0 B16R1.4547 NC(=S)NNC(=O)C1=C(C=CC=C1)C(=O)O Z57203441 [0,0,0,0,0,0|3,1,0]=4 1 B15R1.86 COC1=C(C=CC=C1)C(=O)NCC(=O)O Z56919208 [1,0,0,0,0,0|3,0,0]=4 2 B15R1.8882 NC(=O)C1=C(C=CC=C1)OCCC(=O)O Z285229582 [1,0,0,0,0,0|2,0,0]=3 3 B15R1.8882 NC(=O)C1=C(N=CC=C1)SCCC(=O)O Z295404364 [1,0,0,0,0,0|3,0,0]=4 4 B15R1.8882 O=C(O)CCNC1=C(C=CC=C1)[N+](=O)[O-] Z64665540 [1,0,0,0,0,0|2,0,1]=4 5 B15R1.8882 O=C(O)CCOC1=C(C=CC=C1)[N+](=O)[O-] Z224635790 [1,0,0,0,0,0|2,0,1]=4 6 B17R1.14432 O=C(O)CNC(=O)C1=C(C=CC=C1Cl)[N+](=O)[O-] Z1123834916 [0,1,0,0,0,0|2,0,1]=4 7 B17R2.38284 CC1=NN(C(=O)C2=C1C=CC=C2)CC(=O)O Z235348073 [0,0,0,1,0,0|3,0,0]=4 8 B17R2.38284 O=C(O)CN1NC(=O)C2=C(C1=O)C=CC=C2 Z56877833 [0,0,0,1,0,0|2,0,0]=3 9 B17R2.39629 O=C(O)CCC1=C2C=CC=CC2=C(C=C1)F Z2696918879 [0,0,0,1,0,0|3,0,0]=4 10 B17R2.39629 O=C(O)CCN1N=CC(=O)C2=C1C=CC=C2 Z135257368 [0,0,0,1,0,0|3,0,0]=4 11 B17R2.197571 O=C(O)CN1C(=O)C2=C(S1(=O)=O)C=CC=C2 Z57270210 [0,0,0,1,0,0|2,0,1]=4 12 B17R1.16385 CN(C)CCNC(=O)C1=C(C=CC=C1)C(=O)O Z4951308605 [0,0,0,0,0,1|3,0,0]=4 13 B17R1.16418 NC(=O)C1=C(C=CC=C1)NC(=O)/C=C/C(=O)O Z56176709 [0,0,0,0,0,1|1,0,2]=4 14 B17R1.16418 NC(=O)C1=C(C=CC=C1)NC(=O)CCC(=O)O Z56176974 [0,0,0,0,0,1|1,0,0]=2 15 B14R1.96 O=CC1=C(C=CC=C1)OCCC(=O)O Z954894366 [2,0,0,0,0,0|1,0,0]=3 16 B14R1.160 CC1=C(C=CC=C1)C(=O)NCC(=O)O Z56983120 [2,0,0,0,0,0|1,0,1]=4 17 B14R1.160 NC1=C(C=CC=C1)C(=O)CCC(=O)O Z4561593840 [2,0,0,0,0,0|1,0,0]=3 18 B14R1.160 O=C(O)CCC(=O)C1=C(C=CC=C1)Br Z838955710 [2,0,0,0,0,0|1,0,0]=3 19 B14R1.160 O=C(O)CNC(=O)C1=C(C=CC=C1)Br Z56945486 [2,0,0,0,0,0|2,0,0]=4 20 B14R1.160 O=C(O)CNC(=O)C1=C(C=CC=C1)Cl Z56827160 [2,0,0,0,0,0|2,0,0]=4 21 B14R1.160 O=C(O)CNC(=O)C1=C(C=CC=C1)F Z56822248 [2,0,0,0,0,0|2,0,0]=4 22 B14R1.160 O=C(O)CNC(=O)C1=C(C=CC=C1)I Z85887266 [2,0,0,0,0,0|2,0,0]=4 23 B14R1.160 O=C(O)CNC(=O)C1=C(C=CC=C1)O Z3478749045 [2,0,0,0,0,0|1,0,0]=3 24 B14R1.160 O=C(O)CNC(=O)C1=C(C=CC=N1)O Z608480544 [2,0,0,0,0,0|2,0,0]=4 25 B16R1.4361 COC1=C(C=C(C=C1)Br)C(=O)CCC(=O)O Z56921793 [1,1,0,0,0,0|2,0,0]=4 26 B16R1.4361 COC1=C(C=C(C=C1)C)C(=O)CCC(=O)O Z56886431 [1,1,0,0,0,0|2,0,0]=4 27 B16R1.12449 NC(=O)CS(=O)(=O)C1=C(C=CC=C1)C(=O)O Z295402608 [0,1,0,0,1,0|2,0,0]=4 28 B18R1.32940 COC(=O)C1=C(C=CC=C1)NC(=O)COC(=O)C Z19628585 [0,1,0,0,0,1|2,0,0]=4 29 B16R2.16183 C=C1C2=C(C=CC=C2)C(=O)N1CC(=O)O Z203930622 [1,0,0,1,0,0|2,0,0]=4 30 B16R2.16183 CC(=O)CN1C(=O)C2=C(C1=O)C=CC=C2 Z18271720 [1,0,0,1,0,0|2,0,0]=4 31 B16R2.16183 