0 B20R2.24692 CC(C(N)=O)c1cc(ccc1)C(=O)c2ccccc2 Amb22055614 [0,0,0,0,0,0|1,0,0]=1 1 B20R2.24692 CC(C([O-])=O)c1cc(ccc1)C(=O)c2ccccc2 Amb22484560 [0,0,0,0,0,0|0,0,1]=1 2 B20R2.24692 CC(c1cc(ccc1)C(=O)c2ccccc2)C(O)=O Amb22168273 [0,0,0,0,0,0|0,0,0]=0 3 B20R2.24692 C[C@@H](c1cc(ccc1)C(=O)c2ccccc2)C(O)=O Amb22167847 [0,0,0,0,0,0|0,0,0]=0 4 B20R2.24692 ClC(=O)C(c1cccc(c1)C(=O)c2ccccc2)C Amb10576563 [0,0,0,0,0,0|1,0,0]=1 5 B20R2.24692 OC(=O)C(c1cccc(c1)C(c2ccccc2)O)C Amb17612970 [0,0,0,0,0,0|0,0,2]=2 6 B20R2.24692 OC(=O)[C@@H](c1cccc(c1)C(=O)c2ccccc2)C Amb17616363 [0,0,0,0,0,0|0,0,0]=0 7 B19R2.2636 CC(C(O)=O)c1cc(ccc1)Oc2ccccc2 Amb22055258 [1,0,0,0,0,0|1,0,0]=2 8 B19R2.2636 CC(C(O)=O)c1cc(ccc1)Oc2ccccc2 Amb22352041 [1,0,0,0,0,0|1,0,0]=2 9 B19R2.2636 CC(c1cc(ccc1)Oc2ccccc2)C([O-])=O Amb20239446 [1,0,0,0,0,0|1,0,1]=3 10 B19R2.2636 CC(c1cc(ccc1)Oc2ccccc2)C([O-])=O Amb22395944 [1,0,0,0,0,0|1,0,1]=3 11 B19R2.2636 NC(=O)C(O)c1cc(ccc1)Oc2ccccc2 Amb22469606 [1,0,0,0,0,0|3,0,0]=4 12 B19R2.2636 NC(=O)[C@H](O)c1cc(ccc1)Oc2ccccc2 Amb22433035 [1,0,0,0,0,0|3,0,0]=4 13 B19R2.2636 OC(=O)C(=O)c1cc(ccc1)Oc2ccccc2 Amb22460904 [1,0,0,0,0,0|2,0,1]=4 14 B19R2.2636 OC(=O)C(c1cccc(c1)Cc2ccccc2)C Amb17611919 [1,0,0,0,0,0|0,0,1]=2 15 B19R2.2636 OC(=O)C(c1cccc(c1)Oc2ccccc2)N Amb1838819 [1,0,0,0,0,0|2,0,0]=3 16 B19R2.13509 OC(=O)Cc1cccc(c1)C(=O)c2ccccc2 Amb10576142 [1,0,0,0,0,0|0,0,0]=1 17 B21R2.1255 COC(=O)C(c1cccc(c1)C(=O)c2ccccc2)C Amb17616370 [0,1,0,0,0,0|0,0,0]=1 18 B21R2.19182 Cc1ccc(cc1)C(=O)c2cc(ccc2)C(C)C(O)=O Amb22055784 [0,1,0,0,0,0|0,0,0]=1 19 B21R3.18307 CN1c2cc(ccc2OC1=O)C(=O)c3ccccc3 Amb19756182 [0,0,0,1,0,0|1,0,0]=2 20 B21R3.18307 O=C1Nc2c(C1C)cc(cc2)C(c3ccccc3)O Amb17491115 [0,0,0,1,0,0|1,0,2]=4 21 B21R3.4268330 O=C1Nc2c(C1C)cccc2C(=O)c3ccccc3 Amb17596913 [0,0,0,1,0,0|1,0,0]=2 22 B19R2.18053 C[C@@H](C(O)=O)c1ccc([s]1)C(=O)c2ccccc2 Amb22751688 [0,0,0,0,1,0|1,0,0]=2 23 B19R2.18053 OC(=O)C(c1ccc(s1)C(=O)c2ccccc2)C Amb17597171 [0,0,0,0,1,0|1,0,0]=2 24 B19R2.18096 CC(C(O)=O)[n]1cccc1C(=O)c2ccccc2 Amb20528188 [0,0,0,0,1,0|1,0,0]=2 25 B21R2.32849 CC(=O)N(c1cccc(c1)NC(=O)c2ccccc2)C Amb17622570 [0,0,0,0,0,1|2,0,0]=3 26 B18R2.290 CC(C=O)c1cc(ccc1)Oc2ccccc2 Amb24060842 [2,0,0,0,0,0|1,0,0]=3 27 B18R2.312 NC(=O)Cc1cc(ccc1)Oc2ccccc2 Amb22456937 [2,0,0,0,0,0|2,0,0]=4 