0 B5R1.1 C1C=CCN1 LS20566 [0,0,0,0,0,0|0,0,2]=2 1 B5R1.1 c1c[nH]nc1 LS21032 [0,0,0,0,0,0|1,0,0]=1 2 B5R1.1 c1cnoc1 LS21145 [0,0,0,0,0,0|1,0,1]=2 3 B5R1.1 c1cnsc1 LS21251 [0,0,0,0,0,0|1,0,1]=2 4 B6R1.2 C1CNCC1=O LS20898 [0,1,0,0,0,0|0,0,3]=4 5 B6R1.2 Cc1[nH]ccn1 LS20670 [0,1,0,0,0,0|1,0,0]=2 6 B6R1.2 Cc1c[nH]nc1 LS20097 [0,1,0,0,0,0|1,0,0]=2 7 B6R1.2 Cc1cc[nH]n1 LS20095 [0,1,0,0,0,0|1,0,0]=2 8 B6R1.2 Cc1cccs1 LS20640 [0,1,0,0,0,0|1,0,0]=2 9 B6R1.2 Cc1cnoc1 LS20829 [0,1,0,0,0,0|1,0,1]=3 10 B6R1.2 Cn1cccn1 LS20706 [0,1,0,0,0,0|1,0,0]=2 11 B6R1.2 Cn1ccnc1 LS20202 [0,1,0,0,0,0|1,0,0]=2 12 B6R1.2 Cn1cnnc1 LS20844 [0,1,0,0,0,0|2,0,0]=3 13 B6R1.2 c1c(nc[nH]1)Br LS20192 [0,1,0,0,0,0|1,0,0]=2 14 B6R1.2 c1c(ncs1)Cl LS21055 [0,1,0,0,0,0|1,0,1]=3 15 B6R1.2 c1c(snn1)N LS20079 [0,1,0,0,0,0|2,0,1]=4 16 B6R1.2 c1c[nH]nc1N LS20237 [0,1,0,0,0,0|1,0,0]=2 17 B6R1.2 c1cc(sc1)Br LS20644 [0,1,0,0,0,0|1,0,0]=2 18 B6R1.2 c1cc(sc1)Cl LS21132 [0,1,0,0,0,0|1,0,0]=2 19 B6R1.2 c1cc(sc1)S LS21100 [0,1,0,0,0,0|1,0,0]=2 20 B6R1.2 c1cnsc1N LS20872 [0,1,0,0,0,0|1,0,1]=3 21 B6R1.2 c1coc(=O)o1 LS40378 [0,1,0,0,0,0|2,0,0]=3 22 B6R1.2 c1cocc1Br LS20289 [0,1,0,0,0,0|1,0,0]=2 23 B6R1.2 c1conc1N LS20282 [0,1,0,0,0,0|1,0,1]=3 24 B6R1.2 c1cscc1Br LS20645 [0,1,0,0,0,0|1,0,0]=2 25 B6R1.2 c1nc([nH]n1)Br LS20203 [0,1,0,0,0,0|2,0,0]=3 26 B6R1.2 c1nc(sn1)N LS20176 [0,1,0,0,0,0|2,0,1]=4 27 B6R1.2 c1nnc(s1)Br LS21095 [0,1,0,0,0,0|2,0,1]=4 28 B6R1.2 c1nncn1N LS40427 [0,1,0,0,0,0|2,0,0]=3 29 B4R0.2 C=CCCBr LS20765 [0,0,1,0,0,0|1,0,2]=4 30 B4R0.2 C=CCCO LS40761 [0,0,1,0,0,0|1,0,2]=4 31 B6R1.1 c1cc[nH+]cc1 LS00013 [0,0,0,0,0,1|0,0,1]=2 32 B6R1.1 c1ccncc1 LS40760 [0,0,0,0,0,1|0,0,1]=2 33 B6R1.1 c1cnccn1 LS20037 [0,0,0,0,0,1|0,0,1]=2 34 B6R1.1 c1cncnc1 LS20614 [0,0,0,0,0,1|0,0,1]=2 35 B7R1.3 c1c(cncn1)Br LS21249 [0,1,0,0,0,1|0,0,1]=3 36 B7R1.3 c1c(cncn1)Cl LS20622 [0,1,0,0,0,1|0,0,1]=3 37 B7R1.3 c1c(cncn1)F LS20621 [0,1,0,0,0,1|0,0,1]=3 38 B7R1.3 c1cc(cnc1)Br LS20426 [0,1,0,0,0,1|0,0,1]=3 39 B7R1.3 c1cc(cnc1)F LS20779 [0,1,0,0,0,1|0,0,1]=3 40 B7R1.3 c1cc[nH]c(=O)c1 LS41474 [0,1,0,0,0,1|0,0,0]=2 41 B7R1.3 c1ccnc(c1)Br LS20874 [0,1,0,0,0,1|0,0,1]=3 42 B7R1.3 c1ccnc(c1)F LS20778 [0,1,0,0,0,1|0,0,1]=3 