0 B6R1.2 c1[nH]c(nn1)Cl bd016 [0,0,0,0,0,0|4,0,0]=4 1 B6R1.2 c1c(ocn1)N un287 [0,0,0,0,0,0|3,0,0]=3 2 B6R1.2 c1c[nH]nc1Br ct455 [0,0,0,0,0,0|3,0,0]=3 3 B6R1.2 c1cc(sc1)N un070de1 [0,0,0,0,0,0|4,0,0]=4 4 B6R1.2 c1cscc1N un070 [0,0,0,0,0,0|3,0,0]=3 5 B7R1.1 C1CC=C(C1)CBr bclit001de5lit11 [0,1,0,0,0,0|2,0,1]=4 6 B7R1.1 C1CC=C(C1)CO bclit001de5lit10 [0,1,0,0,0,0|2,0,1]=4 7 B7R1.1 C=Cc1ccsc1 a214 [0,1,0,0,0,0|2,0,1]=4 8 B7R1.1 c1cocc1CBr fpzz0131fp1 [0,1,0,0,0,0|2,0,0]=3 9 B7R1.2 Cc1[nH]c(nn1)Cl bd017 [0,1,0,0,0,0|3,0,0]=4 10 B7R1.2 Cc1c[nH]c(=O)[nH]1 ct260 [0,1,0,0,0,0|2,0,0]=3 11 B7R1.2 Cc1cc(cs1)N un070de2 [0,1,0,0,0,0|3,0,0]=4 12 B7R1.4 Cc1cscc1N un070de3 [0,1,0,0,0,0|2,0,0]=3 13 B5R0.3 CC(C=O)C=O un212vp1de2 [0,0,1,0,0,0|2,0,1]=4 14 B7R1.3 c1cc(nnc1)O jg113 [0,0,0,0,0,1|3,0,0]=4 15 B7R1.3 c1cnncc1N ct267 [0,0,0,0,0,1|1,0,1]=3 16 B4R0.2 C(=C/N)/C=O ct360de2lit4 [1,0,1,0,0,0|1,0,0]=3 17 B6R0.9 CC\C(=C/C)\C=O fpzz0080fp3 [0,1,1,0,0,0|2,0,0]=4 18 B6R0.9 CC\C(=C\N)\C=O ct360de2lit5 [0,1,1,0,0,0|1,0,0]=3 19 B8R1.2 CSc1nccnn1 ct442 [0,1,0,0,0,1|2,0,0]=4 20 B8R1.2 c1cc(cnc1)CI cic018 [0,1,0,0,0,1|1,0,0]=3 21 B8R1.2 c1cc(nnc1)CO a065vp [0,1,0,0,0,1|2,0,0]=4 22 B8R1.2 c1ccc(cc1)CI a245 [0,1,0,0,0,1|2,0,0]=4 23 B8R1.2 c1cncnc1C=O a249 [0,1,0,0,0,1|1,0,1]=4 24 B8R1.3 Cc1ccc(cn1)Br cdp145 [0,1,0,0,0,1|2,0,0]=4 25 B8R1.3 Cc1ccc(cn1)I cdp146fp3 [0,1,0,0,0,1|2,0,0]=4 26 B8R1.3 Cc1ccc(nc1)I fpzz0302fp5 [0,1,0,0,0,1|1,0,0]=3 27 B8R1.3 Cc1ccc(nc1)O cdp139 [0,1,0,0,0,1|1,0,0]=3 28 B8R1.3 Cc1cnc(nc1)O ct360de2 [0,1,0,0,0,1|0,0,1]=3 29 B8R1.3 Cc1ncc(cn1)Cl ct356de4 [0,1,0,0,0,1|1,0,1]=4 30 B8R1.3 Cc1ncc(cn1)O ct360de4 [0,1,0,0,0,1|1,0,1]=4 31 B8R1.3 c1cc(ncc1Br)F a115 [0,1,0,0,0,1|2,0,0]=4 32 B8R1.3 c1cc(ncc1Br)S cdp157de10 [0,1,0,0,0,1|2,0,0]=4 33 B8R1.3 c1cc(ncc1Cl)F cdp141 [0,1,0,0,0,1|2,0,0]=4 34 B8R1.3 c1cc(ncc1Cl)S cdp157de9 [0,1,0,0,0,1|2,0,0]=4 35 B8R1.3 c1cc(ncc1F)Cl cdp168 [0,1,0,0,0,1|2,0,0]=4 36 B8R1.3 c1cc(ncc1F)F cdp182 [0,1,0,0,0,1|2,0,0]=4 