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 ClCCCl DB03733 [1,0,0,0,0,0|2,0,0]=3 12 B3R0.1 N=CCN DB02108 [1,0,0,0,0,0|2,0,1]=4 13 B3R0.1 NCCN DB14189 [1,0,0,0,0,0|2,0,0]=3 14 B3R0.1 NCCO DB03994 [1,0,0,0,0,0|1,0,0]=2 15 B3R0.1 OCCS DB03345 [1,0,0,0,0,0|1,0,0]=2 16 B5R0.1 C=C(Br)CCO DB04592 [0,1,0,0,0,0|0,0,2]=3 17 B5R0.1 CC(=O)CCO DB04094 [0,1,0,0,0,0|0,0,1]=2 18 B5R0.1 CC(C)CCO DB02296 [0,1,0,0,0,0|0,0,0]=1 19 B5R0.1 CC(O)CCO DB14110 [0,1,0,0,0,0|0,0,0]=1 20 B5R0.1 CCCC(=O)O DB03568 [0,1,0,0,0,0|0,0,1]=2 21 B5R0.1 CCCC(N)=O DB02121 [0,1,0,0,0,0|0,0,2]=3 22 B5R0.1 CCSC(=N)N DB02234 [0,1,0,0,0,0|2,0,1]=4 23 B5R0.1 CC[Se]C(=N)N DB02589 [0,1,0,0,0,0|2,0,1]=4 24 B5R0.1 CN(C)CCO DB13352 [0,1,0,0,0,0|1,0,0]=2 25 B5R0.1 CSCC(=O)[O-] DB03517 [0,1,0,0,0,0|1,0,2]=4 26 B5R0.1 CSC[S@](C)=O DB02311 [0,1,0,0,0,0|2,0,1]=4 27 B5R0.1 C[C@H](O)CCO DB02202 [0,1,0,0,0,0|0,0,0]=1 28 B5R0.1 C[Se]CC(=O)[O-] DB03098 [0,1,0,0,0,0|1,0,2]=4 29 B5R0.1 C[Te]CC(=O)[O-] DB01918 [0,1,0,0,0,0|1,0,2]=4 30 B5R0.1 C\C=C\C(=O)O DB02074 [0,1,0,0,0,0|0,0,3]=4 31 B5R0.1 NCCC(=O)O DB03107 [0,1,0,0,0,0|1,0,1]=3 32 B5R0.1 NOCC(=O)O DB02079 [0,1,0,0,0,0|2,0,1]=4 33 B5R0.1 O=C(O)CCO DB03688 [0,1,0,0,0,0|1,0,1]=3 34 B5R0.2 CCCCC=O DB01919 [0,1,0,0,0,0|0,0,1]=2 35 B5R0.2 CCCCCN DB02045 [0,1,0,0,0,0|1,0,0]=2 36 B5R0.2 CCOCCO DB02249 [0,1,0,0,0,0|0,0,0]=1 37 B5R0.2 COCCOC DB01749 [0,1,0,0,0,0|1,0,0]=2 38 B5R0.2 NCCCCN DB01917 [0,1,0,0,0,0|1,0,0]=2 39 B5R0.2 OCCCCO DB01955 [0,1,0,0,0,0|0,0,0]=1 40 B5R0.2 [C-]#[N+]CCCC DB01826 [0,1,0,0,0,0|1,0,0]=2 41 B5R0.2 [NH3+]CCCCO DB02541 [0,1,0,0,0,0|0,0,0]=1 42 B5R0.3 O=C(CO)CO DB01775 [0,1,0,0,0,0|1,0,1]=3 43 B5R0.3 O=C[C@H](O)CO DB02536 [0,1,0,0,0,0|1,0,1]=3 44 B5R0.3 OC[C@@H](O)CS DB03864 [0,1,0,0,0,0|1,0,0]=2 45 B2R0.1 CCCl DB13259 [2,0,0,0,0,0|1,0,0]=3 46 B2R0.1 N=N/C DB04361 [2,0,0,0,0,0|2,0,0]=4 47 B2R0.1 O=CO DB01942 [2,0,0,0,0,0|1,0,1]=4 48 B2R0.1 [C-]#[N+]C DB04337 [2,0,0,0,0,0|1,0,1]=4 49 B4R0.1 C=C(Br)CO DB04320 [1,1,0,0,0,0|0,0,2]=4 50 B4R0.1 CCC(N)=O DB04161 [1,1,0,0,0,0|0,0,2]=4 51 B4R0.1 CC[C@@H](C)O DB02606 [1,1,0,0,0,0|0,0,0]=2 52 B4R0.1 C[C@@H](Cl)CCl DB01701 [1,1,0,0,0,0|1,0,0]=3 53 B4R0.1 C[C@@H](O)CO DB02159 [1,1,0,0,0,0|0,0,0]=2 54 B4R0.1 C[C@H](O)C=O DB03776 [1,1,0,0,0,0|0,0,2]=4 55 B4R0.1 C[C@H](O)CBr DB03335 [1,1,0,0,0,0|1,0,0]=3 56 B4R0.1 C[C@H](O)CO DB04349 [1,1,0,0,0,0|0,0,0]=2 57 B4R0.1 C[C@H](O)C[NH3+] DB02576 [1,1,0,0,0,0|1,0,0]=3 58 B4R0.1 O=C(O)CBr DB02198 [1,1,0,0,0,0|1,0,1]=4 59 B6R0.1 CCNC(=O)OC DB03919 [0,2,0,0,0,0|1,0,1]=4 60 B6R0.1 OC[C@@H](O)CSO DB01684 [0,2,0,0,0,0|1,0,0]=3 61 B6R0.2 CC(=O)CC(=O)O DB01762 [0,2,0,0,0,0|0,0,2]=4 62 B6R0.2 CC(C)CC(=O)O DB03750 [0,2,0,0,0,0|0,0,1]=3 63 B6R0.2 CC(C)C[C@@H](C)N DB02107 [0,2,0,0,0,0|1,0,0]=3 64 B6R0.2 CN(C)CC(=O)O DB02083 [0,2,0,0,0,0|1,0,1]=4 65 B6R0.3 CC(C)[C@H](N)CO DB04383 [0,2,0,0,0,0|0,0,0]=2 66 B6R0.3 CCC(=O)C(=O)O DB04553 [0,2,0,0,0,0|0,0,2]=4 67 B6R0.3 CC[C@@H](C)C(=O)O DB03741 [0,2,0,0,0,0|0,0,1]=3 68 B6R0.3 CC[C@@H](N)C(=O)O DB04454 [0,2,0,0,0,0|0,0,1]=3 69 B6R0.3 N[C@@H](C[NH3+])C(=O)O DB03320 [0,2,0,0,0,0|1,0,1]=4 70 B6R0.3 N[C@@H](C[SeH])C(=O)O DB02345 [0,2,0,0,0,0|1,0,1]=4 71 B6R0.3 N[C@H](CO)C(=O)O DB03929 [0,2,0,0,0,0|1,0,1]=4 72 B6R0.3 N[C@H](CS)C(=O)O DB03201 [0,2,0,0,0,0|1,0,1]=4 73 B6R0.3 [C@H](C)(O)[C@H](N)CO DB01724 [0,2,0,0,0,0|0,0,0]=2 74 B6R0.3 [C@H](N)(CS)C(=N)O DB03275 [0,2,0,0,0,0|1,0,1]=4 75 B6R0.4 CCCCB(O)O DB02664 [0,2,0,0,0,0|0,0,0]=2 76 B6R0.4 CCCCC(=O)O DB02406 [0,2,0,0,0,0|0,0,0]=2 77 B6R0.4 CCCOC(C)=O DB01670 [0,2,0,0,0,0|0,0,2]=4 78 B6R0.5 CCOP(=O)(O)O DB03822 [0,2,0,0,0,0|2,0,0]=4 79 B6R0.5 C[N+](C)(C)CCS DB01803 [0,2,0,0,0,0|1,1,0]=4 80 B6R0.6 NCCCCCN DB03854 [0,2,0,0,0,0|1,0,0]=3 81 B6R0.6 O=CCCCC=O DB03266 [0,2,0,0,0,0|0,0,2]=4 82 B6R1.2 O=C1CCCO1 DB04699 [0,1,0,1,0,0|0,0,1]=3 83 B6R1.2 OB1OCCO1 DB04369 [0,1,0,1,0,0|2,0,0]=4 84 B6R1.1 C1CCOCC1 DB02412 [0,1,0,1,0,0|0,0,0]=2 85 B6R1.1 C1COCCO1 DB03316 [0,1,0,1,0,0|0,0,0]=2