0 B5R0.2 C=CCCCO HY-W010639 [0,0,0,0,0,0|3,0,0]=3 1 B4R0.2 CCCNC HY-W250110E [1,0,0,0,0,0|1,0,1]=3 2 B4R0.2 CCCNC HY-W250110I [1,0,0,0,0,0|1,0,1]=3 3 B4R0.2 O=COO[Na] HY-ER013B [1,0,0,0,0,0|2,1,0]=4 4 B4R0.2 [Li]OOC=O HY-Y0292 [1,0,0,0,0,0|2,1,0]=4 5 B6R0.1 C\C=N\N(C)C=O HY-W762013 [0,1,0,0,0,0|3,0,0]=4 6 B6R0.4 C#CCCC(=O)O HY-Y1230 [0,1,0,0,0,0|1,0,1]=3 7 B6R1.2 [C@H]1(F)CCNC1 HY-W004695 [0,0,0,1,0,0|2,0,1]=4 8 B3R0.1 NCCS HY-77591R [2,0,0,0,0,0|1,0,0]=3 9 B3R0.1 N[13CH2][13CH2]O HY-W035903S [2,0,0,0,0,0|1,0,1]=4 10 B3R0.1 O=CO[Na] HY-W088065 [2,0,0,0,0,0|1,1,0]=4 11 B3R0.1 O=[13CH]O[Na] HY-W088065S [2,0,0,0,0,0|1,1,0]=4 12 B3R0.1 OCCO HY-Y0873 [2,0,0,0,0,0|0,1,1]=4 13 B3R0.1 OCCO HY-Y0873A3 [2,0,0,0,0,0|0,1,1]=4 14 B3R0.1 [13CH](=O)[13CH2]O HY-W779008 [2,0,0,0,0,0|0,1,0]=3 15 B5R0.1 CNCC(=O)O HY-W012791 [1,1,0,0,0,0|1,0,0]=3 16 B5R0.1 C\C=C\C(C)=O HY-34748 [1,1,0,0,0,0|0,0,2]=4 17 B5R0.1 NOCC(=O)O HY-107994A [1,1,0,0,0,0|1,1,0]=4 18 B5R0.1 [15NH2]CCC(=O)O HY-N0230S1 [1,1,0,0,0,0|1,0,0]=3 19 B5R0.3 CCC(O)CC HY-W087988 [1,1,0,0,0,0|1,0,1]=4 20 B5R0.3 CC[C@H](C)CO HY-W093104 [1,1,0,0,0,0|0,0,2]=4 21 B5R0.3 OCC(O)CS HY-W010572 [1,1,0,0,0,0|0,0,2]=4 22 B7R0.2 NC[C@H](O)CC(=O)O HY-W005749 [0,2,0,0,0,0|2,0,0]=4 23 B7R0.2 N[C@H](CO)CC(=O)O HY-W040432 [0,2,0,0,0,0|2,0,0]=4 24 B7R0.2 O=C([O-])C[C@H](O)CO HY-113304A [0,2,0,0,0,0|2,0,0]=4 25 B7R0.3 C#CCCC(=O)O[Na] HY-15286 [0,2,0,0,0,0|1,0,1]=4 26 B7R0.3 CCC(=O)OCOC HY-41616 [0,2,0,0,0,0|1,1,0]=4 27 B7R0.3 CCCCC(=O)O[Na] HY-W007087 [0,2,0,0,0,0|1,0,0]=3 28 B7R0.5 C=CC[C@H](N)C(=O)O HY-W012906 [0,2,0,0,0,0|1,0,1]=4 29 B7R0.5 COCC(N)C(=O)O HY-W012871 [0,2,0,0,0,0|0,1,0]=3 30 B7R0.5 N[C@H](CCS)C(=O)O HY-77801 [0,2,0,0,0,0|2,0,0]=4 31 B7R0.10 O=C[C@H](O)[C@H](O)[13CH2]O HY-116956S3 [0,2,0,0,0,0|2,0,0]=4 32 B7R0.4 NCCNCC(=O)O HY-W012883 [0,2,0,0,0,0|2,0,0]=4 33 B7R0.4 O=C(O)COCCO HY-W591338A [0,2,0,0,0,0|2,0,0]=4 34 B7R0.4 O=C(O)COCCO HY-W591338B [0,2,0,0,0,0|2,0,0]=4 35 B7R0.4 O=C(O)COCCS HY-140728 [0,2,0,0,0,0|2,0,0]=4 36 B7R0.6 C[S+](C)CCC(=O)O HY-W105506 [0,2,0,0,0,0|0,0,1]=3 37 B7R0.6 O=[13C](O)[13CH2][13CH2][13C](=O)O HY-N0420S2 [0,2,0,0,0,0|2,0,0]=4 38 B7R0.1 C=CCCCCCO HY-W127475 [0,2,0,0,0,0|2,0,0]=4 39 B5R1.1 C1CSCN1 HY-I0144 [1,0,0,1,0,0|1,0,0]=3 40 B5R1.2 C[C@H]1CCN1 HY-35279 [1,0,0,1,0,0|1,0,1]=4 41 B7R1.1 O=CN1CCCC1 HY-W102648 [0,1,0,1,0,0|1,0,0]=3 42 B7R1.1 O=NN1CCCC1 HY-W141077 [0,1,0,1,0,0|2,0,0]=4 43 B7R1.2 O=C1CCC(=O)[15NH]1 HY-41877S [0,1,0,1,0,0|2,0,0]=4 44 B7R1.3 CC1=CCCCC1 HY-W004338 [0,1,0,1,0,0|2,0,0]=4 45 B7R1.4 CC1OCCC1=O HY-W010608 [0,1,0,1,0,0|0,1,0]=3 46 B7R1.4 NN1CCOC1=O HY-W012982 [0,1,0,1,0,0|2,0,0]=4