0 B15R1.890 OC(=O)[C@@H](N)[C@H](O)c1ccc(O)c(O)c1 PI-12337 [0,0,0,0,0,0|0,0,0]=0 1 B14R1.686 C1=CC(=C(C=C1CC(=O)C(=O)O)O)O PI-34062 [1,0,0,0,0,0|1,0,1]=3 2 B14R1.686 C1=CC(=C(C=C1CC(C(=O)O)N)Cl)Cl PI-25643 [1,0,0,0,0,0|2,0,0]=3 3 B14R1.686 C1=CC(=C(C=C1CC(C(=O)O)N)Cl)Cl PI-25644 [1,0,0,0,0,0|2,0,0]=3 4 B14R1.686 C1=CC(=C(C=C1CC(C(=O)O)N)Cl)O PI-25821 [1,0,0,0,0,0|1,0,0]=2 5 B14R1.686 C1=CC(=C(C=C1CC(C(=O)O)N)F)F PI-21216 [1,0,0,0,0,0|2,0,0]=3 6 B14R1.686 C1=CC(=C(C=C1CC(C(=O)O)N)F)O PI-27890 [1,0,0,0,0,0|1,0,0]=2 7 B14R1.686 C1=CC(=C(C=C1CC(C(=O)O)N)N)O PI-27366 [1,0,0,0,0,0|1,0,0]=2 8 B14R1.686 C1=CC(=C(C=C1CC(C(=O)O)N)O)O PI-12967 [1,0,0,0,0,0|0,0,0]=1 9 B14R1.686 C1=CC(=C(C=C1CC(C(=O)O)N)O)O PI-44569 [1,0,0,0,0,0|0,0,0]=1 10 B14R1.686 CC1=C(C=C(C=C1)CC(C(=O)O)N)C PI-33681 [1,0,0,0,0,0|2,0,0]=3 11 B14R1.686 CC1=C(C=CC(=C1)C[C@@H](C(=O)O)N)O PI-48177 [1,0,0,0,0,0|1,0,0]=2 12 B14R1.686 NC(CC1=CC(O)=C(O)C=C1)C(O)=O PI-38725 [1,0,0,0,0,0|0,0,0]=1 13 B14R1.686 N[C@@H](CC1=CC(Br)=C(C=C1)O)C(O)=O PI-37231 [1,0,0,0,0,0|1,0,0]=2 14 B14R1.686 OC(=O)[C@H](Cc1ccc(c(c1)I)O)N PI-18843 [1,0,0,0,0,0|1,0,0]=2 15 B13R1.132 C1=CC(=CC=C1C(CC(=O)O)N)Br PI-43723 [2,0,0,0,0,0|2,0,0]=4 16 B13R1.132 C1=CC(=CC=C1C(CC(=O)O)N)Br PI-43789 [2,0,0,0,0,0|2,0,0]=4 17 B13R1.132 C1=CC(=CC=C1C(CC(=O)O)N)Cl PI-30270 [2,0,0,0,0,0|2,0,0]=4 18 B13R1.132 C1=CC(=CC=C1C(CC(=O)O)N)F PI-15932 [2,0,0,0,0,0|2,0,0]=4 19 B13R1.132 C1=CC(=CC=C1C(CC(=O)O)N)O PI-43808 [2,0,0,0,0,0|1,0,0]=3 20 B13R1.132 C1=CC(=CC=C1C(CC(=O)O)N)O PI-43854 [2,0,0,0,0,0|1,0,0]=3 21 B13R1.132 CC1=CC=C(C=C1)C(CC(=O)O)N PI-30845 [2,0,0,0,0,0|2,0,0]=4 22 B13R1.133 C1=CC(=CC=C1CC(C(=O)O)N)Br PI-28307 [2,0,0,0,0,0|1,0,0]=3 23 B13R1.133 C1=CC(=CC=C1CC(C(=O)O)N)Br PI-28700 [2,0,0,0,0,0|1,0,0]=3 24 B13R1.133 C1=CC(=CC=C1CC(C(=O)O)N)Cl PI-10516 [2,0,0,0,0,0|1,0,0]=3 25 B13R1.133 C1=CC(=CC=C1CC(C(=O)O)N)Cl PI-28142 [2,0,0,0,0,0|1,0,0]=3 26 B13R1.133 C1=CC(=CC=C1CC(C(=O)O)N)F PI-18608 [2,0,0,0,0,0|1,0,0]=3 27 B13R1.133 C1=CC(=CC=C1CC(C(=O)O)N)F PI-28063 [2,0,0,0,0,0|1,0,0]=3 28 B13R1.133 C1=CC(=CC=C1CC(C(=O)O)N)I PI-28308 [2,0,0,0,0,0|1,0,0]=3 29 B13R1.133 C1=CC(=CC=C1CC(C(=O)O)N)I PI-28701 [2,0,0,0,0,0|1,0,0]=3 30 B13R1.133 C1=CC(=CC=C1CC(C(=O)O)N)N PI-43383 [2,0,0,0,0,0|1,0,0]=3 31 B13R1.133 C1=CC(=CC=C1CC(C(=O)O)N)N PI-45778 [2,0,0,0,0,0|1,0,0]=3 32 B13R1.133 C1=CC(=CC=C1CC(C(=O)O)N)O PI-42784 [2,0,0,0,0,0|0,0,0]=2 33 B13R1.133 CC1=CC=C(C=C1)CC(C(=O)O)N PI-43207 [2,0,0,0,0,0|1,0,0]=3 34 B13R1.133 CC1=CC=C(C=C1)CC(C(=O)O)N PI-43615 [2,0,0,0,0,0|1,0,0]=3 