0 B8R1.18 CC1=NC(=NC1Br)Br AB11303 [0,0,0,0,0,0|3,0,1]=4 1 B8R1.18 CC1=NC(=NC1Cl)C AB58139 [0,0,0,0,0,0|2,0,1]=3 2 B8R1.18 CC1=NC(=NC1I)I AB11305 [0,0,0,0,0,0|3,0,1]=4 3 B8R1.18 CC1C(=NC(=N1)Cl)C AB54802 [0,0,0,0,0,0|2,0,1]=3 4 B8R1.18 CC1C(=NC(=N1)N)C AB54790 [0,0,0,0,0,0|2,0,1]=3 5 B8R1.18 CC1C(=O)NC(=O)O1 AB26261 [0,0,0,0,0,0|2,0,2]=4 6 B8R1.18 Cc1[nH]c(c(n1)Br)Br AB06612 [0,0,0,0,0,0|3,0,0]=3 7 B8R1.18 Cc1[nH]c(c(n1)I)I AB06210 [0,0,0,0,0,0|3,0,0]=3 8 B8R1.18 Cc1c(cc(s1)Br)Br MB04800 [0,0,0,0,0,0|3,1,0]=4 9 B8R1.18 Cc1c(cn(n1)C)Br PB23204 [0,0,0,0,0,0|3,0,0]=3 10 B8R1.18 Cc1c(cn(n1)C)N AB10629 [0,0,0,0,0,0|3,0,0]=3 11 B8R1.18 Cc1c(cn(n1)C)N PB34221 [0,0,0,0,0,0|3,0,0]=3 12 B8R1.18 Cc1c(nn(n1)C)Br MB14575 [0,0,0,0,0,0|3,0,0]=3 13 B8R1.18 Cc1c(oc(n1)N)C AB25421 [0,0,0,0,0,0|1,0,0]=1 14 B8R1.18 Cc1cc(n(n1)C)Br PB11837 [0,0,0,0,0,0|3,0,0]=3 15 B8R1.18 Cc1cc(n(n1)C)N AB02131 [0,0,0,0,0,0|3,0,0]=3 16 B8R1.18 Cc1cn(c(n1)Br)C AB26588 [0,0,0,0,0,0|3,0,0]=3 17 B8R1.18 Cc1nc(cn1C)Br AB26584 [0,0,0,0,0,0|3,0,0]=3 18 B8R1.18 Cn1c(cc(n1)Cl)N PB30426 [0,0,0,0,0,0|4,0,0]=4 19 B8R1.18 Cn1cc(nc1Br)Br AB26596 [0,0,0,0,0,0|4,0,0]=4 20 B7R1.2 CC1=NC(=NC1)Br AB26590 [1,0,0,0,0,0|2,0,1]=4 21 B7R1.2 CC1=NC(=NC1)Cl AB53096 [1,0,0,0,0,0|2,0,1]=4 22 B7R1.2 CC1=NC(=NC1)N AB27175 [1,0,0,0,0,0|2,0,1]=4 23 B7R1.2 CC1=NC(=NC1)N AB27178 [1,0,0,0,0,0|2,0,1]=4 24 B7R1.2 CC1=NC(=O)N=C1 AB05017 [1,0,0,0,0,0|2,0,0]=3 25 B7R1.2 CC1=NN=C(C1)Br AB63797 [1,0,0,0,0,0|3,0,0]=4 26 B7R1.2 CC1=NN=C(C1)Cl PB14164 [1,0,0,0,0,0|3,0,0]=4 27 B7R1.2 CC1=NN=C(C1)N PB33812 [1,0,0,0,0,0|3,0,0]=4 28 B7R1.2 Cc1[nH]c(cn1)Cl AB58131 [1,0,0,0,0,0|2,0,0]=3 29 B7R1.2 Cc1[nH]c(nn1)S AB06112 [1,0,0,0,0,0|3,0,0]=4 30 B7R1.2 Cc1[nH]cc(n1)Br AB14336 [1,0,0,0,0,0|2,0,0]=3 31 B7R1.2 Cc1[nH]cc(n1)N AB60590 [1,0,0,0,0,0|2,0,0]=3 32 B7R1.2 Cc1[nH]nc(n1)C PB23188 [1,0,0,0,0,0|2,0,0]=3 33 B7R1.2 Cc1cc(cs1)Br AB20690 [1,0,0,0,0,0|2,1,0]=4 34 B7R1.2 Cc1cc(no1)N PB28932 [1,0,0,0,0,0|3,0,0]=4 35 B7R1.2 Cc1cc(on1)N MB00134 [1,0,0,0,0,0|3,0,0]=4 36 B7R1.2 Cc1cc(sc1)C CB10250 [1,0,0,0,0,0|1,1,0]=3 37 B7R1.2 Cc1ccc(o1)Br AB64979 [1,0,0,0,0,0|2,0,0]=3 38 B7R1.2 Cc1ccn(n1)C PB27396 [1,0,0,0,0,0|2,0,0]=3 39 B7R1.2 Cc1cnc(o1)Br AB71573 [1,0,0,0,0,0|1,0,0]=2 40 B7R1.2 Cc1cnc(o1)C AB72158 [1,0,0,0,0,0|0,0,0]=1 41 B7R1.2 Cc1cnc(o1)Cl AB53091 [1,0,0,0,0,0|1,0,0]=2 42 B7R1.2 Cc1cnc(o1)N AB52683 [1,0,0,0,0,0|1,0,0]=2 43 B7R1.2 Cc1cnc(o1)O AB53086 [1,0,0,0,0,0|1,0,0]=2 44 B7R1.2 Cc1cnc(s1)Br AB45716 [1,0,0,0,0,0|1,1,0]=3 45 B7R1.2 Cc1cnc(s1)Cl AB13892 [1,0,0,0,0,0|1,1,0]=3 46 B7R1.2 Cc1cnc(s1)N AB03001 [1,0,0,0,0,0|1,1,0]=3 47 B7R1.2 Cc1cnc(s1)O AB53102 [1,0,0,0,0,0|1,1,0]=3 48 B7R1.2 Cc1coc(n1)Br AB68303 [1,0,0,0,0,0|1,0,0]=2 49 B7R1.2 Cc1coc(n1)Cl AB68302 [1,0,0,0,0,0|1,0,0]=2 50 B7R1.2 Cc1coc(n1)N PB17112 [1,0,0,0,0,0|1,0,0]=2 51 B7R1.2 Cc1csc(n1)Br PB26224 [1,0,0,0,0,0|1,1,0]=3 52 B7R1.2 Cc1csc(n1)N AB00403 [1,0,0,0,0,0|1,1,0]=3 53 B7R1.2 Cc1nc(co1)N MB11373 [1,0,0,0,0,0|1,0,0]=2 54 B7R1.2 Cc1nc(cs1)Br AB23819 [1,0,0,0,0,0|1,1,0]=3 55 B7R1.2 Cc1nc(no1)Cl AB76625 [1,0,0,0,0,0|2,0,0]=3 56 B7R1.2 Cc1nc(no1)N AB44303 [1,0,0,0,0,0|2,0,0]=3 57 B7R1.2 Cc1nc(ns1)Cl AB76996 [1,0,0,0,0,0|2,1,0]=4 58 B7R1.2 Cc1nc(on1)C AB44073 [1,0,0,0,0,0|1,0,0]=2 59 B7R1.2 Cc1nc(on1)Cl AB44075 [1,0,0,0,0,0|2,0,0]=3 60 B7R1.2 Cc1nc(on1)N AB44302 [1,0,0,0,0,0|2,0,0]=3 61 B7R1.2 Cc1nc(on1)O AB50309 [1,0,0,0,0,0|2,0,0]=3 62 B7R1.2 Cc1nc(sn1)Cl MB05736 [1,0,0,0,0,0|2,1,0]=4 63 B7R1.2 Cc1ncc(o1)N MB11377 [1,0,0,0,0,0|1,0,0]=2 64 B7R1.2 Cc1ncc(s1)Br AB54339 [1,0,0,0,0,0|1,1,0]=3 65 B7R1.2 Cc1nnc(o1)N PB23353 [1,0,0,0,0,0|2,0,0]=3 66 B7R1.2 Cn1cc(cn1)Br PB34028 [1,0,0,0,0,0|3,0,0]=4 67 B7R1.2 Cn1cc(cn1)F AB68792 [1,0,0,0,0,0|3,0,0]=4 68 B7R1.2 Cn1cc(cn1)N PB29344 [1,0,0,0,0,0|3,0,0]=4 69 B7R1.2 Cn1cc(nc1)I PB23238 [1,0,0,0,0,0|3,0,0]=4 70 B7R1.2 Cn1cc(nc1)N AB11896 [1,0,0,0,0,0|3,0,0]=4 71 B7R1.2 Cn1ccc(n1)Br PB19136 [1,0,0,0,0,0|3,0,0]=4 72 B7R1.2 Cn1ccc(n1)I PB26365 [1,0,0,0,0,0|3,0,0]=4 73 B7R1.2 Cn1ccc(n1)N PB12171 [1,0,0,0,0,0|3,0,0]=4 74 B7R1.2 c1(nc(on1)Cl)Cl AB44078 [1,0,0,0,0,0|3,0,0]=4 75 B7R1.2 c1c(nc(s1)Br)Br AB08804 [1,0,0,0,0,0|2,1,0]=4 76 B7R1.2 c1c(nc(s1)Br)Cl MB14083 [1,0,0,0,0,0|2,1,0]=4 77 B7R1.2 c1c(nc(s1)Br)F MB14090 [1,0,0,0,0,0|2,1,0]=4 78 B7R1.2 c1c(nc(s1)Br)N MB09052 [1,0,0,0,0,0|2,1,0]=4 79 B7R1.2 c1c(nc(s1)Cl)Br MB07558 [1,0,0,0,0,0|2,1,0]=4 80 B7R1.2 c1c(nc(s1)F)Br MB14192 [1,0,0,0,0,0|2,1,0]=4 81 B7R1.2 c1c(nc(s1)N)Br AB30368 [1,0,0,0,0,0|2,1,0]=4 82 B7R1.2 c1c(sc(n1)Br)Cl PB17692 [1,0,0,0,0,0|2,1,0]=4 83 B7R1.2 c1c(sc(n1)Br)F PB13624 [1,0,0,0,0,0|2,1,0]=4 84 B7R1.2 c1c(sc(n1)Br)N AB53265 [1,0,0,0,0,0|2,1,0]=4 85 B7R1.2 c1c(sc(n1)Cl)Br MB14237 [1,0,0,0,0,0|2,1,0]=4 86 B7R1.2 c1c(sc(n1)Cl)Cl PB16960 [1,0,0,0,0,0|2,1,0]=4 87 B7R1.2 c1c(sc(n1)F)Br MB14245 [1,0,0,0,0,0|2,1,0]=4 88 B7R1.2 c1c(sc(n1)N)Cl PB27400 [1,0,0,0,0,0|2,1,0]=4 89 B7R1.2 c1c(sc(n1)N)F PB24037 [1,0,0,0,0,0|2,1,0]=4 90 B7R1.2 c1c(sc(n1)N)N AB53268 [1,0,0,0,0,0|2,1,0]=4 91 B7R1.4 CC1=C(C=NC1)C PB27606 [1,0,0,0,0,0|3,0,0]=4 92 B7R1.4 CC1=C(N=NC1)Br PB11022 [1,0,0,0,0,0|3,0,0]=4 93 B7R1.4 CC1=C(N=NC1)N AB44283 [1,0,0,0,0,0|3,0,0]=4 94 B7R1.4 CC1=C(N=NC1)N AB72239 [1,0,0,0,0,0|3,0,0]=4 95 B7R1.4 CC1=NC=NC1Br AB26578 [1,0,0,0,0,0|2,0,1]=4 96 B7R1.4 CC1=NC=NC1N MB11358 [1,0,0,0,0,0|2,0,1]=4 97 B7R1.4 CC1C(=NC=N1)C AB09621 [1,0,0,0,0,0|1,0,1]=3 98 B7R1.4 Cc1c(cco1)N AB71442 [1,0,0,0,0,0|2,0,0]=3 99 B7R1.4 Cc1c(cno1)N MB10128 [1,0,0,0,0,0|3,0,0]=4 100 B7R1.4 Cc1c(con1)N MB11367 [1,0,0,0,0,0|3,0,0]=4 101 B7R1.4 Cc1c(nco1)N MB11380 [1,0,0,0,0,0|1,0,0]=2 102 B7R1.4 Cc1c(ocn1)C AB63543 [1,0,0,0,0,0|0,0,0]=1 103 B7R1.4 Cc1c(ocn1)N MB11381 [1,0,0,0,0,0|1,0,0]=2 104 B7R1.4 Cc1ccsc1Br PB25943 [1,0,0,0,0,0|2,1,0]=4 105 B7R1.4 Cc1cnoc1N MB11360 [1,0,0,0,0,0|3,0,0]=4 106 B7R1.4 Cc1conc1N MB11363 [1,0,0,0,0,0|3,0,0]=4 107 B7R1.4 Cc1nccn1N AB44383 [1,0,0,0,0,0|3,0,0]=4 108 B7R1.4 Cn1c(ccn1)N PB33809 [1,0,0,0,0,0|3,0,0]=4 109 B7R1.4 Cn1ccnc1Br AB11315 [1,0,0,0,0,0|3,0,0]=4 110 B7R1.4 Cn1ccnc1Cl AB11324 [1,0,0,0,0,0|3,0,0]=4 111 B7R1.4 Cn1ccnc1I PB32223 [1,0,0,0,0,0|3,0,0]=4 112 B7R1.4 Cn1ccnc1N AB59774 [1,0,0,0,0,0|3,0,0]=4 113 B7R1.4 c1[nH]c(c(n1)Br)Br AB03286 [1,0,0,0,0,0|3,0,0]=4 114 B7R1.4 c1[nH]c(c(n1)I)I AB07820 [1,0,0,0,0,0|3,0,0]=4 115 B7R1.4 c1coc(c1N)Br AB71394 [1,0,0,0,0,0|3,0,0]=4 116 B9R1.22 CC1=NC(=C(C1)C#N)Cl AB53222 [0,1,0,0,0,0|2,0,1]=4 117 B9R1.22 Cc1c(cn(n1)C)C#N AB20878 [0,1,0,0,0,0|2,0,1]=4 118 B9R1.22 Cc1c(cn(n1)C)C=O AB04183 [0,1,0,0,0,0|2,0,1]=4 119 B9R1.22 Cc1c(cn(n1)C)CCl AB72467 [0,1,0,0,0,0|2,0,0]=3 120 B9R1.22 Cc1c(cn(n1)C)CN AB10627 [0,1,0,0,0,0|2,0,0]=3 121 B9R1.22 Cc1c(cn(n1)C)CO AB11625 [0,1,0,0,0,0|2,0,0]=3 122 B9R1.22 Cc1c(nc(s1)C)CO AB62860 [0,1,0,0,0,0|0,1,0]=2 123 B9R1.22 Cc1c(oc(n1)C)C=O AB27656 [0,1,0,0,0,0|0,0,1]=2 124 B9R1.22 Cc1c(oc(n1)C)CO MB08849 [0,1,0,0,0,0|0,0,0]=1 125 B9R1.22 Cc1c(oc(n1)Cl)C=O AB71590 [0,1,0,0,0,0|1,0,1]=3 126 B9R1.22 Cc1c(oc(n1)Cl)CCl AB71592 [0,1,0,0,0,0|1,0,0]=2 127 B9R1.22 Cc1c(oc(n1)Cl)CN AB72279 [0,1,0,0,0,0|1,0,0]=2 128 B9R1.22 Cc1c(sc(n1)C)CN MB08333 [0,1,0,0,0,0|0,1,0]=2 129 B9R1.22 Cc1cc(n(n1)C)C=O AB12155 [0,1,0,0,0,0|2,0,1]=4 130 B9R1.22 Cc1cc(n(n1)C)CCl PB10408 [0,1,0,0,0,0|2,0,0]=3 131 B9R1.22 Cc1cc(n(n1)C)CN PB17288 [0,1,0,0,0,0|2,0,0]=3 132 B9R1.22 Cc1cc(n(n1)C)CO PB29211 [0,1,0,0,0,0|2,0,0]=3 133 B9R1.22 Cc1cn(c(n1)CO)C AB63450 [0,1,0,0,0,0|2,0,0]=3 134 B9R1.22 Cc1cn(nc1CO)C AB63452 [0,1,0,0,0,0|2,0,0]=3 135 B9R1.22 Cc1nc(c(o1)N)C#N MB02509 [0,1,0,0,0,0|1,0,1]=3 136 B9R1.23 CCn1cc(c(n1)C)N PB30766 [0,1,0,0,0,0|3,0,0]=4 137 B9R1.23 Cc1c(oc(n1)NC)C AB65970 [0,1,0,0,0,0|0,0,0]=1 138 B9R1.23 Cc1c(sc(n1)C#N)C PB23016 [0,1,0,0,0,0|0,1,1]=3 139 B9R1.23 Cc1cc(nn1C)CCl PB14522 [0,1,0,0,0,0|2,0,0]=3 140 B9R1.23 Cc1cc(nn1C)CN PB29261 [0,1,0,0,0,0|2,0,0]=3 141 B9R1.23 Cc1cc(nn1C)CO PB29273 [0,1,0,0,0,0|2,0,0]=3 142 B9R1.23 Cc1cc(sc1C)CN AB72614 [0,1,0,0,0,0|1,1,0]=3 143 B9R1.23 Cc1nc(nn1C)C=O AB76716 [0,1,0,0,0,0|2,0,1]=4 144 B9R1.37 Cc1c(c(n(n1)C)C)Br AB02192 [0,1,0,0,0,0|2,0,0]=3 145 B9R1.37 Cc1c(c(sc1Br)C)Br MB09669 [0,1,0,0,0,0|2,1,0]=4 146 B9R1.37 Cc1c(n(c(n1)Br)C)Br AB26582 [0,1,0,0,0,0|3,0,0]=4 147 B9R1.37 Cc1c(n(c(n1)N)C)C AB68809 [0,1,0,0,0,0|2,0,0]=3 148 B9R1.37 Cc1c(nc(n1C)Br)Br AB26580 [0,1,0,0,0,0|3,0,0]=4 149 B9R1.37 Cc1nc(c(n1C)Br)Br AB11301 [0,1,0,0,0,0|3,0,0]=4 150 B7R0.2 C\C(=C\C(=O)C)\OC AB70394 [0,0,1,0,0,0|2,0,1]=4 151 B9R1.34 Cc1cc(cc(n1)Br)Cl AB70506 [0,0,0,0,0,1|3,0,0]=4 152 B9R1.34 Cc1cc(cc(n1)Br)F AB71085 [0,0,0,0,0,1|3,0,0]=4 153 B9R1.34 Cc1cc(cc(n1)Br)N AB65433 [0,0,0,0,0,1|3,0,0]=4 154 B9R1.34 Cc1cc(cc(n1)C)Br AB06743 [0,0,0,0,0,1|2,0,0]=3 155 B9R1.34 Cc1cc(cc(n1)C)Cl AB09599 [0,0,0,0,0,1|2,0,0]=3 156 B9R1.34 Cc1cc(cc(n1)C)N AB03678 [0,0,0,0,0,1|2,0,0]=3 157 B9R1.34 Cc1cc(cc(n1)C)O AB07775 [0,0,0,0,0,1|2,0,0]=3 158 B9R1.34 Cc1cc(cc(n1)Cl)Cl AB46092 [0,0,0,0,0,1|3,0,0]=4 159 B9R1.34 Cc1cc(cc(n1)Cl)N AB05304 [0,0,0,0,0,1|3,0,0]=4 160 B9R1.34 Cc1cc(cc(n1)F)Br AB71093 [0,0,0,0,0,1|3,0,0]=4 161 B9R1.34 Cc1cc(cc(n1)N)Cl AB07298 [0,0,0,0,0,1|3,0,0]=4 162 B9R1.34 Cc1cc(cc(n1)N)F AB70902 [0,0,0,0,0,1|3,0,0]=4 163 B9R1.34 Cc1cc(cc(n1)O)Cl AB71203 [0,0,0,0,0,1|3,0,0]=4 164 B9R1.34 Cc1cc(cc(n1)O)F AB71321 [0,0,0,0,0,1|3,0,0]=4 165 B9R1.34 Cc1cc(cc(n1)O)O AB10075 [0,0,0,0,0,1|3,0,0]=4 166 B9R1.34 Cc1cc(nc(c1)Br)C AB03103 [0,0,0,0,0,1|2,0,0]=3 167 B9R1.34 Cc1cc(nc(c1)Br)Cl AB53549 [0,0,0,0,0,1|3,0,0]=4 168 B9R1.34 Cc1cc(nc(c1)Br)F AB53551 [0,0,0,0,0,1|3,0,0]=4 169 B9R1.34 Cc1cc(nc(c1)Cl)Cl PB31372 [0,0,0,0,0,1|3,0,0]=4 170 B9R1.34 Cc1cc(nc(c1)Cl)N AB53542 [0,0,0,0,0,1|3,0,0]=4 171 B9R1.34 Cc1cc(nc(c1)Cl)O AB71189 [0,0,0,0,0,1|3,0,0]=4 172 B9R1.34 Cc1cc(nc(c1)F)N AB83076 [0,0,0,0,0,1|3,0,0]=4 173 B9R1.34 Cc1cc(nc(c1)F)O AB71308 [0,0,0,0,0,1|3,0,0]=4 174 B9R1.34 Cc1cc(nc(c1)N)C AB00706 [0,0,0,0,0,1|2,0,0]=3 175 B9R1.34 Cc1cc(nc(c1)O)C AB07368 [0,0,0,0,0,1|2,0,0]=3 176 B9R1.34 Cc1cc(nc(n1)C)Cl AB05193 [0,0,0,0,0,1|2,0,0]=3 177 B9R1.34 Cc1cc(nc(n1)C)O AB00587 [0,0,0,0,0,1|2,0,0]=3 178 B9R1.34 Cc1cc(nc(n1)Cl)Br AB72373 [0,0,0,0,0,1|3,0,0]=4 179 B9R1.34 Cc1cc(nc(n1)Cl)C AB01348 [0,0,0,0,0,1|2,0,0]=3 180 B9R1.34 Cc1cc(nc(n1)Cl)N PB12352 [0,0,0,0,0,1|3,0,0]=4 181 B9R1.34 Cc1nc(cc(n1)Cl)Cl PB20912 [0,0,0,0,0,1|3,0,0]=4 182 B9R1.34 Cc1nc(cc(n1)Cl)N PB26286 [0,0,0,0,0,1|3,0,0]=4 183 B9R1.69 CC1C=C(N=NC1=O)C PB18522 [0,0,0,0,0,1|2,0,1]=4 184 B9R1.69 Cc1c(cc(cn1)Br)Br PB30636 [0,0,0,0,0,1|3,0,0]=4 185 B9R1.69 Cc1c(cc(cn1)Br)Cl PB25103 [0,0,0,0,0,1|3,0,0]=4 186 B9R1.69 Cc1c(cc(cn1)Br)F AB65410 [0,0,0,0,0,1|3,0,0]=4 187 B9R1.69 Cc1c(cc(cn1)Br)N PB18946 [0,0,0,0,0,1|3,0,0]=4 188 B9R1.69 Cc1c(cc(cn1)Cl)N PB22604 [0,0,0,0,0,1|3,0,0]=4 189 B9R1.69 Cc1c(cc(cn1)F)N AB73550 [0,0,0,0,0,1|3,0,0]=4 190 B9R1.69 Cc1c(cc(cn1)N)Br PB15954 [0,0,0,0,0,1|3,0,0]=4 191 B9R1.69 Cc1c(cc(cn1)N)Cl AB62794 [0,0,0,0,0,1|3,0,0]=4 192 B9R1.69 Cc1c(cc(cn1)N)F AB73533 [0,0,0,0,0,1|3,0,0]=4 193 B9R1.69 Cc1c(cc(cn1)O)Cl AB71195 [0,0,0,0,0,1|3,0,0]=4 194 B9R1.69 Cc1c(cc(cn1)O)F AB71314 [0,0,0,0,0,1|3,0,0]=4 195 B9R1.69 Cc1c(ccc(n1)Br)Cl AB63580 [0,0,0,0,0,1|3,0,0]=4 196 B9R1.69 Cc1c(ccc(n1)Br)F AB13446 [0,0,0,0,0,1|3,0,0]=4 197 B9R1.69 Cc1c(ccc(n1)Br)N PB20014 [0,0,0,0,0,1|3,0,0]=4 198 B9R1.69 Cc1c(ccc(n1)Cl)Br AB41208 [0,0,0,0,0,1|3,0,0]=4 199 B9R1.69 Cc1c(ccc(n1)Cl)N PB20018 [0,0,0,0,0,1|3,0,0]=4 200 B9R1.69 Cc1c(ccc(n1)F)Br AB13479 [0,0,0,0,0,1|3,0,0]=4 201 B9R1.69 Cc1c(ccc(n1)I)Br MB09866 [0,0,0,0,0,1|3,0,0]=4 202 