0 B5R0.3 O=C[C@H](O)CO DB02536 [0,0,0,0,0,0|2,0,2]=4 1 B4R0.1 C=C(Br)CO DB04320 [1,0,0,0,0,0|1,0,2]=4 2 B4R0.1 C=CC(=O)O DB02579 [1,0,0,0,0,0|1,0,1]=3 3 B4R0.1 CC(=O)C=O DB03587 [1,0,0,0,0,0|1,0,0]=2 4 B4R0.1 CC(=O)O[Hg+] DB02176 [1,0,0,0,0,0|2,0,0]=3 5 B4R0.1 CCC(N)=O DB04161 [1,0,0,0,0,0|1,0,1]=3 6 B4R0.1 CC[C@@H](C)O DB02606 [1,0,0,0,0,0|0,0,3]=4 7 B4R0.1 CN(C)C=O DB01844 [1,0,0,0,0,0|1,0,0]=2 8 B4R0.1 C[C@H](O)C=O DB03776 [1,0,0,0,0,0|1,0,1]=3 9 B4R0.1 NCC(N)=O DB03636 [1,0,0,0,0,0|2,0,1]=4 10 B4R0.1 O=C(O)CBr DB02198 [1,0,0,0,0,0|2,0,1]=4 11 B4R0.1 O=CC(=O)O DB04343 [1,0,0,0,0,0|2,0,0]=3 12 B4R0.2 C\C=C\C=O DB04381 [1,0,0,0,0,0|0,0,0]=1 13 B4R0.2 O=CCC=O DB03057 [1,0,0,0,0,0|1,0,1]=3 14 B6R0.3 C=C(NC)C(=O)O DB03920 [0,1,0,0,0,0|1,0,1]=3 15 B6R0.3 C=C[C@@H]([NH3+])C(=O)[O-] DB01804 [0,1,0,0,0,0|1,0,2]=4 16 B6R0.3 C=C[C@H](N)C(=O)O DB03214 [0,1,0,0,0,0|1,0,2]=4 17 B6R0.3 CCC(=O)C(=O)O DB04553 [0,1,0,0,0,0|1,0,1]=3 18 B6R0.3 CC[C@@H](C)C(=O)O DB03741 [0,1,0,0,0,0|0,0,2]=3 19 B6R0.3 CC[C@@H](N)C(=O)O DB04454 [0,1,0,0,0,0|1,0,2]=4 20 B6R0.3 C[C@H](CN)C(=O)[O-] DB03432 [0,1,0,0,0,0|1,0,2]=4 21 B6R0.3 C\C=C(/N)C(=O)O DB03720 [0,1,0,0,0,0|1,0,0]=2 22 B6R0.3 O=C(O)C(=O)CO DB02951 [0,1,0,0,0,0|2,0,1]=4 23 B6R1.2 CC1=CN=CN1 DB03385 [0,0,0,1,0,0|2,0,1]=4 24 B6R1.2 CC1=CNC=C1 DB01932 [0,0,0,1,0,0|1,0,1]=3 25 B6R1.2 CN1C=C[NH+]=C1 DB02671 [0,0,0,1,0,0|2,0,1]=4 26 B6R1.2 IC1=CNN=C1 DB02721 [0,0,0,1,0,0|3,0,0]=4 27 B3R0.1 C(N)=CS DB01968 [2,0,0,0,0,0|1,1,0]=4 28 B3R0.1 CCN=O DB02646 [2,0,0,0,0,0|1,0,1]=4 29 B3R0.1 CCNC DB02396 [2,0,0,0,0,0|1,0,1]=4 30 B3R0.2 CC(N)=O DB02736 [2,0,0,0,0,0|1,0,0]=3 31 B3R0.2 C[P@@H](=O)[O-] DB02825 [2,0,0,0,0,0|2,0,0]=4 32 B3R0.2 C[P@H](=O)O DB02845 [2,0,0,0,0,0|2,0,0]=4 33 B3R0.2 NC(=O)O DB04261 [2,0,0,0,0,0|2,0,0]=4 34 B3R0.2 O=C([O-])[O-] DB13322 [2,0,0,0,0,0|2,0,0]=4 35 B5R0.1 C=C(Br)CCO