0 B10R1.113 C[N+]1=CC=CC(C(N)=O)=C1 1005-24-9 [0,0,0,0,0,0|3,0,0]=3 1 B10R1.113 C[n+]1cccc(C(=O)O)c1 6138-41-6 [0,0,0,0,0,0|2,0,0]=2 2 B10R1.113 O=C(O)C1=CC(O)=CC=C1 99-06-9 [0,0,0,0,0,0|0,0,0]=0 3 B9R1.2 O=Cc1cccc(O)c1 100-83-4 [1,0,0,0,0,0|0,0,0]=1 4 B9R1.2 OCC1=CC=CC(O)=C1 620-24-6 [1,0,0,0,0,0|0,0,1]=2 5 B9R1.6 C[C@H](O)c1ccccc1 1445-91-6 [1,0,0,0,0,0|1,0,1]=3 6 B9R1.6 NC(=O)C1=CN=CC=C1 98-92-0 [1,0,0,0,0,0|2,0,0]=3 7 B9R1.6 O=C(O)C1=CC=CC=N1 98-98-6 [1,0,0,0,0,0|1,0,0]=2 8 B9R1.6 O=C(O)c1ccccc1 65-85-0 [1,0,0,0,0,0|0,0,0]=1 9 B9R1.6 O=C(O)c1cccnc1 59-67-6 [1,0,0,0,0,0|1,0,0]=2 10 B11R1.21 CC1=CC(C(=O)O)=CC=C1O 499-76-3 [0,1,0,0,0,0|1,0,0]=2 11 B11R1.21 Nc1cc(C(=O)O)ccc1O 1571-72-8 [0,1,0,0,0,0|1,0,0]=2 12 B11R1.74 O=C1C=C(C(=O)O)NC(=O)N1 50887-69-9 [0,1,0,0,0,0|2,0,1]=4 13 B11R1.159 NC1=C(O)C=CC=C1C(=O)O 548-93-6 [0,1,0,0,0,0|0,0,0]=1 14 B11R1.159 O=C(O)C1=C(O)C(O)=CC=C1 303-38-8 [0,1,0,0,0,0|0,0,0]=1 15 B11R1.167 O=C(O)c1cc(O)ccc1O 490-79-9 [0,1,0,0,0,0|0,0,0]=1 16 B9R0.55 O=C(O)C\C=C\CC(=O)O 4436-74-2 [0,0,1,0,0,0|1,0,2]=4 17 B11R1.157 O=C(O)CC1=CC(O)=CC=C1 621-37-4 [0,0,0,0,0,1|0,0,0]=1 18 B8R0.23 C=C(CC(=O)O)C(=O)O 97-65-4 [1,0,1,0,0,0|1,0,1]=4 19 B8R0.23 C\C(=C\C(=O)O)C(=O)O 498-23-7 [1,0,1,0,0,0|1,0,1]=4 20 B8R1.2 NCC1=CC=CC=C1 100-46-9 [2,0,0,0,0,0|1,0,1]=4 21 B8R1.2 O=CC1=CC=CC=C1 100-52-7 [2,0,0,0,0,0|0,0,0]=2 22 B8R1.2 OCC1=CC=CC=C1 100-51-6 [2,0,0,0,0,0|0,0,1]=3 23 B8R1.4 Oc1cccc(O)n1 10357-84-3 [2,0,0,0,0,0|1,0,0]=3 24 B10R1.13 Nc1ccc(C(=O)O)cc1 150-13-0 [1,1,0,0,0,0|0,0,0]=2 25 B10R1.13 O=C(O)C1=CC=C(O)C=C1 99-96-7 [1,1,0,0,0,0|0,0,0]=2 26 B10R1.13 O=C(O)C1=CN=C(O)C=C1 5006-66-6 [1,1,0,0,0,0|1,0,0]=3 27 B10R1.13 O=[N+]([O-])C1=CC=C(O)C=C1 100-02-7 [1,1,0,0,0,0|1,0,1]=4 28 B10R1.15 CNC(=O)C1=CN=CC=C1 114-33-0 [1,1,0,0,0,0|2,0,0]=4 29 B10R1.15 NCC(O)C1=CC=CC=C1 7568-93-6 [1,1,0,0,0,0|1,0,1]=4 30 B10R1.61 NC(=O)C1=CC=CC=C1O 65-45-2 [1,1,0,0,0,0|1,0,0]=3 31 B10R1.61 O=C(O)c1ccccc1O 69-72-7 [1,1,0,0,0,0|0,0,0]=2 32 B10R1.31 O=C(O)C1=CC=C(CO)O1 6338-41-6 [0,1,0,0,1,0|1,0,0]=3 33 B12R1.19 O=C(O)CC1=CC(O)=C(O)C=C1 102-32-9 [0,1,0,0,0,1|0,0,0]=2 34 B12R1.127 O=C(O)CC1=C(O)C=CC(O)=C1 451-13-8 [0,1,0,0,0,1|0,0,0]=2 35 B12R1.367 NC[C@H](O)c1ccc(O)c(O)c1 51-41-2 [0,2,0,0,0,0|1,0,1]=4 36 B12R1.17 CNC[C@H](O)c1cccc(O)c1 61-76-7 [0,2,0,0,0,0|1,0,1]=4 37 B10R1.66 O=C(O)\C=C\C1=CNC=N1 104-98-3 [0,0,1,1,0,0|2,0,0]=4 38 B8R1.7 O=C(O)C1=CC=CN1 634-97-9 [1,0,0,0,1,0|1,0,0]=3 39 B8R1.7 O=C(O)C1=COC=C1 488-93-7 [1,0,0,0,1,0|1,0,0]=3 40 B10R1.18 CC(=O)Oc1ccccc1 122-79-2 [1,0,0,0,0,1|1,0,0]=3 41 B10R1.18 O=C(O)CC1=CC=CC=C1 103-82-2 [1,0,0,0,0,1|0,0,0]=2