0 B17R2.73242 COC1=NN2C(=NN=C2CCC(=O)O)C=C1 Z1824568005 [0,0,0,0,0,0|3,0,1]=4 1 B16R2.15551 CC1=CC2=C(C=C1)NC=C2CCC(=O)O Z1276694079 [1,0,0,0,0,0|0,0,0]=1 2 B16R2.15551 O=C(O)CCC1=CN=C2N1C=C(C=C2)Br Z5346930455 [1,0,0,0,0,0|2,0,1]=4 3 B16R2.15551 O=C(O)CCC1=CNC2=C1C=C(C=C2)Br Z1509618627 [1,0,0,0,0,0|1,0,0]=2 4 B16R2.15551 O=C(O)CCN1C=CC2=C1C=C(C=C2)Cl Z385445922 [1,0,0,0,0,0|3,0,0]=4 5 B16R1.2 COC1=CC=C(C=C1)CCCCCC(=O)O Z424791204 [0,0,1,0,0,0|1,0,2]=4 6 B16R1.2 COC1=CC=C(C=C1)COCCCC(=O)O Z335080100 [0,0,1,0,0,0|2,0,1]=4 7 B16R2.42567 COC1=CC2=C(C=C1)NC=C2CC(=O)N Z407486572 [0,0,0,0,1,0|1,0,0]=2 8 B16R2.42567 COC1=CC2=C(C=C1)NC=C2CC(=O)O Z385472506 [0,0,0,0,1,0|0,0,0]=1 9 B16R2.42567 COC1=CC2=C(C=C1)ON=C2CC(=O)O Z1508929123 [0,0,0,0,1,0|2,0,0]=3 10 B18R2.120971 COC1=CC2=C(C=C1)NC=C2CCNC(=O)C Z1191880499 [0,0,0,0,0,1|1,0,0]=2 11 B18R2.120971 COC1=CC2=C(C=C1)NC=C2CCNC(=O)N Z1196462057 [0,0,0,0,0,1|1,0,0]=2 12 B15R1.65 COC1=CC(=CC=C1)C(=O)NCC(=O)O Z56794748 [1,0,1,0,0,0|2,0,0]=4 13 B15R1.65 COC1=NC=CC(=C1)C(=O)CCC(=O)O Z1685963122 [1,0,1,0,0,0|2,0,0]=4 14 B15R1.8420 CC1=CC(=C(C=C1)C)C(=O)CCC(=O)O Z56886447 [1,0,1,0,0,0|2,0,0]=4 15 B15R2.6 CC(=O)CCC1=CNC2=C1C=CC=C2 Z276142282 [2,0,0,0,0,0|1,0,0]=3 16 B15R2.6 NC(=O)CCC1=CNC2=C1C=CC=C2 Z33546345 [2,0,0,0,0,0|1,0,0]=3 17 B15R2.6 O=C(O)CCC1=CCC2=C1C=CC=C2 Z1262514880 [2,0,0,0,0,0|1,0,0]=3 18 B15R2.6 O=C(O)CCC1=CN=C2N1C=CC=C2 Z5336044044 [2,0,0,0,0,0|1,0,1]=4 19 B15R2.6 O=C(O)CCC1=CNC2=C1C=CC=C2 Z104482518 [2,0,0,0,0,0|0,0,0]=2 20 B15R2.6 O=C(O)CCC1=CSC2=C1C=CC=C2 Z995104750 [2,0,0,0,0,0|1,0,0]=3 21 B15R2.6 O=C(O)CCN1C=CC2=C1C=CC=C2 Z57316204 [2,0,0,0,0,0|2,0,0]=4 22 B15R2.54412 COC1=CC2=C(C=C1)NC=C2CC#N Z410711518 [2,0,0,0,0,0|1,0,1]=4 23 B15R2.54412 COC1=CC2=C(C=C1)NC=C2CCN Z336079372 [2,0,0,0,0,0|1,0,0]=3 24 B17R1.196 COC1=CC=C(C=C1)NC(=O)CSCC(=O)O Z19691850 [0,1,1,0,0,0|1,0,1]=4 25 B17R1.196 COC1=CC=C(C=C1)NC(=O)NCCC(=O)O Z227832742 [0,1,1,0,0,0|1,0,0]=3 26 B17R1.6698 COC1=CC(=C(C=C1)OC)C(=O)CCC(=O)O Z285137120 [0,1,1,0,0,0|1,0,1]=4 27 B17R2.25461 NC(CC1=CNC2=C1C=C(C=C2)Br)C(=O)O Z1255605966 [1,1,0,0,0,0|1,0,0]=3 28 B17R2.25461 N[C@@H](CC1=CNC2=C1C=C(C=C2)O)C(=O)O Z2044741046 [1,1,0,0,0,0|0,0,0]=2 29 B17R2.150937 CC1=CC2=C(C=C1)OC(=O)N2CCC(=O)O Z111781436 [1,1,0,0,0,0|2,0,0]=4 30 B17R2.1146278 CC(C)C1=CC2=C(C=C1)OC=C2CC(=O)O Z57906711 [0,1,0,0,1,0|2,0,0]=4 31 B17R2.1146278 O=C(O)CC1=CNC2=C1C=C(C=C2)[N+](=O)[O-] Z978942518 [0,1,0,0,1,0|2,0,0]=4 32 B19R2.195242 COC1=CC2=C(C=C1)NC=C2CCNS(=O)(=O)C Z1316790959 [0,1,0,0,0,1|1,0,1]=4 33 B19R2.1645485 CNC(=O)NCCC1=CNC2=C1C=C(C=C2)OC Z1196462077 [0,1,0,0,0,1|1,0,0]=3 34 B19R2.1014412 NC(CC1=CNC2=C1C=C(C=C2)[N+](=O)[O-])C(=O)O Z1508763642 [0,2,0,0,0,0|2,0,0]=4 35 B17R2.12011 COC1=CC2=C(C=CC=C2CC(=O)O)C=C1 Z1501269085 [0,0,1,1,0,0|1,0,1]=4 36 B17R2.2671 COC1=CC(=CC=C1)C2=NOC(C2)C(=O)O Z369742116 [0,0,1,1,0,0|2,0,0]=4 37 B17R3.1513 COC1=CC2=C(C=C1)NC3=C2CCCC3 Z1259160710 [1,0,0,1,0,0|1,0,1]=4 38 B17R3.1513 COC1=CC2=C(C=C1)NC3=C2CCNC3 Z2574931994 [1,0,0,1,0,0|2,0,0]=4 39 B15R1.4 COC1=CC=C(C=C1)/C=N/OCC(=O)O Z56774785 [0,0,1,0,1,0|2,0,0]=4 40 B15R1.4 COC1=CC=C(C=C1)CCCCC(=O)O Z361415678 [0,0,1,0,1,0|0,0,2]=4 41 B15R1.4 COC1=CC=C(C=C1)NCCCC(=O)O Z285672774 [0,0,1,0,1,0|0,0,1]=3 42 B15R1.4 COC1=CC=C(C=C1)OCCCC(=O)O Z56862235 [0,0,1,0,1,0|1,0,1]=4 43 B15R1.4 COC1=CC=C(C=C1)SCCCC(=O)O Z285049620 [0,0,1,0,1,0|1,0,1]=4 44 B15R1.1882 COC1=CC(=C(C=C1)OC)CCC(=O)O Z278160294 [0,0,1,0,1,0|1,0,1]=4 45 B15R2.9410 CC1=CC2=C(C=C1)N=CN2CC(=O)O Z1945984220 [1,0,0,0,1,0|1,0,1]=4 46 B15R2.9410 CC1=CC2=C(C=C1)NC=C2CC(=O)O Z1138836786 [1,0,0,0,1,0|0,0,0]=2 47 B15R2.9410 CC1=CC2=C(C=C1)OC=C2CC(=O)O Z57906221 [1,0,0,0,1,0|1,0,0]=3 48 B15R2.9410 O=C(O)CC1=CNC2=C1C=C(C=C2)Cl Z1162450206 [1,0,0,0,1,0|1,0,0]=3 49 B15R2.9410 O=C(O)CC1=CSC2=C1C=C(C=C2)Br Z1434712888 [1,0,0,0,1,0|2,0,0]=4 50 B15R2.9410 O=C(O)CC1=CSC2=C1C=C(C=C2)Cl Z1269130758 [1,0,0,0,1,0|2,0,0]=4 51 B15R2.3137 CCC1=CC2=C(C=C1)OC=C2C(=O)O Z1267805716 [0,0,0,0,2,0|2,0,0]=4 52 B15R2.3137 COC1=CC2=C(C=C1)NC=C2C(=O)C Z382706504 [0,0,0,0,2,0|1,0,0]=3 53 B15R2.3137 COC1=CC2=C(C=C1)NC=C2C(=O)O Z385370196 [0,0,0,0,2,0|0,0,0]=2 54 B15R2.3137 COC1=CC2=C(C=C1)NN=C2C(=O)N Z1198323509 [0,0,0,0,2,0|2,0,0]=4 55 B15R2.3137 COC1=CC2=C(C=C1)NN=C2C(=O)O Z1198163383 [0,0,0,0,2,0|1,0,0]=3 56 B15R2.3137 COC1=CC2=C(C=C1)OC=C2C(=O)O Z1255489710 [0,0,0,0,2,0|1,0,0]=3 57 B15R2.3137 COC1=NC2=C(C=C1)NN=C2C(=O)O Z4695690930 [0,0,0,0,2,0|2,0,0]=4 58 B15R2.3137 N#CC1=CC2=C(C=C1)NC=C2C(=O)O Z1198266516 [0,0,0,0,2,0|2,0,0]=4 59 B17R2.25462 CC(=O)NCCC1=CNC2=C1C=C(C=C2)F Z1220452176 [1,0,0,0,0,1|2,0,0]=4 60 B17R2.2764 COC1=CC2=C(C=C1)C(=CN2)CCC(=O)O Z3241301171 [0,0,0,0,1,1|0,0,0]=2