28 B18R2.7116 CC(O)c1cc(ccc1)C(=O)c2ccccc2 Amb22055432 [2,0,0,0,0,0|0,0,0]=2 29 B18R2.7116 O=C(c1cccc(c1)C(=O)C)c2ccccc2 Amb10071049 [2,0,0,0,0,0|0,0,1]=3 30 B18R2.7116 O=C(c1ccccc1)c2cc(ccc2)C(=O)Cl Amb22167582 [2,0,0,0,0,0|1,0,1]=4 31 B18R2.7469 N#CCc1cccc(c1)C(=O)c2ccccc2 Amb16233559 [2,0,0,0,0,0|1,0,1]=4 32 B20R2.424 COC(=O)C(O)c1cccc(c1)Oc2ccccc2 Amb22469409 [1,1,0,0,0,0|2,0,0]=4 33 B20R2.2116 COC(c1cccc(c1)Oc2ccccc2)C(O)=O Amb22480568 [1,1,0,0,0,0|1,0,0]=3 34 B20R2.8692 CC(C(O)=O)c1cc(ccc1)Oc2ccccc2Cl Amb24106806 [1,1,0,0,0,0|1,0,0]=3 35 B20R2.15272 CC(=O)Nc1ccc(c(c1)C(=O)c2ccccc2)O Amb17157452 [1,1,0,0,0,0|2,0,0]=4 36 B20R2.27363 COC(=O)Cc1cccc(c1)C(=O)c2ccccc2 Amb17612195 [1,1,0,0,0,0|0,0,0]=2 37 B20R2.2720770 NC(=O)Cc1cccc(c1N)C(=O)c2ccccc2 Amb16232449 [1,1,0,0,0,0|1,0,0]=3 38 B20R2.2720770 Nc1c(cccc1CC(O)=O)C(=O)c2ccccc2 Amb22490707 [1,1,0,0,0,0|0,0,0]=2 39 B20R2.2720770 [O-]C(=O)Cc1cccc(c1N)C(=O)c2ccccc2 Amb15691562 [1,1,0,0,0,0|0,0,1]=3 40 B22R2.23080 Cc1ccc(cc1)C(=O)Nc2cccc(c2)N(C(=O)C)C Amb17624187 [0,1,0,0,0,1|2,0,0]=4 41 B22R2.23080 Clc1ccc(cc1)C(=O)Nc2cccc(c2)N(C(=O)C)C Amb17626574 [0,1,0,0,0,1|2,0,0]=4 42 B22R2.144733 CC(=O)N(c1cccc(c1)NC(=O)c2ccccc2C)C Amb17626524 [0,1,0,0,0,1|2,0,0]=4 43 B22R2.304297 Cc1cccc(c1)C(=O)Nc2cccc(c2)N(C(=O)C)C Amb17626226 [0,1,0,0,0,1|2,0,0]=4 44 B22R2.51263 CCOC(=O)C(C)c1cc(ccc1)C(=O)c2ccccc2 Amb22055615 [0,2,0,0,0,0|0,0,0]=2 45 B22R2.309258 CC(C(O)=O)c1cccc(c1)C(=O)c2ccc(C)cc2C Amb23437958 [0,2,0,0,0,0|0,0,0]=2 46 B22R2.746809 CSC(c1cccc(C(=O)c2ccccc2)c1N)C(N)=O Amb19957381 [0,2,0,0,0,0|1,0,0]=3 47 B22R2.6542918 CC(C)C(C(O)=O)c1cccc(c1)C(=O)c2ccccc2 Amb22482610 [0,2,0,0,0,0|0,0,0]=2 48 B20R3.12019 O=C(c1c[n]c2NC(=O)Cc2c1)c3ccccc3 Amb24082544 [1,0,0,1,0,0|2,0,0]=4 49 B20R3.12019 O=C(c1cc2[s]c(=O)[nH]c2cc1)c3ccccc3 Amb24081540 [1,0,0,1,0,0|2,0,0]=4 50 B20R3.12019 O=C1Nc2cc(ccc2N1)C(=O)c3ccccc3 Amb21937334 [1,0,0,1,0,0|2,0,0]=4 51 B20R3.3481318 OC(=O)Cc1ccc2c(c1)n(C)c3c2cccc3 Amb2571740 [1,0,0,1,0,0|2,0,0]=4 52 B22R3.27250 O=C(c1ccc2c(c1)nc(c(n2)O)C)c3ccccc3 Amb2522938 [0,0,0,1,0,1|1,0,1]=4 53 B22R3.27349 CN1c2cc(ccc2OC1=O)NC(=O)c3c[n]ccc3 Amb19117948 [0,0,0,1,0,1|2,0,0]=4 54 B22R3.27349 CN1c2cc(ccc2OC1=O)NC(=O)c3cc[n]cc3 Amb18378868 [0,0,0,1,0,1|2,0,0]=4 55 B22R3.27349 