0 B12R1.43 C\C([N+]([O-])=O)=C\C1=CC=CC=C1 BCP10792 [0,0,0,0,0,0|2,0,2]=4 1 B12R1.43 N[C](CC1=CC=CC=C1)C(O)=O BCP16807 [0,0,0,0,0,0|1,0,1]=2 2 B11R1.40 OC[C@@H](N)CC1=CC=CC=C1 BCP17030 [1,0,0,0,0,0|1,0,2]=4 3 B11R1.91 [O-][N+](\C=C\C1=CC=CC=C1)=O BCP12490 [1,0,0,0,0,0|1,0,2]=4 4 B13R1.133 C[C@@H](OC1=CC=C(O)C=C1)C(O)=O BCP14311 [0,1,0,0,0,0|2,0,1]=4 5 B13R1.133 N[C@@H](CC1=CC=C(C)C=C1)C(O)=O BCP11552 [0,1,0,0,0,0|1,0,1]=3 6 B13R1.133 N[C](CC1=CC=C(Br)C=C1)C(O)=O BCP17905 [0,1,0,0,0,0|1,0,1]=3 7 B13R1.133 N[C](CC1=CC=C(N)C=C1)C(O)=O BCP11627 [0,1,0,0,0,0|1,0,1]=3 8 B13R1.133 O=C(O)[C](N)CC1=CC=C(F)C=C1 BCP11609 [0,1,0,0,0,0|1,0,1]=3 9 B13R1.133 O=C(O)\C(S)=C\C1=CC=C(I)C=C1 BCP17762 [0,1,0,0,0,0|0,1,1]=3 10 B13R1.133 OC([C@@H](N)CC1=CC=C(O)C=C1)=O BCP06988 [0,1,0,0,0,0|1,0,1]=3 11 B13R1.135 N[C@@H](CC1=CC=CC=C1)C(OC)=O BCP12913 [0,1,0,0,0,0|1,0,1]=3 12 B13R1.148 N[C@@H](CC1=CC=CC(C)=C1)C(O)=O BCP11706 [0,1,0,0,0,0|1,0,1]=3 13 B13R1.148 O=C(O)[C](N)CC1=CC=CC(Cl)=C1 BCP11546 [0,1,0,0,0,0|1,0,1]=3 14 B13R1.152 O=C(O)[C](O)[C@@H](N)C1=CC=CC=C1 BCP22941 [0,1,0,0,0,0|0,0,2]=3 15 B13R2.369 NC1=CC=2C=CC=CC2OC1=O BCP20024 [0,0,0,1,0,0|1,0,1]=3 16 B13R2.373 O=C1N[C@@H](C2=CC=CC=C2)[C]1O BCP13724 [0,0,0,1,0,0|1,0,2]=4 17 B13R2.423 O=C([C]1[C](C2=CC=CC=C2)C1)O BCP15494 [0,0,0,1,0,0|1,0,2]=4 18 B13R2.435 CC(C1=NC=2C=CC=CC2S1)=O BCP18676 [0,0,0,1,0,0|2,1,0]=4 19 B13R2.435 OC(C1=CC=2C=CC=CC2N1)=O BCP00082 [0,0,0,1,0,0|1,0,1]=3 20 B13R2.435 OC(C1=CN2C(C=CC=C2)=N1)=O BCP00633 [0,0,0,1,0,0|2,0,1]=4 21 B11R1.35 N[C](C(O)=O)CC1=CC=CS1 BCP11711 [0,0,0,0,1,0|2,0,1]=4 22 B11R1.36 C1=C(C(C(O)=O)C)C=CC=C1 BCP16764 [0,0,0,0,1,0|1,0,1]=3 23 B11R1.36 C=C(C(O)=O)C1=CC=CC=C1 BCP01226 [0,0,0,0,1,0|1,0,0]=2 24 B11R1.36 C[C](c1ccccc1)C(=O)O BCP14307 [0,0,0,0,1,0|1,0,1]=3 25 B13R1.351 O=C(O)[C](N)CCC1=CC=CC=C1 BCP11593 [0,0,0,0,0,1|1,0,1]=3 26 B10R1.18 C1=NC=CC=C1CC(O)=O BCP20278 [2,0,0,0,0,0|1,0,0]=3 27 B10R1.18 CC(=O)Cc1ccncc1 BCP13413 [2,0,0,0,0,0|1,0,1]=4 28 B10R1.18 CC(NC1=CC=CC=C1)=O BCP02363 [2,0,0,0,0,0|1,0,1]=4 29 B10R1.18 NC(CC1=CC=CC=C1)=O BCP10408 [2,0,0,0,0,0|1,0,0]=3 30 B10R1.18 O=C(Cl)OC1=CC=CC=C1 BCP14449 [2,0,0,0,0,0|2,0,0]=4 31 B10R1.18 OC(=O)Cc1ccncc1 BCP05255 [2,0,0,0,0,0|1,0,0]=3 32 B12R1.49 BrC1=CC=C(CC(OC)=O)C=C1 BCP16335 [1,1,0,0,0,0|2,0,0]=4 33 B12R1.49 O=C(OC)CC1=CC=C(Cl)C=C1 BCP11098 [1,1,0,0,0,0|2,0,0]=4 34 B12R1.371 COC(=O)CC1=C(O)C=CC=C1 BCP17205 [1,1,0,0,0,0|2,0,0]=4 35 B12R1.21 O=C(O)\C=C\C1=CC=C(N)N=C1 BCP19200 [1,1,0,0,0,0|1,0,1]=4 36 B12R1.27 O=C(CCC1=CC=CC=C1)CBr BCP00253 [1,1,0,0,0,0|1,0,1]=4 37 B12R1.27 O=C(OCC1=CC=CC=C1)CO BCP10145 [1,1,0,0,0,0|1,0,0]=3 38 B12R1.107 N[C@@H](CC(O)=O)C1=CC=CC=C1 BCP13904 [1,1,0,0,0,0|0,0,1]=3 39 B12R1.107 N[C](c1ccccc1)CC(=O)O BCP12759 [1,1,0,0,0,0|0,0,2]=4 40 B12R1.226 BrC1=CC(CCC(O)=O)=CC=C1 BCP15306 [1,1,0,0,0,0|0,0,1]=3 41 B12R1.226 C1=C(C=CC=C1CCC(O)=O)Cl BCP04483 [1,1,0,0,0,0|0,0,1]=3 42 B12R1.20 O=C(O)C(Br)C1=CC=C(Cl)C=C1 BCP05934 [0,1,0,0,1,0|1,0,1]=4 43 B12R1.225 ClC1=CC([C@@H](C(O)=O)N)=CC=C1 BCP19868 [0,1,0,0,1,0|1,0,1]=4 44 B12R1.225 ClC1=CC([C](C(O)=O)N)=CC=C1 BCP19872 [0,1,0,0,1,0|1,0,1]=4 45 B12R1.225 ClC1=CC([C](C(O)=O)N)=CC=C1 BCP19873 [0,1,0,0,1,0|1,0,1]=4 46 B14R1.337 CC1=CC=CC=C1C[C@@H](N)CC(O)=O BCP11563 [0,1,0,0,0,1|1,0,1]=4 47 B14R1.425 OC(C(O)C(N)CC1=CC=CC=C1)=O BCP05826 [0,1,0,0,0,1|1,0,1]=4 48 B14R1.698 N[C@@H](CC(O)=O)CC1=CC=C(I)C=C1 BCP11623 [0,1,0,0,0,1|1,0,1]=4 49 B14R1.5978 N[C](CC(O)=O)CC1=CC=CC(Cl)=C1 BCP28403 [0,1,0,0,0,1|1,0,1]=4 50 B14R1.3 O=C(O)[C@@H](N)CC1=CC=C(OC)C=C1 