0 B8R1.7 C1C[C@H](C=C1)C(=O)O C54 [0,0,0,0,0,0|2,0,2]=4 1 B8R1.7 N=C(/c1ccsc1)\N TP5 [0,0,0,0,0,0|4,0,0]=4 2 B8R1.7 c1c(ncs1)C(=O)O TZO [0,0,0,0,0,0|3,0,0]=3 3 B8R1.7 c1cc([nH]c1)C(=O)[O-] PYC [0,0,0,0,0,0|2,0,0]=2 4 B8R1.7 c1cc(oc1)C(=O)O FOA [0,0,0,0,0,0|1,0,0]=1 5 B8R1.7 c1cc(sc1)C(=O)O C21 [0,0,0,0,0,0|1,1,0]=2 6 B8R1.7 c1cc(sc1)[N+](=O)[O-] 265 [0,0,0,0,0,0|2,1,0]=3 7 B7R1.1 CCc1[nH]ccn1 2EZ [1,0,0,0,0,0|2,0,1]=4 8 B7R1.1 c1cc(oc1)C=O FU2 [1,0,0,0,0,0|0,0,0]=1 9 B7R1.1 c1csc(n1)C=O KTH [1,0,0,0,0,0|1,1,0]=3 10 B9R1.11 COC(=O)c1cccs1 54D [0,1,0,0,0,0|0,1,0]=2 11 B9R1.11 COC(=O)c1cn[nH]n1 T45 [0,1,0,0,0,0|3,0,0]=4 12 B9R1.19 c1cc(oc1)S(=O)(=O)N EVG [0,1,0,0,0,0|2,0,0]=3 13 B9R1.19 c1cc(sc1)S(=O)(=O)N EVJ [0,1,0,0,0,0|2,1,0]=4 14 B9R1.35 Cc1cc(no1)C(=O)O 02J [0,1,0,0,0,0|3,0,0]=4 15 B9R1.35 Cc1ccc([nH]1)C(=O)O 5M1 [0,1,0,0,0,0|2,0,0]=3 16 B9R1.35 Cc1ccc(o1)C(=O)O 2K1 [0,1,0,0,0,0|1,0,0]=2 17 B9R1.35 Cc1ncc(s1)C(=O)O 6V9 [0,1,0,0,0,0|2,1,0]=4 18 B9R1.35 c1c(coc1C(=O)O)N PJ7 [0,1,0,0,0,0|1,0,0]=2 19 B9R1.35 c1cc(oc1C(=O)O)Br 14J [0,1,0,0,0,0|1,0,0]=2 20 B9R1.35 c1cc(sc1C(=O)N)Cl FQI [0,1,0,0,0,0|1,1,0]=3 21 B9R1.41 Cc1ccsc1C(=O)O 60P [0,1,0,0,0,0|1,1,0]=3 22 B9R1.41 c1[nH]c(c(n1)C(=O)N)N 5AC [0,1,0,0,0,0|3,0,0]=4 23 B7R0.5 C/C=C\C(=O)C(=O)O OXP [0,0,1,0,0,0|1,0,2]=4 24 B7R0.5 CS/C=C(/C(=O)O)\O DEI [0,0,1,0,0,0|2,0,1]=4 25 B9R1.6 CC(=O)c1ccccc1 AC0 [0,0,0,0,0,1|1,0,0]=2 26 B9R1.6 C[C@@H](c1ccccc1)N 98B [0,0,0,0,0,1|2,0,1]=4 27 B9R1.6 C[C@@H](c1ccccc1)O SS1 [0,0,0,0,0,1|1,0,2]=4 28 B9R1.6 C[C@H](c1ccccc1)N QSC [0,0,0,0,0,1|2,0,1]=4 29 B9R1.6 C[C@H](c1ccccc1)O SS2 [0,0,0,0,0,1|1,0,2]=4 30 B9R1.6 N=C(/c1ccccc1)\N BEN [0,0,0,0,0,1|3,0,0]=4 31 B9R1.6 c1cc(cnc1)C(=O)N NCA [0,0,0,0,0,1|2,0,0]=3 32 B9R1.6 c1cc(cnc1)C(=O)O NIO [0,0,0,0,0,1|2,0,0]=3 