O=C1Nc2c(C1C)cc(cc2)NC(=O)c3ccccc3 Amb16937287 [0,0,0,1,0,1|1,0,0]=3 56 B22R3.27349 O=C1Nc2c(C1C)cc(cc2)NC(=O)c3cccnc3 Amb16937338 [0,0,0,1,0,1|2,0,0]=4 57 B22R3.27349 O=C1Nc2c(C1C)cc(cc2)NC(=O)c3ccncc3 Amb16937339 [0,0,0,1,0,1|2,0,0]=4 58 B22R3.3025491 CC(C(O)=O)c1cc2[n]c([nH]c2cc1)-c3ccccc3 Amb18247434 [0,0,0,1,0,1|1,0,0]=3 59 B22R3.27366 O=C1Nc2c(C1C)cc(cc2)C(=O)C[n+]3ccccc3 Amb17600561 [0,0,0,1,0,1|2,0,0]=4 60 B22R3.250597 CN1c2ccc(cc2N(C)C1=O)C(=O)c3ccccc3 Amb19772274 [0,1,0,1,0,0|2,0,0]=4 61 B22R3.7314782 CC(C(O)=O)c1cc2c(cc1)Oc3ccccc3C2=O Amb24323709 [0,1,0,1,0,0|0,0,0]=2 62 B22R3.7314782 CC(C([O-])=O)c1cc2c(cc1)Oc3ccccc3C2=O Amb24323715 [0,1,0,1,0,0|0,0,1]=3 63 B22R3.87285 OC(=O)C1CCc2c(cccc21)C(=O)c3ccccc3 Amb24065831 [0,1,0,1,0,0|0,0,0]=2 64 B18R2.9889 NC(=O)Cc1ccc(s1)C(=O)c2ccccc2 Amb2437703 [1,0,0,0,1,0|2,0,0]=4 65 B18R2.9889 OC(=O)Cc1ccc(s1)C(=O)c2ccccc2 Amb2434579 [1,0,0,0,1,0|1,0,0]=3 66 B18R2.9938 OC(=O)Cn1ccnc1C(=O)c2ccccc2 Amb2540172 [1,0,0,0,1,0|2,0,0]=4 67 B20R2.2706 CC(=O)C(C)Oc1cc(ccc1)Oc2ccccc2 Amb22289006 [1,0,0,0,0,1|2,0,0]=4 68 B20R2.2706 OC(=O)C(Cc1cccc(c1)Oc2ccccc2)C Amb17605807 [1,0,0,0,0,1|1,0,0]=3 69 B20R2.2706 OC(=O)C(Oc1cccc(c1)Oc2ccccc2)C Amb1111361 [1,0,0,0,0,1|1,0,0]=3 70 B20R2.4472 N[C@@H](CC(O)=O)c1cc(ccc1)Oc2ccccc2 Amb19888527 [1,0,0,0,0,1|2,0,0]=4 71 B20R2.4472 N[C@H](CC(O)=O)c1cc(ccc1)Oc2ccccc2 Amb19887692 [1,0,0,0,0,1|2,0,0]=4 72 B20R2.16520 CNC(c1cccc(c1)NC(=O)c2ccccc2)C Amb156231 [1,0,0,0,0,1|2,0,0]=4 73 B20R2.17761 CC(=O)Oc1cccc(c1)NC(=O)c2ccccc2 Amb1931880 [1,0,0,0,0,1|2,0,0]=4 74 B20R2.17761 NC(=O)Nc1cccc(c1)NC(=O)c2ccccc2 Amb10629467 [1,0,0,0,0,1|2,0,0]=4 75 B20R2.17761 OC(=O)Cc1cc(ccc1)NC(=O)c2c[n]cc[n]2 Amb24002870 [1,0,0,0,0,1|2,0,0]=4 76 B20R2.17761 OC(=O)Cc1cc(ccc1)NC(=O)c2cc[n]cc2 Amb24002913 [1,0,0,0,0,1|1,0,0]=3 77 B20R2.17761 OC(=O)Cc1cccc(c1)NC(=O)c2ccccc2 Amb17055241 [1,0,0,0,0,1|0,0,0]=2 78 B20R2.17761 OC(=O)Cc1cccc(c1)NC(=O)c2cccnc2 Amb17055265 [1,0,0,0,0,1|1,0,0]=3 79 B20R2.17770 CC(=O)Nc1cccc(c1)C(=O)Nc2ccccc2 Amb155988 [1,0,0,0,0,1|2,0,0]=4 80 B20R2.17770 CC(=O)Nc1cccc(c1)C(=O)Oc2ccccc2 Amb156092 [1,0,0,0,0,1|2,0,0]=4 81 B20R2.17770 CS(=O)Cc1cc(ccc1)C(=O)Nc2ccccc2 Amb21200305 [1,0,0,0,0,1|2,0,0]=4 82 B20R2.17770 CS(=O)Cc1cc(ccc1)C(=O)Oc2ccccc2 Amb21200870 [1,0,0,0,0,1|2,0,0]=4