B9R1.69 Cc1c(ccc(n1)N)Br AB02783 [0,0,0,0,0,1|3,0,0]=4 203 B9R1.69 Cc1c(ccc(n1)N)Cl AB50593 [0,0,0,0,0,1|3,0,0]=4 204 B9R1.69 Cc1c(ccc(n1)N)F AB53307 [0,0,0,0,0,1|3,0,0]=4 205 B9R1.69 Cc1c(ccc(n1)N)I AB20800 [0,0,0,0,0,1|3,0,0]=4 206 B9R1.69 Cc1c(ccc(n1)O)Br AB15079 [0,0,0,0,0,1|3,0,0]=4 207 B9R1.69 Cc1c(ccc(n1)O)Cl AB71196 [0,0,0,0,0,1|3,0,0]=4 208 B9R1.69 Cc1c(ccc(n1)O)F AB71316 [0,0,0,0,0,1|3,0,0]=4 209 B9R1.69 Cc1c(ccc(n1)O)N AB41212 [0,0,0,0,0,1|3,0,0]=4 210 B9R1.69 Cc1c(cnc(n1)C)Br AB70482 [0,0,0,0,0,1|2,0,0]=3 211 B9R1.69 Cc1c(cnc(n1)Cl)Br AB70433 [0,0,0,0,0,1|3,0,0]=4 212 B9R1.69 Cc1c(cnc(n1)Cl)N AB66433 [0,0,0,0,0,1|3,0,0]=4 213 B9R1.69 Cc1c(nc(cn1)Br)N AB85726 [0,0,0,0,0,1|3,0,0]=4 214 B9R1.69 Cc1c(nc(cn1)Cl)C AB68573 [0,0,0,0,0,1|2,0,0]=3 215 B9R1.69 Cc1c(nc(cn1)N)Br CB11882 [0,0,0,0,0,1|3,0,0]=4 216 B9R1.69 Cc1c(nc(cn1)N)C AB53106 [0,0,0,0,0,1|2,0,0]=3 217 B9R1.69 Cc1c(ncc(n1)Br)Br AB72476 [0,0,0,0,0,1|3,0,0]=4 218 B9R1.69 Cc1c(ncc(n1)Br)Cl AB72492 [0,0,0,0,0,1|3,0,0]=4 219 B9R1.69 Cc1c(ncc(n1)Br)I AB72495 [0,0,0,0,0,1|3,0,0]=4 220 B9R1.69 Cc1c(ncc(n1)Br)N AB48639 [0,0,0,0,0,1|3,0,0]=4 221 B9R1.69 Cc1c(ncc(n1)Br)O AB85718 [0,0,0,0,0,1|3,0,0]=4 222 B9R1.69 Cc1c(ncc(n1)Cl)Br AB72477 [0,0,0,0,0,1|3,0,0]=4 223 B9R1.69 Cc1c(ncc(n1)Cl)Cl AB70649 [0,0,0,0,0,1|3,0,0]=4 224 B9R1.69 Cc1c(ncc(n1)Cl)F AB85699 [0,0,0,0,0,1|3,0,0]=4 225 B9R1.69 Cc1c(ncc(n1)Cl)I AB72504 [0,0,0,0,0,1|3,0,0]=4 226 B9R1.69 Cc1c(ncc(n1)Cl)N AB54525 [0,0,0,0,0,1|3,0,0]=4 227 B9R1.69 Cc1c(ncc(n1)F)Br AB85703 [0,0,0,0,0,1|3,0,0]=4 228 B9R1.69 Cc1c(ncc(n1)F)Cl AB85700 [0,0,0,0,0,1|3,0,0]=4 229 B9R1.69 Cc1c(ncc(n1)I)Br AB72480 [0,0,0,0,0,1|3,0,0]=4 230 B9R1.69 Cc1c(ncc(n1)N)Br AB48621 [0,0,0,0,0,1|3,0,0]=4 231 B9R1.69 Cc1c(nnc(n1)C)Cl AB72440 [0,0,0,0,0,1|2,0,0]=3 232 B9R1.69 Cc1c(nnc(n1)Cl)Cl AB72423 [0,0,0,0,0,1|3,0,0]=4 233 B9R1.69 Cc1cc(c(cn1)Br)Cl PB25215 [0,0,0,0,0,1|3,0,0]=4 234 B9R1.69 Cc1cc(c(cn1)Br)F AB74992 [0,0,0,0,0,1|3,0,0]=4 235 B9R1.69 Cc1cc(c(cn1)Br)N PB10415 [0,0,0,0,0,1|3,0,0]=4 236 B9R1.69 Cc1cc(c(cn1)C)Br AB05202 [0,0,0,0,0,1|2,0,0]=3 237 B9R1.69 Cc1cc(c(cn1)C)N AB05308 [0,0,0,0,0,1|2,0,0]=3 238 B9R1.69 Cc1cc(c(cn1)C)O AB66580 [0,0,0,0,0,1|2,0,0]=3 239 B9R1.69 Cc1cc(c(cn1)Cl)Br AB71664 [0,0,0,0,0,1|3,0,0]=4 240 B9R1.69 Cc1cc(c(cn1)Cl)I AB71748 [0,0,0,0,0,1|3,0,0]=4 241 B9R1.69 Cc1cc(c(cn1)Cl)N AB40682 [0,0,0,0,0,1|3,0,0]=4 242 B9R1.69 Cc1cc(c(cn1)Cl)O AB69303 [0,0,0,0,0,1|3,0,0]=4 243 B9R1.69 Cc1cc(c(cn1)F)Br AB74121 [0,0,0,0,0,1|3,0,0]=4 244 B9R1.69 Cc1cc(c(cn1)F)N AB70850 [0,0,0,0,0,1|3,0,0]=4 245 B9R1.69 Cc1cc(c(cn1)N)Br AB68541 [0,0,0,0,0,1|3,0,0]=4 246 B9R1.69 Cc1cc(c(cn1)N)Cl AB64291 [0,0,0,0,0,1|3,0,0]=4 247 B9R1.69 Cc1cc(c(cn1)N)F AB73537 [0,0,0,0,0,1|3,0,0]=4 248 B9R1.69 Cc1cc(c(cn1)N)N AB51224 [0,0,0,0,0,1|3,0,0]=4 249 B9R1.69 Cc1cc(c(cn1)O)Cl AB75747 [0,0,0,0,0,1|3,0,0]=4 250 B9R1.69 Cc1cc(c(cn1)O)F AB74750 [0,0,0,0,0,1|3,0,0]=4 251 B9R1.69 Cc1cc(c(nc1)Br)C AB05204 [0,0,0,0,0,1|2,0,0]=3 252 B9R1.69 Cc1cc(c(nc1)Br)Cl AB53543 [0,0,0,0,0,1|3,0,0]=4 253 B9R1.69 Cc1cc(c(nc1)Br)F AB55034 [0,0,0,0,0,1|3,0,0]=4 254 B9R1.69 Cc1cc(c(nc1)C)Br AB05199 [0,0,0,0,0,1|2,0,0]=3 255 B9R1.69 Cc1cc(c(nc1)C)N AB66586 [0,0,0,0,0,1|2,0,0]=3 256 B9R1.69 Cc1cc(c(nc1)C)O AB65617 [0,0,0,0,0,1|2,0,0]=3 257 B9R1.69 Cc1cc(c(nc1)Cl)Br AB09970 [0,0,0,0,0,1|3,0,0]=4 258 B9R1.69 Cc1cc(c(nc1)Cl)N AB15085 [0,0,0,0,0,1|3,0,0]=4 259 B9R1.69 Cc1cc(c(nc1)Cl)O AB53552 [0,0,0,0,0,1|3,0,0]=4 260 B9R1.69 Cc1cc(c(nc1)F)Br AB13665 [0,0,0,0,0,1|3,0,0]=4 261 B9R1.69 Cc1cc(c(nc1)F)N AB66726 [0,0,0,0,0,1|3,0,0]=4 262 B9R1.69 Cc1cc(c(nc1)F)O AB71300 [0,0,0,0,0,1|3,0,0]=4 263 B9R1.69 Cc1cc(c(nc1)N)Br AB02784 [0,0,0,0,0,1|3,0,0]=4 264 B9R1.69 Cc1cc(c(nc1)N)C AB62796 [0,0,0,0,0,1|2,0,0]=3 265 B9R1.69 Cc1cc(c(nc1)N)Cl AB32106 [0,0,0,0,0,1|3,0,0]=4 266 B9R1.69 Cc1cc(c(nc1)N)F AB66724 [0,0,0,0,0,1|3,0,0]=4 267 B9R1.69 Cc1cc(c(nc1)N)N AB16874 [0,0,0,0,0,1|3,0,0]=4 268 B9R1.69 Cc1cc(c(nc1)O)Br AB16221 [0,0,0,0,0,1|3,0,0]=4 269 B9R1.69 Cc1cc(c(nc1)O)C AB71284 [0,0,0,0,0,1|2,0,0]=3 270 B9R1.69 Cc1cc(c(nc1)O)Cl AB70490 [0,0,0,0,0,1|3,0,0]=4 271 B9R1.69 Cc1cc(c(nc1)O)F AB71311 [0,0,0,0,0,1|3,0,0]=4 272 B9R1.69 Cc1cc(c(nc1)O)N AB53563 [0,0,0,0,0,1|3,0,0]=4 273 B9R1.69 Cc1cc(cnc1Br)Br AB10779 [0,0,0,0,0,1|3,0,0]=4 274 B9R1.69 Cc1cc(cnc1Br)Cl AB13444 [0,0,0,0,0,1|3,0,0]=4 275 B9R1.69 Cc1cc(cnc1Br)F AB53312 [0,0,0,0,0,1|3,0,0]=4 276 B9R1.69 Cc1cc(cnc1Br)N AB13464 [0,0,0,0,0,1|3,0,0]=4 277 B9R1.69 Cc1cc(cnc1Br)O AB53545 [0,0,0,0,0,1|3,0,0]=4 278 B9R1.69 Cc1cc(cnc1C)Br AB64498 [0,0,0,0,0,1|2,0,0]=3 279 B9R1.69 Cc1cc(cnc1C)Cl AB75734 [0,0,0,0,0,1|2,0,0]=3 280 B9R1.69 Cc1cc(cnc1C)N AB42833 [0,0,0,0,0,1|2,0,0]=3 281 B9R1.69 Cc1cc(cnc1C)O AB65534 [0,0,0,0,0,1|2,0,0]=3 282 B9R1.69 Cc1cc(cnc1Cl)Cl AB16614 [0,0,0,0,0,1|3,0,0]=4 283 B9R1.69 Cc1cc(cnc1Cl)F AB21234 [0,0,0,0,0,1|3,0,0]=4 284 B9R1.69 Cc1cc(cnc1Cl)I CB11216 [0,0,0,0,0,1|3,0,0]=4 285 B9R1.69 Cc1cc(cnc1Cl)N AB13470 [0,0,0,0,0,1|3,0,0]=4 286 B9R1.69 Cc1cc(cnc1Cl)O PB31577 [0,0,0,0,0,1|3,0,0]=4 287 B9R1.69 Cc1cc(cnc1F)Br AB13475 [0,0,0,0,0,1|3,0,0]=4 288 B9R1.69 Cc1cc(cnc1F)Cl AB13483 [0,0,0,0,0,1|3,0,0]=4 289 B9R1.69 Cc1cc(cnc1F)N AB13474 [0,0,0,0,0,1|3,0,0]=4 290 B9R1.69 Cc1cc(cnc1F)O AB53562 [0,0,0,0,0,1|3,0,0]=4 291 B9R1.69 Cc1cc(cnc1I)Br AB42361 [0,0,0,0,0,1|3,0,0]=4 292 B9R1.69 Cc1cc(cnc1I)Cl AB75751 [0,0,0,0,0,1|3,0,0]=4 293 B9R1.69 Cc1cc(cnc1N)Br AB02787 [0,0,0,0,0,1|3,0,0]=4 294 B9R1.69 Cc1cc(cnc1N)Cl AB03635 [0,0,0,0,0,1|3,0,0]=4 295 B9R1.69 Cc1cc(cnc1N)F AB41238 [0,0,0,0,0,1|3,0,0]=4 296 B9R1.69 Cc1cc(cnc1N)I AB10923 [0,0,0,0,0,1|3,0,0]=4 297 B9R1.69 Cc1cc(cnc1O)Br AB15087 [0,0,0,0,0,1|3,0,0]=4 298 B9R1.69 Cc1cc(cnc1O)Cl AB03537 [0,0,0,0,0,1|3,0,0]=4 299 B9R1.69 