33 B9R1.6 c1ccc(cc1)C(=N)N BDN [0,0,0,0,0,1|3,0,0]=4 34 B9R1.6 c1ccc(cc1)C(=O)N UNU [0,0,0,0,0,1|2,0,0]=3 35 B9R1.6 c1ccc(cc1)C(=O)O BEZ [0,0,0,0,0,1|2,0,0]=3 36 B9R1.6 c1ccc(cc1)C(=O)O BOX [0,0,0,0,0,1|2,0,0]=3 37 B9R1.6 c1ccc(cc1)C(=[NH2+])N BAM [0,0,0,0,0,1|3,0,0]=4 38 B9R1.6 c1ccc(cc1)[N+](=O)[O-] NBZ [0,0,0,0,0,1|3,0,0]=4 39 B9R1.6 c1ccnc(c1)C(=O)N WM1 [0,0,0,0,0,1|2,0,0]=3 40 B9R1.6 c1ccnc(c1)C(=O)O 6PC [0,0,0,0,0,1|2,0,0]=3 41 B9R1.6 c1cnc(cn1)C(=O)N PZA [0,0,0,0,0,1|2,0,0]=3 42 B9R1.6 c1cnc(cn1)C(=O)O VGL [0,0,0,0,0,1|2,0,0]=3 43 B9R1.6 c1cnccc1C(=N)N NTN [0,0,0,0,0,1|3,0,0]=4 44 B9R1.13 c1cc(sc1)CC(=O)O SPA [0,0,0,0,0,1|1,1,0]=3 45 B6R1.2 Cc1[nH]ccn1 2MZ [2,0,0,0,0,0|2,0,0]=4 46 B6R1.2 Cc1c[nH]cn1 4MZ [2,0,0,0,0,0|2,0,0]=4 47 B6R1.2 Cc1cc[nH]c1 5MP [2,0,0,0,0,0|2,0,0]=4 48 B6R1.2 Cn1cccc1 MR3 [2,0,0,0,0,0|2,0,0]=4 49 B8R0.28 C(\C=C\C(=O)O)C(=O)O G9A [0,1,1,0,0,0|1,0,1]=4 50 B8R1.8 c1cc(oc1)CCN 56T [1,1,0,0,0,0|0,0,1]=3 51 B8R1.8 c1cc(sc1)\C=N/O JZ5 [1,1,0,0,0,0|0,1,1]=4 52 B8R1.11 Cn1cncc1C=O 280 [1,1,0,0,0,0|2,0,0]=4 53 B10R1.13 CC(=O)c1ccc(cc1)Br PBP [0,1,0,0,0,1|1,0,0]=3 54 B10R1.13 CC(=O)c1ccc(cc1)O AC6 [0,1,0,0,0,1|1,0,0]=3 55 B10R1.13 Cc1ccc(cc1)C(=O)O 4MA [0,1,0,0,0,1|2,0,0]=4 56 B10R1.13 c1cc(ccc1C(=O)N)O HBD [0,1,0,0,0,1|2,0,0]=4 57 B10R1.13 c1cc(ccc1C(=O)O)Br Z82 [0,1,0,0,0,1|2,0,0]=4 58 B10R1.13 c1cc(ccc1C(=O)O)Cl 174 [0,1,0,0,0,1|2,0,0]=4 59 B10R1.13 c1cc(ccc1C(=O)O)F 1Y6 [0,1,0,0,0,1|2,0,0]=4 60 B10R1.13 c1cc(ccc1C(=O)O)N PAB [0,1,0,0,0,1|2,0,0]=4 61 B10R1.13 c1cc(ccc1C(=O)O)O PHB [0,1,0,0,0,1|2,0,0]=4 62 B10R1.13 c1cc(ccc1C(=O)O)[Hg] MBO [0,1,0,0,0,1|2,0,0]=4 63 B10R1.13 c1cc(ncc1C(=O)N)N 4FG [0,1,0,0,0,1|2,0,0]=4 64 B10R1.15 CCC(=O)c1ccccc1 I1E [0,1,0,0,0,1|1,0,0]=3 65 B10R1.15 C[C@H](C=O)c1ccccc1 