0 B16R2.3356 O=C(O)CCN1CC2=C(C1=O)C=CC=C2 Z442320982 [0,0,0,0,0,0|2,0,0]=2 1 B16R2.3356 O=C(O)CCN1N=C2C=CC=CN2C1=O Z285172014 [0,0,0,0,0,0|0,0,0]=0 2 B16R2.3356 O=C(O)CCN1SC2=C(C1=O)C=CC=C2 Z1449599503 [0,0,0,0,0,0|2,0,0]=2 3 B15R2.89 NCCCN1N=C2C=CC=CN2C1=O Z607822482 [1,0,0,0,0,0|1,0,1]=3 4 B15R2.89 O=C1N(N=C2N1C=CC=C2)CCCO Z425794456 [1,0,0,0,0,0|0,0,1]=2 5 B15R2.1660 CC(=O)NCC1=CN2C=CC=CC2=N1 Z29217752 [1,0,0,0,0,0|3,0,0]=4 6 B15R2.1660 CC(=O)OCC1=CN2C=CC=CC2=N1 Z19627737 [1,0,0,0,0,0|3,0,0]=4 7 B15R2.1660 O=C(O)CCC1=CC2=C(O1)C=CC=C2 Z137628830 [1,0,0,0,0,0|3,0,0]=4 8 B15R2.1660 O=C(O)CCC1=NC2=C(N1)C=CC=C2 Z57115077 [1,0,0,0,0,0|3,0,0]=4 9 B15R2.1660 O=C(O)CCC1=NC2=C(O1)C=CC=C2 Z57990849 [1,0,0,0,0,0|3,0,0]=4 10 B15R2.1660 O=C(O)CCC1=NC2=C(S1)C=CC=C2 Z56867230 [1,0,0,0,0,0|3,0,0]=4 11 B15R2.1660 O=C(O)CCC1=NN2C=CC=NC2=N1 Z1198272879 [1,0,0,0,0,0|3,0,0]=4 12 B15R2.1660 O=C(O)CCN1CC2=C(C1)C=CC=C2 Z1459994185 [1,0,0,0,0,0|2,0,1]=4 13 B17R2.26429 C=C1C2=C(C=CC=C2)C(=O)N1CCC(=O)O Z210850772 [0,1,0,0,0,0|2,0,0]=3 14 B17R2.26429 CC(=O)CCN1C(=O)C2=C(C1=O)C=CC=C2 Z96160464 [0,1,0,0,0,0|3,0,0]=4 15 B17R2.26429 O=C(O)CCN1C(=O)C2=C(C1=O)C=CC=C2 Z56174390 [0,1,0,0,0,0|2,0,0]=3 16 B17R2.26429 O=C(O)CON1C(=O)C2=C(C1=O)C=CC=C2 Z2181991827 [0,1,0,0,0,0|3,0,0]=4 17 B15R1.1078 CN(CCC(=O)O)C(=O)C1=CC=CC=C1 Z715586166 [0,0,1,0,0,0|2,0,0]=3 18 B15R1.8019 CC1=C(C=CC=C1)C(=O)NCCC(=O)O Z85914440 [0,0,1,0,0,0|2,0,0]=3 19 B15R1.8019 NC(=O)CCNC(=O)C1=C(C=CC=C1)N Z431594646 [0,0,1,0,0,0|2,0,1]=4 20 B15R1.8019 NC1=C(C=CC=C1)C(=O)CCCC(=O)O Z4657799880 [0,0,1,0,0,0|2,0,1]=4 21 B15R1.8019 O=C(O)CCNC(=O)C1=C(C=CC=C1)Cl Z56821823 [0,0,1,0,0,0|2,0,0]=3 22 B15R1.8019 O=C(O)CCNC(=O)C1=C(C=CC=C1)F Z85914939 [0,0,1,0,0,0|2,0,0]=3 23 B15R1.8019 O=C(O)CCNC(=O)C1=C(C=CC=N1)O Z2472857653 [0,0,1,0,0,0|3,0,0]=4 24 B15R2.629 C=C(Br)CN1N=C2C=CC=CN2C1=O Z1116580352 [0,0,0,0,1,0|2,0,0]=3 25 B15R2.629 O=C(O)CC1CC2=C(C1=O)C=CC=C2 Z1262511059 [0,0,0,0,1,0|3,0,0]=4 26 B15R2.629 O=C(O)CN1CC2=C(C1=O)C=CC=C2 Z442320966 [0,0,0,0,1,0|2,0,0]=3 27 B15R2.629 O=C(O)CN1N=C2C=CC=CN2C1=O Z239871652 [0,0,0,0,1,0|0,0,0]=1 28 B15R2.629 