Cc1cc(cnc1O)F AB82901 [0,0,0,0,0,1|3,0,0]=4 300 B9R1.69 Cc1cc(cnc1O)I CB10781 [0,0,0,0,0,1|3,0,0]=4 301 B9R1.69 Cc1cc(cnc1O)N AB41215 [0,0,0,0,0,1|3,0,0]=4 302 B9R1.69 Cc1cc(ncc1Br)Br AB05276 [0,0,0,0,0,1|3,0,0]=4 303 B9R1.69 Cc1cc(ncc1Br)C AB53714 [0,0,0,0,0,1|2,0,0]=3 304 B9R1.69 Cc1cc(ncc1Br)Cl AB15095 [0,0,0,0,0,1|3,0,0]=4 305 B9R1.69 Cc1cc(ncc1Br)F AB53532 [0,0,0,0,0,1|3,0,0]=4 306 B9R1.69 Cc1cc(ncc1Br)I AB52611 [0,0,0,0,0,1|3,0,0]=4 307 B9R1.69 Cc1cc(ncc1Br)N AB15088 [0,0,0,0,0,1|3,0,0]=4 308 B9R1.69 Cc1cc(ncc1Br)O AB15096 [0,0,0,0,0,1|3,0,0]=4 309 B9R1.69 Cc1cc(ncc1C)Br AB64948 [0,0,0,0,0,1|2,0,0]=3 310 B9R1.69 Cc1cc(ncc1C)N AB49139 [0,0,0,0,0,1|2,0,0]=3 311 B9R1.69 Cc1cc(ncc1C)O AB71287 [0,0,0,0,0,1|2,0,0]=3 312 B9R1.69 Cc1cc(ncc1Cl)Br AB64601 [0,0,0,0,0,1|3,0,0]=4 313 B9R1.69 Cc1cc(ncc1Cl)Cl AB41172 [0,0,0,0,0,1|3,0,0]=4 314 B9R1.69 Cc1cc(ncc1Cl)N AB24850 [0,0,0,0,0,1|3,0,0]=4 315 B9R1.69 Cc1cc(ncc1Cl)O AB41155 [0,0,0,0,0,1|3,0,0]=4 316 B9R1.69 Cc1cc(ncc1F)Br AB44912 [0,0,0,0,0,1|3,0,0]=4 317 B9R1.69 Cc1cc(ncc1I)N AB25384 [0,0,0,0,0,1|3,0,0]=4 318 B9R1.69 Cc1cc(ncc1N)Br PB25040 [0,0,0,0,0,1|3,0,0]=4 319 B9R1.69 Cc1cc(ncc1N)C AB41994 [0,0,0,0,0,1|2,0,0]=3 320 B9R1.69 Cc1cc(ncc1N)F AB53863 [0,0,0,0,0,1|3,0,0]=4 321 B9R1.69 Cc1cc(ncc1O)C AB44457 [0,0,0,0,0,1|2,0,0]=3 322 B9R1.69 Cc1cc(ncc1O)Cl AB71184 [0,0,0,0,0,1|3,0,0]=4 323 B9R1.69 Cc1cc(ncc1O)F AB71303 [0,0,0,0,0,1|3,0,0]=4 324 B9R1.69 Cc1cc(nnc1Cl)C PB31877 [0,0,0,0,0,1|2,0,0]=3 325 B9R1.69 Cc1cc(nnc1Cl)Cl PB23168 [0,0,0,0,0,1|3,0,0]=4 326 B9R1.69 Cc1cc(nnc1O)O PB15638 [0,0,0,0,0,1|3,0,0]=4 327 B9R1.69 Cc1ccc(c(n1)Br)N AB13459 [0,0,0,0,0,1|3,0,0]=4 328 B9R1.69 Cc1ccc(c(n1)Br)O PB10360 [0,0,0,0,0,1|3,0,0]=4 329 B9R1.69 Cc1ccc(c(n1)C)Br AB05311 [0,0,0,0,0,1|2,0,0]=3 330 B9R1.69 Cc1ccc(c(n1)Cl)Br AB13590 [0,0,0,0,0,1|3,0,0]=4 331 B9R1.69 Cc1ccc(c(n1)Cl)N AB13580 [0,0,0,0,0,1|3,0,0]=4 332 B9R1.69 Cc1ccc(c(n1)Cl)O AB42392 [0,0,0,0,0,1|3,0,0]=4 333 B9R1.69 Cc1ccc(c(n1)F)N AB13597 [0,0,0,0,0,1|3,0,0]=4 334 B9R1.69 Cc1ccc(c(n1)N)Br AB13584 [0,0,0,0,0,1|3,0,0]=4 335 B9R1.69 Cc1ccc(c(n1)N)Cl AB41203 [0,0,0,0,0,1|3,0,0]=4 336 B9R1.69 Cc1ccc(c(n1)N)N AB15083 [0,0,0,0,0,1|3,0,0]=4 337 B9R1.69 Cc1ccc(c(n1)N)O AB53537 [0,0,0,0,0,1|3,0,0]=4 338 B9R1.69 Cc1ccc(c(n1)O)Br AB13586 [0,0,0,0,0,1|3,0,0]=4 339 B9R1.69 Cc1ccc(c(n1)O)Cl AB41205 [0,0,0,0,0,1|3,0,0]=4 340 B9R1.69 Cc1ccc(nc1Br)Br AB16615 [0,0,0,0,0,1|3,0,0]=4 341 B9R1.69 Cc1ccc(nc1Br)C AB65454 [0,0,0,0,0,1|2,0,0]=3 342 B9R1.69 Cc1ccc(nc1Br)Cl AB62917 [0,0,0,0,0,1|3,0,0]=4 343 B9R1.69 Cc1ccc(nc1Br)F AB71569 [0,0,0,0,0,1|3,0,0]=4 344 B9R1.69 Cc1ccc(nc1C)Br AB64947 [0,0,0,0,0,1|2,0,0]=3 345 B9R1.69 Cc1ccc(nc1C)N AB23050 [0,0,0,0,0,1|2,0,0]=3 346 B9R1.69 Cc1ccc(nc1C)O AB54521 [0,0,0,0,0,1|2,0,0]=3 347 B9R1.69 Cc1ccc(nc1Cl)Br AB74690 [0,0,0,0,0,1|3,0,0]=4 348 B9R1.69 Cc1ccc(nc1Cl)N AB70428 [0,0,0,0,0,1|3,0,0]=4 349 B9R1.69 Cc1ccc(nc1Cl)O AB71186 [0,0,0,0,0,1|3,0,0]=4 350 B9R1.69 Cc1ccc(nc1F)Br AB74556 [0,0,0,0,0,1|3,0,0]=4 351 B9R1.69 Cc1ccc(nc1F)N AB83080 [0,0,0,0,0,1|3,0,0]=4 352 B9R1.69 Cc1ccc(nc1F)O AB71306 [0,0,0,0,0,1|3,0,0]=4 353 B9R1.69 Cc1ccc(nc1N)Br AB71668 [0,0,0,0,0,1|3,0,0]=4 354 B9R1.69 Cc1ccc(nc1N)C AB25382 [0,0,0,0,0,1|2,0,0]=3 355 B9R1.69 Cc1ccc(nc1N)Cl AB73562 [0,0,0,0,0,1|3,0,0]=4 356 B9R1.69 Cc1ccc(nc1N)F AB82883 [0,0,0,0,0,1|3,0,0]=4 357 B9R1.69 Cc1ccc(nc1N)N AB43423 [0,0,0,0,0,1|3,0,0]=4 358 B9R1.69 Cc1ccc(nc1O)C AB71286 [0,0,0,0,0,1|2,0,0]=3 359 B9R1.69 Cc1ccc(nc1O)Cl AB75750 [0,0,0,0,0,1|3,0,0]=4 360 B9R1.69 Cc1ccc(nc1O)F AB82880 [0,0,0,0,0,1|3,0,0]=4 361 B9R1.69 Cc1cnc(c(n1)Br)C AB65522 [0,0,0,0,0,1|2,0,0]=3 362 B9R1.69 Cc1cnc(c(n1)Br)N CB11261 [0,0,0,0,0,1|3,0,0]=4 363 B9R1.69 Cc1cnc(c(n1)C)Br AB73101 [0,0,0,0,0,1|2,0,0]=3 364 B9R1.69 Cc1cnc(c(n1)C)Cl AB03542 [0,0,0,0,0,1|2,0,0]=3 365 B9R1.69 Cc1cnc(c(n1)C)N AB03436 [0,0,0,0,0,1|2,0,0]=3 366 B9R1.69 Cc1cnc(c(n1)Cl)C AB00609 [0,0,0,0,0,1|2,0,0]=3 367 B9R1.69 Cc1cnc(cc1Br)Cl AB63102 [0,0,0,0,0,1|3,0,0]=4 368 B9R1.69 Cc1cnc(cc1Br)F AB71091 [0,0,0,0,0,1|3,0,0]=4 369 B9R1.69 Cc1cnc(cc1Cl)Br AB63106 [0,0,0,0,0,1|3,0,0]=4 370 B9R1.69 Cc1cnc(cc1Cl)N AB63097 [0,0,0,0,0,1|3,0,0]=4 371 B9R1.69 Cc1cnc(cc1Cl)O AB71200 [0,0,0,0,0,1|3,0,0]=4 372 B9R1.69 Cc1cnc(cc1F)Br AB71082 [0,0,0,0,0,1|3,0,0]=4 373 B9R1.69 Cc1cnc(cc1F)N AB70899 [0,0,0,0,0,1|3,0,0]=4 374 B9R1.69 Cc1cnc(cc1F)O AB71320 [0,0,0,0,0,1|3,0,0]=4 375 B9R1.69 Cc1cnc(cc1N)Br AB63107 [0,0,0,0,0,1|3,0,0]=4 376 B9R1.69 Cc1cnc(cc1N)Cl AB65156 [0,0,0,0,0,1|3,0,0]=4 377 B9R1.69 Cc1cnc(cc1N)F AB82864 [0,0,0,0,0,1|3,0,0]=4 378 B9R1.69 Cc1cnc(cc1O)Cl AB71181 [0,0,0,0,0,1|3,0,0]=4 379 B9R1.69 Cc1cnc(cc1O)F AB71302 [0,0,0,0,0,1|3,0,0]=4 380 B9R1.69 Cc1cnc(nc1Cl)C AB51539 [0,0,0,0,0,1|2,0,0]=3 381 B9R1.69 Cc1cnc(nc1Cl)Cl PB17064 [0,0,0,0,0,1|3,0,0]=4 382 B9R1.69 Cc1cnc(nc1Cl)N PB24678 [0,0,0,0,0,1|3,0,0]=4 383 B9R1.69 Cc1cnc(nc1N)C AB54986 [0,0,0,0,0,1|2,0,0]=3 384 B9R1.69 Cc1cnc(nc1N)Cl PB10226 [0,0,0,0,0,1|3,0,0]=4 385 B9R1.69 Cc1cnc(nc1O)C AB21544 [0,0,0,0,0,1|2,0,0]=3 386 B9R1.69 Cc1ncc(c(n1)Cl)F AB52955 [0,0,0,0,0,1|3,0,0]=4 387 B9R1.69 Cc1ncc(c(n1)N)N AB70427 [0,0,0,0,0,1|3,0,0]=4 388 B9R1.69 Cc1ncc(c(n1)O)F AB04979 [0,0,0,0,0,1|3,0,0]=4 389 B6R0.3 B(\C(=C/C)\C)(O)O AB25207 [1,0,1,0,0,0|2,0,0]=4 390 B6R0.3 COC(=O)C(=N)N AB50977 [1,0,1,0,0,0|2,0,0]=4 391 B6R1.2 C1=NC(=O)N=C1 AB01798 [2,0,0,0,0,0|2,0,0]=4 392 B6R1.2 CC1=CCCO1 AB00300 [2,0,0,0,0,0|1,0,1]=4 393 B6R1.2 CC1=CN=CC1 PB12076 [2,0,0,0,0,0|1,0,0]=3 394 B6R1.2 CC1=CN=NC1 AB00390 [2,0,0,0,0,0|2,0,0]=4 395 B6R1.2 CC1=NC=CC1 AB12705 [2,0,0,0,0,0|1,0,0]=3 396 B6R1.2 Cc1ccon1 AB01288 [2,0,0,0,0,0|2,0,0]=4 397 B6R1.2 Cc1cocn1 AB63545 [2,0,0,0,0,0|0,0,0]=2 398 B6R1.2 Cn1cccn1 PB33818 [2,0,0,0,0,0|2,0,0]=4 