43 B7R1.3 c1ccnc(c1)N LS20582 [0,1,0,0,0,1|0,0,1]=3 44 B7R1.3 c1cnc(cn1)Cl LS20940 [0,1,0,0,0,1|0,0,1]=3 45 B7R1.3 c1cnc(nc1)N LS20478 [0,1,0,0,0,1|0,0,1]=3 46 B7R1.3 c1cnccc1F LS40545 [0,1,0,0,0,1|0,0,1]=3 47 B7R1.3 c1cnccc1N LS20499 [0,1,0,0,0,1|0,0,1]=3 48 B7R1.3 c1cnccc1O LS21099 [0,1,0,0,0,1|0,0,1]=3 49 B7R1.1 C=Cn1ccnc1 LS21038 [0,2,0,0,0,0|1,0,0]=3 50 B7R1.1 CCc1[nH]ccn1 LS20052 [0,2,0,0,0,0|1,0,0]=3 51 B7R1.1 c1c(nc[nH]1)C=O LS20992 [0,2,0,0,0,0|1,0,0]=3 52 B7R1.1 c1c(nc[nH]1)CO LS20464 [0,2,0,0,0,0|1,0,0]=3 53 B7R1.1 c1c(ncs1)C=O LS21128 [0,2,0,0,0,0|1,0,1]=4 54 B7R1.1 c1c(ncs1)CCl LS21096 [0,2,0,0,0,0|1,0,1]=4 55 B7R1.1 c1c(ncs1)CN LS21063 [0,2,0,0,0,0|1,0,1]=4 56 B7R1.1 c1cc([nH]c1)C=O LS00119 [0,2,0,0,0,0|0,0,0]=2 57 B7R1.1 c1cc(sc1)C=O LS40350 [0,2,0,0,0,0|1,0,0]=3 58 B7R1.1 c1cc(sc1)CO LS20642 [0,2,0,0,0,0|1,0,0]=3 59 B7R1.1 c1cn(cn1)CO LS20270 [0,2,0,0,0,0|1,0,0]=3 60 B7R1.1 c1cnc([nH]1)C=O LS20564 [0,2,0,0,0,0|1,0,0]=3 61 B7R1.1 c1csc(n1)C=O LS20580 [0,2,0,0,0,0|1,0,1]=4 62 B7R1.1 c1csc(n1)CN LS21076 [0,2,0,0,0,0|1,0,1]=4 63 B7R1.1 c1cscc1C=O LS20646 [0,2,0,0,0,0|1,0,0]=3 64 B7R1.2 Cc1cc(cs1)Br LS20656 [0,2,0,0,0,0|1,0,0]=3 65 B7R1.2 Cc1cc(no1)N LS21146 [0,2,0,0,0,0|1,0,1]=4 66 B7R1.2 Cc1ccc(s1)Br LS20655 [0,2,0,0,0,0|1,0,0]=3 67 B7R1.2 Cc1ccc(s1)C LS20641 [0,2,0,0,0,0|1,0,0]=3 68 B7R1.2 Cc1ccc(s1)Cl LS20653 [0,2,0,0,0,0|1,0,0]=3 69 B7R1.2 Cc1ccn(n1)C LS20249 [0,2,0,0,0,0|1,0,0]=3 70 B7R1.2 Cc1cnc(s1)N LS20937 [0,2,0,0,0,0|1,0,1]=4 71 B7R1.2 Cn1ccc(n1)N LS20251 [0,2,0,0,0,0|1,0,0]=3 72 B7R1.2 c1(nc([nH]n1)S)N LS21153 [0,2,0,0,0,0|2,0,0]=4 73 B7R1.2 c1c(n[nH]c1O)N LS20240 [0,2,0,0,0,0|1,0,0]=3 74 B7R1.2 c1c(nc(s1)Br)Br LS21075 [0,2,0,0,0,0|1,0,1]=4 75 B7R1.2 c1c(nc(s1)Br)N LS21089 [0,2,0,0,0,0|1,0,1]=4 76 B7R1.2 c1c(sc(n1)Br)Br LS21079 [0,2,0,0,0,0|1,0,1]=4 77 B7R1.2 c1c(sc(n1)Br)N LS21068 [0,2,0,0,0,0|1,0,1]=4 78 B7R1.2 c1c(sc(n1)N)Br LS21053 [0,2,0,0,0,0|1,0,1]=4 79 B7R1.2 c1cc(sc1Br)Br LS20657 [0,2,0,0,0,0|1,0,0]=3 80 B7R1.4 Cc1c(nc[nH]1)C LS20271 [0,2,0,0,0,0|1,0,0]=3 81 B7R1.4 Cc1ccsc1Br LS20654 [0,2,0,0,0,0|1,0,0]=3 82 B7R1.4 Cc1ccsc1Cl LS20652 [0,2,0,0,0,0|1,0,0]=3 83 B7R1.4 Cn1c(ccn1)N LS20177 [0,2,0,0,0,0|1,0,0]=3