O=C(O)CN1NC2=C(C1=O)C=CC=C2 Z1255358384 [0,0,0,0,1,0|1,0,1]=3 29 B15R2.629 O=C(O)CN1SC2=C(C1=O)C=CC=C2 Z1269175881 [0,0,0,0,1,0|2,0,0]=3 30 B17R2.4043 O=C(O)CCCN1CC2=C(C1=O)C=CC=C2 Z442320936 [0,0,0,0,0,1|2,0,0]=3 31 B17R2.4043 O=C(O)CCCN1SC2=C(C1=O)C=CC=C2 Z1449599504 [0,0,0,0,0,1|2,0,0]=3 32 B17R2.5006 O=C(O)CCC1=CC2=C(C=CC=C2)NC1=O Z1508914306 [0,0,0,0,0,1|3,0,0]=4 33 B17R2.5006 O=C(O)CCC1=NC2=C(C=CC=C2)NC1=O Z56862720 [0,0,0,0,0,1|2,0,0]=3 34 B17R2.5006 O=C(O)CCC1=NC2=C(C=CC=C2)OC1=O Z57042007 [0,0,0,0,0,1|2,0,0]=3 35 B17R2.40403 O=C(O)CCC1=NC2=C(C=CC=C2)C(=O)N1 Z56869288 [0,0,0,0,0,1|2,0,0]=3 36 B17R2.155580 NC(=O)CCN1C=NC2=C(C1=O)C=CC=N2 Z237852858 [0,0,0,0,0,1|3,0,0]=4 37 B17R2.155580 NC(=O)CCN1N=CC2=C(C1=O)C=CC=C2 Z281155858 [0,0,0,0,0,1|2,0,0]=3 38 B17R2.155580 NC(=O)CCN1N=NC2=C(C1=O)C=CC=C2 Z168362636 [0,0,0,0,0,1|2,0,0]=3 39 B17R2.155580 O=C(O)CCC1CCC2=C(C1=O)C=CC=C2 Z1508917846 [0,0,0,0,0,1|3,0,0]=4 40 B17R2.155580 O=C(O)CCN1C=NC2=C(C1=O)C=CC=C2 Z168879920 [0,0,0,0,0,1|1,0,0]=2 41 B17R2.155580 O=C(O)CCN1N=NC2=C(C1=O)C=CC=C2 Z149094856 [0,0,0,0,0,1|1,0,0]=2 42 B14R1.420 O=C(O)CCCC(=O)C1=CC=CC=C1 Z361415342 [1,0,1,0,0,0|2,0,0]=4 43 B14R1.420 O=C(O)CCNC(=O)C1=CC=CC=C1 Z56854345 [1,0,1,0,0,0|1,0,0]=3 44 B14R1.420 O=C(O)CCNC(=O)C1=CC=NC=C1 Z228588434 [1,0,1,0,0,0|2,0,0]=4 45 B14R2.44 N#CCN1N=C2C=CC=CN2C1=O Z315924636 [2,0,0,0,0,0|1,0,1]=4 46 B14R2.44 NCCN1N=C2C=CC=CN2C1=O Z744754778 [2,0,0,0,0,0|1,0,0]=3 47 B14R2.44 O=C1N(N=C2N1C=CC=C2)CCBr Z285922088 [2,0,0,0,0,0|1,0,0]=3 48 B14R2.44 O=CCN1CC2=C(C1=O)C=CC=C2 Z906156876 [2,0,0,0,0,0|2,0,0]=4 49 B16R1.760 CCN(CCC(=O)O)C(=O)C1=CC=CC=C1 Z728857396 [0,1,1,0,0,0|2,0,0]=4 50 B16R1.11187 CN(CCC(=O)O)C(=O)C1=CC(=CC=C1)Cl Z715586148 [0,1,1,0,0,0|2,0,0]=4 51 B16R1.12306 CC(=O)N(CCC(=O)O)CC1=CC=CC=C1 Z224177314 [0,1,1,0,0,0|2,0,0]=4 52 B16R1.12306 CC(=O)N(CCC(=O)O)CC1=NC=CC=C1 Z2792081350 [0,1,1,0,0,0|1,0,1]=4 53 B16R1.7492 O=C(O)CCNC(=O)C1=C(C=CC(=C1)F)Br Z224131692 [0,1,1,0,0,0|2,0,0]=4 54 B16R1.11264 CC1=C(C(=CC=C1)C(=O)NCCC(=O)O)Br Z1869534157 [0,1,1,0,0,0|2,0,0]=4 55 B16R1.11264 CC1=C(C=CC=C1Cl)C(=O)NCCC(=O)O Z1898640268 [0,1,1,0,0,0|2,0,0]=4 56 B16R1.11442 CC1=C(C=CC(=C1)Cl)C(=O)NCCC(=O)O Z1947425237 [0,1,1,0,0,0|2,0,0]=4 57 B16R1.11442 CC1=CC(=C(C=C1)C(=O)NCCC(=O)O)O Z234895899 [0,1,1,0,0,0|2,0,0]=4 58 B16R1.11442 O=C(O)CCNC(=O)C1=C(C=C(C=C1)Cl)F Z224131616 [0,1,1,0,0,0|2,0,0]=4 59 B16R1.11442 O=C(O)CCNC(=O)C1=C(C=C(C=C1)Cl)I Z1443838347 [0,1,1,0,0,0|2,0,0]=4 60 B16R1.11442 O=C(O)CCNC(=O)C1=C(C=C(C=C1)F)Cl Z85914524 [0,1,1,0,0,0|2,0,0]=4 61 B16R1.11442 O=C(O)CCNC(=O)C1=C(C=C(C=C1)F)F Z85914421 [0,1,1,0,0,0|2,0,0]=4 62 B16R1.16971 COC(=O)CCNC(=O)C1=C(C=CC=C1)Cl Z31986163 [0,1,1,0,0,0|2,0,0]=4 63 B16R2.30052 O=CCCN1C(=O)C2=C(C1=O)C=CC=C2 Z1080365456 [1,1,0,0,0,0|2,0,0]=4 64 B16R2.12099 CC1=CC2=CN(N=C2N=C1)CCC(=O)O Z1263738475 [1,1,0,0,0,0|2,0,0]=4 65 B16R2.16183 C=C1C2=C(C=CC=C2)C(=O)N1CC(=O)O Z203930622 [0,1,0,0,1,0|2,0,0]=4 66 B16R2.16183 O=C(O)CN1C(=O)C2=C(C1=O)C=CC=C2 Z56175684 [0,1,0,0,1,0|2,0,0]=4 67 B18R2.9962 C=CC(=O)NCCN1N=C2C=CC=CN2C1=O Z2285377391 [0,1,0,0,0,1|1,0,0]=3 68 B18R2.9962 O=C(CCl)NCCN1N=C2C=CC=CN2C1=O Z1562128450 [0,1,0,0,0,1|1,0,0]=3 69 B18R2.42333 O=C(O)CCCN1C(=O)C2=C(C1=O)C=CC=C2 Z56174389 [0,1,0,0,0,1|2,0,0]=4 70 B18R2.60953 O=C(O)CCN1C(=O)CC2=C(C1=O)C=CC=C2 Z90661311 [0,1,0,0,0,1|2,0,0]=4 71 B18R2.95330 COC(=O)CCC1=NC2=C(C=CC=C2)OC1=O Z203884182 [0,1,0,0,0,1|2,0,0]=4 72 B18R2.60824 O=C(O)CCN1NC(=O)C2=C(C1=O)C=CC=C2 Z89265783 [0,1,0,0,0,1|2,0,0]=4 73 B18R2.9347 COC(=O)CCN1C=NC2=C(C1=O)C=CC=C2 Z104364234 [0,1,0,0,0,1|1,0,0]=3 74 B18R2.31513 CC1=CC2=C(C=C1)N=CN(C2=O)CCC(=O)N Z441282850 [0,1,0,0,0,1|2,0,0]=4 75 B18R2.31513 NC(=O)CCN1C=NC2=C(C1=O)C=C(C=C2)Br Z197486370 [0,1,0,0,0,1|2,0,0]=4 76 B18R2.31513 NC(=O)CCN1C=NC2=C(C1=O)C=C(C=C2)Cl Z197487940 [0,1,0,0,0,1|2,0,0]=4 77 B18R2.31513 O=C(O)CCN1C=NC2=C(C1=O)C=C(C=C2)Br Z156946844 [0,1,0,0,0,1|1,0,0]=3 78 B18R2.59637 CC1=C2N=CN(C(=O)C2=CC=C1)CCC(=O)O Z168879924 [0,1,0,0,0,1|1,0,0]=3 79 B18R2.59637 NC(=O)CCN1C=NC2=C(C1=O)C=CC=C2Br Z449825798 [0,1,0,0,0,1|2,0,0]=4 80 B18R2.1263092 NC(=O)CCN1C=NC2=C(C1=O)C=CC(=C2)Cl Z197489804 [0,1,0,0,0,1|2,0,0]=4 81 B18R2.1263092 NC(=O)CCN1C=NC2=C(C1=O)C=CC(=C2)F Z197490120 [0,1,0,0,0,1|2,0,0]=4 82 B18R2.101788 COC(=O)CCN1C(=O)C2=C(C1=O)C=CC=C2 Z14667065 [0,2,0,0,0,0|2,0,0]=4 83 B18R2.508382 CC1=CC2=C(C=C1)C(=O)N(C2=O)CCC(=O)O Z147647110 [0,2,0,0,0,0|2,0,0]=4 84 B18R2.508382 O=C(O)CCN1C(=O)C2=C(C1=O)C=C(C=C2)Br Z147647104 [0,2,0,0,0,0|2,0,0]=4 85 B18R2.360915 O=C(O)CCN1C(=O)C2=C(S1(=O)=O)C=CC=C2 Z102925466 [0,2,0,0,0,0|2,0,0]=4 86 B16R2.44951 CN1C(=O)C2=C(C1CC(=O)O)C=CC=C2 Z1508967616 [0,0,1,1,0,0|2,0,0]=4 87 B16R2.4003 O=C(O)CCC1C(=O)NC2=C1C=CC=C2 Z1508917501 [0,0,1,1,0,0|2,0,0]=4 88 B16R2.4003 O=C(O)CCN1C(=O)OC2=C1C=CC=C2 Z57728665 [0,0,1,1,0,0|2,0,0]=4 89 B16R2.4003 O=C(O)CCN1C(=O)SC2=C1C=CC=C2 Z57728689 [0,0,1,1,0,0|2,0,0]=4 90 B14R1.96 O=CC1=C(C=CC=C1)OCCC(=O)O Z954894366 [0,0,1,0,1,0|2,0,0]=4 91 B14R1.417 CN(CC(=O)O)C(=O)C1=CC=CC=C1 Z85895238 [0,0,1,0,1,0|2,0,0]=4 92 B14R1.160 CC1=C(C=CC=C1)C(=O)NCC(=O)O Z56983120 [0,0,1,0,1,0|2,0,0]=4 93 B14R1.160 NC1=C(C=CC=C1)C(=O)CCC(=O)O Z4561593840 [0,0,1,0,1,0|1,0,1]=4 94 B14R1.160 O=C(O)CCC(=O)C1=C(C=CC=C1)Br Z838955710 [0,0,1,0,1,0|2,0,0]=4 95 B14R1.160 O=C(O)CNC(=O)C1=C(C=CC=C1)Br Z56945486 [0,0,1,0,1,0|2,0,0]=4 96 B14R1.160 O=C(O)CNC(=O)C1=C(C=CC=C1)Cl Z56827160 [0,0,1,0,1,0|2,0,0]=4 97 B14R1.160 O=C(O)CNC(=O)C1=C(C=CC=C1)F Z56822248 [0,0,1,0,1,0|2,0,0]=4 98 B14R1.160 O=C(O)CNC(=O)C1=C(C=CC=C1)I Z85887266 [0,0,1,0,1,0|2,0,0]=4 99 B14R1.160 O=C(O)CNC(=O)C1=C(C=CC=C1)O Z3478749045 [0,0,1,0,1,0|2,0,0]=4 100 B14R2.768 NC(=O)CC1=CN2C=CC=CC2=N1 Z90663557 [1,0,0,0,1,0|2,0,0]=4 101 B14R2.768 O=C(O)CN1C=C2C=CC=CC2=N1 Z1083213968 [1,0,0,0,1,0|1,0,0]=3 102 B14R2.768 O=C(O)CN1C=C2N=CC=CC2=N1 Z3074332589 [1,0,0,0,1,0|2,0,0]=4 103 B18R2.4835 C=C(C)CSCCN1N=C2C=CC=CN2C1=O Z1329390277 [0,0,0,0,0,2|2,0,0]=4 104 B18R2.63530 NC(=O)CSCC1=CC(=O)N2C=CC=CC2=N1 Z45310985 [0,0,0,0,0,2|2,0,0]=4 105 B18R2.63530 O=C(O)CCCC1=NC2=C(C=CC=C2)C(=O)N1 Z56983044 [0,0,0,0,0,2|2,0,0]=4 106 B18R2.63530 O=C(O)CCSC1=NC2=C(C=CC=C2)C(=O)N1 Z103067052 [0,0,0,0,0,2|2,0,0]=4 107 B18R2.63530 O=C(O)COCC1=NC2=C(C=CC=C2)C(=O)N1 Z283690046 [0,0,0,0,0,2|2,0,0]=4 108 B18R2.282514 O=C(O)CCCN1C=NC2=C(C1=O)C=CC=C2 Z169511492 [0,0,0,0,0,2|1,0,0]=3