399 B6R1.2 c1c(nco1)Br AB71589 [2,0,0,0,0,0|1,0,0]=3 400 B6R1.2 c1c(nco1)Cl AB71588 [2,0,0,0,0,0|1,0,0]=3 401 B6R1.2 c1c(nco1)N AB65031 [2,0,0,0,0,0|1,0,0]=3 402 B6R1.2 c1c(ocn1)Br AB68491 [2,0,0,0,0,0|1,0,0]=3 403 B6R1.2 c1c(ocn1)N MB10132 [2,0,0,0,0,0|1,0,0]=3 404 B6R1.2 c1c(scn1)Br AB42975 [2,0,0,0,0,0|1,1,0]=4 405 B6R1.2 c1cc(oc1)Br AB04890 [2,0,0,0,0,0|2,0,0]=4 406 B6R1.2 c1coc(n1)Br AB53255 [2,0,0,0,0,0|1,0,0]=3 407 B6R1.2 c1coc(n1)I PB15201 [2,0,0,0,0,0|1,0,0]=3 408 B6R1.2 c1coc(n1)N MB04324 [2,0,0,0,0,0|1,0,0]=3 409 B6R1.2 c1csc(n1)Br AB00399 [2,0,0,0,0,0|1,1,0]=4 410 B6R1.2 c1csc(n1)Cl CB10295 [2,0,0,0,0,0|1,1,0]=4 411 B6R1.2 c1csc(n1)O AB10887 [2,0,0,0,0,0|1,1,0]=4 412 B8R1.1 C(c1nc(no1)Cl)Cl AB76283 [1,1,0,0,0,0|2,0,0]=4 413 B8R1.1 C(c1nc(on1)N)Cl AB76237 [1,1,0,0,0,0|2,0,0]=4 414 B8R1.1 CC1=CN=C(C1)C=O AB43814 [1,1,0,0,0,0|1,0,1]=4 415 B8R1.1 CC1=NC(=CC1)C=O AB43978 [1,1,0,0,0,0|1,0,1]=4 416 B8R1.1 CC1=NC(=NC1)CN AB28116 [1,1,0,0,0,0|1,0,1]=4 417 B8R1.1 CC1=NN=C(C1)CN AB51378 [1,1,0,0,0,0|2,0,0]=4 418 B8R1.1 CCc1[nH]c(cn1)Cl AB45181 [1,1,0,0,0,0|2,0,0]=4 419 B8R1.1 CCc1cnc(o1)N AB64704 [1,1,0,0,0,0|1,0,0]=3 420 B8R1.1 CCc1nc(on1)Cl AB71527 [1,1,0,0,0,0|2,0,0]=4 421 B8R1.1 CCc1nnc(o1)N PB21808 [1,1,0,0,0,0|2,0,0]=4 422 B8R1.1 CNc1nc(cs1)Br MB14222 [1,1,0,0,0,0|1,1,0]=4 423 B8R1.1 CNc1ncc(s1)Br MB14261 [1,1,0,0,0,0|1,1,0]=4 424 B8R1.1 COc1cnc(s1)N AB09307 [1,1,0,0,0,0|1,1,0]=4 425 B8R1.1 COc1nc(cs1)Br AB42965 [1,1,0,0,0,0|1,1,0]=4 426 B8R1.1 COc1ncc(s1)Br MB06715 [1,1,0,0,0,0|1,1,0]=4 427 B8R1.1 Cc1[nH]c(cn1)C=O AB05024 [1,1,0,0,0,0|1,0,1]=4 428 B8R1.1 Cc1[nH]c(cn1)CCl AB57911 [1,1,0,0,0,0|1,0,0]=3 429 B8R1.1 Cc1[nH]c(cn1)CN AB57919 [1,1,0,0,0,0|1,0,0]=3 430 B8R1.1 Cc1[nH]c(cn1)CO AB57908 [1,1,0,0,0,0|1,0,0]=3 431 B8R1.1 Cc1[nH]c(nn1)CN AB46091 [1,1,0,0,0,0|2,0,0]=4 432 B8R1.1 Cc1cc(no1)CN AB06189 [1,1,0,0,0,0|2,0,0]=4 433 B8R1.1 Cc1cc(oc1)CN PB24200 [1,1,0,0,0,0|1,0,0]=3 434 B8R1.1 Cc1cc(on1)CCl AB42093 [1,1,0,0,0,0|2,0,0]=4 435 B8R1.1 Cc1cc(on1)CN AB28053 [1,1,0,0,0,0|2,0,0]=4 436 B8R1.1 Cc1cc(sc1)CCl AB72607 [1,1,0,0,0,0|1,1,0]=4 437 B8R1.1 Cc1cc(sc1)CN AB25763 [1,1,0,0,0,0|1,1,0]=4 438 B8R1.1 Cc1ccc(s1)CCl AB50993 [1,1,0,0,0,0|1,1,0]=4 439 B8R1.1 Cc1ccc(s1)CN AB07827 [1,1,0,0,0,0|1,1,0]=4 440 B8R1.1 Cc1cnc(o1)CO AB63479 [1,1,0,0,0,0|0,0,0]=2 441 B8R1.1 Cc1cnc(o1)NC AB65971 [1,1,0,0,0,0|0,0,0]=2 442 B8R1.1 Cc1cnc(s1)C=O AB43202 [1,1,0,0,0,0|0,1,1]=4 443 B8R1.1 Cc1cnc(s1)CCl AB43206 [1,1,0,0,0,0|0,1,0]=3 444 B8R1.1 Cc1cnc(s1)CN AB43201 [1,1,0,0,0,0|0,1,0]=3 445 B8R1.1 Cc1coc(n1)C=O PB28183 [1,1,0,0,0,0|0,0,1]=3 446 B8R1.1 Cc1coc(n1)CCl AB70149 [1,1,0,0,0,0|0,0,0]=2 447 B8R1.1 Cc1coc(n1)CN AB70147 [1,1,0,0,0,0|0,0,0]=2 448 B8R1.1 Cc1coc(n1)NC AB65967 [1,1,0,0,0,0|0,0,0]=2 449 B8R1.1 Cc1csc(n1)C#N PB10548 [1,1,0,0,0,0|0,1,1]=4 450 B8R1.1 Cc1csc(n1)C=O PB14084 [1,1,0,0,0,0|0,1,1]=4 451 B8R1.1 Cc1csc(n1)CCl AB43168 [1,1,0,0,0,0|0,1,0]=3 452 B8R1.1 Cc1csc(n1)CN AB59755 [1,1,0,0,0,0|0,1,0]=3 453 B8R1.1 Cc1csc(n1)CO AB44110 [1,1,0,0,0,0|0,1,0]=3 454 B8R1.1 Cc1csc(n1)NC AB10516 [1,1,0,0,0,0|0,1,0]=3 455 B8R1.1 Cc1nc(co1)C=O AB13940 [1,1,0,0,0,0|0,0,1]=3 456 B8R1.1 Cc1nc(co1)CCl AB45871 [1,1,0,0,0,0|0,0,0]=2 457 B8R1.1 Cc1nc(co1)CN AB54740 [1,1,0,0,0,0|0,0,0]=2 458 B8R1.1 Cc1nc(co1)CO AB48508 [1,1,0,0,0,0|0,0,0]=2 459 B8R1.1 Cc1nc(cs1)C=O AB25415 [1,1,0,0,0,0|0,1,1]=4 460 B8R1.1 Cc1nc(cs1)CCl AB02129 [1,1,0,0,0,0|0,1,0]=3 461 B8R1.1 Cc1nc(cs1)CN AB23320 [1,1,0,0,0,0|0,1,0]=3 462 B8R1.1 Cc1nc(no1)CCl AB09935 [1,1,0,0,0,0|1,0,0]=3 463 B8R1.1 Cc1nc(no1)CO AB43139 [1,1,0,0,0,0|1,0,0]=3 464 B8R1.1 Cc1nc(on1)C=O AB57238 [1,1,0,0,0,0|1,0,1]=4 465 B8R1.1 Cc1nc(on1)CCl AB45279 [1,1,0,0,0,0|1,0,0]=3 466 B8R1.1 Cc1nc(on1)CN AB57218 [1,1,0,0,0,0|1,0,0]=3 467 B8R1.1 Cc1nc(on1)CO AB44080 [1,1,0,0,0,0|1,0,0]=3 468 B8R1.1 Cc1ncc(o1)C=O AB27658 [1,1,0,0,0,0|0,0,1]=3 469 B8R1.1 Cc1ncc(o1)CCl AB70153 [1,1,0,0,0,0|0,0,0]=2 470 B8R1.1 Cc1ncc(o1)CN AB64071 [1,1,0,0,0,0|0,0,0]=2 471 B8R1.1 Cc1ncc(s1)C=O CB11336 [1,1,0,0,0,0|0,1,1]=4 472 B8R1.1 Cc1nnc(o1)C=O AB57523 [1,1,0,0,0,0|1,0,1]=4 473 B8R1.1 Cc1nnc(o1)CCl AB25410 [1,1,0,0,0,0|1,0,0]=3 474 B8R1.1 Cc1nnc(o1)CN AB28132 [1,1,0,0,0,0|1,0,0]=3 475 B8R1.1 Cc1nnc(o1)CN AB28474 [1,1,0,0,0,0|1,0,0]=3 476 B8R1.1 Cc1nnc(s1)CCl AB66821 [1,1,0,0,0,0|1,1,0]=4 477 B8R1.1 Cc1nnc(s1)CN AB62645 [1,1,0,0,0,0|1,1,0]=4 478 B8R1.1 Cn1cc(cn1)CCl AB53748 [1,1,0,0,0,0|2,0,0]=4 479 B8R1.1 Cn1cc(cn1)CN PB29175 [1,1,0,0,0,0|2,0,0]=4 480 B8R1.1 Cn1cc(cn1)CO PB19942 [1,1,0,0,0,0|2,0,0]=4 481 B8R1.1 Cn1cc(nc1)CCl AB60095 [1,1,0,0,0,0|2,0,0]=4 482 B8R1.1 Cn1cc(nc1)CN PB10356 [1,1,0,0,0,0|2,0,0]=4 483 B8R1.1 Cn1cc(nc1)CO PB13038 [1,1,0,0,0,0|2,0,0]=4 484 B8R1.1 Cn1ccc(n1)CBr AB27867 [1,1,0,0,0,0|2,0,0]=4 485 B8R1.1 Cn1ccc(n1)CN PB29254 [1,1,0,0,0,0|2,0,0]=4 486 B8R1.1 Cn1ccc(n1)CO PB20290 [1,1,0,0,0,0|2,0,0]=4 487 B8R1.1 Cn1cnc(n1)CCl AB28284 [1,1,0,0,0,0|2,0,0]=4 488 B8R1.1 Cn1cnc(n1)CN PB35871 [1,1,0,0,0,0|2,0,0]=4 489 B8R1.1 Cn1cnc(n1)CO PB34812 [1,1,0,0,0,0|2,0,0]=4 490 B8R1.1 c1c(nc(o1)Cl)C=O AB68328 [1,1,0,0,0,0|1,0,1]=4 491 B8R1.1 c1c(nc(o1)Cl)CBr AB43619 [1,1,0,0,0,0|1,0,0]=3 492 B8R1.1 c1c(nc(o1)Cl)CCl AB71583 [1,1,0,0,0,0|1,0,0]=3 493 B8R1.1 c1c(nc(o1)Cl)CN AB72277 [1,1,0,0,0,0|1,0,0]=3 494 B8R1.1 c1c(nc(o1)Cl)CO PB31033 [1,1,0,0,0,0|1,0,0]=3 495 B8R1.1 c1c(nc(s1)Br)CCl AB50547 [1,1,0,0,0,0|1,1,0]=4 496 B8R1.1 c1c(nc(s1)N)CCl AB01560 [1,1,0,0,0,0|1,1,0]=4 497 B8R1.1 c1c(nc(s1)N)CCl PB33908 [1,1,0,0,0,0|1,1,0]=4 498 B8R1.1 c1c(sc(n1)Br)CCl AB51428 [1,1,0,0,0,0|1,1,0]=4 499 B8R1.1 c1c(sc(n1)Br)CN AB49802 [1,1,0,0,0,0|1,1,0]=4 500 B8R1.1 c1c(sc(n1)Br)CO AB20494 [1,1,0,0,0,0|1,1,0]=4 501 B8R1.1 c1c(sc(n1)CN)Br PB39018 [1,1,0,0,0,0|1,1,0]=4 502 