1LP [0,1,0,0,0,1|1,0,1]=4 66 B10R1.15 N=N\C(=O)c1ccncc1 ISZ [0,1,0,0,0,1|2,0,0]=4 67 B10R1.15 c1ccc(cc1)C(=O)CO HXT [0,1,0,0,0,1|1,0,0]=3 68 B10R1.15 c1ccc(cc1)C(=O)NN WM4 [0,1,0,0,0,1|2,0,0]=4 69 B10R1.15 c1ccc(cc1)C(=O)NO BHO [0,1,0,0,0,1|2,0,0]=4 70 B10R1.15 c1cnccc1C(=O)NN NIZ [0,1,0,0,0,1|2,0,0]=4 71 B10R1.28 CS(=O)(=O)c1ccccc1 SML [0,1,0,0,0,1|2,0,0]=4 72 B10R1.61 C1=CNC(=O)C(=C1)C(=O)O ES6 [0,1,0,0,0,1|2,0,0]=4 73 B10R1.61 CC(=O)c1ccccc1N VNJ [0,1,0,0,0,1|1,0,0]=3 74 B10R1.61 Cc1ccccc1C(=O)O 3SK [0,1,0,0,0,1|2,0,0]=4 75 B10R1.61 c1c(c(ncn1)C(=O)O)Cl 6SM [0,1,0,0,0,1|2,0,0]=4 76 B10R1.61 c1cc(c(nc1)C(=O)O)O MHW [0,1,0,0,0,1|2,0,0]=4 77 B10R1.61 c1cc(c(nc1)C(=O)O)S 1WD [0,1,0,0,0,1|2,0,0]=4 78 B10R1.61 c1ccc(c(c1)C(=O)N)N 2AE [0,1,0,0,0,1|2,0,0]=4 79 B10R1.61 c1ccc(c(c1)C(=O)N)O OHB [0,1,0,0,0,1|2,0,0]=4 80 B10R1.61 c1ccc(c(c1)C(=O)O)F 3U4 [0,1,0,0,0,1|2,0,0]=4 81 B10R1.61 c1ccc(c(c1)C(=O)O)N 6AB [0,1,0,0,0,1|2,0,0]=4 82 B10R1.61 c1ccc(c(c1)C(=O)O)N BE2 [0,1,0,0,0,1|2,0,0]=4 83 B10R1.61 c1ccc(c(c1)C(=O)O)O SAL [0,1,0,0,0,1|2,0,0]=4 84 B10R1.61 c1ccc(c(c1)C(=O)O)S JKE [0,1,0,0,0,1|2,0,0]=4 85 B10R1.61 c1cncc(c1C(=O)O)N 4SV [0,1,0,0,0,1|2,0,0]=4 86 B10R1.113 CC(=O)c1cccc(c1)N 3AO [0,1,0,0,0,1|1,0,0]=3 87 B10R1.113 CC(=O)c1cccc(c1)O 53C [0,1,0,0,0,1|1,0,0]=3 88 B10R1.113 c1c(cncc1Br)C(=O)N BRT [0,1,0,0,0,1|2,0,0]=4 89 B10R1.113 c1c(cncc1O)C(=O)O 5HN [0,1,0,0,0,1|2,0,0]=4 90 B10R1.113 c1cc(cc(c1)Cl)C(=O)N WCE [0,1,0,0,0,1|2,0,0]=4 91 B10R1.113 c1cc(cc(c1)Cl)C(=O)O 3BZ [0,1,0,0,0,1|2,0,0]=4 92 B10R1.113 c1cc(cc(c1)N)C(=O)N 3AB [0,1,0,0,0,1|2,0,0]=4 93 B10R1.113 c1cc(cc(c1)N)C(=O)O GAB [0,1,0,0,0,1|2,0,0]=4 94 B10R1.113 c1cc(cc(c1)O)C(=O)O 3HB [0,1,0,0,0,1|2,0,0]=4 95 B10R1.113 c1cc(nc(c1)O)C(=O)O 53B [0,1,0,0,0,1|2,0,0]=4 96 