0 B7R1.1 C=C[n+]1cc[nH]c1 NVI [0,0,0,0,0,0|4,0,0]=4 1 B7R1.1 CCc1[nH]ccn1 2EZ [0,0,0,0,0,0|3,0,1]=4 2 B7R1.1 c1c([nH]cn1)CO MZ0 [0,0,0,0,0,0|2,0,2]=4 3 B7R1.1 c1cc(oc1)C=O FU2 [0,0,0,0,0,0|0,0,0]=0 4 B7R1.1 c1cnc([nH]1)CO BVG [0,0,0,0,0,0|2,0,2]=4 5 B7R1.1 c1csc(n1)C=O KTH [0,0,0,0,0,0|1,1,0]=2 6 B7R1.1 c1cscc1CN BVC [0,0,0,0,0,0|3,0,1]=4 7 B6R1.2 C1=CNC(=S)N1 MZY [1,0,0,0,0,0|2,1,0]=4 8 B6R1.2 C1CC(=O)OC1 GBL [1,0,0,0,0,0|0,0,3]=4 9 B6R1.2 Cc1[nH]ccn1 2MZ [1,0,0,0,0,0|2,0,1]=4 10 B6R1.2 Cc1c[nH]cn1 4MZ [1,0,0,0,0,0|2,0,1]=4 11 B6R1.2 Cc1cc[nH]c1 5MP [1,0,0,0,0,0|2,0,1]=4 12 B6R1.2 Cn1cccc1 MR3 [1,0,0,0,0,0|2,0,1]=4 13 B6R1.2 c1c(nc[nH]1)Br ES3 [1,0,0,0,0,0|3,0,0]=4 14 B6R1.2 c1cn[nH]c1N 3AX [1,0,0,0,0,0|3,0,0]=4 15 B6R1.2 c1cnc([nH]1)Cl 5KX [1,0,0,0,0,0|3,0,0]=4 16 B6R1.2 c1cnc([nH]1)N 2AI [1,0,0,0,0,0|3,0,0]=4 17 B6R1.2 c1csc(n1)N AMT [1,0,0,0,0,0|2,1,0]=4 18 B8R1.7 C1C[C@H](C=C1)C(=O)O C54 [0,1,0,0,0,0|1,0,2]=4 19 B8R1.7 N=C(/c1ccsc1)\N TP5 [0,1,0,0,0,0|3,0,0]=4 20 B8R1.7 c1c(ncs1)C(=O)O TZO [0,1,0,0,0,0|2,0,0]=3 21 B8R1.7 c1cc([nH]c1)C(=O)[O-] PYC [0,1,0,0,0,0|1,0,0]=2 22 B8R1.7 c1cc(oc1)C(=O)O FOA [0,1,0,0,0,0|0,0,0]=1 23 B8R1.7 c1cc(sc1)C(=O)O C21 [0,1,0,0,0,0|0,1,0]=2 24 B8R1.7 c1cc(sc1)[N+](=O)[O-] 265 [0,1,0,0,0,0|1,1,0]=3 25 B8R1.8 c1cc(oc1)CCN 56T [0,1,0,0,0,0|1,0,1]=3 26 B8R1.8 c1cc(sc1)\C=N/O JZ5 [0,1,0,0,0,0|0,1,1]=3 27 B8R1.11 Cc1ccsc1CN 02T [0,1,0,0,0,0|1,1,1]=4 28 B8R1.11 Cn1cccc1CN 278 [0,1,0,0,0,0|2,0,1]=4 29 B8R1.11 Cn1cncc1C=O 280 [0,1,0,0,0,0|2,0,0]=3 30 B8R1.2 C=Cc1ccccc1 SYN [0,0,0,0,0,1|2,0,0]=3 31 B8R1.2 CCc1ccccc1 N2B [0,0,0,0,0,1|2,0,1]=4 32 B8R1.2 CCc1ccccc1 PYJ [0,0,0,0,0,1|2,0,1]=4 33 B8R1.2 CNc1ccccc1 1MR [0,0,0,0,0,1|3,0,0]=4 34 B8R1.2 COc1cccnc1 282 [0,0,0,0,0,1|3,0,0]=4 35 B8R1.2 CSc1ccccc1 16R [0,0,0,0,0,1|3,0,0]=4 36 B8R1.2 