B8R1.1 c1c(sc(n1)CN)Cl PB37009 [1,1,0,0,0,0|1,1,0]=4 503 B8R1.1 c1c(sc(n1)CO)Br PB24473 [1,1,0,0,0,0|1,1,0]=4 504 B8R1.1 c1c(sc(n1)CO)Cl PB36635 [1,1,0,0,0,0|1,1,0]=4 505 B8R1.1 c1c(sc(n1)Cl)CCl AB08016 [1,1,0,0,0,0|1,1,0]=4 506 B8R1.1 c1c(sc(n1)N)CO AB23150 [1,1,0,0,0,0|1,1,0]=4 507 B8R1.50 Cc1c(c(on1)C)Br PB14113 [1,1,0,0,0,0|2,0,0]=4 508 B8R1.50 Cc1c(c(on1)C)I AB04361 [1,1,0,0,0,0|2,0,0]=4 509 B8R1.50 Cc1cnc(n1C)Br AB26586 [1,1,0,0,0,0|2,0,0]=4 510 B8R1.50 Cc1cnn(c1Br)C AB84867 [1,1,0,0,0,0|2,0,0]=4 511 B8R1.50 Cc1ncc(n1C)Br AB26592 [1,1,0,0,0,0|2,0,0]=4 512 B8R1.50 Cc1nnc(n1C)C AB07353 [1,1,0,0,0,0|2,0,0]=4 513 B8R1.11 CC1=C(N=CC1)C=O AB01496 [1,1,0,0,0,0|1,0,1]=4 514 B8R1.11 CC1=NC=NC1CCl AB76255 [1,1,0,0,0,0|1,0,1]=4 515 B8R1.11 Cc1c(ccs1)CCl AB76281 [1,1,0,0,0,0|1,1,0]=4 516 B8R1.11 Cc1c(con1)CN MB06775 [1,1,0,0,0,0|2,0,0]=4 517 B8R1.11 Cc1c(nco1)C=O AB62633 [1,1,0,0,0,0|0,0,1]=3 518 B8R1.11 Cc1c(nco1)CCl AB71571 [1,1,0,0,0,0|0,0,0]=2 519 B8R1.11 Cc1c(nco1)CN AB68727 [1,1,0,0,0,0|0,0,0]=2 520 B8R1.11 Cc1c(ncs1)C#N AB76587 [1,1,0,0,0,0|0,1,1]=4 521 B8R1.11 Cc1c(ncs1)C=O AB62627 [1,1,0,0,0,0|0,1,1]=4 522 B8R1.11 Cc1c(ncs1)CCl AB76286 [1,1,0,0,0,0|0,1,0]=3 523 B8R1.11 Cc1c(ncs1)CO AB44114 [1,1,0,0,0,0|0,1,0]=3 524 B8R1.11 Cc1c(non1)CN AB28419 [1,1,0,0,0,0|2,0,0]=4 525 B8R1.11 Cc1c(ocn1)CCl MB08890 [1,1,0,0,0,0|0,0,0]=2 526 B8R1.11 Cc1c(ocn1)CO MB03682 [1,1,0,0,0,0|0,0,0]=2 527 B8R1.11 Cc1c(scn1)C=O CB10986 [1,1,0,0,0,0|0,1,1]=4 528 B8R1.11 Cc1c(scn1)CCl AB43190 [1,1,0,0,0,0|0,1,0]=3 529 B8R1.11 Cc1c(scn1)CN AB43198 [1,1,0,0,0,0|0,1,0]=3 530 B8R1.11 Cn1c(ccn1)CN PB24806 [1,1,0,0,0,0|2,0,0]=4 531 B8R1.11 Cn1c(ccn1)CO PB14601 [1,1,0,0,0,0|2,0,0]=4 532 B8R1.11 Cn1c(ncn1)CCl MB07932 [1,1,0,0,0,0|2,0,0]=4 533 B8R1.11 Cn1c(ncn1)CN AB25054 [1,1,0,0,0,0|2,0,0]=4 534 B8R1.11 Cn1c(ncn1)CO AB27921 [1,1,0,0,0,0|2,0,0]=4 535 B8R1.11 Cn1ccnc1CN MB07317 [1,1,0,0,0,0|2,0,0]=4 536 B8R1.11 Cn1ccnc1CN PB30844 [1,1,0,0,0,0|2,0,0]=4 537 B10R1.8 CCc1cc(nc(n1)C)Cl AB42755 [0,1,0,0,0,1|2,0,0]=4 538 B10R1.8 CCc1cc(nc(n1)C)N AB54967 [0,1,0,0,0,1|2,0,0]=4 539 B10R1.8 CCc1cc(nc(n1)C)O AB13893 [0,1,0,0,0,1|2,0,0]=4 540 B10R1.8 Cc1cc(cc(c1)CCl)C AB56154 [0,1,0,0,0,1|2,0,0]=4 541 B10R1.8 Cc1cc(cc(c1)CN)C AB01824 [0,1,0,0,0,1|2,0,0]=4 542 B10R1.8 Cc1cc(cc(n1)Br)CCl AB71050 [0,1,0,0,0,1|2,0,0]=4 543 B10R1.8 Cc1cc(cc(n1)Br)CN AB68161 [0,1,0,0,0,1|2,0,0]=4 544 B10R1.8 Cc1cc(cc(n1)C)C=O AB24839 [0,1,0,0,0,1|1,0,1]=4 545 B10R1.8 Cc1cc(cc(n1)C)CCl AB68655 [0,1,0,0,0,1|1,0,0]=3 546 B10R1.8 Cc1cc(cc(n1)C)CN AB65427 [0,1,0,0,0,1|1,0,0]=3 547 B10R1.8 Cc1cc(cc(n1)CCl)Br AB68657 [0,1,0,0,0,1|2,0,0]=4 548 B10R1.8 Cc1cc(cc(n1)CCl)Cl AB74787 [0,1,0,0,0,1|2,0,0]=4 549 B10R1.8 Cc1cc(cc(n1)CCl)F AB78533 [0,1,0,0,0,1|2,0,0]=4 550 B10R1.8 Cc1cc(cc(n1)CCl)I AB78583 [0,1,0,0,0,1|2,0,0]=4 551 B10R1.8 Cc1cc(cc(n1)CCl)O AB78458 [0,1,0,0,0,1|2,0,0]=4 552 B10R1.8 Cc1cc(cc(n1)CN)Br AB40798 [0,1,0,0,0,1|2,0,0]=4 553 B10R1.8 Cc1cc(cc(n1)CN)Cl AB40810 [0,1,0,0,0,1|2,0,0]=4 554 B10R1.8 Cc1cc(cc(n1)CN)F AB80224 [0,1,0,0,0,1|2,0,0]=4 555 B10R1.8 Cc1cc(cc(n1)CN)I AB80278 [0,1,0,0,0,1|2,0,0]=4 556 B10R1.8 Cc1cc(cc(n1)CN)N AB80135 [0,1,0,0,0,1|2,0,0]=4 557 B10R1.8 Cc1cc(cc(n1)CN)O AB80150 [0,1,0,0,0,1|2,0,0]=4 558 B10R1.8 Cc1cc(cc(n1)CO)Br AB40787 [0,1,0,0,0,1|2,0,0]=4 559 B10R1.8 Cc1cc(cc(n1)CO)Cl AB40801 [0,1,0,0,0,1|2,0,0]=4 560 B10R1.8 Cc1cc(cc(n1)Cl)CCl AB70698 [0,1,0,0,0,1|2,0,0]=4 561 B10R1.8 Cc1cc(cc(n1)Cl)CN AB68142 [0,1,0,0,0,1|2,0,0]=4 562 B10R1.8 Cc1cc(cc(n1)F)CCl AB70706 [0,1,0,0,0,1|2,0,0]=4 563 B10R1.8 Cc1cc(cc(n1)F)CN AB80402 [0,1,0,0,0,1|2,0,0]=4 564 B10R1.8 Cc1cc(cc(n1)I)CCl AB78738 [0,1,0,0,0,1|2,0,0]=4 565 B10R1.8 Cc1cc(cc(n1)I)CN AB80462 [0,1,0,0,0,1|2,0,0]=4 566 B10R1.8 Cc1cc(cc(n1)N)CCl AB70871 [0,1,0,0,0,1|2,0,0]=4 567 B10R1.8 Cc1cc(cc(n1)N)CN AB80499 [0,1,0,0,0,1|2,0,0]=4 568 B10R1.8 Cc1cc(cc(n1)O)CN AB80512 [0,1,0,0,0,1|2,0,0]=4 569 B10R1.8 Cc1cc(nc(c1)Br)CCl AB78392 [0,1,0,0,0,1|2,0,0]=4 570 B10R1.8 Cc1cc(nc(c1)Br)CN AB80078 [0,1,0,0,0,1|2,0,0]=4 571 B10R1.8 Cc1cc(nc(c1)C=O)C AB04218 [0,1,0,0,0,1|1,0,1]=4 572 B10R1.8 Cc1cc(nc(c1)CCl)C AB64959 [0,1,0,0,0,1|1,0,0]=3 573 B10R1.8 Cc1cc(nc(c1)CN)C AB62613 [0,1,0,0,0,1|1,0,0]=3 574 B10R1.8 Cc1cc(nc(c1)Cl)CCl AB71015 [0,1,0,0,0,1|2,0,0]=4 575 B10R1.8 Cc1cc(nc(c1)Cl)CN AB75106 [0,1,0,0,0,1|2,0,0]=4 576 B10R1.8 Cc1cc(nc(c1)F)CCl AB78353 [0,1,0,0,0,1|2,0,0]=4 577 B10R1.8 Cc1cc(nc(c1)F)CN AB80035 [0,1,0,0,0,1|2,0,0]=4 578 B10R1.8 Cc1cc(nc(c1)I)CCl AB78408 [0,1,0,0,0,1|2,0,0]=4 579 B10R1.8 Cc1cc(nc(c1)I)CN AB80096 [0,1,0,0,0,1|2,0,0]=4 580 B10R1.8 Cc1cc(nc(c1)N)CN AB76142 [0,1,0,0,0,1|2,0,0]=4 581 B10R1.8 Cc1cc(nc(c1)O)CN AB80331 [0,1,0,0,0,1|2,0,0]=4 582 B10R1.8 Cc1cc(nc(n1)C)C=O AB58698 [0,1,0,0,0,1|1,0,1]=4 583 B10R1.8 Cc1cc(nc(n1)CCl)C AB53816 [0,1,0,0,0,1|1,0,0]=3 584 B10R1.8 Cc1cc(nc(n1)CCl)Cl AB59423 [0,1,0,0,0,1|2,0,0]=4 585 B10R1.8 Cc1cc(nc(n1)CCl)O AB03648 [0,1,0,0,0,1|2,0,0]=4 586 B10R1.8 Cc1cc(nc(n1)CN)C AB12971 [0,1,0,0,0,1|1,0,0]=3 587 B10R1.8 Cc1cc(nc(n1)CN)Cl AB62683 [0,1,0,0,0,1|2,0,0]=4 588 B10R1.8 Cc1cc(nc(n1)CN)O AB63185 [0,1,0,0,0,1|2,0,0]=4 589 B10R1.8 Cc1cc(nc(n1)NC)Cl AB44237 [0,1,0,0,0,1|2,0,0]=4 590 B10R1.8 Cc1cc(nc(n1)NC)O AB43850 [0,1,0,0,0,1|2,0,0]=4 591 B10R1.8 Cc1cc(nc(n1)OC)Cl AB71553 [0,1,0,0,0,1|2,0,0]=4 592 B10R1.8 Cc1nc(cc(n1)Cl)SC PB19483 [0,1,0,0,0,1|2,0,0]=4 593 B10R1.22 Cc1c(c(nc(n1)C)C)Br AB72378 [0,1,0,0,0,1|1,0,0]=3 594 B10R1.22 Cc1c(c(nc(n1)N)C)Cl AB54992 [0,1,0,0,0,1|2,0,0]=4 595 B10R1.22 Cc1cc(nc(c1C)C)Br AB82584 [0,1,0,0,0,1|2,0,0]=4 596 B10R1.22 Cc1cc(nc(c1C)C)N AB76138 [0,1,0,0,0,1|2,0,0]=4 597 B10R1.22 Cc1cc(nc(c1C)C)O AB82587 [0,1,0,0,0,1|2,0,0]=4 598 B10R1.22 Cc1cc(nc(c1N)N)C AB44982 [0,1,0,0,0,1|2,0,0]=4 599 