CS DB03864 [0,1,0,0,0,0|1,0,0]=2 52 B5R1.2 O=C1CCO1 DB09348 [0,0,0,1,0,0|1,0,1]=3 53 B5R1.3 ClCC1CO1 DB00658 [0,0,0,1,0,0|1,0,0]=2 54 B2R0.1 CCCl DB13259 [2,0,0,0,0,0|1,0,0]=3 55 B2R0.1 CCO DB00898 [2,0,0,0,0,0|0,0,0]=2 56 B2R0.1 CON DB06328 [2,0,0,0,0,0|2,0,0]=4 57 B2R0.1 N=N/C DB04361 [2,0,0,0,0,0|2,0,0]=4 58 B2R0.1 O=CO DB01942 [2,0,0,0,0,0|1,0,1]=4 59 B2R0.1 O=NO DB09112 [2,0,0,0,0,0|2,0,0]=4 60 B2R0.1 [C-]#[N+]C DB04337 [2,0,0,0,0,0|1,0,1]=4 61 B4R0.1 C=C(Br)CO DB04320 [1,1,0,0,0,0|0,0,2]=4 62 B4R0.1 CC(=O)NO DB00551 [1,1,0,0,0,0|1,0,1]=4 63 B4R0.1 CC(O)CO DB01839 [1,1,0,0,0,0|0,0,0]=2 64 B4R0.1 CCC(=O)O DB03766 [1,1,0,0,0,0|0,0,1]=3 65 B4R0.1 CCC(N)=O DB04161 [1,1,0,0,0,0|0,0,2]=4 66 B4R0.1 CC[C@@H](C)O DB02606 [1,1,0,0,0,0|0,0,0]=2 67 B4R0.1 C[C@@H](Cl)CCl DB01701 [1,1,0,0,0,0|1,0,0]=3 68 B4R0.1 C[C@@H](O)CO DB02159 [1,1,0,0,0,0|0,0,0]=2 69 B4R0.1 C[C@H](O)C=O DB03776 [1,1,0,0,0,0|0,0,2]=4 70 B4R0.1 C[C@H](O)CBr DB03335 [1,1,0,0,0,0|1,0,0]=3 71 B4R0.1 C[C@H](O)CO DB04349 [1,1,0,0,0,0|0,0,0]=2 72 B4R0.1 C[C@H](O)C[NH3+] DB02576 [1,1,0,0,0,0|1,0,0]=3 73 B4R0.1 NCC(=O)O DB00145 [1,1,0,0,0,0|1,0,1]=4 74 B4R0.1 O=C(O)CBr DB02198 [1,1,0,0,0,0|1,0,1]=4 75 B4R0.1 O=C(O)CO DB03085 [1,1,0,0,0,0|1,0,1]=4 76 B6R0.1 CCNC(=O)OC DB03919 [0,2,0,0,0,0|1,0,1]=4 77 B6R0.1 CNC(=S)NCO DB13838 [0,2,0,0,0,0|1,0,1]=4 78 B6R0.1 OC[C@@H](O)CSO DB01684 [0,2,0,0,0,0|1,0,0]=3 79 B6R0.2 CC(=O)CC(=O)O DB01762 [0,2,0,0,0,0|0,0,2]=4 80 B6R0.2 CC(C)CC(=O)O DB03750 [0,2,0,0,0,0|0,0,1]=3 81 B6R0.2 CC(C)C[C@@H](C)N DB02107 [0,2,0,0,0,0|1,0,0]=3 82 B6R0.2 CN(C)CC(=O)O DB02083 [0,2,0,0,0,0|1,0,1]=4 83 B6R0.3 CC(C)[C@H](N)CO DB04383 [0,2,0,0,0,0|0,0,0]=2 84 B6R0.3 CCC(=O)C(=O)O DB04553 [0,2,0,0,0,0|0,0,2]=4 85 B6R0.3 CC[C@@H](C)C(=O)O