O=C(O)CN1C(=O)C2=C(C1=O)C=CC=C2 Z56175684 [1,0,0,1,0,0|1,0,0]=3 32 B16R2.16183 O=C(O)CN1C(=O)C2=C(C1=O)C=NC=C2 Z1123701579 [1,0,0,1,0,0|2,0,0]=4 33 B16R2.16183 O=C(O)CN1C(=O)C2=C(C1=O)N=CC=C2 Z728202258 [1,0,0,1,0,0|2,0,0]=4 34 B16R2.83538 O=C(O)CC1CCC2=C(C1=O)C=CC=C2 Z1508916285 [1,0,0,1,0,0|1,0,1]=4 35 B16R2.83538 O=C(O)CN1N=CC2=C(C1=O)C=CC=C2 Z271129892 [1,0,0,1,0,0|2,0,0]=4 36 B16R2.104522 O=C(O)CCN1N=C(C2=C1C=CC=C2)O Z3301553050 [1,0,0,1,0,0|2,0,0]=4 37 B16R2.179941 O=C(O)CCC1=C2C=CC=CC2=CC=C1 Z317037922 [1,0,0,1,0,0|2,0,0]=4 38 B16R2.179941 O=C(O)CCC1=C2C=CC=CC2=CN=C1 Z1272682681 [1,0,0,1,0,0|2,0,0]=4 39 B16R2.24933 O=C(O)CC1=CC2=C(C=CC=C2)C(=O)N1 Z1509046220 [1,0,0,1,0,0|1,0,1]=4 40 B16R2.24933 O=C(O)CC1CC(=O)C2=C(C1)C=CC=C2 Z1508935695 [1,0,0,1,0,0|1,0,1]=4 41 B16R2.24414 O=C(O)CC1=C2C=CC=CC2=C(C=C1)O Z1508927484 [0,0,0,1,1,0|2,0,0]=4 42 B16R2.24414 O=C(O)CC1=NNC(=O)C2=C1C=CC=C2 Z56871698 [0,0,0,1,1,0|2,0,0]=4 43 B18R2.60824 O=C(O)CCN1NC(=O)C2=C(C1=O)C=CC=C2 Z89265783 [0,0,0,1,0,1|1,0,0]=3 44 B18R2.360915 O=C(O)CCN1C(=O)C2=C(S1(=O)=O)C=CC=C2 Z102925466 [0,0,0,1,0,1|1,0,1]=4 45 B18R2.60949 CC1=N[C@H](C(=O)NC2=C1C=CC=C2)CC(=O)O Z3307796666 [0,0,0,1,0,1|2,0,0]=4 46 B18R2.489514 O=C(O)CC1C(=O)NC2=C(S1(=O)=O)C=CC=C2 Z2751268922 [0,0,0,1,0,1|1,0,1]=4 47 B18R2.694144 COC(=O)CN1NC(=O)C2=C(C1=O)C=CC=C2 Z16298104 [0,1,0,1,0,0|2,0,0]=4 48 B18R2.488857 O=C(O)CCN1C(=O)NC(=O)C2=C1C=CC=C2 Z166653136 [0,1,0,1,0,0|2,0,0]=4 49 B14R1.4522 CC(=O)C1=C(C=CC=C1)OCC(=O)O Z336079640 [1,0,0,0,1,0|2,0,0]=4 50 B14R1.4522 CC(=O)CSC1=C(C=CC=C1)C(=O)O Z57028528 [1,0,0,0,1,0|2,0,0]=4 51 B14R1.4522 NC(=O)C1=C(C=CC=C1)CCC(=O)O Z1262536383 [1,0,0,0,1,0|1,0,0]=3 52 B14R1.4522 NC(=O)C1=C(C=CC=C1)OCC(=O)O Z56807191 [1,0,0,0,1,0|2,0,0]=4 53 B14R1.4522 NC(=O)COC1=C(C=CC=C1)C(=O)O Z57085648 [1,0,0,0,1,0|2,0,0]=4 54 B14R1.4522 NC(=O)CSC1=C(C=CC=C1)C(=O)O Z55950608 [1,0,0,0,1,0|2,0,0]=4 55 B14R1.4522 O=C(O)CCC1=C(C=CC=C1)[N+](=O)[O-] Z426022322 [1,0,0,0,1,0|1,0,1]=4 56 B14R1.4522 O=C(O)CSC1=C(C=CC=C1)C(=O)O Z149170932 [1,0,0,0,1,0|1,0,0]=3 57 B14R1.4522 O=C(O)CSC1=C(C=CC=N1)C(=O)O Z71176921 [1,0,0,0,1,0|2,0,0]=4 58 B16R1.18704 COC1=C(C=CC=C1)C(=O)NCCC(=O)O Z56928564 [1,0,0,0,0,1|2,0,0]=4 59 B16R1.4544 O=C(O)CCC(=O)C1=CC(=CC=C1)[N+](=O)[O-] Z275171096 [0,0,0,0,1,1|1,0,1]=4 60 B18R1.20990 O=C(O)CCCNC(=O)C1=C(C=CC=C1)C(=O)O Z57389143 [0,0,0,0,0,2|0,0,0]=2 61 B18R1.36947 O=C(O)CCNC(=O)CC1=C(C=CC=C1)[N+](=O)[O-] Z316090638 [0,0,0,0,0,2|1,0,1]=4