c1cc(cnc1)CN 0YC [0,0,0,0,0,1|2,0,1]=4 37 B8R1.2 c1cc(cnc1)CO PYF [0,0,0,0,0,1|1,0,2]=4 38 B8R1.2 c1cc(cnc1)CS PY2 [0,0,0,0,0,1|1,1,1]=4 39 B8R1.2 c1ccc(cc1)C=O HBX [0,0,0,0,0,1|1,0,0]=2 40 B8R1.2 c1ccc(cc1)CCl 9CL [0,0,0,0,0,1|2,0,1]=4 41 B8R1.2 c1ccc(cc1)CN ABN [0,0,0,0,0,1|2,0,1]=4 42 B8R1.2 c1ccc(cc1)CO 010 [0,0,0,0,0,1|1,0,2]=4 43 B8R1.2 c1ccc(cc1)N=O NBE [0,0,0,0,0,1|2,0,0]=3 44 B8R1.2 c1ccc(cc1)NN PHZ [0,0,0,0,0,1|3,0,0]=4 45 B8R1.2 c1ccc(cc1)[As]=O PA0 [0,0,0,0,0,1|2,0,0]=3 46 B8R1.2 c1ccnc(c1)CN APY [0,0,0,0,0,1|2,0,1]=4 47 B8R1.2 c1cnccc1CN NNW [0,0,0,0,0,1|2,0,1]=4 48 B8R1.2 c1cnccc1CO PY7 [0,0,0,0,0,1|1,0,2]=4 49 B5R0.1 CC=CC(=O)O BEO [1,0,1,0,0,0|0,0,1]=3 50 B5R0.2 C(=CC=O)C=O 2FU [1,0,1,0,0,0|0,0,1]=3 51 B5R1.1 c1c[nH+]c[nH]1 IMD [2,0,0,0,0,0|2,0,0]=4 52 B5R1.1 c1c[nH]nc1 PZO [2,0,0,0,0,0|2,0,0]=4 53 B5R1.1 c1cscn1 LOM [2,0,0,0,0,0|1,1,0]=4 54 B7R0.5 C/C=C\C(=O)C(=O)O OXP [0,1,1,0,0,0|0,0,2]=4 55 B7R0.5 CS/C=C(/C(=O)O)\O DEI [0,1,1,0,0,0|1,0,1]=4 56 B7R1.2 Cc1cc(no1)N M3I [1,1,0,0,0,0|1,0,1]=4 57 B7R1.2 Cc1cc(on1)N MIO [1,1,0,0,0,0|2,0,0]=4 58 B9R1.1 C=Cc1ccc(cc1)O 4VP [0,1,0,0,0,1|2,0,0]=4 59 B9R1.1 c1cc(ccc1C=O)O HBA [0,1,0,0,0,1|1,0,0]=3 60 B9R1.6 CC(=O)c1ccccc1 AC0 [0,1,0,0,0,1|1,0,0]=3 61 B9R1.6 N=C(/c1ccccc1)\N BEN [0,1,0,0,0,1|2,0,0]=4 62 B9R1.6 c1cc(cnc1)C(=O)N NCA [0,1,0,0,0,1|1,0,0]=3 63 B9R1.6 c1cc(cnc1)C(=O)O NIO [0,1,0,0,0,1|1,0,0]=3 64 B9R1.6 c1ccc(cc1)C(=N)N BDN [0,1,0,0,0,1|2,0,0]=4 65 B9R1.6 c1ccc(cc1)C(=O)N UNU [0,1,0,0,0,1|1,0,0]=3 66 B9R1.6 c1ccc(cc1)C(=O)O BEZ [0,1,0,0,0,1|1,0,0]=3 67 B9R1.6 c1ccc(cc1)C(=O)O BOX [0,1,0,0,0,1|1,0,0]=3 68 B9R1.6 c1ccc(cc1)C(=[NH2+])N BAM [0,1,0,0,0,1|2,0,0]=4 69 B9R1.6 c1ccc(cc1)[N+](=O)[O-] NBZ [0,1,0,0,0,1|2,0,0]=4 70 B9R1.6 c1ccnc(c1)C(=O)N WM1 [0,1,0,0,0,1|1,0,0]=3 71 B9R1.6 c1ccnc(c1)C(=O)O 6PC [0,1,0,0,0,1|1,0,0]=3 72 B9R1.6 c1cnc(cn1)C(=O)N PZA [0,1,0,0,0,1|1,0,0]=3 73 B9R1.6 c1cnc(cn1)C(=O)O VGL [0,1,0,0,0,1|1,0,0]=3 74 B9R1.6 c1cnccc1C(=N)N NTN [0,1,0,0,0,1|2,0,0]=4 75 B9R1.8 c1ccc(cc1)CC=O HY1 [0,1,0,0,0,1|1,0,0]=3 76 B9R1.8 c1ccc(cc1)NC=O FAN [0,1,0,0,0,1|1,0,0]=3 77 B9R1.8 c1ccc(cc1)NC=S 0FI [0,1,0,0,0,1|1,1,0]=4 78 B9R1.15 C[n+]1ccccc1C=C 286 [0,1,0,0,0,1|2,0,0]=4 79 B9R1.15 c1ccc(c(c1)C=O)O NK [0,1,0,0,0,1|1,0,0]=3 80 B9R1.21 c1cc(oc1CO)C=O FUX [0,2,0,0,0,0|0,0,0]=2 81 B9R1.35 Cc1cc(no1)C(=O)O 02J [0,2,0,0,0,0|2,0,0]=4 82 B9R1.35 Cc1ccc([nH]1)C(=O)O 5M1 [0,2,0,0,0,0|1,0,0]=3 83 B9R1.35 Cc1ccc(o1)C(=O)O 2K1 [0,2,0,0,0,0|0,0,0]=2 84 B9R1.35 Cc1ncc(s1)C(=O)O 6V9 [0,2,0,0,0,0|1,1,0]=4 85 B9R1.35 c1c(coc1C(=O)O)N PJ7 [0,2,0,0,0,0|0,0,0]=2 86 B9R1.35 c1cc(oc1C(=O)O)Br 14J [0,2,0,0,0,0|0,0,0]=2 87 B9R1.35 c1cc(sc1C(=O)N)Cl FQI [0,2,0,0,0,0|0,1,0]=3 88 B9R1.11 COC(=O)c1cccs1 54D [0,2,0,0,0,0|0,1,0]=3 89 B9R1.19 c1cc(oc1)S(=O)(=O)N EVG [0,2,0,0,0,0|1,0,0]=3 90 B9R1.19 c1cc(sc1)S(=O)(=O)N EVJ [0,2,0,0,0,0|1,1,0]=4 91 B9R1.41 Cc1ccsc1C(=O)O 60P [0,2,0,0,0,0|0,1,0]=3 92 B9R1.41 c1[nH]c(c(n1)C(=O)N)N 5AC [0,2,0,0,0,0|2,0,0]=4 93 B9R1.12 c1cc(oc1)C\N=C/S 31E [0,2,0,0,0,0|0,1,0]=3 94 B9R1.13 c1cc(sc1)CC(=O)O SPA [0,2,0,0,0,0|0,1,0]=3 95 B7R1.3 Cc1ccccc1 MBN [0,0,1,1,0,0|2,0,0]=4 96 B7R1.3 Cc1cccnc1 3MP [0,0,1,1,0,0|2,0,0]=4 97 B7R1.3 c1cc(c[nH+]c1)N 3AP [0,0,1,1,0,0|2,0,0]=4 98 B7R1.3 c1cc(cnc1)O 71A [0,0,1,1,0,0|1,0,0]=3 99 B7R1.3 c1ccc(cc1)Cl 8CL [0,0,1,1,0,0|2,0,0]=4 100 B7R1.3 c1ccc(cc1)I PIH [0,0,1,1,0,0|2,0,0]=4 101 B7R1.3 c1ccc(cc1)N ANL [0,0,1,1,0,0|2,0,0]=4 102 B7R1.3 c1ccc(cc1)O IPH [0,0,1,1,0,0|1,0,0]=3 103 B7R1.3 c1ccc(cc1)S BT6 [0,0,1,1,0,0|1,1,0]=4 104 B7R1.3 c1ccc(cc1)[Hg] PHG [0,0,1,1,0,0|2,0,0]=4 105 B9R2.3 c1csc2c1scc2 J1Z [0,1,0,1,0,0|0,2,0]=4