0 B14R2.450 CC1=C(C(=O)O)NC2=CC=CC=C21 M15872 [1,0,0,0,0,0|0,0,1]=2 1 B14R2.450 CC1=C(C(=O)O)OC2=CC=CC=C21 M14783 [1,0,0,0,0,0|1,0,1]=3 2 B14R2.450 O=C(Cl)C1=C(Cl)C2=C(C=CC=C2)S1 C10337 [1,0,0,0,0,0|3,0,0]=4 3 B14R2.450 O=C(O)C1=C(Cl)C2=C(C=CC=C2)S1 C9577 [1,0,0,0,0,0|2,0,0]=3 4 B16R2.6151 CC(C)(C)C1=C(C=O)C2=C(C=CC=C2)N1 B9088 [0,1,0,0,0,0|2,0,1]=4 5 B16R2.6152 COC(=O)C1=C(C=O)C2=CC=CC=C2N1 M17833 [0,1,0,0,0,0|0,0,0]=1 6 B16R2.27456 CC(=O)N1C(C(=O)O)=CC2=CC=CC=C21 B3003 [0,1,0,0,0,0|2,0,0]=3 7 B16R2.27456 CC(=O)N1C2=CC=CC=C2C[C@H]1C(=O)O A15063 [0,1,0,0,0,0|2,0,1]=4 8 B16R3.3329 CC1=NC=CC2=C1NC3=C2C=CC=C3 H3311 [0,0,0,1,0,0|3,0,0]=4 9 B16R3.3329 O=C1NC=NC2=C1NC3=C2C=CC=C3 D15705 [0,0,0,1,0,0|3,0,0]=4 10 B13R1.90 O=CC1=C(\C=C\C(=O)O)C=CC=C1 F8060 [1,0,1,0,0,0|1,0,0]=3 11 B13R2.45 CC1=C(C=O)NC2=CC=CC=C21 M14941 [2,0,0,0,0,0|0,0,1]=3 12 B13R2.435 CC(=O)C1=CC2=CC=CC=C2S1 A17997 [2,0,0,0,0,0|2,0,0]=4 13 B13R2.435 CC(=O)C1=NC2=C(C=CC=C2)N1 A7495 [2,0,0,0,0,0|2,0,0]=4 14 B13R2.435 N=C(N)C1=CC2=CC=CC=C2N1 I16876 [2,0,0,0,0,0|2,0,0]=4 15 B13R2.435 O=C(Cl)C1=CC2=C(C=CC=C2)O1 B8234 [2,0,0,0,0,0|2,0,0]=4 16 B13R2.435 O=C(O)C1=CC2=C(C=CC=C2)S1 B8128 [2,0,0,0,0,0|1,0,0]=3 17 B13R2.435 O=C(O)C1=CC2=CC=CC=C2N1 I0452 [2,0,0,0,0,0|0,0,0]=2 18 B13R2.435 O=C(O)C1=CN2C=CC=CC2=N1 I15232 [2,0,0,0,0,0|1,0,1]=4 19 B13R2.435 O=C(O)C1=NC2=CC=CC=C2N1 B18340 [2,0,0,0,0,0|1,0,0]=3 20 B13R2.435 O=C(O)C1=NC2=CC=CC=C2O1 B16708 [2,0,0,0,0,0|1,0,1]=4 21 B13R2.435 O=C(O)C1CC2=C(C=CC=C2)N1 I7021 [2,0,0,0,0,0|0,0,2]=4 22 B13R2.435 O=C(O)[C@@H]1CC2=C(C=CC=C2)N1 I4785 [2,0,0,0,0,0|0,0,2]=4 23 B13R2.435 O=C(O)[C@H]1CC2=C(C=CC=C2)N1 I7230 [2,0,0,0,0,0|0,0,2]=4 24 B13R2.135 CC1=C(C=O)C2=CC=CC=C2N1 M0458 [2,0,0,0,0,0|0,0,1]=3 25 B15R1.5914 CC(=O)OC1=C(\C=C\C(=O)O)C=CC=C1 A18022 [0,1,1,0,0,0|2,0,0]=4 26 B15R2.1592 COC(=O)C1=C(Cl)C2=C(C=CC=C2)N1 C15623 [1,1,0,0,0,0|1,0,0]=3 27 B17R2.45126 O=C(O)C1=CC2=C(C=CC=C2)N=C1C(=O)O Q9795 [0,1,0,0,0,1|0,0,1]=3 28 B17R2.50009 CCOC(=O)C1=C(C=O)C2=CC=CC=C2N1 F14808 [0,2,0,0,0,0|0,0,0]=2 29 B15R2.984 NC1=C(C(=O)O)C=C2C=CC=CC2=C1 A8475 [0,0,1,1,0,0|2,0,0]=4 30 B15R2.984 O=C(O)C1=CC2=CC=CC=C2C=C1O H4990 [0,0,1,1,0,0|1,0,1]=4 31 B15R2.984 O=C(O)C1=CC2=CC=CC=C2NC1=O O14972 [0,0,1,1,0,0|2,0,0]=4 32 B15R2.14951 O=C(O)C1=CC(=O)C2=C(C=CC=C2)O1 C8597 [0,0,1,1,0,0|1,0,0]=3 33 B15R2.14951 O=C(O)C1=NC2=CC=CC=C2C(Cl)=C1 C17459 [0,0,1,1,0,0|1,0,1]=4 34 B15R2.1255 N[C@H](C(=O)O)C1=CNC2=CC=CC=C21 A12784 [0,0,1,1,0,0|1,0,1]=4 35 B15R2.332 NC1=C(C2=CC=CC(O)=C2)C=CC=C1 A14650 [0,0,1,1,0,0|2,0,0]=4 36 B17R3.66024 O=C(O)C1=C2NC3=CC=CC=C3C2=CN1 D14329 [0,0,0,1,0,1|1,0,0]=3 37 B15R2.627 O=C(O)C1=COC2=C(C=CC=C2)C1=O C8598 [1,0,0,0,0,1|1,0,0]=3