B10R1.54 C1=CC(=O)O[C@H]1CC(=O)O MUC [0,1,0,0,0,1|1,0,1]=4 97 B10R1.54 Cc1csc(n1)NC(=O)C 6T4 [0,1,0,0,0,1|1,1,0]=4 98 B10R1.59 Cn1cc(cc1C(=O)O)N PYB [0,2,0,0,0,0|2,0,0]=4 99 B8R1.4 Cc1cccc(c1)O CRS [0,0,1,1,0,0|1,0,0]=3 100 B8R1.4 Cc1cccc(c1)S M3T [0,0,1,1,0,0|1,1,0]=4 101 B8R1.4 Cc1cccc(n1)N 71M [0,0,1,1,0,0|2,0,0]=4 102 B8R1.4 c1cc(cc(c1)Br)O B3R [0,0,1,1,0,0|1,0,1]=4 103 B8R1.4 c1cc(cc(c1)Cl)O 3CH [0,0,1,1,0,0|1,0,1]=4 104 B8R1.4 c1cc(cc(c1)O)O RCO [0,0,1,1,0,0|0,0,2]=4 105 B8R1.5 Cc1ccccc1C OXE [0,0,1,1,0,0|2,0,0]=4 106 B8R1.5 Cc1ccccc1I 2IB [0,0,1,1,0,0|2,0,0]=4 107 B8R1.5 Cc1ccccc1N 51V [0,0,1,1,0,0|2,0,0]=4 108 B8R1.5 Cc1ccccc1O JZ0 [0,0,1,1,0,0|1,0,0]=3 109 B8R1.5 c1cc(c(nc1)O)O 8LG [0,0,1,1,0,0|1,0,1]=4 110 B8R1.5 c1ccc(c(c1)N)O 2AF [0,0,1,1,0,0|1,0,1]=4 111 B8R1.5 c1ccc(c(c1)O)Br 2BR [0,0,1,1,0,0|1,0,1]=4 112 B8R1.5 c1ccc(c(c1)O)Cl 2CH [0,0,1,1,0,0|1,0,1]=4 113 B8R1.5 c1ccc(c(c1)O)F FP2 [0,0,1,1,0,0|1,0,1]=4 114 B8R1.5 c1ccc(c(c1)O)I 6X8 [0,0,1,1,0,0|1,0,1]=4 115 B8R1.5 c1ccc(c(c1)O)O CAQ [0,0,1,1,0,0|0,0,2]=4 116 B8R1.5 c1ccc(c(c1)O)S HTS [0,0,1,1,0,0|0,1,1]=4 117 B8R1.2 C=Cc1ccccc1 SYN [1,0,0,0,0,1|1,0,1]=4 118 B8R1.2 CCc1ccccc1 N2B [1,0,0,0,0,1|1,0,1]=4 119 B8R1.2 CCc1ccccc1 PYJ [1,0,0,0,0,1|1,0,1]=4 120 B8R1.2 CNc1ccccc1 1MR [1,0,0,0,0,1|2,0,0]=4 121 B8R1.2 COc1cccnc1 282 [1,0,0,0,0,1|2,0,0]=4 122 B8R1.2 CSc1ccccc1 16R [1,0,0,0,0,1|2,0,0]=4 123 B8R1.2 c1ccc(cc1)C=O HBX [1,0,0,0,0,1|1,0,0]=3 124 B8R1.2 c1ccc(cc1)N=O NBE [1,0,0,0,0,1|2,0,0]=4 125 B8R1.2 c1ccc(cc1)[As]=O PA0 [1,0,0,0,0,1|2,0,0]=4 126 B10R1.18 CC(=O)Oc1ccccc1 QY9 [0,0,0,0,0,2|1,0,0]=3 127 B10R1.18 c1ccc(cc1)CC(=O)O PAC [0,0,0,0,0,2|2,0,0]=4 128 B10R1.18 c1ccc(cc1)NC(=O)N PHU [0,0,0,0,0,2|2,0,0]=4 129 B10R1.66 c1cc(oc1)CCC(=O)O 6O5 [0,0,0,0,0,2|1,0,0]=3