35 B13R1.133 NC(C(=O)O)Cc1ccc(cc1)Br PI-30137 [2,0,0,0,0,0|1,0,0]=3 36 B13R1.133 NC(C(=O)O)Cc1ccc(cc1)Cl PI-30896 [2,0,0,0,0,0|1,0,0]=3 37 B13R1.133 NC(C(=O)O)Cc1ccc(cc1)I PI-18181 [2,0,0,0,0,0|1,0,0]=3 38 B13R1.133 NC(CC1=CC=C(C=C1)O)C(O)=O PI-25670 [2,0,0,0,0,0|0,0,0]=2 39 B13R1.133 N[C@@H](C(=O)O)Cc1ccc(cc1)F PI-28220 [2,0,0,0,0,0|1,0,0]=3 40 B13R1.133 N[C@H](C(=O)O)Cc1ccc(cc1)N PI-28895 [2,0,0,0,0,0|1,0,0]=3 41 B13R1.133 Oc1ccc(cc1)C[C@H](N)C(=O)O PI-27245 [2,0,0,0,0,0|0,0,0]=2 42 B13R1.133 Oc1ccc(cc1)C[C@H](O)C(=O)O PI-36348 [2,0,0,0,0,0|1,0,0]=3 43 B13R1.133 Oc1ccc(cc1)O[C@H](C)C(=O)O PI-12991 [2,0,0,0,0,0|2,0,0]=4 44 B13R1.152 C1=CC=C(C=C1)C(C(C(=O)O)O)N PI-33678 [2,0,0,0,0,0|2,0,0]=4 45 B13R1.152 CC(C1=CC=CC=C1)C(C(=O)O)N PI-30943 [2,0,0,0,0,0|1,0,0]=3 46 B13R1.152 C[C@@H]([C@@H](C1=CC=CC=C1)O)C(=O)O PI-48759 [2,0,0,0,0,0|1,0,0]=3 47 B13R1.147 C1=CC(=CC(=C1)F)C(CC(=O)O)N PI-15931 [2,0,0,0,0,0|2,0,0]=4 48 B13R1.148 C1=CC(=CC(=C1)Br)CC(C(=O)O)N PI-43732 [2,0,0,0,0,0|1,0,0]=3 49 B13R1.148 C1=CC(=CC(=C1)Cl)CC(C(=O)O)N PI-43882 [2,0,0,0,0,0|1,0,0]=3 50 B13R1.148 C1=CC(=CC(=C1)Cl)CC(C(=O)O)N PI-43883 [2,0,0,0,0,0|1,0,0]=3 51 B13R1.148 C1=CC(=CC(=C1)F)CC(C(=O)O)N PI-14973 [2,0,0,0,0,0|1,0,0]=3 52 B13R1.148 C1=CC(=CC(=C1)F)CC(C(=O)O)N PI-14974 [2,0,0,0,0,0|1,0,0]=3 53 B13R1.148 C1=CC(=CC(=C1)F)CC(C(=O)O)N PI-30399 [2,0,0,0,0,0|1,0,0]=3 54 B13R1.148 CC1=CC(=CC=C1)CC(C(=O)O)N PI-43208 [2,0,0,0,0,0|1,0,0]=3 55 B13R1.148 CC1=CC(=CC=C1)CC(C(=O)O)N PI-43420 [2,0,0,0,0,0|1,0,0]=3 56 B13R1.148 OC(=O)C(N)Cc1cccc(O)c1 PI-27906 [2,0,0,0,0,0|0,0,0]=2 57 B13R1.466 CNCC(C1=CC(=C(C=C1)O)O)O PI-10336 [2,0,0,0,0,0|2,0,0]=4 58 B13R1.466 CNCC(C1=CC(=C(C=C1)O)O)O PI-16617 [2,0,0,0,0,0|2,0,0]=4 59 B13R1.466 CNCC(O)c1ccc(O)c(O)c1 PI-16619 [2,0,0,0,0,0|2,0,0]=4 60 B13R1.511 O=C(O)CCC1=CC=C(O)C(O)=C1 PI-11882 [2,0,0,0,0,0|0,0,0]=2 61 B13R1.511 OC(=O)CCc1ccc(c(c1)F)F PI-21170 [2,0,0,0,0,0|2,0,0]=4 62 B13R1.511 OC(=O)\C=C\c1ccc(c(c1)O)O PI-11525 [2,0,0,0,0,0|0,0,2]=4 63 B13R1.510 C1=CC(=C(C=C1C(C(=O)O)O)O)O PI-27202 [2,0,0,0,0,0|1,0,1]=4 64 B15R1.5521 COC(=O)C(CC1=CC(=C(C=C1)O)I)N PI-31946 [1,1,0,0,0,0|1,0,0]=3 65 B15R1.8394 C1=C(C(=CC(=C1O)O)O)CC(C(=O)O)N PI-27369 [1,1,0,0,0,0|0,0,0]=2 66 B15R1.11316 CC(CC1=CC(=C(C=C1)O)O)(C(=O)O)N PI-12959 [1,1,0,0,0,0|0,0,0]=2 67 B15R1.11316 CC(CC1=CC(=C(C=C1)O)O)(C(=O)O)N PI-15356 [1,1,0,0,0,0|0,0,0]=2 68 B15R1.28955 C1=C(C=C(C(=C1I)O)I)CC(C(=O)O)N PI-16176 [1,1,0,0,0,0|1,0,0]=3 69 B15R1.28955 C1=C(C=C(C(=C1I)O)I)CC(C(=O)O)N PI-50426 [1,1,0,0,0,0|1,0,0]=3