0 B6R1.2 NC1=NCCS1 DB02335 [0,0,0,0,0,0|2,1,0]=3 1 B6R1.2 O=C1CCCO1 DB04699 [0,0,0,0,0,0|0,0,0]=0 2 B6R1.2 OB1OCCO1 DB04369 [0,0,0,0,0,0|2,0,1]=3 3 B7R1.1 NC[C@@H]1CCCN1 DB03253 [0,1,0,0,0,0|2,0,1]=4 4 B7R1.4 N[C@@H]1CCOC1=O DB02624 [0,1,0,0,0,0|0,0,0]=1 5 B5R0.1 C=C(Br)CCO DB04592 [0,0,1,0,0,0|3,0,0]=4 6 B5R0.1 CC(=O)CCO DB04094 [0,0,1,0,0,0|2,0,0]=3 7 B5R0.1 CC(O)CCO DB14110 [0,0,1,0,0,0|2,0,1]=4 8 B5R0.1 CCCC(=O)O DB03568 [0,0,1,0,0,0|0,0,0]=1 9 B5R0.1 CCCC(N)=O DB02121 [0,0,1,0,0,0|1,0,0]=2 10 B5R0.1 CCSC(=N)N DB02234 [0,0,1,0,0,0|2,1,0]=4 11 B5R0.1 CC[Se]C(=N)N DB02589 [0,0,1,0,0,0|2,1,0]=4 12 B5R0.1 CSCC(=O)[O-] DB03517 [0,0,1,0,0,0|1,0,1]=3 13 B5R0.1 CSC[S@](C)=O DB02311 [0,0,1,0,0,0|3,0,0]=4 14 B5R0.1 C[C@H](O)CCO DB02202 [0,0,1,0,0,0|2,0,1]=4 15 B5R0.1 C[Se]CC(=O)[O-] DB03098 [0,0,1,0,0,0|1,0,1]=3 16 B5R0.1 C[Te]CC(=O)[O-] DB01918 [0,0,1,0,0,0|1,0,1]=3 17 B5R0.1 C\C=C\C(=O)O DB02074 [0,0,1,0,0,0|0,0,2]=3 18 B5R0.1 NCCC(=O)O DB03107 [0,0,1,0,0,0|1,0,0]=2 19 B5R0.1 NOCC(=O)O DB02079 [0,0,1,0,0,0|2,0,0]=3 20 B5R0.1 O=C(O)CCO DB03688 [0,0,1,0,0,0|1,0,0]=2 21 B5R0.2 CCCCC=O DB01919 [0,0,1,0,0,0|1,0,0]=2 22 B5R0.2 CCCCCN DB02045 [0,0,1,0,0,0|2,0,1]=4 23 B5R0.2 CCOCCO DB02249 [0,0,1,0,0,0|2,0,1]=4 24 B5R0.2 NCCCCN DB01917 [0,0,1,0,0,0|2,0,1]=4 25 B5R0.2 OCCCCO DB01955 [0,0,1,0,0,0|0,0,2]=3 26 B5R0.2 [C-]#[N+]CCCC DB01826 [0,0,1,0,0,0|3,0,0]=4 27 B5R0.2 [NH3+]CCCCO DB02541 [0,0,1,0,0,0|1,0,1]=3 28 B5R0.3 O=C(CO)CO DB01775 [0,0,1,0,0,0|3,0,0]=4 29 B7R1.3 O=C1CCCCC1 DB02060 [0,0,0,0,0,1|1,0,0]=2 30 B7R1.3 OC1CCCCC1 DB03703 [0,0,0,0,0,1|1,0,2]=4 31 B7R1.3 [NH3+]C1CCCCC1 DB02995 [0,0,0,0,0,1|2,0,1]=4 32 B4R0.1 C=CC(=O)O DB02579 [1,0,1,0,0,0|0,0,2]=4 33 B4R0.1 CC(=O)C=O DB03587 [1,0,1,0,0,0|1,0,1]=4 34 B4R0.1 CC(=O)O[Hg+] DB02176 [1,0,1,0,0,0|1,0,0]=3 35 B4R0.1 CCC(N)=O DB04161 [1,0,1,0,0,0|1,0,0]=3 36 B4R0.1 CC[C@@H](C)O DB02606 [1,0,1,0,0,0|0,0,2]=4 37 B4R0.1 NCC(N)=O DB03636 [1,0,1,0,0,0|2,0,0]=4 38 B4R0.1 O=C(O)CBr DB02198 [1,0,1,0,0,0|1,0,0]=3 39 B4R0.1 O=CC(=O)O DB04343 [1,0,1,0,0,0|1,0,1]=4 40 B4R0.2 CCCCN DB03659 [1,0,1,0,0,0|1,0,1]=4 41 B4R0.2 CCCCO DB02145 [1,0,1,0,0,0|0,0,1]=3 42 B4R0.2 COCCO DB02806 [1,0,1,0,0,0|1,0,1]=4 43 B4R0.2 C\C=C\C=O