DB04592 [1,1,0,0,0,0|1,0,1]=4 36 B5R0.1 CC(=O)CCO DB04094 [1,1,0,0,0,0|0,0,1]=3 37 B5R0.1 CCCC(=O)O DB03568 [1,1,0,0,0,0|1,0,1]=4 38 B5R0.1 CCCC(N)=O DB02121 [1,1,0,0,0,0|1,0,1]=4 39 B5R0.1 CSCC(=O)[O-] DB03517 [1,1,0,0,0,0|1,0,1]=4 40 B5R0.1 CSC[S@](C)=O DB02311 [1,1,0,0,0,0|1,0,1]=4 41 B5R0.1 C[Se]CC(=O)[O-] DB03098 [1,1,0,0,0,0|1,0,1]=4 42 B5R0.1 C[Te]CC(=O)[O-] DB01918 [1,1,0,0,0,0|1,0,1]=4 43 B5R0.1 C\C=C\C(=O)O DB02074 [1,1,0,0,0,0|1,0,0]=3 44 B5R0.1 NCCC(=O)O DB03107 [1,1,0,0,0,0|1,0,1]=4 45 B5R0.1 O=C(O)CCO DB03688 [1,1,0,0,0,0|1,0,1]=4 46 B5R0.5 C=C(N)C(=O)O DB02688 [1,1,0,0,0,0|1,0,0]=3 47 B5R0.5 C=C(N)C(N)=O DB02002 [1,1,0,0,0,0|1,0,0]=3 48 B5R0.5 CC(=O)C(N)=O DB03578 [1,1,0,0,0,0|1,0,0]=3 49 B5R0.5 CC(=O)[C@@H](C)O DB04364 [1,1,0,0,0,0|0,0,1]=3 50 B5R0.5 CC(=O)[C@H](C)O DB02788 [1,1,0,0,0,0|0,0,1]=3 51 B5R0.5 CC(=[NH2+])C(=O)[O-] DB04212 [1,1,0,0,0,0|1,0,0]=3 52 B5R0.5 CC(C)C(=O)O DB02531 [1,1,0,0,0,0|0,0,1]=3 53 B5R0.5 C[C@@H](N)C(=O)O DB01786 [1,1,0,0,0,0|1,0,1]=4 54 B5R0.5 C[C@@H](O)C(=O)O DB03066 [1,1,0,0,0,0|1,0,1]=4 55 B5R0.5 NC(=O)C(=O)O DB03940 [1,1,0,0,0,0|2,0,0]=4 56 B5R0.5 O=C(O)C(=O)O DB03902 [1,1,0,0,0,0|2,0,0]=4 57 B5R0.2 CCCCC=O DB01919 [1,1,0,0,0,0|0,0,2]=4 58 B7R0.5 C(C)=CC(=O)C(=O)O DB02005 [0,2,0,0,0,0|1,0,0]=3 59 B7R0.13 CC[C@@](C)(N)C(=O)O DB04171 [0,2,0,0,0,0|0,0,2]=4 60 B7R0.15 C\C=C(/NC)C(=O)O DB04225 [0,2,0,0,0,0|0,0,0]=2 61 B7R0.16 CC(=O)[C@H](N)C(=O)O DB03915 [0,2,0,0,0,0|1,0,1]=4 62 B7R0.16 CC(C(=O)O)C(=O)O DB04183 [0,2,0,0,0,0|1,0,1]=4 63 B7R0.16 CC(C)C(=O)C(=O)O DB04074 [0,2,0,0,0,0|1,0,1]=4 64 B7R0.16 O=C(O)C(=O)C(=O)O DB03589 [0,2,0,0,0,0|2,0,0]=4 65 B7R0.16 [C@H](C)(C(=O)O)N(C)C DB02167 [0,2,0,0,0,0|1,0,1]=4 66 B5R1.1 C1=CNN=C1 DB02757 [1,0,0,1,0,0|2,0,0]=4 67 B7R1.3 CC1=CC=CN=C1 DB01996 [0,1,0,1,0,0|1,0,1]=4 68 B7R1.4 CC1=[NH+]C=CN1C DB03789 [0,1,0,1,0,0|2,0,0]=4