B10R1.25 CCc1ccc(nc1N)C AB03677 [0,1,0,0,0,1|2,0,0]=4 600 B10R1.25 Cc1[nH]c(=O)c(nn1)CN AB71842 [0,1,0,0,0,1|2,0,0]=4 601 B10R1.25 Cc1c(ccc(n1)Br)CCl AB69339 [0,1,0,0,0,1|2,0,0]=4 602 B10R1.25 Cc1c(ccc(n1)Br)CN AB69340 [0,1,0,0,0,1|2,0,0]=4 603 B10R1.25 Cc1c(ccc(n1)Cl)CN AB74568 [0,1,0,0,0,1|2,0,0]=4 604 B10R1.25 Cc1c(ccc(n1)Cl)OC AB63867 [0,1,0,0,0,1|2,0,0]=4 605 B10R1.25 Cc1c(ccc(n1)N)OC AB53570 [0,1,0,0,0,1|2,0,0]=4 606 B10R1.25 Cc1c(ccc(n1)O)OC AB63862 [0,1,0,0,0,1|2,0,0]=4 607 B10R1.25 Cc1c(ncc(n1)Br)OC AB85717 [0,1,0,0,0,1|2,0,0]=4 608 B10R1.25 Cc1c(ncc(n1)Cl)CCl AB76483 [0,1,0,0,0,1|2,0,0]=4 609 B10R1.25 Cc1c(ncc(n1)Cl)CN AB85686 [0,1,0,0,0,1|2,0,0]=4 610 B10R1.25 Cc1cc(c(cn1)CCl)Cl AB83327 [0,1,0,0,0,1|2,0,0]=4 611 B10R1.25 Cc1cc(c(cn1)CCl)F AB83045 [0,1,0,0,0,1|2,0,0]=4 612 B10R1.25 Cc1cc(c(cn1)CN)Br AB68171 [0,1,0,0,0,1|2,0,0]=4 613 B10R1.25 Cc1cc(c(cn1)CN)Cl AB68154 [0,1,0,0,0,1|2,0,0]=4 614 B10R1.25 Cc1cc(c(cn1)CN)F AB83048 [0,1,0,0,0,1|2,0,0]=4 615 B10R1.25 Cc1cc(c(nc1)C#N)C AB22974 [0,1,0,0,0,1|1,0,1]=4 616 B10R1.25 Cc1cc(c(nc1)C=O)C AB53525 [0,1,0,0,0,1|1,0,1]=4 617 B10R1.25 Cc1cc(c(nc1)CCl)C AB44395 [0,1,0,0,0,1|1,0,0]=3 618 B10R1.25 Cc1cc(c(nc1)CCl)Cl AB75094 [0,1,0,0,0,1|2,0,0]=4 619 B10R1.25 Cc1cc(c(nc1)CCl)F AB76356 [0,1,0,0,0,1|2,0,0]=4 620 B10R1.25 Cc1cc(c(nc1)CN)C AB53521 [0,1,0,0,0,1|1,0,0]=3 621 B10R1.25 Cc1cc(c(nc1)CN)Cl AB75093 [0,1,0,0,0,1|2,0,0]=4 622 B10R1.25 Cc1cc(c(nc1)CN)F AB75165 [0,1,0,0,0,1|2,0,0]=4 623 B10R1.25 Cc1cc(c(nc1)CO)C AB53524 [0,1,0,0,0,1|1,0,0]=3 624 B10R1.25 Cc1cc(c(nc1)OC)N AB66728 [0,1,0,0,0,1|2,0,0]=4 625 B10R1.25 Cc1cc(cnc1CCl)Cl AB75121 [0,1,0,0,0,1|2,0,0]=4 626 B10R1.25 Cc1cc(cnc1CCl)F AB74796 [0,1,0,0,0,1|2,0,0]=4 627 B10R1.25 Cc1cc(cnc1CN)Br AB41237 [0,1,0,0,0,1|2,0,0]=4 628 B10R1.25 Cc1cc(cnc1CN)Cl AB75120 [0,1,0,0,0,1|2,0,0]=4 629 B10R1.25 Cc1cc(cnc1CN)F AB41242 [0,1,0,0,0,1|2,0,0]=4 630 B10R1.25 Cc1cc(cnc1OC)Br AB41223 [0,1,0,0,0,1|2,0,0]=4 631 B10R1.25 Cc1cc(cnc1OC)Cl AB75754 [0,1,0,0,0,1|2,0,0]=4 632 B10R1.25 Cc1cc(cnc1OC)N AB20996 [0,1,0,0,0,1|2,0,0]=4 633 B10R1.25 Cc1cc(ncc1C=O)C AB74124 [0,1,0,0,0,1|1,0,1]=4 634 B10R1.25 Cc1cc(ncc1CCl)C AB75393 [0,1,0,0,0,1|1,0,0]=3 635 B10R1.25 Cc1cc(ncc1CCl)Cl AB74566 [0,1,0,0,0,1|2,0,0]=4 636 B10R1.25 Cc1cc(ncc1CCl)F AB76758 [0,1,0,0,0,1|2,0,0]=4 637 B10R1.25 Cc1cc(ncc1CCl)N AB76224 [0,1,0,0,0,1|2,0,0]=4 638 B10R1.25 Cc1cc(ncc1CN)C AB62611 [0,1,0,0,0,1|1,0,0]=3 639 B10R1.25 Cc1cc(ncc1CN)Cl AB74564 [0,1,0,0,0,1|2,0,0]=4 640 B10R1.25 Cc1cc(ncc1CN)F AB83068 [0,1,0,0,0,1|2,0,0]=4 641 B10R1.25 Cc1ccc(c(n1)Br)CN AB68158 [0,1,0,0,0,1|2,0,0]=4 642 B10R1.25 Cc1ccc(c(n1)Br)OC AB25427 [0,1,0,0,0,1|2,0,0]=4 643 B10R1.25 Cc1ccc(c(n1)C)C=O AB13970 [0,1,0,0,0,1|1,0,1]=4 644 B10R1.25 Cc1ccc(c(n1)Cl)CN AB23323 [0,1,0,0,0,1|2,0,0]=4 645 B10R1.25 Cc1ccc(c(n1)N)CCl AB76121 [0,1,0,0,0,1|2,0,0]=4 646 B10R1.25 Cc1cnc(c(n1)C)C=O AB73104 [0,1,0,0,0,1|1,0,1]=4 647 B10R1.25 Cc1cnc(c(n1)C)CN AB73102 [0,1,0,0,0,1|1,0,0]=3 648 B10R1.25 Cc1ncc(c(n1)N)CBr AB06102 [0,1,0,0,0,1|2,0,0]=4 649 B10R1.25 Cc1ncc(c(n1)N)CCl AB06249 [0,1,0,0,0,1|2,0,0]=4 650 B10R1.25 Cc1ncc(c(n1)N)CN AB03020 [0,1,0,0,0,1|2,0,0]=4 651 B10R1.25 Cc1ncc(c(n1)O)CO AB48547 [0,1,0,0,0,1|2,0,0]=4 652 B10R1.30 Cc1c(cc(cn1)Cl)CN AB62431 [0,1,0,0,0,1|2,0,0]=4 653 B10R1.30 Cc1cc(c(cn1)Br)CN AB68167 [0,1,0,0,0,1|2,0,0]=4 654 B10R1.30 Cc1cc(c(cn1)Br)OC AB40816 [0,1,0,0,0,1|2,0,0]=4 655 B10R1.30 Cc1cc(c(cn1)C)C=O AB74126 [0,1,0,0,0,1|1,0,1]=4 656 B10R1.30 Cc1cc(c(cn1)C)CCl AB75401 [0,1,0,0,0,1|1,0,0]=3 657 B10R1.30 Cc1cc(c(cn1)C)CN AB76782 [0,1,0,0,0,1|1,0,0]=3 658 B10R1.30 Cc1cc(c(cn1)Cl)CN AB68151 [0,1,0,0,0,1|2,0,0]=4 659 B10R1.30 Cc1cc(c(nc1)Br)CCl AB71047 [0,1,0,0,0,1|2,0,0]=4 660 B10R1.30 Cc1cc(c(nc1)C)C=O AB71657 [0,1,0,0,0,1|1,0,1]=4 661 B10R1.30 Cc1cc(c(nc1)C)CCl AB75394 [0,1,0,0,0,1|1,0,0]=3 662 B10R1.30 Cc1cc(c(nc1)C)CN AB76781 [0,1,0,0,0,1|1,0,0]=3 663 B10R1.30 Cc1cc(c(nc1)Cl)CCl AB71113 [0,1,0,0,0,1|2,0,0]=4 664 B10R1.30 Cc1cc(c(nc1)Cl)CN AB41819 [0,1,0,0,0,1|2,0,0]=4 665 B10R1.30 Cc1cc(c(nc1)F)CCl AB71237 [0,1,0,0,0,1|2,0,0]=4 666 B10R1.30 Cc1cc(c(nc1)F)CN AB65158 [0,1,0,0,0,1|2,0,0]=4 667 B10R1.30 Cc1cc(c(nc1)N)CCl AB70870 [0,1,0,0,0,1|2,0,0]=4 668 B10R1.30 Cc1cc(c(nn1)O)CN PB23030 [0,1,0,0,0,1|2,0,0]=4 669 B10R1.30 Cc1ccc(c(n1)CN)Br AB68170 [0,1,0,0,0,1|2,0,0]=4 670 B10R1.30 Cc1ccc(c(n1)CN)Cl AB68153 [0,1,0,0,0,1|2,0,0]=4 671 B10R1.30 Cc1ccc(nc1C#N)C AB25377 [0,1,0,0,0,1|1,0,1]=4 672 B10R1.30 Cc1ccc(nc1C=O)C AB75403 [0,1,0,0,0,1|1,0,1]=4 673 B10R1.30 Cc1ccc(nc1CCl)C AB75390 [0,1,0,0,0,1|1,0,0]=3 674 B10R1.30 Cc1ccc(nc1CCl)Cl AB75115 [0,1,0,0,0,1|2,0,0]=4 675 B10R1.30 Cc1ccc(nc1CCl)F AB82887 [0,1,0,0,0,1|2,0,0]=4 676 B10R1.30 Cc1ccc(nc1CN)C AB65466 [0,1,0,0,0,1|1,0,0]=3 677 B10R1.30 Cc1ccc(nc1CN)Cl AB75112 [0,1,0,0,0,1|2,0,0]=4 678 B10R1.30 Cc1ccc(nc1CN)F AB82890 [0,1,0,0,0,1|2,0,0]=4 679 B10R1.30 Cc1cnc(c(n1)C=O)C AB77040 [0,1,0,0,0,1|1,0,1]=4 680 B10R1.30 Cc1cnc(c(n1)CCl)C AB76280 [0,1,0,0,0,1|1,0,0]=3 681 B10R1.30 Cc1cnc(c(n1)CN)C AB77043 [0,1,0,0,0,1|1,0,0]=3 682 B10R1.30 Cc1cnc(cc1CCl)Cl AB71119 [0,1,0,0,0,1|2,0,0]=4 683 B10R1.30 Cc1cnc(cc1CCl)F AB71241 [0,1,0,0,0,1|2,0,0]=4 684 B10R1.30 Cc1cnc(cc1CN)Cl AB75278 [0,1,0,0,0,1|2,0,0]=4 685 B10R1.30 Cc1cnc(cc1CN)F AB82870 [0,1,0,0,0,1|2,0,0]=4 686 B10R1.118 Cc1c(nc(c(n1)Cl)C)Cl AB44019 [0,1,0,0,0,1|2,0,0]=4 687 B10R1.118 Cc1c(nc(c(n1)N)Br)C AB53115 [0,1,0,0,0,1|2,0,0]=4 688 B10R1.118 Cc1c(nc(c(n1)O)C)O AB44017 [0,1,0,0,0,1|2,0,0]=4 689 B10R1.118 Cc1cc(c(nc1C)N)N AB66679 [0,1,0,0,0,1|2,0,0]=4 690 B10R1.176 Cc1c(cc(cn1)CCl)Cl AB74647 [0,1,0,0,0,1|2,0,0]=4 691 B10R1.176 Cc1c(cc(cn1)CCl)F AB76305 [0,1,0,0,0,1|2,0,0]=4 692 B10R1.176 Cc1c(cc(cn1)CN)Cl AB74649 [0,1,0,0,0,1|2,0,0]=4 