0 B10R1.13 CN(C)c1ccc(N)cc1 99-98-9 [0,0,0,0,0,0|4,0,0]=4 1 B10R1.13 Nc1ccc(C(=O)O)cc1 150-13-0 [0,0,0,0,0,0|1,0,0]=1 2 B10R1.13 O=C(O)C1=CC=C(O)C=C1 99-96-7 [0,0,0,0,0,0|0,0,0]=0 3 B10R1.13 O=C(O)C1=CN=C(O)C=C1 5006-66-6 [0,0,0,0,0,0|1,0,0]=1 4 B10R1.13 O=[N+]([O-])C1=CC=C(O)C=C1 100-02-7 [0,0,0,0,0,0|1,0,1]=2 5 B9R1.1 O=CC1=CC=C(O)C=C1 123-08-0 [1,0,0,0,0,0|0,0,0]=1 6 B9R1.6 C[C@H](O)c1ccccc1 1445-91-6 [1,0,0,0,0,0|1,0,1]=3 7 B9R1.6 NC(=O)C1=CN=CC=C1 98-92-0 [1,0,0,0,0,0|2,0,0]=3 8 B9R1.6 O=C(O)C1=CC=CC=N1 98-98-6 [1,0,0,0,0,0|1,0,0]=2 9 B9R1.6 O=C(O)c1ccccc1 65-85-0 [1,0,0,0,0,0|0,0,0]=1 10 B9R1.6 O=C(O)c1cccnc1 59-67-6 [1,0,0,0,0,0|1,0,0]=2 11 B11R1.21 CC1=CC(C(=O)O)=CC=C1O 499-76-3 [0,1,0,0,0,0|0,0,0]=1 12 B11R1.21 Nc1cc(C(=O)O)ccc1O 1571-72-8 [0,1,0,0,0,0|0,0,0]=1 13 B11R1.22 NCC(O)c1ccc(O)cc1 770-05-8 [0,1,0,0,0,0|1,0,1]=3 14 B11R1.166 CC(=O)C1=C(O)C=C(O)C=C1 89-84-9 [0,1,0,0,0,0|1,0,0]=2 15 B11R1.166 O=C(O)c1cnc(O)nc1O 23945-44-0 [0,1,0,0,0,0|2,0,0]=3 16 B11R1.20 O=C(O)Cc1ccc(O)cc1 156-38-7 [0,0,0,0,0,1|0,0,0]=1 17 B8R1.2 NCC1=CC=CC=C1 100-46-9 [2,0,0,0,0,0|1,0,1]=4 18 B8R1.2 O=CC1=CC=CC=C1 100-52-7 [2,0,0,0,0,0|0,0,0]=2 19 B8R1.2 OCC1=CC=CC=C1 100-51-6 [2,0,0,0,0,0|0,0,1]=3 20 B8R1.3 CC1=CC=C(O)C=C1 106-44-5 [2,0,0,0,0,0|0,0,1]=3 21 B8R1.3 OC1=CC=C(O)C=C1 123-31-9 [2,0,0,0,0,0|0,0,0]=2 22 B10R1.1 NCCc1ccc(O)cc1 51-67-2 [1,1,0,0,0,0|1,0,1]=4 23 B10R1.15 CNC(=O)C1=CN=CC=C1 114-33-0 [1,1,0,0,0,0|2,0,0]=4 24 B10R1.15 NCC(O)C1=CC=CC=C1 7568-93-6 [1,1,0,0,0,0|1,0,1]=4 25 B10R1.61 NC(=O)C1=CC=CC=C1O 65-45-2 [1,1,0,0,0,0|1,0,0]=3 26 B10R1.61 O=C(O)c1ccccc1O 69-72-7 [1,1,0,0,0,0|0,0,0]=2 27 B10R1.113 C[N+]1=CC=CC(C(N)=O)=C1 1005-24-9 [1,1,0,0,0,0|2,0,0]=4 28 B10R1.113 C[n+]1cccc(C(=O)O)c1 6138-41-6 [1,1,0,0,0,0|1,0,0]=3 29 B10R1.113 O=C(O)C1=CC(O)=CC=C1 99-06-9 [1,1,0,0,0,0|0,0,0]=2 30 B10R1.31 O=C(O)C1=CC=C(CO)O1 6338-41-6 [0,1,0,0,1,0|1,0,0]=3 31 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 32 B12R1.20 N[C@H](C(=O)O)c1ccc(O)cc1 32462-30-9 [0,1,0,0,0,1|0,0,0]=2 33 B12R1.20 O=C(O)C(O)C1=CC=C(O)C=C1 1198-84-1 [0,1,0,0,0,1|0,0,0]=2 34 B12R1.367 NC[C@H](O)c1ccc(O)c(O)c1 51-41-2 [0,2,0,0,0,0|1,0,1]=4 35 B12R1.16 CNCC(O)c1ccc(O)cc1 94-07-5 [0,2,0,0,0,0|1,0,1]=4 36 B8R0.23 C=C(CC(=O)O)C(=O)O 97-65-4 [0,0,1,0,1,0|1,0,1]=4 37 B8R0.23 C\C(=C\C(=O)O)C(=O)O 498-23-7 [0,0,1,0,1,0|1,0,1]=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 42 B12R1.21 O=C(O)CCC1=CC=C(O)C=C1 501-97-3 [0,0,0,0,0,2|0,0,0]=2 43 B12R1.21 O=C(O)\C=C\c1ccc(O)cc1 501-98-4 [0,0,0,0,0,2|0,0,0]=2