DB03741 [0,2,0,0,0,0|0,0,1]=3 86 B6R0.3 CC[C@@H](N)C(=O)O DB04454 [0,2,0,0,0,0|0,0,1]=3 87 B6R0.3 N[C@@H](CO)C(=O)O DB00133 [0,2,0,0,0,0|1,0,1]=4 88 B6R0.3 N[C@@H](CS)C(=O)O DB00151 [0,2,0,0,0,0|1,0,1]=4 89 B6R0.3 N[C@@H](C[NH3+])C(=O)O DB03320 [0,2,0,0,0,0|1,0,1]=4 90 B6R0.3 N[C@@H](C[SeH])C(=O)O DB02345 [0,2,0,0,0,0|1,0,1]=4 91 B6R0.3 N[C@H](CO)C(=O)O DB03929 [0,2,0,0,0,0|1,0,1]=4 92 B6R0.3 N[C@H](CS)C(=O)O DB03201 [0,2,0,0,0,0|1,0,1]=4 93 B6R0.3 [C@H](C)(O)[C@H](N)CO DB01724 [0,2,0,0,0,0|0,0,0]=2 94 B6R0.3 [C@H](N)(CS)C(=N)O DB03275 [0,2,0,0,0,0|1,0,1]=4 95 B6R0.3 [C@H](N)(CS)C(=O)O DB11197 [0,2,0,0,0,0|1,0,1]=4 96 B6R0.4 CCCCB(O)O DB02664 [0,2,0,0,0,0|0,0,0]=2 97 B6R0.4 CCCCC(=O)O DB02406 [0,2,0,0,0,0|0,0,0]=2 98 B6R0.4 CCCOC(C)=O DB01670 [0,2,0,0,0,0|0,0,2]=4 99 B6R0.4 NCCCC(=O)O DB02530 [0,2,0,0,0,0|0,0,1]=3 100 B6R0.4 O=C([O-])CCCO DB01440 [0,2,0,0,0,0|0,0,1]=3 101 B6R0.4 O=C([O-])CCCO DB09072 [0,2,0,0,0,0|0,0,1]=3 102 B6R0.5 CCOP(=O)(O)O DB03822 [0,2,0,0,0,0|2,0,0]=4 103 B6R0.5 C[N+](C)(C)CCO DB00122 [0,2,0,0,0,0|1,0,0]=3 104 B6R0.5 C[N+](C)(C)CCS DB01803 [0,2,0,0,0,0|1,1,0]=4 105 B6R0.5 C[N+](C)([11CH3])CCO DB09277 [0,2,0,0,0,0|1,0,0]=3 106 B6R0.5 C[N+](C)([11CH3])CCO DB09563 [0,2,0,0,0,0|1,0,0]=3 107 B6R0.5 NCCS(=O)(=O)O DB01956 [0,2,0,0,0,0|2,0,0]=4 108 B6R0.5 O=S(=O)(O)CCS DB09110 [0,2,0,0,0,0|2,0,0]=4 109 B6R0.6 NCCCCCN DB03854 [0,2,0,0,0,0|1,0,0]=3 110 B6R0.6 O=CCCCC=O DB03266 [0,2,0,0,0,0|0,0,2]=4 111 B4R1.2 CC1CO1 DB11451 [1,0,0,1,0,0|0,0,0]=2 112 B6R1.2 O=C1CCCO1 DB04699 [0,1,0,1,0,0|0,0,1]=3 113 B6R1.2 OB1OCCO1 DB04369 [0,1,0,1,0,0|2,0,0]=4 114 B6R1.1 C1CCOCC1 DB02412 [0,1,0,1,0,0|0,0,0]=2 115 B6R1.1 C1CNCCN1 DB00592 [0,1,0,1,0,0|1,0,0]=3 116 B6R1.1 C1COCCO1 DB03316 [0,1,0,1,0,0|0,0,0]=2