DB04381 [1,0,1,0,0,0|0,0,2]=4 44 B4R0.2 O=CCC=O DB03057 [1,0,1,0,0,0|0,0,2]=4 45 B4R0.2 OCCCO DB02774 [1,0,1,0,0,0|0,0,1]=3 46 B4R0.2 [C-]#[N+]CCC DB04050 [1,0,1,0,0,0|1,0,1]=4 47 B6R0.1 CCNC(=O)OC DB03919 [0,1,1,0,0,0|1,0,0]=3 48 B6R0.1 CCOC(=O)NC DB02856 [0,1,1,0,0,0|0,0,0]=2 49 B6R0.2 CC(=O)CC(=O)O DB01762 [0,1,1,0,0,0|0,0,1]=3 50 B6R0.2 CC(C)CC(=O)O DB03750 [0,1,1,0,0,0|0,0,0]=2 51 B6R0.2 CN(C)CC(=O)O DB02083 [0,1,1,0,0,0|1,0,0]=3 52 B6R0.2 NC(=O)CC(=O)O DB02649 [0,1,1,0,0,0|1,0,1]=4 53 B6R0.2 O=C(O)CC(=O)O DB02175 [0,1,1,0,0,0|1,0,1]=4 54 B6R0.3 C#C[C@H](N)C(=O)O DB04217 [0,1,1,0,0,0|0,0,2]=4 55 B6R0.3 C=C(NC)C(=O)O DB03920 [0,1,1,0,0,0|1,0,1]=4 56 B6R0.3 C=C[C@H](N)C(=O)O DB03214 [0,1,1,0,0,0|0,0,2]=4 57 B6R0.3 CCC(=O)C(=O)O DB04553 [0,1,1,0,0,0|0,0,1]=3 58 B6R0.3 CC[C@@H](C)C(=O)O DB03741 [0,1,1,0,0,0|0,0,0]=2 59 B6R0.3 CC[C@@H](N)C(=O)O DB04454 [0,1,1,0,0,0|0,0,0]=2 60 B6R0.3 C[C@H](CN)C(=O)[O-] DB03432 [0,1,1,0,0,0|1,0,1]=4 61 B6R0.3 C\C=C(/N)C(=O)O DB03720 [0,1,1,0,0,0|0,0,2]=4 62 B6R0.3 N[C@@H](C[NH3+])C(=O)O DB03320 [0,1,1,0,0,0|1,0,0]=3 63 B6R0.3 N[C@@H](C[SeH])C(=O)O DB02345 [0,1,1,0,0,0|1,0,0]=3 64 B6R0.3 N[C@H](CO)C(=O)O DB03929 [0,1,1,0,0,0|1,0,0]=3 65 B6R0.3 N[C@H](CS)C(=O)O DB03201 [0,1,1,0,0,0|1,0,0]=3 66 B6R0.3 O=C(O)C(=O)CO DB02951 [0,1,1,0,0,0|1,0,1]=4 67 B6R0.3 [C@H](N)(CS)C(=N)O DB03275 [0,1,1,0,0,0|2,0,0]=4 68 B6R0.3 [NH3+][C@H](CCl)C(=O)[O-] DB01735 [0,1,1,0,0,0|1,0,1]=4 69 B6R0.4 CCCCB(O)O DB02664 [0,1,1,0,0,0|1,0,1]=4 70 B6R0.4 CCCCC(=O)O DB02406 [0,1,1,0,0,0|0,0,0]=2 71 B6R0.4 CCCOC(C)=O DB01670 [0,1,1,0,0,0|0,0,0]=2 72 B6R0.5 CCOP(=O)(O)O DB03822 [0,1,1,0,0,0|2,0,0]=4 73 B6R0.6 O=CCCCC=O DB03266 [0,1,1,0,0,0|0,0,1]=3 74 B8R1.2 O=CN1CCCCC1 DB04113 [0,1,0,0,0,1|2,0,0]=4 75 B8R1.4 C[C@H]1CC=CC(=O)O1 DB14121 [0,1,0,0,0,1|0,0,1]=3 76 B8R1.4 O=C1CCNC(=O)N1 DB01849 [0,1,0,0,0,1|1,0,1]=4 77 B8R1.1 [C@@H]1(C=O)CCC(O)=N1 DB03901 [0,2,0,0,0,0|1,0,1]=4 78 B8R1.7 O=C(O)[C@H]1CCCN1 DB02853 [0,2,0,0,0,0|1,0,1]=4 79 B8R1.7 O=C(O)[C@H]1CCCO1 DB03051 [0,2,0,0,0,0|0,0,1]=3 80 B8R1.7 O=C([O-])C1=[NH+]CCC1 DB02838 [0,2,0,0,0,0|1,0,0]=3 81 B8R1.18 [C@H]1(N)CC(O)=NC1=O DB03487 [0,2,0,0,0,0|1,0,1]=4 82 B6R1.1 C1CCOCC1 DB02412 [0,0,1,1,0,0|1,0,1]=4