37 B8R1.3 c1cc(ncc1F)I un137 [0,1,0,0,0,1|2,0,0]=4 38 B8R1.3 c1cc(ncc1F)N cdp161 [0,1,0,0,0,1|2,0,0]=4 39 B8R1.3 c1cc(ncc1I)S cdp157de11 [0,1,0,0,0,1|2,0,0]=4 40 B8R1.3 c1cc(ncc1N)F cdp142 [0,1,0,0,0,1|2,0,0]=4 41 B8R1.3 c1cc(ncc1N)O f009 [0,1,0,0,0,1|2,0,0]=4 42 B8R1.3 c1cc(ncc1N)S cdp157de15 [0,1,0,0,0,1|2,0,0]=4 43 B8R1.3 c1cc(ncc1O)Cl cdp172 [0,1,0,0,0,1|2,0,0]=4 44 B8R1.3 c1cc(ncc1O)O f011 [0,1,0,0,0,1|2,0,0]=4 45 B8R1.4 Cc1cc(ccn1)Br cdp107 [0,1,0,0,0,1|2,0,0]=4 46 B8R1.4 Cc1cc(ccn1)Cl cdp080 [0,1,0,0,0,1|2,0,0]=4 47 B8R1.4 Cc1cc(ccn1)F cdp075 [0,1,0,0,0,1|2,0,0]=4 48 B8R1.4 Cc1cc(ccn1)I cdp316fp1 [0,1,0,0,0,1|2,0,0]=4 49 B8R1.4 Cc1cc(ccn1)O cdp100 [0,1,0,0,0,1|2,0,0]=4 50 B8R1.4 Cc1cc(cnc1)Br cdp226 [0,1,0,0,0,1|1,0,0]=3 51 B8R1.4 Cc1cc(cnc1)Cl cdp237 [0,1,0,0,0,1|1,0,0]=3 52 B8R1.4 Cc1cc(cnc1)F cdp222 [0,1,0,0,0,1|1,0,0]=3 53 B8R1.4 Cc1cc(cnc1)I cdp146fp3de1 [0,1,0,0,0,1|1,0,0]=3 54 B8R1.4 Cc1cc(cnc1)N cdp227 [0,1,0,0,0,1|1,0,0]=3 55 B8R1.4 Cc1cc(cnc1)O cdp244 [0,1,0,0,0,1|1,0,0]=3 56 B8R1.4 Cc1cc(ncn1)Br ct356de11 [0,1,0,0,0,1|1,0,0]=3 57 B8R1.4 Cc1cc(ncn1)Cl ct356 [0,1,0,0,0,1|1,0,0]=3 58 B8R1.4 Cc1cc(ncn1)N ct356fp4 [0,1,0,0,0,1|1,0,0]=3 59 B8R1.4 Cc1cc(ncn1)O ct360 [0,1,0,0,0,1|1,0,0]=3 60 B8R1.4 Cc1cccc(n1)I rp205 [0,1,0,0,0,1|2,0,0]=4 61 B8R1.4 Cc1cccc(n1)O cdp208 [0,1,0,0,0,1|2,0,0]=4 62 B8R1.4 Cc1ccnc(c1)I cdp146fp3de2 [0,1,0,0,0,1|1,0,0]=3 63 B8R1.4 Cc1ccnc(c1)S cdp200de1 [0,1,0,0,0,1|1,0,0]=3 64 B8R1.4 c1c(cn[nH]c1=O)I fpzz0082fp13 [0,1,0,0,0,1|1,0,0]=3 65 B8R1.4 c1c(cncc1Br)Cl cdp245 [0,1,0,0,0,1|2,0,0]=4 66 B8R1.4 c1c(cncc1Br)F a114 [0,1,0,0,0,1|2,0,0]=4 67 B8R1.4 c1c(cncc1Cl)N cdp239 [0,1,0,0,0,1|2,0,0]=4 68 B8R1.4 c1c(cncc1F)O cdp249 [0,1,0,0,0,1|2,0,0]=4 69 B8R1.4 c1c(cncc1I)I rp068 [0,1,0,0,0,1|2,0,0]=4 70 B8R1.4 c1c(cncc1N)N cdp230 [0,1,0,0,0,1|2,0,0]=4 71 B8R1.4 c1c(cncc1O)N cdp228 [0,1,0,0,0,1|2,0,0]=4 72 B8R1.4 c1c(cncc1O)O cdp229 [0,1,0,0,0,1|2,0,0]=4 73 B8R1.4 c1c(cnnc1Cl)N ct267lit2 [0,1,0,0,0,1|1,0,1]=4 74 B8R1.4 c1c[nH]c(=O)cc1Br a007 [0,1,0,0,0,1|2,0,0]=4 75 B8R1.4 c1c[nH]c(=O)oc1=O nh008 [0,1,0,0,0,1|2,0,0]=4 76 B8R1.4 c1cnc(cc1Br)Br ct069 [0,1,0,0,0,1|2,0,0]=4 77 B8R1.4 c1cnc(cc1Br)F cdp135 [0,1,0,0,0,1|2,0,0]=4 78 B8R1.4 c1cnc(cc1Br)N cdp131 [0,1,0,0,0,1|2,0,0]=4 79 B8R1.4 c1cnc(cc1Cl)Cl cdp112 [0,1,0,0,0,1|2,0,0]=4 80 B8R1.4 c1cnc(cc1Cl)O a006 [0,1,0,0,0,1|2,0,0]=4 81 B8R1.4 c1cnc(cc1F)Cl cdp117 [0,1,0,0,0,1|2,0,0]=4 82 B8R1.4 c1cnc(cc1F)F cdp116 [0,1,0,0,0,1|2,0,0]=4 83 B8R1.4 c1cnc(cc1F)O cdp132 [0,1,0,0,0,1|2,0,0]=4 84 B8R1.4 c1cnc(cc1I)I cdp112fp4 [0,1,0,0,0,1|2,0,0]=4 85 B8R1.4 c1cnc(cc1I)N un167 [0,1,0,0,0,1|2,0,0]=4 86 B8R1.4 c1cnc(cc1N)N cdp074 [0,1,0,0,0,1|2,0,0]=4 87 B8R1.4 c1cnc(cc1N)O un001 [0,1,0,0,0,1|2,0,0]=4 88 B8R1.4 c1cnc(cc1O)Br cdp119 [0,1,0,0,0,1|2,0,0]=4 89 B8R1.4 c1cnc(cc1O)F cdp106 [0,1,0,0,0,1|2,0,0]=4 90 B8R1.4 c1cnc(cc1O)N cdp115 [0,1,0,0,0,1|2,0,0]=4 91 B8R1.4 c1cnc(nc1N)Cl ct355 [0,1,0,0,0,1|2,0,0]=4 92 B8R1.5 Cc1c(cccn1)F un146 [0,1,0,0,0,1|2,0,0]=4 93 B8R1.5 Cc1c(cccn1)I cdp062fp1 [0,1,0,0,0,1|2,0,0]=4 94 B8R1.5 Cc1c(cncn1)O ct360de5 [0,1,0,0,0,1|1,0,0]=3 95 B8R1.5 Cc1cccnc1F cdp065 [0,1,0,0,0,1|1,0,0]=3 96 B8R1.5 Cc1ccncc1Br ct051vp1 [0,1,0,0,0,1|1,0,0]=3 97 B8R1.5 Cc1ccncc1F cdp253 [0,1,0,0,0,1|1,0,0]=3 98 B8R1.5 Cc1ccncc1I cdp146fp3de3 [0,1,0,0,0,1|1,0,0]=3 99 B8R1.5 Cc1ccncc1O cdp254 [0,1,0,0,0,1|1,0,0]=3 100 B8R1.5 Cc1cnccc1Br cdp269 [0,1,0,0,0,1|1,0,0]=3 101 B8R1.5 Cc1cnccc1F cdp290 [0,1,0,0,0,1|1,0,0]=3 102 B8R1.5 Cc1cnccc1I cdp257fp1 [0,1,0,0,0,1|1,0,0]=3 103 B8R1.5 Cc1cnccc1N cdp257 [0,1,0,0,0,1|1,0,0]=3 104 B8R1.5 Cc1cnccc1O cdp287 [0,1,0,0,0,1|1,0,0]=3 105 B8R1.5 Cc1cncnc1Cl ct356de3 [0,1,0,0,0,1|0,0,1]=3 106 B8R1.5 Cc1cncnc1O ct360de3 [0,1,0,0,0,1|0,0,1]=3 107 B8R1.5 c1cc(c(nc1)Br)F cdp034 [0,1,0,0,0,1|2,0,0]=4 108 B8R1.5 c1cc(c(nc1)Br)N cdp035 [0,1,0,0,0,1|2,0,0]=4 109 B8R1.5 c1cc(c(nc1)Cl)F cdp052 [0,1,0,0,0,1|2,0,0]=4 110 B8R1.5 c1cc(c(nc1)F)Br a112 [0,1,0,0,0,1|2,0,0]=4 111 B8R1.5 c1cc(c(nc1)F)Cl cdp071 [0,1,0,0,0,1|2,0,0]=4 112 B8R1.5 c1cc(c(nc1)F)F cdp069 [0,1,0,0,0,1|2,0,0]=4 113 B8R1.5 c1cc(c(nc1)F)N cdp067 [0,1,0,0,0,1|2,0,0]=4 114 B8R1.5 c1cc(c(nc1)F)O cdp005 [0,1,0,0,0,1|2,0,0]=4 115 B8R1.5 c1cc(c(nc1)N)Cl cdp036 [0,1,0,0,0,1|2,0,0]=4 116 B8R1.5 c1cc(c(nc1)N)F cdp047 [0,1,0,0,0,1|2,0,0]=4 117 B8R1.5 c1cc(c(nc1)O)Br cdp055 [0,1,0,0,0,1|2,0,0]=4 118 B8R1.5 c1cc(c(nc1)O)Cl cdp056 [0,1,0,0,0,1|2,0,0]=4 119 B8R1.5 c1cc(c(nc1)O)F cdp068 [0,1,0,0,0,1|2,0,0]=4 120 B8R1.5 c1cc(c(nc1)O)I a006de6 [0,1,0,0,0,1|2,0,0]=4 121 B8R1.5 c1cc(c(nc1)O)N cdp026 [0,1,0,0,0,1|2,0,0]=4 122 B8R1.5 c1cc(c(nc1)O)O cdp021 [0,1,0,0,0,1|2,0,0]=4 123 B8R1.5 c1cn[nH]c(=O)c1N fpzz0082fp7 [0,1,0,0,0,1|1,0,0]=3 124 B8R1.5 c1cncc(c1Br)F cdp260 [0,1,0,0,0,1|2,0,0]=4 125 B8R1.5 c1cncc(c1Cl)F cdp106de3 [0,1,0,0,0,1|2,0,0]=4 126 B8R1.5 c1cncc(c1Cl)O a004 [0,1,0,0,0,1|2,0,0]=4 127 B8R1.5 c1cncc(c1F)Br a113 [0,1,0,0,0,1|2,0,0]=4 128 B8R1.5 c1cncc(c1F)Cl un136 [0,1,0,0,0,1|2,0,0]=4 129 B8R1.5 c1cncc(c1F)F cdp300 [0,1,0,0,0,1|2,0,0]=4 130 B8R1.5 c1cncc(c1F)O un190 [0,1,0,0,0,1|2,0,0]=4 131 B8R1.5 c1cncc(c1N)Cl cdp285 [0,1,0,0,0,1|2,0,0]=4 132 B8R1.5 c1cncc(c1N)F cdp259 [0,1,0,0,0,1|2,0,0]=4 133 B8R1.5 c1cncc(c1N)O un005 [0,1,0,0,0,1|2,0,0]=4 134 B8R1.5 c1cncc(c1O)Cl cdp303 [0,1,0,0,0,1|2,0,0]=4 135 B8R1.5 c1cncc(c1O)F cdp288 [0,1,0,0,0,1|2,0,0]=4 136 B8R1.5 c1cncc(c1O)O cdp271 [0,1,0,0,0,1|2,0,0]=4 137 B8R1.5 c1cnnc(c1N)Br ct267fp1 [0,1,0,0,0,1|1,0,1]=4 138 B8R1.1 CCc1c[nH]c(=O)[nH]1 ct260lit1 [0,2,0,0,0,0|2,0,0]=4 139 B8R1.1 c1c(o[nH]c1=O)CN un227 [0,2,0,0,0,0|2,0,0]=4 140 B8R1.7 CC(=O)c1ccoc1 f001 [0,2,0,0,0,0|2,0,0]=4 141 B8R1.11 Cc1c(c[nH]n1)C#N a079vp1fp2de6 [0,2,0,0,0,0|0,0,1]=3 142 B8R1.11 Cc1c(scn1)CCl co015 [0,2,0,0,0,0|2,0,0]=4 143 B8R1.50 CC1C(=NNC1=O)C bc232vp1 [0,2,0,0,0,0|0,0,1]=3 144 B8R1.50 Cc1c([nH]nc1C)C nh016 [0,2,0,0,0,0|0,0,0]=2 145 B8R1.50 Cn1c(=O)[nH][nH]c1=O wh036 [0,2,0,0,0,0|1,0,1]=4