BCP11543 [0,2,0,0,0,0|1,0,1]=4 51 B14R1.3 O=C(O)[C](N)CC1=CC=C(C#N)C=C1 BCP11023 [0,2,0,0,0,0|1,0,1]=4 52 B14R1.686 C1=CC(=C(C=C1C[C](C(=O)O)N)Cl)Cl BCP11606 [0,2,0,0,0,0|1,0,1]=4 53 B14R1.686 OC([C@@H](N)CC1=CC(F)=C(F)C=C1)=O BCP11620 [0,2,0,0,0,0|1,0,1]=4 54 B14R1.6049 FC1=CC(F)=CC=C1C[C](N)C(O)=O BCP10482 [0,2,0,0,0,0|1,0,1]=4 55 B14R1.1031 O=C(OC)[C@@H](NC)CC1=CC=CC=C1 BCP11561 [0,2,0,0,0,0|1,0,1]=4 56 B14R1.75 N[C@@H](CC1=CC=CC(C#N)=C1)C(O)=O BCP11573 [0,2,0,0,0,0|1,0,1]=4 57 B14R1.4257 N[C@@H](CC1=CC(F)=CC(F)=C1)C(O)=O BCP11545 [0,2,0,0,0,0|1,0,1]=4 58 B14R1.4474 O=C(O)[C](N)CC1=CC(Cl)=CC=C1Cl BCP11591 [0,2,0,0,0,0|1,0,1]=4 59 B12R2.18 O=C1NC2=C(C=CC=C2)C1=O BCP15996 [1,0,0,1,0,0|1,0,0]=3 60 B12R2.22 O=C1CC(C1)C2=CC=CC=C2 BCP20138 [1,0,0,1,0,0|1,0,1]=4 61 B14R2.19 O=C1OC[C](CC2=CC=CC=C2)N1 BCP11649 [0,0,0,1,0,1|1,0,1]=4 62 B14R2.781 O=C(C1=CC2=CC=CC=C2C=N1)O BCP05776 [0,0,0,1,0,1|1,0,1]=4 63 B14R2.781 OC([C@@H]1OC2=CC=CC=C2OC1)=O BCP15476 [0,0,0,1,0,1|0,0,2]=4 64 B14R2.4529 BrC1=CC=C2C=C(C(O)=O)NC2=C1 BCP01428 [0,1,0,1,0,0|1,0,1]=4 65 B14R2.4529 NC1=CC=C2C(C=C(C(O)=O)O2)=C1 BCP01669 [0,1,0,1,0,0|0,0,2]=4 66 B14R2.4529 O=C(C=1NC2=C(C1)C=C(C=C2)Cl)O BCP15099 [0,1,0,1,0,0|1,0,1]=4 67 B14R2.4529 OC(=O)C1=CC2=C(O1)C=CC(O)=C2 BCP18487 [0,1,0,1,0,0|0,0,2]=4 68 B14R2.7969 O=C(C1=CC2=C(Cl)C=CC=C2S1)O BCP12371 [0,1,0,1,0,0|0,1,1]=4 69 B14R2.7969 OC(=O)C1=NC2=C(S1)C=CC=C2F BCP00114 [0,1,0,1,0,0|1,1,0]=4 70 B14R2.450 C1=CC2=C(C=C1)NC(=C2Br)C(=O)O BCP11466 [0,1,0,1,0,0|1,0,1]=4 71 B10R1.66 O=C(O)CCC1=CSC=C1 BCP20489 [1,0,0,0,1,0|1,0,1]=4 72 B10R1.23 OC(=O)C(=O)C1=CC=CO1 BCP12669 [0,0,0,0,2,0|1,0,0]=3 73 B12R1.252 O=C(O)CCCC1=CC=CC=C1 BCP10715 [1,0,0,0,0,1|0,0,1]=3 74 B12R1.260 O=S(CC1=CC=CO1)CC(O)=O BCP10540 [0,0,0,0,1,1|2,0,0]=4