693 B10R1.176 Cc1c(cc(cn1)CN)F AB76308 [0,1,0,0,0,1|2,0,0]=4 694 B10R1.176 Cc1c(cc(cn1)OC)N AB73554 [0,1,0,0,0,1|2,0,0]=4 695 B10R1.176 Cc1c(ccc(n1)CCl)Cl AB83321 [0,1,0,0,0,1|2,0,0]=4 696 B10R1.176 Cc1c(ccc(n1)CCl)F AB83035 [0,1,0,0,0,1|2,0,0]=4 697 B10R1.176 Cc1c(ccc(n1)CN)Cl AB75079 [0,1,0,0,0,1|2,0,0]=4 698 B10R1.176 Cc1c(ccc(n1)CN)F AB75158 [0,1,0,0,0,1|2,0,0]=4 699 B10R1.176 Cc1c(ccc(n1)OC)Br AB13393 [0,1,0,0,0,1|2,0,0]=4 700 B10R1.176 Cc1c(nc(cn1)C=O)C AB77048 [0,1,0,0,0,1|1,0,1]=4 701 B10R1.176 Cc1c(nc(cn1)CCl)C AB76287 [0,1,0,0,0,1|1,0,0]=3 702 B10R1.176 Cc1c(nc(cn1)CN)C AB77049 [0,1,0,0,0,1|1,0,0]=3 703 B10R1.176 Cc1c(ncc(n1)CCl)Cl AB72511 [0,1,0,0,0,1|2,0,0]=4 704 B10R1.176 Cc1c(ncc(n1)CN)Cl AB72510 [0,1,0,0,0,1|2,0,0]=4 705 B10R1.176 Cc1c(ncc(n1)OC)Br AB85658 [0,1,0,0,0,1|2,0,0]=4 706 B10R1.176 Cc1c(ncc(n1)OC)Cl AB85661 [0,1,0,0,0,1|2,0,0]=4 707 B10R1.176 Cc1cc(cnc1Br)OC AB74660 [0,1,0,0,0,1|2,0,0]=4 708 B10R1.176 Cc1cc(cnc1C)C=O AB75407 [0,1,0,0,0,1|1,0,1]=4 709 B10R1.176 Cc1cc(cnc1C)CCl AB75391 [0,1,0,0,0,1|1,0,0]=3 710 B10R1.176 Cc1cc(cnc1C)CN AB70585 [0,1,0,0,0,1|1,0,0]=3 711 B10R1.176 Cc1cc(cnc1C)OC AB85300 [0,1,0,0,0,1|1,0,0]=3 712 B10R1.176 Cc1cc(cnc1Cl)CCl AB50053 [0,1,0,0,0,1|2,0,0]=4 713 B10R1.176 Cc1cc(cnc1Cl)CN AB74569 [0,1,0,0,0,1|2,0,0]=4 714 B10R1.176 Cc1cc(cnc1Cl)OC AB71233 [0,1,0,0,0,1|2,0,0]=4 715 B10R1.176 Cc1cc(cnc1F)CCl AB64242 [0,1,0,0,0,1|2,0,0]=4 716 B10R1.176 Cc1cc(cnc1F)CN AB83087 [0,1,0,0,0,1|2,0,0]=4 717 B10R1.176 Cc1cc(cnc1N)OC AB73557 [0,1,0,0,0,1|2,0,0]=4 718 B10R1.176 Cc1cc(ncc1Br)CN AB41153 [0,1,0,0,0,1|2,0,0]=4 719 B10R1.176 Cc1cc(ncc1Br)NC AB41168 [0,1,0,0,0,1|2,0,0]=4 720 B10R1.176 Cc1cc(ncc1Br)OC AB17469 [0,1,0,0,0,1|2,0,0]=4 721 B10R1.176 Cc1cc(ncc1C)C=O AB74125 [0,1,0,0,0,1|1,0,1]=4 722 B10R1.176 Cc1cc(ncc1C)CCl AB64952 [0,1,0,0,0,1|1,0,0]=3 723 B10R1.176 Cc1cc(ncc1C)CN AB65468 [0,1,0,0,0,1|1,0,0]=3 724 B10R1.176 Cc1cc(ncc1Cl)CCl AB75108 [0,1,0,0,0,1|2,0,0]=4 725 B10R1.176 Cc1cc(ncc1Cl)CN AB41152 [0,1,0,0,0,1|2,0,0]=4 726 B10R1.176 Cc1cc(ncc1Cl)NC AB41164 [0,1,0,0,0,1|2,0,0]=4 727 B10R1.176 Cc1cc(ncc1F)CCl AB84689 [0,1,0,0,0,1|2,0,0]=4 728 B10R1.176 Cc1cc(ncc1F)CN AB74877 [0,1,0,0,0,1|2,0,0]=4 729 B10R1.176 Cc1cc(ncc1N)OC AB44888 [0,1,0,0,0,1|2,0,0]=4 730 B10R1.176 Cc1ccc(nc1C)C=O AB74104 [0,1,0,0,0,1|1,0,1]=4 731 B10R1.176 Cc1ccc(nc1C)CCl AB64955 [0,1,0,0,0,1|1,0,0]=3 732 B10R1.176 Cc1ccc(nc1C)CN AB65463 [0,1,0,0,0,1|1,0,0]=3 733 B10R1.176 Cc1ccc(nc1Cl)CCl AB75101 [0,1,0,0,0,1|2,0,0]=4 734 B10R1.176 Cc1ccc(nc1Cl)CN AB75099 [0,1,0,0,0,1|2,0,0]=4 735 B10R1.176 Cc1ccc(nc1F)CCl AB72849 [0,1,0,0,0,1|2,0,0]=4 736 B10R1.176 Cc1ccc(nc1F)CN AB72850 [0,1,0,0,0,1|2,0,0]=4 737 B10R1.176 Cc1ccc(nc1N)OC AB73563 [0,1,0,0,0,1|2,0,0]=4 738 B10R1.176 Cc1cnc(cc1Br)CCl AB70165 [0,1,0,0,0,1|2,0,0]=4 739 B10R1.176 Cc1cnc(cc1Br)CN AB70168 [0,1,0,0,0,1|2,0,0]=4 740 B10R1.176 Cc1cnc(cc1Cl)CCl AB70036 [0,1,0,0,0,1|2,0,0]=4 741 B10R1.176 Cc1cnc(cc1Cl)CN AB70034 [0,1,0,0,0,1|2,0,0]=4 742 B10R1.176 Cc1cnc(cc1F)CCl AB82954 [0,1,0,0,0,1|2,0,0]=4 743 B10R1.176 Cc1cnc(cc1F)CN AB82957 [0,1,0,0,0,1|2,0,0]=4 744 B10R1.176 Cc1cnc(cc1N)OC AB73589 [0,1,0,0,0,1|2,0,0]=4 745 B10R1.176 Cc1cnc(nc1Cl)CN AB62662 [0,1,0,0,0,1|2,0,0]=4 746 B10R1.35 CCc1[nH]c(c(n1)CO)Cl AB27195 [0,2,0,0,0,0|2,0,0]=4 747 B10R1.35 CCc1nc(c(o1)C)CO AB63453 [0,2,0,0,0,0|0,0,0]=2 748 B10R1.35 CCc1nc(c(s1)C)CO AB63457 [0,2,0,0,0,0|0,1,0]=3 749 B10R1.59 CC1=C(N=C(C1)C)C(=O)O AB12161 [0,2,0,0,0,0|1,0,1]=4 750 B10R1.59 Cc1c(cn(n1)C)C(=O)C AB06270 [0,2,0,0,0,0|2,0,0]=4 751 B10R1.59 Cc1cc(c(o1)C)C(=O)O AB03078 [0,2,0,0,0,0|1,0,1]=4 752 B10R1.59 Cc1cc(n(n1)C)C(=O)C AB20875 [0,2,0,0,0,0|2,0,0]=4 753 B10R1.130 Cc1c(cn(n1)C)CCN AB45472 [0,2,0,0,0,0|2,0,0]=4 754 B10R1.130 Cc1cc(n(n1)C)CCN AB45436 [0,2,0,0,0,0|2,0,0]=4 755 B10R1.130 Cc1cc(n(n1)CCN)C AB20872 [0,2,0,0,0,0|2,0,0]=4 756 B10R1.256 Cc1c(c(n(n1)C)Cl)CCl AB48735 [0,2,0,0,0,0|2,0,0]=4 757 B8R1.4 Cc1cccc(n1)O AB00679 [0,0,1,1,0,0|0,0,2]=4 758 B8R1.5 Cc1c(cccn1)O PB18442 [0,0,1,1,0,0|0,0,2]=4 759 B8R1.5 Cc1c(nccn1)O PB12942 [0,0,1,1,0,0|1,0,1]=4 760 B10R2.2 C1Cc2c(oc(n2)N)C1 AB44260 [0,1,0,1,0,0|1,0,0]=3 761 B10R2.2 C1Cc2c(sc(n2)N)C1 AB01558 [0,1,0,1,0,0|1,1,0]=4 762 B10R2.2 Cc1[nH]c2c(n1)CNC2 AB27313 [0,1,0,1,0,0|1,0,0]=3 763 B10R2.2 Cc1nc2c(o1)CNC2 AB27318 [0,1,0,1,0,0|0,0,0]=2 764 B10R2.2 Cc1nc2c(s1)CNC2 AB27315 [0,1,0,1,0,0|0,1,0]=3 765 B8R1.3 Cc1ccc(=O)[nH]n1 PB21643 [1,0,0,0,0,1|2,0,0]=4 766 B8R1.3 Cc1ccc(cn1)Br AB06624 [1,0,0,0,0,1|2,0,0]=4 767 B8R1.3 Cc1ccc(cn1)Cl AB17956 [1,0,0,0,0,1|2,0,0]=4 768 B8R1.3 Cc1ccc(cn1)F PB18589 [1,0,0,0,0,1|2,0,0]=4 769 B8R1.3 Cc1ccc(cn1)N PB32227 [1,0,0,0,0,1|2,0,0]=4 770 B8R1.3 Cc1ccc(cn1)O PB30543 [1,0,0,0,0,1|2,0,0]=4 771 B8R1.3 Cc1ccc(nc1)Br PB17145 [1,0,0,0,0,1|2,0,0]=4 772 B8R1.3 Cc1ccc(nc1)Cl AB07104 [1,0,0,0,0,1|2,0,0]=4 773 B8R1.3 Cc1ccc(nc1)F AB01857 [1,0,0,0,0,1|2,0,0]=4 774 B8R1.3 Cc1ccc(nc1)N AB17938 [1,0,0,0,0,1|2,0,0]=4 775 B8R1.3 Cc1ccc(nc1)O AB13138 [1,0,0,0,0,1|2,0,0]=4 776 B8R1.3 Cc1ccc(nn1)Br PB26503 [1,0,0,0,0,1|2,0,0]=4 777 B8R1.3 Cc1ccc(nn1)Cl PB20885 [1,0,0,0,0,1|2,0,0]=4 778 B8R1.3 Cc1ccc(nn1)I PB11607 [1,0,0,0,0,1|2,0,0]=4 779 B8R1.3 Cc1ccc(nn1)N PB33947 [1,0,0,0,0,1|2,0,0]=4 780 B8R1.3 Cc1cnc(cn1)Br PB27954 [1,0,0,0,0,1|2,0,0]=4 781 B8R1.3 Cc1cnc(cn1)Cl AB02272 [1,0,0,0,0,1|2,0,0]=4 782 B8R1.3 Cc1cnc(cn1)N PB32613 [1,0,0,0,0,1|2,0,0]=4 783 B8R1.3 Cc1cnc(nc1)Cl PB25116 [1,0,0,0,0,1|2,0,0]=4 784 B8R1.3 Cc1cnc(nc1)N AB06143 [1,0,0,0,0,1|2,0,0]=4 785 B8R1.3 Cc1ncc(cn1)Br PB18804 [1,0,0,0,0,1|2,0,0]=4 786 B8R1.3 Cc1ncc(cn1)Cl AB56396 [1,0,0,0,0,1|2,0,0]=4 787 B8R1.3 Cc1ncc(cn1)N PB10666 [1,0,0,0,0,1|2,0,0]=4 788 B8R1.3 Cc1ncc(cn1)O AB54467 [1,0,0,0,0,1|2,0,0]=4